USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=5 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= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.138 USER MOD Single : A 50 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.042) USER MOD Single : A 51 THR OG1 : rot 99:sc= 0.367 USER MOD Single : A 57 ASN : amide:sc= -2.82! C(o=-2.8!,f=-2.6!) USER MOD Single : A 60 CYS SG : rot -160:sc= -0.292 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 70 SER OG : rot -64:sc= 0.0437 USER MOD Single : A 71 GLN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 22 10.030 8.588 4.843 1.00 0.00 N ATOM 230 CA VAL A 22 8.567 8.743 5.071 1.00 0.00 C ATOM 231 C VAL A 22 7.797 8.000 3.976 1.00 0.00 C ATOM 232 O VAL A 22 8.376 7.455 3.058 1.00 0.00 O ATOM 233 CB VAL A 22 8.198 10.227 5.035 1.00 0.00 C ATOM 234 CG1 VAL A 22 6.870 10.441 5.761 1.00 0.00 C ATOM 235 CG2 VAL A 22 9.294 11.040 5.728 1.00 0.00 C ATOM 0 HA VAL A 22 8.307 8.327 6.044 1.00 0.00 H new ATOM 0 HB VAL A 22 8.102 10.553 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.607 11.499 5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.089 9.861 5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.965 10.116 6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.033 12.098 5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.389 10.714 6.764 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.242 10.888 5.211 1.00 0.00 H new ATOM 245 N VAL A 23 6.496 7.975 4.067 1.00 0.00 N ATOM 246 CA VAL A 23 5.690 7.270 3.032 1.00 0.00 C ATOM 247 C VAL A 23 5.024 8.299 2.120 1.00 0.00 C ATOM 248 O VAL A 23 4.502 9.300 2.572 1.00 0.00 O ATOM 249 CB VAL A 23 4.617 6.421 3.714 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.605 7.336 4.406 1.00 0.00 C ATOM 251 CG2 VAL A 23 3.898 5.569 2.665 1.00 0.00 C ATOM 0 H VAL A 23 5.956 8.413 4.814 1.00 0.00 H new ATOM 0 HA VAL A 23 6.340 6.626 2.439 1.00 0.00 H new ATOM 0 HB VAL A 23 5.085 5.771 4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.840 6.731 4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.115 7.944 5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.137 7.986 3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.133 4.963 3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.431 6.220 1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.618 4.916 2.171 1.00 0.00 H new ATOM 261 N GLU A 24 5.038 8.066 0.836 1.00 0.00 N ATOM 262 CA GLU A 24 4.406 9.034 -0.103 1.00 0.00 C ATOM 263 C GLU A 24 2.961 8.613 -0.376 1.00 0.00 C ATOM 264 O GLU A 24 2.089 9.438 -0.564 1.00 0.00 O ATOM 265 CB GLU A 24 5.189 9.053 -1.417 1.00 0.00 C ATOM 266 CG GLU A 24 4.942 10.378 -2.141 1.00 0.00 C ATOM 267 CD GLU A 24 6.270 10.926 -2.668 1.00 0.00 C ATOM 268 OE1 GLU A 24 7.035 10.149 -3.214 1.00 0.00 O ATOM 269 OE2 GLU A 24 6.498 12.116 -2.518 1.00 0.00 O ATOM 0 H GLU A 24 5.460 7.247 0.397 1.00 0.00 H new ATOM 0 HA GLU A 24 4.415 10.029 0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.254 8.927 -1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.881 8.219 -2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.245 10.230 -2.965 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.484 11.096 -1.461 1.00 0.00 H new ATOM 276 N LYS A 25 2.700 7.335 -0.402 1.00 0.00 N ATOM 277 CA LYS A 25 1.314 6.863 -0.665 1.00 0.00 C ATOM 278 C LYS A 25 1.340 5.357 -0.921 1.00 0.00 C ATOM 279 O LYS A 25 2.335 4.698 -0.691 1.00 0.00 O ATOM 280 CB LYS A 25 0.754 7.583 -1.894 1.00 0.00 C ATOM 281 CG LYS A 25 1.881 7.829 -2.899 1.00 0.00 C ATOM 282 CD LYS A 25 1.382 7.524 -4.313 1.00 0.00 C ATOM 283 CE LYS A 25 2.313 8.178 -5.334 1.00 0.00 C ATOM 284 NZ LYS A 25 2.352 7.351 -6.574 1.00 0.00 N ATOM 0 H LYS A 25 3.388 6.597 -0.252 1.00 0.00 H new ATOM 0 HA LYS A 25 0.682 7.078 0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.032 6.984 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.302 8.530 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.218 8.864 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.738 7.199 -2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.348 6.446 -4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.366 7.897 -4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.965 9.185 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.316 8.275 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.985 7.796 -7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.703 6.399 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.395 7.280 -6.974 1.00 0.00 H new ATOM 298 N VAL A 26 0.261 4.806 -1.396 1.00 0.00 N ATOM 299 CA VAL A 26 0.235 3.342 -1.665 1.00 0.00 C ATOM 300 C VAL A 26 0.211 3.103 -3.175 1.00 0.00 C ATOM 301 O VAL A 26 -0.633 3.618 -3.883 1.00 0.00 O ATOM 302 CB VAL A 26 -1.010 2.730 -1.027 1.00 0.00 C ATOM 303 CG1 VAL A 26 -1.040 1.232 -1.316 1.00 0.00 C ATOM 304 CG2 VAL A 26 -0.967 2.951 0.486 1.00 0.00 C ATOM 0 H VAL A 26 -0.603 5.304 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 26 1.124 2.876 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.901 3.202 -1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.928 0.792 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.065 1.070 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.149 0.763 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.855 2.515 0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.077 2.476 0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.939 4.020 0.697 1.00 0.00 H new ATOM 314 N LEU A 27 1.132 2.325 -3.675 1.00 0.00 N ATOM 315 CA LEU A 27 1.165 2.056 -5.140 1.00 0.00 C ATOM 316 C LEU A 27 0.377 0.780 -5.446 1.00 0.00 C ATOM 317 O LEU A 27 -0.368 0.716 -6.403 1.00 0.00 O ATOM 318 CB LEU A 27 2.616 1.879 -5.593 1.00 0.00 C ATOM 319 CG LEU A 27 3.091 3.152 -6.294 1.00 0.00 C ATOM 320 CD1 LEU A 27 4.343 3.685 -5.594 1.00 0.00 C ATOM 321 CD2 LEU A 27 3.422 2.834 -7.755 1.00 0.00 C ATOM 0 H LEU A 27 1.863 1.864 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 27 0.716 2.895 -5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.253 1.665 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.696 1.028 -6.269 1.00 0.00 H new ATOM 0 HG LEU A 27 2.304 3.905 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.681 4.592 -6.094 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.110 3.910 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.131 2.933 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.761 3.740 -8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.210 2.081 -7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.531 2.454 -8.255 1.00 0.00 H new ATOM 333 N ASP A 28 0.536 -0.236 -4.643 1.00 0.00 N ATOM 334 CA ASP A 28 -0.208 -1.503 -4.896 1.00 0.00 C ATOM 335 C ASP A 28 0.007 -2.467 -3.728 1.00 0.00 C ATOM 336 O ASP A 28 0.727 -2.177 -2.794 1.00 0.00 O ATOM 337 CB ASP A 28 0.307 -2.145 -6.187 1.00 0.00 C ATOM 338 CG ASP A 28 -0.654 -1.827 -7.334 1.00 0.00 C ATOM 339 OD1 ASP A 28 -1.691 -2.465 -7.405 1.00 0.00 O ATOM 340 OD2 ASP A 28 -0.335 -0.953 -8.122 1.00 0.00 O ATOM 0 H ASP A 28 1.146 -0.244 -3.826 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.272 -1.285 -4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.304 -1.770 -6.419 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.394 -3.224 -6.060 1.00 0.00 H new ATOM 345 N ARG A 29 -0.613 -3.614 -3.775 1.00 0.00 N ATOM 346 CA ARG A 29 -0.446 -4.600 -2.670 1.00 0.00 C ATOM 347 C ARG A 29 -0.260 -5.999 -3.259 1.00 0.00 C ATOM 348 O ARG A 29 -0.684 -6.280 -4.363 1.00 0.00 O ATOM 349 CB ARG A 29 -1.690 -4.583 -1.779 1.00 0.00 C ATOM 350 CG ARG A 29 -2.887 -5.124 -2.564 1.00 0.00 C ATOM 351 CD ARG A 29 -3.070 -6.612 -2.258 1.00 0.00 C ATOM 352 NE ARG A 29 -3.780 -6.767 -0.956 1.00 0.00 N ATOM 353 CZ ARG A 29 -5.063 -7.002 -0.937 1.00 0.00 C ATOM 354 NH1 ARG A 29 -5.533 -8.107 -1.448 1.00 0.00 N ATOM 355 NH2 ARG A 29 -5.878 -6.132 -0.405 1.00 0.00 N ATOM 0 H ARG A 29 -1.229 -3.911 -4.532 1.00 0.00 H new ATOM 0 HA ARG A 29 0.430 -4.336 -2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.521 -5.189 -0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.893 -3.567 -1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.789 -4.574 -2.297 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.730 -4.979 -3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.640 -7.091 -3.054 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.100 -7.108 -2.217 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.263 -6.689 -0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.897 -8.788 -1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.536 -8.290 -1.433 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.512 -5.269 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.881 -6.316 -0.390 1.00 0.00 H new ATOM 369 N ARG A 30 0.371 -6.880 -2.532 1.00 0.00 N ATOM 370 CA ARG A 30 0.583 -8.260 -3.051 1.00 0.00 C ATOM 371 C ARG A 30 0.689 -9.234 -1.876 1.00 0.00 C ATOM 372 O ARG A 30 1.392 -8.988 -0.915 1.00 0.00 O ATOM 373 CB ARG A 30 1.875 -8.304 -3.870 1.00 0.00 C ATOM 374 CG ARG A 30 2.235 -9.758 -4.181 1.00 0.00 C ATOM 375 CD ARG A 30 3.606 -9.812 -4.858 1.00 0.00 C ATOM 376 NE ARG A 30 4.512 -10.700 -4.076 1.00 0.00 N ATOM 377 CZ ARG A 30 4.642 -11.955 -4.410 1.00 0.00 C ATOM 378 NH1 ARG A 30 5.456 -12.293 -5.373 1.00 0.00 N ATOM 379 NH2 ARG A 30 3.961 -12.872 -3.780 1.00 0.00 N ATOM 0 H ARG A 30 0.749 -6.703 -1.601 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.257 -8.544 -3.684 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.750 -7.743 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.685 -7.828 -3.317 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.248 -10.345 -3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.479 -10.200 -4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.506 -10.184 -5.878 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.030 -8.810 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 30 5.030 -10.327 -3.280 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.990 -11.576 -5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.558 -13.274 -5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.327 -12.608 -3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.063 -13.853 -4.041 1.00 0.00 H new ATOM 393 N VAL A 31 -0.005 -10.337 -1.941 1.00 0.00 N ATOM 394 CA VAL A 31 0.057 -11.321 -0.824 1.00 0.00 C ATOM 395 C VAL A 31 1.084 -12.408 -1.155 1.00 0.00 C ATOM 396 O VAL A 31 1.363 -12.688 -2.303 1.00 0.00 O ATOM 397 CB VAL A 31 -1.325 -11.956 -0.625 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.195 -13.250 0.183 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.223 -10.979 0.133 1.00 0.00 C ATOM 0 H VAL A 31 -0.611 -10.599 -2.718 1.00 0.00 H new ATOM 0 HA VAL A 31 0.355 -10.813 0.093 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.759 -12.183 -1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.181 -13.694 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.553 -13.950 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.759 -13.028 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.207 -11.426 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.780 -10.756 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.323 -10.057 -0.440 1.00 0.00 H new ATOM 409 N VAL A 32 1.642 -13.022 -0.148 1.00 0.00 N ATOM 410 CA VAL A 32 2.646 -14.094 -0.386 1.00 0.00 C ATOM 411 C VAL A 32 2.074 -15.428 0.091 1.00 0.00 C ATOM 412 O VAL A 32 2.313 -16.466 -0.492 1.00 0.00 O ATOM 413 CB VAL A 32 3.917 -13.778 0.403 1.00 0.00 C ATOM 414 CG1 VAL A 32 4.902 -14.941 0.273 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.557 -12.504 -0.150 1.00 0.00 C ATOM 0 H VAL A 32 1.444 -12.826 0.833 1.00 0.00 H new ATOM 0 HA VAL A 32 2.880 -14.152 -1.449 1.00 0.00 H new ATOM 0 HB VAL A 32 3.665 -13.632 1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.808 -14.715 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.447 -15.849 0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.154 -15.088 -0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.463 -12.278 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.809 -12.650 -1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.856 -11.675 -0.056 1.00 0.00 H new ATOM 425 N LYS A 33 1.320 -15.401 1.153 1.00 0.00 N ATOM 426 CA LYS A 33 0.725 -16.658 1.686 1.00 0.00 C ATOM 427 C LYS A 33 0.023 -16.354 3.010 1.00 0.00 C ATOM 428 O LYS A 33 0.010 -17.162 3.918 1.00 0.00 O ATOM 429 CB LYS A 33 1.835 -17.682 1.923 1.00 0.00 C ATOM 430 CG LYS A 33 2.975 -17.019 2.698 1.00 0.00 C ATOM 431 CD LYS A 33 3.894 -18.098 3.278 1.00 0.00 C ATOM 432 CE LYS A 33 4.382 -17.663 4.661 1.00 0.00 C ATOM 433 NZ LYS A 33 5.558 -18.491 5.054 1.00 0.00 N ATOM 0 H LYS A 33 1.089 -14.558 1.678 1.00 0.00 H new ATOM 0 HA LYS A 33 0.007 -17.060 0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.447 -18.534 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.202 -18.065 0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.541 -16.360 2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.572 -16.400 3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.360 -19.045 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.744 -18.261 2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.655 -16.608 4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.583 -17.776 5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.891 -18.197 5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.283 -19.494 5.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.321 -18.361 4.360 1.00 0.00 H new ATOM 447 N GLY A 34 -0.557 -15.191 3.129 1.00 0.00 N ATOM 448 CA GLY A 34 -1.252 -14.831 4.394 1.00 0.00 C ATOM 449 C GLY A 34 -0.518 -13.667 5.065 1.00 0.00 C ATOM 450 O GLY A 34 -0.862 -13.251 6.153 1.00 0.00 O ATOM 0 H GLY A 34 -0.579 -14.475 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.285 -14.553 4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.281 -15.691 5.063 1.00 0.00 H new ATOM 454 N LYS A 35 0.491 -13.136 4.425 1.00 0.00 N ATOM 455 CA LYS A 35 1.241 -12.001 5.033 1.00 0.00 C ATOM 456 C LYS A 35 0.630 -10.679 4.566 1.00 0.00 C ATOM 457 O LYS A 35 0.764 -9.660 5.214 1.00 0.00 O ATOM 458 CB LYS A 35 2.707 -12.068 4.601 1.00 0.00 C ATOM 459 CG LYS A 35 3.266 -13.459 4.903 1.00 0.00 C ATOM 460 CD LYS A 35 4.749 -13.348 5.260 1.00 0.00 C ATOM 461 CE LYS A 35 4.923 -13.476 6.774 1.00 0.00 C ATOM 462 NZ LYS A 35 6.366 -13.661 7.095 1.00 0.00 N ATOM 0 H LYS A 35 0.826 -13.439 3.511 1.00 0.00 H new ATOM 0 HA LYS A 35 1.180 -12.065 6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.793 -11.853 3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.287 -11.310 5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.716 -13.912 5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.137 -14.110 4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.315 -14.128 4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.145 -12.392 4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.540 -12.585 7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.345 -14.322 7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.484 -13.748 8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.717 -14.524 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.906 -12.841 6.753 1.00 0.00 H new ATOM 476 N VAL A 36 -0.040 -10.687 3.447 1.00 0.00 N ATOM 477 CA VAL A 36 -0.659 -9.430 2.939 1.00 0.00 C ATOM 478 C VAL A 36 0.339 -8.278 3.073 1.00 0.00 C ATOM 479 O VAL A 36 0.427 -7.635 4.100 1.00 0.00 O ATOM 480 CB VAL A 36 -1.915 -9.118 3.759 1.00 0.00 C ATOM 481 CG1 VAL A 36 -2.369 -7.684 3.476 1.00 0.00 C ATOM 482 CG2 VAL A 36 -3.030 -10.090 3.371 1.00 0.00 C ATOM 0 H VAL A 36 -0.186 -11.510 2.862 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.929 -9.553 1.890 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.691 -9.224 4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.263 -7.463 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.575 -6.990 3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.593 -7.576 2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.924 -9.869 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.253 -9.983 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.709 -11.112 3.573 1.00 0.00 H new ATOM 492 N GLU A 37 1.090 -8.010 2.039 1.00 0.00 N ATOM 493 CA GLU A 37 2.079 -6.897 2.106 1.00 0.00 C ATOM 494 C GLU A 37 1.514 -5.672 1.385 1.00 0.00 C ATOM 495 O GLU A 37 0.562 -5.767 0.635 1.00 0.00 O ATOM 496 CB GLU A 37 3.382 -7.331 1.430 1.00 0.00 C ATOM 497 CG GLU A 37 3.920 -8.587 2.118 1.00 0.00 C ATOM 498 CD GLU A 37 4.688 -8.190 3.380 1.00 0.00 C ATOM 499 OE1 GLU A 37 5.273 -7.119 3.381 1.00 0.00 O ATOM 500 OE2 GLU A 37 4.676 -8.963 4.324 1.00 0.00 O ATOM 0 H GLU A 37 1.061 -8.513 1.152 1.00 0.00 H new ATOM 0 HA GLU A 37 2.277 -6.647 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.207 -7.529 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.118 -6.529 1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.097 -9.254 2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.574 -9.134 1.439 1.00 0.00 H new ATOM 507 N TYR A 38 2.089 -4.521 1.604 1.00 0.00 N ATOM 508 CA TYR A 38 1.580 -3.295 0.930 1.00 0.00 C ATOM 509 C TYR A 38 2.754 -2.504 0.350 1.00 0.00 C ATOM 510 O TYR A 38 3.546 -1.932 1.070 1.00 0.00 O ATOM 511 CB TYR A 38 0.833 -2.425 1.944 1.00 0.00 C ATOM 512 CG TYR A 38 -0.445 -3.115 2.358 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.240 -3.755 1.397 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.838 -3.113 3.703 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.426 -4.393 1.781 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.024 -3.752 4.087 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.818 -4.392 3.127 1.00 0.00 C ATOM 518 OH TYR A 38 -3.986 -5.020 3.506 1.00 0.00 O ATOM 0 H TYR A 38 2.889 -4.378 2.220 1.00 0.00 H new ATOM 0 HA TYR A 38 0.902 -3.581 0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.461 -2.246 2.817 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.608 -1.452 1.508 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.938 -3.756 0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.227 -2.619 4.444 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.039 -4.886 1.040 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.326 -3.751 5.124 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.109 -4.926 4.474 1.00 0.00 H new ATOM 528 N LEU A 39 2.868 -2.465 -0.950 1.00 0.00 N ATOM 529 CA LEU A 39 3.990 -1.709 -1.575 1.00 0.00 C ATOM 530 C LEU A 39 3.664 -0.215 -1.559 1.00 0.00 C ATOM 531 O LEU A 39 2.587 0.200 -1.940 1.00 0.00 O ATOM 532 CB LEU A 39 4.177 -2.176 -3.019 1.00 0.00 C ATOM 533 CG LEU A 39 5.319 -1.389 -3.665 1.00 0.00 C ATOM 534 CD1 LEU A 39 5.875 -2.176 -4.852 1.00 0.00 C ATOM 535 CD2 LEU A 39 4.795 -0.037 -4.151 1.00 0.00 C ATOM 0 H LEU A 39 2.234 -2.923 -1.605 1.00 0.00 H new ATOM 0 HA LEU A 39 4.908 -1.888 -1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.398 -3.243 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.255 -2.029 -3.582 1.00 0.00 H new ATOM 0 HG LEU A 39 6.110 -1.231 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.688 -1.615 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.249 -3.140 -4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.084 -2.335 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.608 0.524 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.003 -0.196 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.399 0.525 -3.305 1.00 0.00 H new ATOM 547 N LEU A 40 4.585 0.599 -1.120 1.00 0.00 N ATOM 548 CA LEU A 40 4.325 2.065 -1.080 1.00 0.00 C ATOM 549 C LEU A 40 5.491 2.812 -1.731 1.00 0.00 C ATOM 550 O LEU A 40 6.554 2.263 -1.937 1.00 0.00 O ATOM 551 CB LEU A 40 4.180 2.517 0.375 1.00 0.00 C ATOM 552 CG LEU A 40 3.349 1.492 1.149 1.00 0.00 C ATOM 553 CD1 LEU A 40 4.269 0.650 2.033 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.329 2.222 2.025 1.00 0.00 C ATOM 0 H LEU A 40 5.506 0.312 -0.788 1.00 0.00 H new ATOM 0 HA LEU A 40 3.406 2.284 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.163 2.624 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.701 3.495 0.417 1.00 0.00 H new ATOM 0 HG LEU A 40 2.828 0.842 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.676 -0.080 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.997 0.130 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.791 1.299 2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.736 1.493 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.851 2.872 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.672 2.822 1.395 1.00 0.00 H new ATOM 566 N LYS A 41 5.298 4.061 -2.054 1.00 0.00 N ATOM 567 CA LYS A 41 6.396 4.843 -2.690 1.00 0.00 C ATOM 568 C LYS A 41 7.139 5.642 -1.617 1.00 0.00 C ATOM 569 O LYS A 41 6.829 6.787 -1.356 1.00 0.00 O ATOM 570 CB LYS A 41 5.804 5.805 -3.723 1.00 0.00 C ATOM 571 CG LYS A 41 6.749 5.914 -4.921 1.00 0.00 C ATOM 572 CD LYS A 41 7.030 7.388 -5.219 1.00 0.00 C ATOM 573 CE LYS A 41 7.260 7.571 -6.719 1.00 0.00 C ATOM 574 NZ LYS A 41 7.174 9.018 -7.063 1.00 0.00 N ATOM 0 H LYS A 41 4.429 4.574 -1.905 1.00 0.00 H new ATOM 0 HA LYS A 41 7.090 4.162 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.827 5.449 -4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.652 6.787 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.682 5.391 -4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.304 5.434 -5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.191 8.002 -4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.906 7.722 -4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.237 7.178 -6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.517 7.008 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.331 9.142 -8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.232 9.379 -6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.899 9.544 -6.535 1.00 0.00 H new ATOM 588 N TRP A 42 8.117 5.044 -0.992 1.00 0.00 N ATOM 589 CA TRP A 42 8.878 5.768 0.065 1.00 0.00 C ATOM 590 C TRP A 42 9.634 6.942 -0.561 1.00 0.00 C ATOM 591 O TRP A 42 10.263 6.808 -1.592 1.00 0.00 O ATOM 592 CB TRP A 42 9.875 4.811 0.721 1.00 0.00 C ATOM 593 CG TRP A 42 9.134 3.680 1.358 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.886 2.485 0.774 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.538 3.617 2.686 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.179 1.693 1.659 1.00 0.00 N ATOM 597 CE2 TRP A 42 7.939 2.346 2.852 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.461 4.533 3.754 1.00 0.00 C ATOM 599 CZ2 TRP A 42 7.286 1.995 4.034 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.804 4.182 4.946 1.00 0.00 C ATOM 601 CH2 TRP A 42 7.218 2.915 5.085 1.00 0.00 C ATOM 0 H TRP A 42 8.421 4.086 -1.168 1.00 0.00 H new ATOM 0 HA TRP A 42 8.185 6.144 0.818 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.573 4.429 -0.024 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.465 5.340 1.469 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.191 2.197 -0.221 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.872 0.742 1.456 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.909 5.511 3.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 6.836 1.019 4.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.750 4.891 5.759 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.715 2.650 6.003 1.00 0.00 H new ATOM 612 N LYS A 43 9.578 8.091 0.055 1.00 0.00 N ATOM 613 CA LYS A 43 10.294 9.271 -0.505 1.00 0.00 C ATOM 614 C LYS A 43 11.516 9.584 0.361 1.00 0.00 C ATOM 615 O LYS A 43 11.998 10.700 0.392 1.00 0.00 O ATOM 616 CB LYS A 43 9.355 10.479 -0.516 1.00 0.00 C ATOM 617 CG LYS A 43 8.875 10.767 0.909 1.00 0.00 C ATOM 618 CD LYS A 43 8.260 12.166 0.967 1.00 0.00 C ATOM 619 CE LYS A 43 8.785 12.904 2.201 1.00 0.00 C ATOM 620 NZ LYS A 43 8.222 14.283 2.231 1.00 0.00 N ATOM 0 H LYS A 43 9.068 8.263 0.921 1.00 0.00 H new ATOM 0 HA LYS A 43 10.616 9.051 -1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.871 11.350 -0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.502 10.284 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.140 10.022 1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.709 10.696 1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.510 12.722 0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.173 12.096 1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.505 12.366 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.874 12.945 2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.578 14.785 3.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.510 14.794 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.184 14.233 2.272 1.00 0.00 H new ATOM 634 N GLY A 44 12.024 8.608 1.063 1.00 0.00 N ATOM 635 CA GLY A 44 13.215 8.850 1.924 1.00 0.00 C ATOM 636 C GLY A 44 14.372 7.967 1.455 1.00 0.00 C ATOM 637 O GLY A 44 15.356 7.797 2.146 1.00 0.00 O ATOM 0 H GLY A 44 11.665 7.653 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.503 9.900 1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.975 8.631 2.965 1.00 0.00 H new ATOM 641 N PHE A 45 14.263 7.405 0.282 1.00 0.00 N ATOM 642 CA PHE A 45 15.356 6.534 -0.233 1.00 0.00 C ATOM 643 C PHE A 45 15.846 7.074 -1.578 1.00 0.00 C ATOM 644 O PHE A 45 16.896 7.679 -1.671 1.00 0.00 O ATOM 645 CB PHE A 45 14.829 5.110 -0.417 1.00 0.00 C ATOM 646 CG PHE A 45 14.395 4.556 0.918 1.00 0.00 C ATOM 647 CD1 PHE A 45 15.294 4.535 1.993 1.00 0.00 C ATOM 648 CD2 PHE A 45 13.094 4.063 1.084 1.00 0.00 C ATOM 649 CE1 PHE A 45 14.891 4.020 3.233 1.00 0.00 C ATOM 650 CE2 PHE A 45 12.691 3.548 2.323 1.00 0.00 C ATOM 651 CZ PHE A 45 13.589 3.527 3.398 1.00 0.00 C ATOM 0 H PHE A 45 13.463 7.512 -0.342 1.00 0.00 H new ATOM 0 HA PHE A 45 16.181 6.527 0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 45 13.990 5.109 -1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.604 4.478 -0.850 1.00 0.00 H new ATOM 0 HD1 PHE A 45 16.297 4.915 1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.401 4.080 0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.584 4.003 4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.688 3.167 2.449 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.278 3.131 4.354 1.00 0.00 H new ATOM 661 N SER A 46 15.093 6.859 -2.622 1.00 0.00 N ATOM 662 CA SER A 46 15.515 7.359 -3.961 1.00 0.00 C ATOM 663 C SER A 46 14.293 7.885 -4.716 1.00 0.00 C ATOM 664 O SER A 46 14.285 7.964 -5.929 1.00 0.00 O ATOM 665 CB SER A 46 16.152 6.218 -4.755 1.00 0.00 C ATOM 666 OG SER A 46 15.154 5.578 -5.540 1.00 0.00 O ATOM 0 H SER A 46 14.204 6.359 -2.606 1.00 0.00 H new ATOM 0 HA SER A 46 16.240 8.163 -3.836 1.00 0.00 H new ATOM 0 HB2 SER A 46 16.944 6.604 -5.397 1.00 0.00 H new ATOM 0 HB3 SER A 46 16.613 5.500 -4.076 1.00 0.00 H new ATOM 0 HG SER A 46 15.559 4.847 -6.052 1.00 0.00 H new ATOM 672 N ASP A 47 13.257 8.247 -4.008 1.00 0.00 N ATOM 673 CA ASP A 47 12.036 8.767 -4.684 1.00 0.00 C ATOM 674 C ASP A 47 11.255 7.603 -5.300 1.00 0.00 C ATOM 675 O ASP A 47 10.318 7.798 -6.048 1.00 0.00 O ATOM 676 CB ASP A 47 12.440 9.749 -5.786 1.00 0.00 C ATOM 677 CG ASP A 47 11.508 10.963 -5.756 1.00 0.00 C ATOM 678 OD1 ASP A 47 10.359 10.813 -6.138 1.00 0.00 O ATOM 679 OD2 ASP A 47 11.960 12.022 -5.351 1.00 0.00 O ATOM 0 H ASP A 47 13.205 8.205 -2.990 1.00 0.00 H new ATOM 0 HA ASP A 47 11.409 9.278 -3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.473 10.067 -5.644 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.388 9.261 -6.759 1.00 0.00 H new ATOM 684 N GLU A 48 11.634 6.393 -4.989 1.00 0.00 N ATOM 685 CA GLU A 48 10.914 5.219 -5.556 1.00 0.00 C ATOM 686 C GLU A 48 11.595 3.931 -5.091 1.00 0.00 C ATOM 687 O GLU A 48 12.294 3.280 -5.842 1.00 0.00 O ATOM 688 CB GLU A 48 10.943 5.289 -7.084 1.00 0.00 C ATOM 689 CG GLU A 48 12.385 5.478 -7.560 1.00 0.00 C ATOM 690 CD GLU A 48 12.406 6.415 -8.769 1.00 0.00 C ATOM 691 OE1 GLU A 48 11.381 7.018 -9.044 1.00 0.00 O ATOM 692 OE2 GLU A 48 13.445 6.515 -9.399 1.00 0.00 O ATOM 0 H GLU A 48 12.411 6.168 -4.367 1.00 0.00 H new ATOM 0 HA GLU A 48 9.879 5.228 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.526 4.376 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.323 6.115 -7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.993 5.892 -6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.820 4.515 -7.826 1.00 0.00 H new ATOM 699 N ASP A 49 11.398 3.558 -3.856 1.00 0.00 N ATOM 700 CA ASP A 49 12.035 2.313 -3.342 1.00 0.00 C ATOM 701 C ASP A 49 11.061 1.142 -3.496 1.00 0.00 C ATOM 702 O ASP A 49 11.458 -0.006 -3.530 1.00 0.00 O ATOM 703 CB ASP A 49 12.389 2.493 -1.864 1.00 0.00 C ATOM 704 CG ASP A 49 13.513 1.526 -1.486 1.00 0.00 C ATOM 705 OD1 ASP A 49 14.511 1.506 -2.188 1.00 0.00 O ATOM 706 OD2 ASP A 49 13.357 0.822 -0.503 1.00 0.00 O ATOM 0 H ASP A 49 10.823 4.062 -3.181 1.00 0.00 H new ATOM 0 HA ASP A 49 12.943 2.108 -3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.701 3.521 -1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.512 2.308 -1.244 1.00 0.00 H new ATOM 711 N ASN A 50 9.790 1.422 -3.587 1.00 0.00 N ATOM 712 CA ASN A 50 8.793 0.325 -3.739 1.00 0.00 C ATOM 713 C ASN A 50 9.134 -0.812 -2.772 1.00 0.00 C ATOM 714 O ASN A 50 9.674 -1.828 -3.161 1.00 0.00 O ATOM 715 CB ASN A 50 8.829 -0.201 -5.176 1.00 0.00 C ATOM 716 CG ASN A 50 9.085 0.960 -6.138 1.00 0.00 C ATOM 717 OD1 ASN A 50 9.874 0.843 -7.055 1.00 0.00 O ATOM 718 ND2 ASN A 50 8.447 2.086 -5.967 1.00 0.00 N ATOM 0 H ASN A 50 9.399 2.364 -3.563 1.00 0.00 H new ATOM 0 HA ASN A 50 7.797 0.706 -3.516 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.612 -0.953 -5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.885 -0.688 -5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.611 2.867 -6.603 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.785 2.185 -5.198 1.00 0.00 H new ATOM 725 N THR A 51 8.822 -0.647 -1.516 1.00 0.00 N ATOM 726 CA THR A 51 9.128 -1.719 -0.526 1.00 0.00 C ATOM 727 C THR A 51 7.825 -2.370 -0.060 1.00 0.00 C ATOM 728 O THR A 51 6.774 -1.759 -0.076 1.00 0.00 O ATOM 729 CB THR A 51 9.853 -1.111 0.677 1.00 0.00 C ATOM 730 OG1 THR A 51 10.840 -0.196 0.220 1.00 0.00 O ATOM 731 CG2 THR A 51 10.521 -2.223 1.487 1.00 0.00 C ATOM 0 H THR A 51 8.369 0.182 -1.132 1.00 0.00 H new ATOM 0 HA THR A 51 9.764 -2.472 -0.991 1.00 0.00 H new ATOM 0 HB THR A 51 9.135 -0.586 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.493 0.718 0.283 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.037 -1.789 2.344 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.763 -2.924 1.837 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.240 -2.749 0.859 1.00 0.00 H new ATOM 739 N TRP A 52 7.884 -3.605 0.357 1.00 0.00 N ATOM 740 CA TRP A 52 6.648 -4.294 0.826 1.00 0.00 C ATOM 741 C TRP A 52 6.656 -4.373 2.354 1.00 0.00 C ATOM 742 O TRP A 52 7.580 -4.885 2.953 1.00 0.00 O ATOM 743 CB TRP A 52 6.600 -5.708 0.244 1.00 0.00 C ATOM 744 CG TRP A 52 6.619 -5.636 -1.249 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.736 -5.617 -2.014 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.493 -5.573 -2.173 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.365 -5.547 -3.342 1.00 0.00 N ATOM 748 CE2 TRP A 52 6.001 -5.518 -3.491 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.095 -5.559 -1.999 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.165 -5.451 -4.595 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.241 -5.491 -3.116 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.777 -5.438 -4.413 1.00 0.00 C ATOM 0 H TRP A 52 8.734 -4.167 0.393 1.00 0.00 H new ATOM 0 HA TRP A 52 5.773 -3.734 0.495 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.451 -6.288 0.601 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.700 -6.221 0.582 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.751 -5.651 -1.646 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.025 -5.520 -4.119 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.677 -5.601 -1.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.582 -5.409 -5.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.170 -5.480 -2.975 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.120 -5.387 -5.268 1.00 0.00 H new ATOM 763 N GLU A 53 5.633 -3.869 2.988 1.00 0.00 N ATOM 764 CA GLU A 53 5.582 -3.916 4.477 1.00 0.00 C ATOM 765 C GLU A 53 4.416 -4.804 4.920 1.00 0.00 C ATOM 766 O GLU A 53 3.494 -5.038 4.163 1.00 0.00 O ATOM 767 CB GLU A 53 5.383 -2.501 5.024 1.00 0.00 C ATOM 768 CG GLU A 53 6.408 -1.558 4.392 1.00 0.00 C ATOM 769 CD GLU A 53 7.800 -2.190 4.470 1.00 0.00 C ATOM 770 OE1 GLU A 53 8.236 -2.479 5.571 1.00 0.00 O ATOM 771 OE2 GLU A 53 8.405 -2.371 3.427 1.00 0.00 O ATOM 0 H GLU A 53 4.831 -3.427 2.540 1.00 0.00 H new ATOM 0 HA GLU A 53 6.516 -4.326 4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.373 -2.155 4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.493 -2.501 6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.144 -1.361 3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.403 -0.599 4.910 1.00 0.00 H new ATOM 778 N PRO A 54 4.494 -5.274 6.140 1.00 0.00 N ATOM 779 CA PRO A 54 3.457 -6.143 6.723 1.00 0.00 C ATOM 780 C PRO A 54 2.247 -5.311 7.159 1.00 0.00 C ATOM 781 O PRO A 54 2.383 -4.289 7.802 1.00 0.00 O ATOM 782 CB PRO A 54 4.156 -6.771 7.932 1.00 0.00 C ATOM 783 CG PRO A 54 5.321 -5.823 8.304 1.00 0.00 C ATOM 784 CD PRO A 54 5.621 -4.981 7.048 1.00 0.00 C ATOM 0 HA PRO A 54 3.075 -6.887 6.024 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.464 -6.882 8.767 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.527 -7.767 7.692 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.047 -5.183 9.143 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.200 -6.391 8.609 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.676 -3.918 7.284 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.576 -5.258 6.601 1.00 0.00 H new ATOM 792 N GLU A 55 1.066 -5.742 6.811 1.00 0.00 N ATOM 793 CA GLU A 55 -0.151 -4.976 7.204 1.00 0.00 C ATOM 794 C GLU A 55 -0.272 -4.951 8.729 1.00 0.00 C ATOM 795 O GLU A 55 -0.998 -4.155 9.290 1.00 0.00 O ATOM 796 CB GLU A 55 -1.389 -5.648 6.605 1.00 0.00 C ATOM 797 CG GLU A 55 -1.340 -7.151 6.887 1.00 0.00 C ATOM 798 CD GLU A 55 -2.645 -7.589 7.554 1.00 0.00 C ATOM 799 OE1 GLU A 55 -3.596 -6.826 7.508 1.00 0.00 O ATOM 800 OE2 GLU A 55 -2.672 -8.679 8.100 1.00 0.00 O ATOM 0 H GLU A 55 0.891 -6.590 6.272 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.073 -3.955 6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.293 -5.216 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.429 -5.470 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.192 -7.701 5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.493 -7.383 7.533 1.00 0.00 H new ATOM 807 N GLU A 56 0.433 -5.817 9.404 1.00 0.00 N ATOM 808 CA GLU A 56 0.356 -5.841 10.893 1.00 0.00 C ATOM 809 C GLU A 56 1.464 -4.962 11.476 1.00 0.00 C ATOM 810 O GLU A 56 2.261 -5.404 12.280 1.00 0.00 O ATOM 811 CB GLU A 56 0.530 -7.278 11.389 1.00 0.00 C ATOM 812 CG GLU A 56 -0.817 -8.002 11.340 1.00 0.00 C ATOM 813 CD GLU A 56 -1.576 -7.759 12.645 1.00 0.00 C ATOM 814 OE1 GLU A 56 -1.263 -8.421 13.622 1.00 0.00 O ATOM 815 OE2 GLU A 56 -2.456 -6.915 12.647 1.00 0.00 O ATOM 0 H GLU A 56 1.058 -6.508 8.990 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.614 -5.461 11.213 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.259 -7.802 10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.918 -7.278 12.408 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.404 -7.644 10.494 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.662 -9.071 11.191 1.00 0.00 H new ATOM 822 N ASN A 57 1.523 -3.720 11.077 1.00 0.00 N ATOM 823 CA ASN A 57 2.579 -2.816 11.612 1.00 0.00 C ATOM 824 C ASN A 57 2.483 -1.454 10.923 1.00 0.00 C ATOM 825 O ASN A 57 2.694 -0.423 11.531 1.00 0.00 O ATOM 826 CB ASN A 57 3.957 -3.426 11.343 1.00 0.00 C ATOM 827 CG ASN A 57 4.479 -4.088 12.619 1.00 0.00 C ATOM 828 OD1 ASN A 57 4.563 -3.457 13.654 1.00 0.00 O ATOM 829 ND2 ASN A 57 4.836 -5.343 12.590 1.00 0.00 N ATOM 0 H ASN A 57 0.886 -3.294 10.404 1.00 0.00 H new ATOM 0 HA ASN A 57 2.439 -2.691 12.686 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.891 -4.160 10.540 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.650 -2.653 11.012 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.185 -5.794 13.436 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.766 -5.873 11.722 1.00 0.00 H new ATOM 836 N LEU A 58 2.164 -1.439 9.658 1.00 0.00 N ATOM 837 CA LEU A 58 2.054 -0.142 8.933 1.00 0.00 C ATOM 838 C LEU A 58 1.231 0.840 9.770 1.00 0.00 C ATOM 839 O LEU A 58 0.586 0.464 10.728 1.00 0.00 O ATOM 840 CB LEU A 58 1.366 -0.367 7.585 1.00 0.00 C ATOM 841 CG LEU A 58 2.411 -0.345 6.468 1.00 0.00 C ATOM 842 CD1 LEU A 58 1.761 -0.770 5.151 1.00 0.00 C ATOM 843 CD2 LEU A 58 2.972 1.071 6.324 1.00 0.00 C ATOM 0 H LEU A 58 1.975 -2.268 9.095 1.00 0.00 H new ATOM 0 HA LEU A 58 3.050 0.268 8.767 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.841 -1.322 7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.618 0.407 7.413 1.00 0.00 H new ATOM 0 HG LEU A 58 3.219 -1.035 6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.506 -0.754 4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.360 -1.778 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.953 -0.081 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.717 1.088 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.163 1.760 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.436 1.376 7.262 1.00 0.00 H new ATOM 855 N ASP A 59 1.250 2.095 9.415 1.00 0.00 N ATOM 856 CA ASP A 59 0.468 3.100 10.189 1.00 0.00 C ATOM 857 C ASP A 59 -0.287 4.014 9.223 1.00 0.00 C ATOM 858 O ASP A 59 -0.623 5.135 9.548 1.00 0.00 O ATOM 859 CB ASP A 59 1.421 3.938 11.046 1.00 0.00 C ATOM 860 CG ASP A 59 0.770 4.230 12.399 1.00 0.00 C ATOM 861 OD1 ASP A 59 -0.344 4.729 12.403 1.00 0.00 O ATOM 862 OD2 ASP A 59 1.395 3.950 13.408 1.00 0.00 O ATOM 0 H ASP A 59 1.773 2.468 8.623 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.245 2.587 10.834 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.361 3.405 11.190 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.659 4.872 10.536 1.00 0.00 H new ATOM 867 N CYS A 60 -0.556 3.543 8.036 1.00 0.00 N ATOM 868 CA CYS A 60 -1.288 4.386 7.049 1.00 0.00 C ATOM 869 C CYS A 60 -2.555 3.654 6.592 1.00 0.00 C ATOM 870 O CYS A 60 -2.602 3.119 5.502 1.00 0.00 O ATOM 871 CB CYS A 60 -0.389 4.651 5.839 1.00 0.00 C ATOM 872 SG CYS A 60 0.274 6.333 5.938 1.00 0.00 S ATOM 0 H CYS A 60 -0.301 2.612 7.707 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.562 5.333 7.513 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.426 3.928 5.813 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.956 4.526 4.917 1.00 0.00 H new ATOM 0 HG CYS A 60 0.673 6.712 4.760 1.00 0.00 H new ATOM 878 N PRO A 61 -3.547 3.657 7.446 1.00 0.00 N ATOM 879 CA PRO A 61 -4.836 3.003 7.166 1.00 0.00 C ATOM 880 C PRO A 61 -5.681 3.870 6.228 1.00 0.00 C ATOM 881 O PRO A 61 -6.807 3.541 5.909 1.00 0.00 O ATOM 882 CB PRO A 61 -5.489 2.892 8.547 1.00 0.00 C ATOM 883 CG PRO A 61 -4.821 3.973 9.432 1.00 0.00 C ATOM 884 CD PRO A 61 -3.474 4.315 8.766 1.00 0.00 C ATOM 0 HA PRO A 61 -4.730 2.037 6.672 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.565 3.053 8.482 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.340 1.898 8.969 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.453 4.858 9.506 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.669 3.604 10.446 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.340 5.392 8.667 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.634 3.942 9.351 1.00 0.00 H new ATOM 892 N ASP A 62 -5.143 4.970 5.779 1.00 0.00 N ATOM 893 CA ASP A 62 -5.910 5.854 4.860 1.00 0.00 C ATOM 894 C ASP A 62 -5.675 5.398 3.422 1.00 0.00 C ATOM 895 O ASP A 62 -6.601 5.221 2.655 1.00 0.00 O ATOM 896 CB ASP A 62 -5.433 7.298 5.024 1.00 0.00 C ATOM 897 CG ASP A 62 -5.549 7.712 6.492 1.00 0.00 C ATOM 898 OD1 ASP A 62 -5.717 6.833 7.322 1.00 0.00 O ATOM 899 OD2 ASP A 62 -5.469 8.899 6.761 1.00 0.00 O ATOM 0 H ASP A 62 -4.204 5.295 6.010 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.973 5.798 5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.400 7.391 4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.031 7.962 4.400 1.00 0.00 H new ATOM 904 N LEU A 63 -4.440 5.199 3.051 1.00 0.00 N ATOM 905 CA LEU A 63 -4.147 4.748 1.667 1.00 0.00 C ATOM 906 C LEU A 63 -4.442 3.255 1.560 1.00 0.00 C ATOM 907 O LEU A 63 -4.740 2.742 0.500 1.00 0.00 O ATOM 908 CB LEU A 63 -2.675 5.004 1.343 1.00 0.00 C ATOM 909 CG LEU A 63 -2.356 6.485 1.542 1.00 0.00 C ATOM 910 CD1 LEU A 63 -1.284 6.636 2.624 1.00 0.00 C ATOM 911 CD2 LEU A 63 -1.841 7.077 0.229 1.00 0.00 C ATOM 0 H LEU A 63 -3.623 5.330 3.648 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.768 5.299 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.040 4.395 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.462 4.711 0.315 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.259 7.012 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.057 7.693 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.650 6.215 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.381 6.108 2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.613 8.134 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.938 6.549 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.604 6.971 -0.542 1.00 0.00 H new ATOM 923 N ILE A 64 -4.367 2.552 2.657 1.00 0.00 N ATOM 924 CA ILE A 64 -4.648 1.093 2.623 1.00 0.00 C ATOM 925 C ILE A 64 -6.150 0.877 2.436 1.00 0.00 C ATOM 926 O ILE A 64 -6.576 0.008 1.701 1.00 0.00 O ATOM 927 CB ILE A 64 -4.199 0.452 3.937 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.672 0.495 4.027 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.671 -1.002 3.984 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.225 -0.019 5.396 1.00 0.00 C ATOM 0 H ILE A 64 -4.123 2.927 3.574 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.104 0.635 1.797 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.630 1.000 4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.234 -0.115 3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.317 1.515 3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.351 -1.458 4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.759 -1.034 3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.241 -1.552 3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.137 0.012 5.459 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.652 0.609 6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.567 -1.045 5.529 1.00 0.00 H new ATOM 942 N ALA A 65 -6.956 1.668 3.092 1.00 0.00 N ATOM 943 CA ALA A 65 -8.431 1.516 2.949 1.00 0.00 C ATOM 944 C ALA A 65 -8.892 2.233 1.679 1.00 0.00 C ATOM 945 O ALA A 65 -10.029 2.114 1.266 1.00 0.00 O ATOM 946 CB ALA A 65 -9.127 2.132 4.165 1.00 0.00 C ATOM 0 H ALA A 65 -6.656 2.413 3.721 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.685 0.458 2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.206 2.021 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.795 1.624 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.876 3.191 4.231 1.00 0.00 H new ATOM 952 N GLU A 66 -8.017 2.974 1.054 1.00 0.00 N ATOM 953 CA GLU A 66 -8.408 3.693 -0.190 1.00 0.00 C ATOM 954 C GLU A 66 -7.977 2.869 -1.403 1.00 0.00 C ATOM 955 O GLU A 66 -8.560 2.957 -2.466 1.00 0.00 O ATOM 956 CB GLU A 66 -7.720 5.060 -0.231 1.00 0.00 C ATOM 957 CG GLU A 66 -8.773 6.165 -0.135 1.00 0.00 C ATOM 958 CD GLU A 66 -9.543 6.252 -1.454 1.00 0.00 C ATOM 959 OE1 GLU A 66 -8.905 6.422 -2.480 1.00 0.00 O ATOM 960 OE2 GLU A 66 -10.758 6.147 -1.417 1.00 0.00 O ATOM 0 H GLU A 66 -7.051 3.112 1.351 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.489 3.833 -0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.011 5.147 0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.151 5.165 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.459 5.958 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.295 7.120 0.083 1.00 0.00 H new ATOM 967 N PHE A 67 -6.959 2.069 -1.252 1.00 0.00 N ATOM 968 CA PHE A 67 -6.487 1.237 -2.394 1.00 0.00 C ATOM 969 C PHE A 67 -6.965 -0.204 -2.206 1.00 0.00 C ATOM 970 O PHE A 67 -6.999 -0.984 -3.138 1.00 0.00 O ATOM 971 CB PHE A 67 -4.957 1.266 -2.445 1.00 0.00 C ATOM 972 CG PHE A 67 -4.465 0.202 -3.398 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.680 0.340 -4.775 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.792 -0.923 -2.902 1.00 0.00 C ATOM 975 CE1 PHE A 67 -4.223 -0.648 -5.658 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.335 -1.911 -3.785 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.551 -1.774 -5.163 1.00 0.00 C ATOM 0 H PHE A 67 -6.433 1.955 -0.386 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.890 1.634 -3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.612 2.248 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.546 1.096 -1.450 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.198 1.208 -5.156 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.626 -1.029 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.389 -0.542 -6.720 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.816 -2.778 -3.403 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.200 -2.536 -5.843 1.00 0.00 H new ATOM 987 N LEU A 68 -7.333 -0.568 -1.007 1.00 0.00 N ATOM 988 CA LEU A 68 -7.804 -1.960 -0.765 1.00 0.00 C ATOM 989 C LEU A 68 -9.326 -2.022 -0.934 1.00 0.00 C ATOM 990 O LEU A 68 -9.916 -3.084 -0.945 1.00 0.00 O ATOM 991 CB LEU A 68 -7.398 -2.400 0.653 1.00 0.00 C ATOM 992 CG LEU A 68 -8.446 -1.959 1.681 1.00 0.00 C ATOM 993 CD1 LEU A 68 -9.611 -2.953 1.685 1.00 0.00 C ATOM 994 CD2 LEU A 68 -7.809 -1.929 3.073 1.00 0.00 C ATOM 0 H LEU A 68 -7.328 0.038 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.345 -2.636 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.285 -3.484 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.429 -1.971 0.908 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.813 -0.966 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.355 -2.638 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.066 -2.985 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.242 -3.945 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.552 -1.616 3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.445 -2.924 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.976 -1.226 3.077 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.964 -0.892 -1.067 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.444 -0.887 -1.236 1.00 0.00 C ATOM 1008 C GLN A 69 -11.785 -0.681 -2.713 1.00 0.00 C ATOM 1009 O GLN A 69 -12.870 -0.999 -3.161 1.00 0.00 O ATOM 1010 CB GLN A 69 -12.048 0.250 -0.410 1.00 0.00 C ATOM 1011 CG GLN A 69 -13.490 -0.098 -0.035 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.932 0.764 1.149 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -13.448 0.597 2.251 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -14.839 1.684 0.968 1.00 0.00 N ATOM 0 H GLN A 69 -9.524 0.028 -1.066 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.853 -1.839 -0.896 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.456 0.413 0.491 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -12.024 1.179 -0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.149 0.070 -0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.565 -1.154 0.223 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.245 1.824 0.043 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.142 2.263 1.751 1.00 0.00 H new ATOM 1023 N SER A 70 -10.867 -0.151 -3.474 1.00 0.00 N ATOM 1024 CA SER A 70 -11.138 0.075 -4.921 1.00 0.00 C ATOM 1025 C SER A 70 -11.253 -1.273 -5.635 1.00 0.00 C ATOM 1026 O SER A 70 -12.085 -1.458 -6.501 1.00 0.00 O ATOM 1027 CB SER A 70 -9.990 0.879 -5.534 1.00 0.00 C ATOM 1028 OG SER A 70 -9.223 1.469 -4.491 1.00 0.00 O ATOM 0 H SER A 70 -9.941 0.135 -3.156 1.00 0.00 H new ATOM 0 HA SER A 70 -12.071 0.627 -5.034 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.360 0.230 -6.143 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.383 1.652 -6.194 1.00 0.00 H new ATOM 0 HG SER A 70 -9.779 2.108 -3.998 1.00 0.00 H new ATOM 1034 N GLN A 71 -10.424 -2.216 -5.280 1.00 0.00 N ATOM 1035 CA GLN A 71 -10.486 -3.551 -5.939 1.00 0.00 C ATOM 1036 C GLN A 71 -11.871 -4.163 -5.722 1.00 0.00 C ATOM 1037 O GLN A 71 -12.297 -5.035 -6.454 1.00 0.00 O ATOM 1038 CB GLN A 71 -9.423 -4.469 -5.332 1.00 0.00 C ATOM 1039 CG GLN A 71 -9.372 -4.260 -3.818 1.00 0.00 C ATOM 1040 CD GLN A 71 -8.844 -5.528 -3.144 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -9.591 -6.453 -2.895 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -7.578 -5.611 -2.836 1.00 0.00 N ATOM 0 H GLN A 71 -9.706 -2.120 -4.562 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.302 -3.438 -7.007 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.654 -5.510 -5.558 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.449 -4.256 -5.772 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.728 -3.414 -3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.366 -4.021 -3.440 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.950 -4.835 -3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.217 -6.452 -2.387 1.00 0.00 H new