USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 88 GLN : amide:sc= -0.33 K(o=-4.8,f=-5.4) USER MOD Set 1.2: A 89 GLN : amide:sc= -4.46! C(o=-4.8!,f=-4.3!) USER MOD Set 2.1: A 78 THR OG1 : rot 174:sc= -3.72! USER MOD Set 2.2: A 81 GLN : amide:sc= -3.05! K(o=-6.8!,f=-0.94) USER MOD Set 3.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -3.65! C(o=-3.6!,f=-5.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 27 LYS NZ :NH3+ -133:sc= -1.4 (180deg=-4.13!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 53 SER OG : rot -90:sc= -0.151 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 57 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.017) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.31) USER MOD Single : A 70 ASN : amide:sc= -3.79! C(o=-3.8!,f=-11!) USER MOD Single : A 73 ASN : amide:sc= -0.0489 X(o=-0.049,f=-0.47) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 90 CYS SG : rot 72:sc= -0.861 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.797 K(o=-0.8,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -1.569 -9.139 -1.102 1.00 0.00 N ATOM 230 CA VAL A 17 -1.061 -7.860 -0.636 1.00 0.00 C ATOM 231 C VAL A 17 -2.081 -7.224 0.310 1.00 0.00 C ATOM 232 O VAL A 17 -3.279 -7.480 0.199 1.00 0.00 O ATOM 233 CB VAL A 17 -0.717 -6.968 -1.831 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.979 -6.567 -2.598 1.00 0.00 C ATOM 235 CG2 VAL A 17 0.068 -5.733 -1.385 1.00 0.00 C ATOM 0 HA VAL A 17 -0.138 -7.998 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.083 -7.543 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.706 -5.934 -3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.482 -7.462 -2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.649 -6.019 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.300 -5.116 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.531 -5.157 -0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.995 -6.045 -0.904 1.00 0.00 H new ATOM 245 N GLU A 18 -1.569 -6.408 1.220 1.00 0.00 N ATOM 246 CA GLU A 18 -2.421 -5.734 2.185 1.00 0.00 C ATOM 247 C GLU A 18 -3.616 -5.090 1.479 1.00 0.00 C ATOM 248 O GLU A 18 -3.462 -4.093 0.775 1.00 0.00 O ATOM 249 CB GLU A 18 -1.630 -4.696 2.983 1.00 0.00 C ATOM 250 CG GLU A 18 -0.417 -5.334 3.663 1.00 0.00 C ATOM 251 CD GLU A 18 -0.662 -5.519 5.162 1.00 0.00 C ATOM 252 OE1 GLU A 18 -1.161 -4.553 5.778 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.345 -6.622 5.657 1.00 0.00 O ATOM 0 H GLU A 18 -0.575 -6.198 1.309 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.797 -6.476 2.890 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.301 -3.896 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.275 -4.241 3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.204 -6.299 3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.462 -4.708 3.509 1.00 0.00 H new ATOM 260 N GLU A 19 -4.780 -5.686 1.693 1.00 0.00 N ATOM 261 CA GLU A 19 -6.001 -5.183 1.086 1.00 0.00 C ATOM 262 C GLU A 19 -6.031 -3.654 1.145 1.00 0.00 C ATOM 263 O GLU A 19 -5.335 -3.046 1.957 1.00 0.00 O ATOM 264 CB GLU A 19 -7.236 -5.782 1.761 1.00 0.00 C ATOM 265 CG GLU A 19 -7.872 -6.860 0.881 1.00 0.00 C ATOM 266 CD GLU A 19 -9.286 -7.195 1.359 1.00 0.00 C ATOM 267 OE1 GLU A 19 -10.221 -6.512 0.887 1.00 0.00 O ATOM 268 OE2 GLU A 19 -9.401 -8.125 2.186 1.00 0.00 O ATOM 0 H GLU A 19 -4.903 -6.512 2.278 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.016 -5.488 0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.957 -6.211 2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.963 -4.995 1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.906 -6.517 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.256 -7.759 0.899 1.00 0.00 H new ATOM 275 N PRO A 20 -6.867 -3.061 0.251 1.00 0.00 N ATOM 276 CA PRO A 20 -6.998 -1.615 0.195 1.00 0.00 C ATOM 277 C PRO A 20 -7.828 -1.093 1.369 1.00 0.00 C ATOM 278 O PRO A 20 -8.729 -1.778 1.851 1.00 0.00 O ATOM 279 CB PRO A 20 -7.635 -1.330 -1.156 1.00 0.00 C ATOM 280 CG PRO A 20 -8.261 -2.640 -1.605 1.00 0.00 C ATOM 281 CD PRO A 20 -7.707 -3.748 -0.725 1.00 0.00 C ATOM 0 HA PRO A 20 -6.040 -1.102 0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.387 -0.545 -1.076 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.891 -0.986 -1.874 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.347 -2.593 -1.521 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.031 -2.834 -2.653 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.508 -4.304 -0.237 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.130 -4.466 -1.308 1.00 0.00 H new ATOM 289 N ARG A 21 -7.495 0.116 1.797 1.00 0.00 N ATOM 290 CA ARG A 21 -8.198 0.738 2.906 1.00 0.00 C ATOM 291 C ARG A 21 -8.704 2.125 2.503 1.00 0.00 C ATOM 292 O ARG A 21 -8.256 2.687 1.505 1.00 0.00 O ATOM 293 CB ARG A 21 -7.289 0.870 4.129 1.00 0.00 C ATOM 294 CG ARG A 21 -6.273 1.998 3.939 1.00 0.00 C ATOM 295 CD ARG A 21 -4.854 1.516 4.246 1.00 0.00 C ATOM 296 NE ARG A 21 -4.596 0.231 3.559 1.00 0.00 N ATOM 297 CZ ARG A 21 -3.582 -0.592 3.860 1.00 0.00 C ATOM 298 NH1 ARG A 21 -2.725 -0.269 4.838 1.00 0.00 N ATOM 299 NH2 ARG A 21 -3.426 -1.738 3.183 1.00 0.00 N ATOM 0 H ARG A 21 -6.747 0.682 1.395 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.043 0.100 3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.892 1.065 5.015 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.765 -0.071 4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.322 2.367 2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.526 2.834 4.591 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.129 2.263 3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.727 1.395 5.322 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.230 -0.046 2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.844 0.603 5.353 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.953 -0.895 5.067 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.079 -1.984 2.439 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.654 -2.365 3.412 1.00 0.00 H new ATOM 313 N HIS A 22 -9.630 2.636 3.300 1.00 0.00 N ATOM 314 CA HIS A 22 -10.202 3.946 3.039 1.00 0.00 C ATOM 315 C HIS A 22 -9.876 4.889 4.199 1.00 0.00 C ATOM 316 O HIS A 22 -10.491 4.807 5.261 1.00 0.00 O ATOM 317 CB HIS A 22 -11.704 3.839 2.766 1.00 0.00 C ATOM 318 CG HIS A 22 -12.061 2.858 1.674 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.518 1.587 1.602 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.912 2.974 0.615 1.00 0.00 C ATOM 321 CE1 HIS A 22 -12.026 0.976 0.542 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.889 1.837 -0.069 1.00 0.00 N ATOM 0 H HIS A 22 -9.999 2.167 4.127 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.757 4.368 2.138 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.210 3.544 3.685 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.085 4.824 2.495 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.505 3.844 0.374 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.797 -0.029 0.218 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.428 1.640 -0.912 1.00 0.00 H new ATOM 330 N VAL A 23 -8.910 5.762 3.956 1.00 0.00 N ATOM 331 CA VAL A 23 -8.495 6.719 4.968 1.00 0.00 C ATOM 332 C VAL A 23 -9.142 8.075 4.676 1.00 0.00 C ATOM 333 O VAL A 23 -8.925 8.655 3.613 1.00 0.00 O ATOM 334 CB VAL A 23 -6.968 6.786 5.029 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.505 7.995 5.845 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.384 5.489 5.592 1.00 0.00 C ATOM 0 H VAL A 23 -8.403 5.827 3.074 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.833 6.403 5.955 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.597 6.906 4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.416 8.020 5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.877 8.910 5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.892 7.918 6.861 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.297 5.563 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.767 5.325 6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.672 4.653 4.954 1.00 0.00 H new ATOM 346 N LYS A 24 -9.923 8.541 5.640 1.00 0.00 N ATOM 347 CA LYS A 24 -10.603 9.818 5.500 1.00 0.00 C ATOM 348 C LYS A 24 -9.631 10.948 5.843 1.00 0.00 C ATOM 349 O LYS A 24 -8.656 10.736 6.562 1.00 0.00 O ATOM 350 CB LYS A 24 -11.886 9.836 6.333 1.00 0.00 C ATOM 351 CG LYS A 24 -13.064 9.268 5.538 1.00 0.00 C ATOM 352 CD LYS A 24 -14.331 9.223 6.393 1.00 0.00 C ATOM 353 CE LYS A 24 -15.584 9.341 5.523 1.00 0.00 C ATOM 354 NZ LYS A 24 -16.769 8.829 6.248 1.00 0.00 N ATOM 0 H LYS A 24 -10.100 8.058 6.521 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.919 9.971 4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.742 9.253 7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.109 10.857 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.239 9.880 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.821 8.265 5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.361 8.290 6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.312 10.034 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.743 10.383 5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.446 8.781 4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.611 8.916 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.621 7.829 6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.909 9.381 7.118 1.00 0.00 H new ATOM 368 N VAL A 25 -9.931 12.125 5.313 1.00 0.00 N ATOM 369 CA VAL A 25 -9.095 13.289 5.555 1.00 0.00 C ATOM 370 C VAL A 25 -9.985 14.490 5.884 1.00 0.00 C ATOM 371 O VAL A 25 -11.013 14.700 5.242 1.00 0.00 O ATOM 372 CB VAL A 25 -8.180 13.535 4.353 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.176 14.651 4.649 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.464 12.249 3.938 1.00 0.00 C ATOM 0 H VAL A 25 -10.741 12.298 4.717 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.444 13.121 6.413 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.802 13.857 3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.538 14.806 3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.712 15.573 4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.562 14.370 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.820 12.451 3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.860 11.885 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.201 11.493 3.667 1.00 0.00 H new ATOM 384 N GLN A 26 -9.557 15.246 6.885 1.00 0.00 N ATOM 385 CA GLN A 26 -10.302 16.420 7.307 1.00 0.00 C ATOM 386 C GLN A 26 -9.516 17.692 6.983 1.00 0.00 C ATOM 387 O GLN A 26 -8.986 18.344 7.881 1.00 0.00 O ATOM 388 CB GLN A 26 -10.638 16.348 8.798 1.00 0.00 C ATOM 389 CG GLN A 26 -12.127 16.067 9.011 1.00 0.00 C ATOM 390 CD GLN A 26 -12.656 16.812 10.239 1.00 0.00 C ATOM 391 OE1 GLN A 26 -11.990 16.940 11.253 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.886 17.294 10.090 1.00 0.00 N ATOM 0 H GLN A 26 -8.704 15.068 7.416 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.242 16.448 6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.045 15.565 9.271 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.369 17.287 9.281 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.688 16.371 8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.284 14.996 9.136 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.387 17.150 9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.328 17.807 10.852 1.00 0.00 H new ATOM 401 N LYS A 27 -9.466 18.007 5.697 1.00 0.00 N ATOM 402 CA LYS A 27 -8.754 19.189 5.243 1.00 0.00 C ATOM 403 C LYS A 27 -9.357 20.428 5.907 1.00 0.00 C ATOM 404 O LYS A 27 -8.845 20.906 6.918 1.00 0.00 O ATOM 405 CB LYS A 27 -8.743 19.254 3.714 1.00 0.00 C ATOM 406 CG LYS A 27 -7.312 19.324 3.178 1.00 0.00 C ATOM 407 CD LYS A 27 -6.820 17.941 2.746 1.00 0.00 C ATOM 408 CE LYS A 27 -6.405 17.941 1.274 1.00 0.00 C ATOM 409 NZ LYS A 27 -7.011 16.792 0.564 1.00 0.00 N ATOM 0 H LYS A 27 -9.907 17.464 4.955 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.707 19.143 5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.245 18.377 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.303 20.127 3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.270 20.010 2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.651 19.725 3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.975 17.642 3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.608 17.205 2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.717 18.873 0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.319 17.892 1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.285 16.315 -0.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.400 16.122 1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.774 17.131 -0.057 1.00 0.00 H new ATOM 423 N GLY A 28 -10.436 20.914 5.311 1.00 0.00 N ATOM 424 CA GLY A 28 -11.114 22.089 5.832 1.00 0.00 C ATOM 425 C GLY A 28 -10.704 23.346 5.061 1.00 0.00 C ATOM 426 O GLY A 28 -11.543 24.001 4.445 1.00 0.00 O ATOM 0 H GLY A 28 -10.858 20.515 4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.193 21.951 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.876 22.212 6.888 1.00 0.00 H new ATOM 430 N SER A 29 -9.414 23.643 5.120 1.00 0.00 N ATOM 431 CA SER A 29 -8.883 24.809 4.435 1.00 0.00 C ATOM 432 C SER A 29 -7.354 24.788 4.474 1.00 0.00 C ATOM 433 O SER A 29 -6.717 25.837 4.563 1.00 0.00 O ATOM 434 CB SER A 29 -9.412 26.102 5.058 1.00 0.00 C ATOM 435 OG SER A 29 -9.209 26.138 6.468 1.00 0.00 O ATOM 0 H SER A 29 -8.721 23.096 5.632 1.00 0.00 H new ATOM 0 HA SER A 29 -9.214 24.776 3.397 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.914 26.956 4.598 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.476 26.199 4.842 1.00 0.00 H new ATOM 0 HG SER A 29 -9.559 26.980 6.827 1.00 0.00 H new ATOM 441 N GLU A 30 -6.809 23.582 4.406 1.00 0.00 N ATOM 442 CA GLU A 30 -5.366 23.411 4.433 1.00 0.00 C ATOM 443 C GLU A 30 -4.940 22.341 3.426 1.00 0.00 C ATOM 444 O GLU A 30 -5.749 21.508 3.021 1.00 0.00 O ATOM 445 CB GLU A 30 -4.881 23.062 5.842 1.00 0.00 C ATOM 446 CG GLU A 30 -4.540 24.327 6.633 1.00 0.00 C ATOM 447 CD GLU A 30 -3.059 24.682 6.486 1.00 0.00 C ATOM 448 OE1 GLU A 30 -2.234 23.910 7.022 1.00 0.00 O ATOM 449 OE2 GLU A 30 -2.785 25.717 5.842 1.00 0.00 O ATOM 0 H GLU A 30 -7.340 22.714 4.332 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.902 24.356 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.652 22.497 6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.002 22.420 5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.153 25.157 6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.779 24.178 7.686 1.00 0.00 H new ATOM 456 N PRO A 31 -3.637 22.399 3.042 1.00 0.00 N ATOM 457 CA PRO A 31 -3.093 21.446 2.090 1.00 0.00 C ATOM 458 C PRO A 31 -2.874 20.081 2.746 1.00 0.00 C ATOM 459 O PRO A 31 -2.888 19.967 3.971 1.00 0.00 O ATOM 460 CB PRO A 31 -1.805 22.078 1.591 1.00 0.00 C ATOM 461 CG PRO A 31 -1.436 23.138 2.617 1.00 0.00 C ATOM 462 CD PRO A 31 -2.650 23.372 3.502 1.00 0.00 C ATOM 0 HA PRO A 31 -3.771 21.248 1.260 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.015 21.333 1.498 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.944 22.521 0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.585 22.811 3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.141 24.063 2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.408 23.223 4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.022 24.391 3.402 1.00 0.00 H new ATOM 470 N LEU A 32 -2.677 19.079 1.902 1.00 0.00 N ATOM 471 CA LEU A 32 -2.455 17.726 2.384 1.00 0.00 C ATOM 472 C LEU A 32 -1.109 17.662 3.109 1.00 0.00 C ATOM 473 O LEU A 32 -1.052 17.331 4.292 1.00 0.00 O ATOM 474 CB LEU A 32 -2.585 16.721 1.238 1.00 0.00 C ATOM 475 CG LEU A 32 -2.915 15.283 1.642 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.285 15.204 2.319 1.00 0.00 C ATOM 477 CD2 LEU A 32 -2.813 14.339 0.443 1.00 0.00 C ATOM 0 H LEU A 32 -2.666 19.177 0.887 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.221 17.449 3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.361 17.074 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.650 16.715 0.679 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.175 14.956 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.495 14.171 2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.285 15.827 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.052 15.558 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.053 13.323 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.515 14.654 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.799 14.365 0.044 1.00 0.00 H new ATOM 489 N GLY A 33 -0.059 17.984 2.369 1.00 0.00 N ATOM 490 CA GLY A 33 1.283 17.968 2.926 1.00 0.00 C ATOM 491 C GLY A 33 1.915 16.580 2.793 1.00 0.00 C ATOM 492 O GLY A 33 2.317 15.979 3.788 1.00 0.00 O ATOM 0 H GLY A 33 -0.110 18.258 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.902 18.704 2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.248 18.257 3.977 1.00 0.00 H new ATOM 496 N ILE A 34 1.983 16.112 1.556 1.00 0.00 N ATOM 497 CA ILE A 34 2.559 14.807 1.280 1.00 0.00 C ATOM 498 C ILE A 34 3.158 14.806 -0.128 1.00 0.00 C ATOM 499 O ILE A 34 2.631 15.455 -1.031 1.00 0.00 O ATOM 500 CB ILE A 34 1.522 13.705 1.508 1.00 0.00 C ATOM 501 CG1 ILE A 34 0.250 13.973 0.701 1.00 0.00 C ATOM 502 CG2 ILE A 34 1.229 13.529 2.999 1.00 0.00 C ATOM 503 CD1 ILE A 34 -0.080 12.790 -0.211 1.00 0.00 C ATOM 0 H ILE A 34 1.649 16.613 0.733 1.00 0.00 H new ATOM 0 HA ILE A 34 3.373 14.595 1.973 1.00 0.00 H new ATOM 0 HB ILE A 34 1.938 12.764 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.583 14.157 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.378 14.874 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.489 12.740 3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.147 13.258 3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.842 14.463 3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.988 13.006 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.745 12.624 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.232 11.896 0.394 1.00 0.00 H new ATOM 515 N SER A 35 4.250 14.071 -0.272 1.00 0.00 N ATOM 516 CA SER A 35 4.926 13.977 -1.554 1.00 0.00 C ATOM 517 C SER A 35 4.563 12.659 -2.242 1.00 0.00 C ATOM 518 O SER A 35 4.383 11.638 -1.580 1.00 0.00 O ATOM 519 CB SER A 35 6.443 14.088 -1.387 1.00 0.00 C ATOM 520 OG SER A 35 7.080 14.536 -2.580 1.00 0.00 O ATOM 0 H SER A 35 4.684 13.534 0.479 1.00 0.00 H new ATOM 0 HA SER A 35 4.595 14.808 -2.177 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.669 14.778 -0.574 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.848 13.117 -1.102 1.00 0.00 H new ATOM 0 HG SER A 35 8.047 14.595 -2.432 1.00 0.00 H new ATOM 526 N ILE A 36 4.467 12.724 -3.562 1.00 0.00 N ATOM 527 CA ILE A 36 4.129 11.549 -4.346 1.00 0.00 C ATOM 528 C ILE A 36 5.031 11.487 -5.580 1.00 0.00 C ATOM 529 O ILE A 36 5.525 12.514 -6.044 1.00 0.00 O ATOM 530 CB ILE A 36 2.635 11.536 -4.676 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.242 12.771 -5.489 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.794 11.395 -3.405 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.407 12.516 -6.988 1.00 0.00 C ATOM 0 H ILE A 36 4.617 13.572 -4.108 1.00 0.00 H new ATOM 0 HA ILE A 36 4.313 10.642 -3.770 1.00 0.00 H new ATOM 0 HB ILE A 36 2.430 10.664 -5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.207 13.038 -5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.859 13.619 -5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.736 11.388 -3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.049 10.462 -2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.997 12.234 -2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.121 13.410 -7.543 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.447 12.273 -7.203 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.770 11.684 -7.288 1.00 0.00 H new ATOM 545 N VAL A 37 5.220 10.273 -6.076 1.00 0.00 N ATOM 546 CA VAL A 37 6.054 10.065 -7.247 1.00 0.00 C ATOM 547 C VAL A 37 5.336 9.127 -8.219 1.00 0.00 C ATOM 548 O VAL A 37 4.529 8.296 -7.804 1.00 0.00 O ATOM 549 CB VAL A 37 7.431 9.548 -6.824 1.00 0.00 C ATOM 550 CG1 VAL A 37 8.004 10.388 -5.682 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.365 8.069 -6.437 1.00 0.00 C ATOM 0 H VAL A 37 4.810 9.424 -5.688 1.00 0.00 H new ATOM 0 HA VAL A 37 6.222 11.007 -7.769 1.00 0.00 H new ATOM 0 HB VAL A 37 8.102 9.642 -7.678 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.983 10.000 -5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.104 11.424 -6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.334 10.340 -4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.356 7.726 -6.140 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.673 7.941 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.019 7.485 -7.290 1.00 0.00 H new ATOM 561 N SER A 38 5.656 9.290 -9.495 1.00 0.00 N ATOM 562 CA SER A 38 5.051 8.468 -10.529 1.00 0.00 C ATOM 563 C SER A 38 6.033 7.383 -10.975 1.00 0.00 C ATOM 564 O SER A 38 7.243 7.602 -10.986 1.00 0.00 O ATOM 565 CB SER A 38 4.620 9.318 -11.726 1.00 0.00 C ATOM 566 OG SER A 38 4.048 8.527 -12.764 1.00 0.00 O ATOM 0 H SER A 38 6.326 9.979 -9.836 1.00 0.00 H new ATOM 0 HA SER A 38 4.161 7.996 -10.114 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.897 10.065 -11.399 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.482 9.859 -12.116 1.00 0.00 H new ATOM 0 HG SER A 38 3.784 9.106 -13.509 1.00 0.00 H new ATOM 572 N GLY A 39 5.475 6.235 -11.332 1.00 0.00 N ATOM 573 CA GLY A 39 6.286 5.115 -11.778 1.00 0.00 C ATOM 574 C GLY A 39 6.098 4.864 -13.276 1.00 0.00 C ATOM 575 O GLY A 39 5.199 5.429 -13.896 1.00 0.00 O ATOM 0 H GLY A 39 4.471 6.057 -11.321 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.337 5.316 -11.568 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.015 4.220 -11.219 1.00 0.00 H new ATOM 623 N GLY A 43 1.362 4.974 -12.158 1.00 0.00 N ATOM 624 CA GLY A 43 0.996 4.834 -10.759 1.00 0.00 C ATOM 625 C GLY A 43 1.532 6.005 -9.932 1.00 0.00 C ATOM 626 O GLY A 43 2.259 6.853 -10.448 1.00 0.00 O ATOM 0 HA2 GLY A 43 -0.089 4.785 -10.666 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.392 3.897 -10.368 1.00 0.00 H new ATOM 630 N ILE A 44 1.153 6.014 -8.662 1.00 0.00 N ATOM 631 CA ILE A 44 1.587 7.066 -7.759 1.00 0.00 C ATOM 632 C ILE A 44 1.968 6.451 -6.411 1.00 0.00 C ATOM 633 O ILE A 44 1.252 5.598 -5.890 1.00 0.00 O ATOM 634 CB ILE A 44 0.521 8.158 -7.657 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.281 8.819 -9.016 1.00 0.00 C ATOM 636 CG2 ILE A 44 0.884 9.181 -6.579 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.453 9.723 -9.401 1.00 0.00 C ATOM 0 H ILE A 44 0.550 5.309 -8.237 1.00 0.00 H new ATOM 0 HA ILE A 44 2.478 7.558 -8.148 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.417 7.692 -7.355 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.143 8.052 -9.778 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.638 9.404 -8.983 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.109 9.946 -6.528 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.964 8.680 -5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.838 9.647 -6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.257 10.180 -10.371 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.573 10.503 -8.650 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.366 9.131 -9.457 1.00 0.00 H new ATOM 649 N TYR A 45 3.096 6.907 -5.886 1.00 0.00 N ATOM 650 CA TYR A 45 3.580 6.412 -4.609 1.00 0.00 C ATOM 651 C TYR A 45 4.116 7.556 -3.745 1.00 0.00 C ATOM 652 O TYR A 45 4.875 8.396 -4.223 1.00 0.00 O ATOM 653 CB TYR A 45 4.728 5.455 -4.935 1.00 0.00 C ATOM 654 CG TYR A 45 4.359 4.361 -5.939 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.479 4.598 -7.294 1.00 0.00 C ATOM 656 CD2 TYR A 45 3.907 3.137 -5.491 1.00 0.00 C ATOM 657 CE1 TYR A 45 4.132 3.568 -8.238 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.560 2.107 -6.435 1.00 0.00 C ATOM 659 CZ TYR A 45 3.690 2.373 -7.763 1.00 0.00 C ATOM 660 OH TYR A 45 3.362 1.401 -8.655 1.00 0.00 O ATOM 0 H TYR A 45 3.688 7.614 -6.322 1.00 0.00 H new ATOM 0 HA TYR A 45 2.776 5.927 -4.056 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.565 6.030 -5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.070 4.987 -4.012 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.833 5.556 -7.646 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.813 2.951 -4.431 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.221 3.741 -9.300 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.205 1.145 -6.097 1.00 0.00 H new ATOM 0 HH TYR A 45 3.063 0.602 -8.173 1.00 0.00 H new ATOM 670 N VAL A 46 3.699 7.550 -2.487 1.00 0.00 N ATOM 671 CA VAL A 46 4.127 8.577 -1.552 1.00 0.00 C ATOM 672 C VAL A 46 5.656 8.602 -1.495 1.00 0.00 C ATOM 673 O VAL A 46 6.295 7.555 -1.415 1.00 0.00 O ATOM 674 CB VAL A 46 3.481 8.342 -0.185 1.00 0.00 C ATOM 675 CG1 VAL A 46 4.024 9.325 0.854 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.956 8.427 -0.277 1.00 0.00 C ATOM 0 H VAL A 46 3.069 6.850 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 46 3.798 9.561 -1.887 1.00 0.00 H new ATOM 0 HB VAL A 46 3.741 7.334 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.549 9.136 1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.102 9.194 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.809 10.345 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.522 8.256 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.668 9.416 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.591 7.670 -0.971 1.00 0.00 H new ATOM 686 N SER A 47 6.197 9.811 -1.539 1.00 0.00 N ATOM 687 CA SER A 47 7.639 9.987 -1.493 1.00 0.00 C ATOM 688 C SER A 47 8.053 10.565 -0.138 1.00 0.00 C ATOM 689 O SER A 47 9.211 10.454 0.261 1.00 0.00 O ATOM 690 CB SER A 47 8.119 10.895 -2.626 1.00 0.00 C ATOM 691 OG SER A 47 9.017 11.899 -2.162 1.00 0.00 O ATOM 0 H SER A 47 5.663 10.678 -1.606 1.00 0.00 H new ATOM 0 HA SER A 47 8.107 9.011 -1.623 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.612 10.293 -3.389 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.259 11.369 -3.100 1.00 0.00 H new ATOM 0 HG SER A 47 9.302 12.457 -2.916 1.00 0.00 H new ATOM 697 N LYS A 48 7.083 11.170 0.532 1.00 0.00 N ATOM 698 CA LYS A 48 7.332 11.766 1.834 1.00 0.00 C ATOM 699 C LYS A 48 6.022 12.324 2.394 1.00 0.00 C ATOM 700 O LYS A 48 5.058 12.516 1.654 1.00 0.00 O ATOM 701 CB LYS A 48 8.453 12.803 1.743 1.00 0.00 C ATOM 702 CG LYS A 48 9.231 12.887 3.058 1.00 0.00 C ATOM 703 CD LYS A 48 10.711 12.565 2.841 1.00 0.00 C ATOM 704 CE LYS A 48 11.541 12.945 4.068 1.00 0.00 C ATOM 705 NZ LYS A 48 12.374 11.802 4.505 1.00 0.00 N ATOM 0 H LYS A 48 6.124 11.260 0.198 1.00 0.00 H new ATOM 0 HA LYS A 48 7.684 11.011 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.131 12.540 0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.032 13.779 1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.131 13.887 3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.806 12.191 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.829 11.501 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.079 13.103 1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.178 13.798 3.834 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.881 13.253 4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.931 12.077 5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.760 10.998 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.017 11.526 3.735 1.00 0.00 H new ATOM 719 N VAL A 49 6.028 12.569 3.696 1.00 0.00 N ATOM 720 CA VAL A 49 4.853 13.101 4.363 1.00 0.00 C ATOM 721 C VAL A 49 5.243 14.349 5.157 1.00 0.00 C ATOM 722 O VAL A 49 6.420 14.567 5.439 1.00 0.00 O ATOM 723 CB VAL A 49 4.209 12.018 5.231 1.00 0.00 C ATOM 724 CG1 VAL A 49 3.700 12.603 6.551 1.00 0.00 C ATOM 725 CG2 VAL A 49 3.083 11.308 4.477 1.00 0.00 C ATOM 0 H VAL A 49 6.829 12.409 4.307 1.00 0.00 H new ATOM 0 HA VAL A 49 4.103 13.402 3.632 1.00 0.00 H new ATOM 0 HB VAL A 49 4.975 11.278 5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.247 11.812 7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.533 13.041 7.100 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.957 13.373 6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.643 10.543 5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.318 12.033 4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.485 10.841 3.578 1.00 0.00 H new ATOM 735 N THR A 50 4.233 15.137 5.494 1.00 0.00 N ATOM 736 CA THR A 50 4.455 16.358 6.249 1.00 0.00 C ATOM 737 C THR A 50 3.952 16.197 7.685 1.00 0.00 C ATOM 738 O THR A 50 2.840 15.720 7.906 1.00 0.00 O ATOM 739 CB THR A 50 3.786 17.509 5.496 1.00 0.00 C ATOM 740 OG1 THR A 50 4.433 17.517 4.226 1.00 0.00 O ATOM 741 CG2 THR A 50 4.123 18.876 6.094 1.00 0.00 C ATOM 0 H THR A 50 3.258 14.953 5.258 1.00 0.00 H new ATOM 0 HA THR A 50 5.518 16.582 6.334 1.00 0.00 H new ATOM 0 HB THR A 50 2.705 17.366 5.504 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.058 18.233 3.672 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.622 19.657 5.522 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.786 18.913 7.130 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.201 19.034 6.057 1.00 0.00 H new ATOM 749 N VAL A 51 4.794 16.603 8.623 1.00 0.00 N ATOM 750 CA VAL A 51 4.448 16.510 10.031 1.00 0.00 C ATOM 751 C VAL A 51 3.437 17.604 10.377 1.00 0.00 C ATOM 752 O VAL A 51 3.588 18.750 9.955 1.00 0.00 O ATOM 753 CB VAL A 51 5.715 16.574 10.887 1.00 0.00 C ATOM 754 CG1 VAL A 51 5.387 16.988 12.322 1.00 0.00 C ATOM 755 CG2 VAL A 51 6.464 15.240 10.858 1.00 0.00 C ATOM 0 H VAL A 51 5.716 16.997 8.436 1.00 0.00 H new ATOM 0 HA VAL A 51 3.975 15.551 10.245 1.00 0.00 H new ATOM 0 HB VAL A 51 6.369 17.335 10.461 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.305 17.026 12.909 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.918 17.972 12.319 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.704 16.262 12.763 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.360 15.312 11.474 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.819 14.452 11.247 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.747 15.004 9.832 1.00 0.00 H new ATOM 765 N GLY A 52 2.428 17.213 11.142 1.00 0.00 N ATOM 766 CA GLY A 52 1.392 18.147 11.550 1.00 0.00 C ATOM 767 C GLY A 52 0.583 18.628 10.344 1.00 0.00 C ATOM 768 O GLY A 52 -0.007 19.707 10.378 1.00 0.00 O ATOM 0 H GLY A 52 2.306 16.262 11.490 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.729 17.668 12.270 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.845 19.001 12.053 1.00 0.00 H new ATOM 772 N SER A 53 0.581 17.805 9.306 1.00 0.00 N ATOM 773 CA SER A 53 -0.146 18.133 8.092 1.00 0.00 C ATOM 774 C SER A 53 -1.408 17.274 7.989 1.00 0.00 C ATOM 775 O SER A 53 -1.471 16.187 8.561 1.00 0.00 O ATOM 776 CB SER A 53 0.731 17.938 6.854 1.00 0.00 C ATOM 777 OG SER A 53 1.122 19.180 6.274 1.00 0.00 O ATOM 0 H SER A 53 1.072 16.911 9.281 1.00 0.00 H new ATOM 0 HA SER A 53 -0.432 19.184 8.139 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.620 17.369 7.126 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.189 17.348 6.115 1.00 0.00 H new ATOM 0 HG SER A 53 0.458 19.453 5.607 1.00 0.00 H new ATOM 783 N ILE A 54 -2.381 17.793 7.255 1.00 0.00 N ATOM 784 CA ILE A 54 -3.637 17.087 7.070 1.00 0.00 C ATOM 785 C ILE A 54 -3.355 15.595 6.879 1.00 0.00 C ATOM 786 O ILE A 54 -3.720 14.778 7.722 1.00 0.00 O ATOM 787 CB ILE A 54 -4.440 17.712 5.927 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.812 19.161 6.247 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.670 16.865 5.594 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.801 19.230 7.412 1.00 0.00 C ATOM 0 H ILE A 54 -2.325 18.695 6.781 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.262 17.183 7.958 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.811 17.730 5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.913 19.724 6.495 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.249 19.631 5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.223 17.331 4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.353 15.866 5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.311 16.793 6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.048 20.271 7.618 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.709 18.686 7.151 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.351 18.782 8.298 1.00 0.00 H new ATOM 802 N ALA A 55 -2.708 15.286 5.765 1.00 0.00 N ATOM 803 CA ALA A 55 -2.373 13.907 5.452 1.00 0.00 C ATOM 804 C ALA A 55 -1.930 13.192 6.730 1.00 0.00 C ATOM 805 O ALA A 55 -2.508 12.176 7.110 1.00 0.00 O ATOM 806 CB ALA A 55 -1.298 13.876 4.364 1.00 0.00 C ATOM 0 H ALA A 55 -2.407 15.967 5.068 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.244 13.379 5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.047 12.841 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.673 14.370 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.407 14.394 4.718 1.00 0.00 H new ATOM 812 N HIS A 56 -0.906 13.752 7.358 1.00 0.00 N ATOM 813 CA HIS A 56 -0.378 13.181 8.585 1.00 0.00 C ATOM 814 C HIS A 56 -1.529 12.875 9.546 1.00 0.00 C ATOM 815 O HIS A 56 -1.556 11.815 10.169 1.00 0.00 O ATOM 816 CB HIS A 56 0.680 14.100 9.201 1.00 0.00 C ATOM 817 CG HIS A 56 0.704 14.083 10.711 1.00 0.00 C ATOM 818 ND1 HIS A 56 -0.010 14.983 11.482 1.00 0.00 N ATOM 819 CD2 HIS A 56 1.363 13.266 11.582 1.00 0.00 C ATOM 820 CE1 HIS A 56 0.217 14.711 12.759 1.00 0.00 C ATOM 821 NE2 HIS A 56 1.068 13.647 12.819 1.00 0.00 N ATOM 0 H HIS A 56 -0.428 14.595 7.040 1.00 0.00 H new ATOM 0 HA HIS A 56 0.126 12.240 8.365 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.662 13.807 8.829 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.502 15.121 8.862 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.014 12.448 11.311 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.199 15.239 13.604 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.420 13.215 13.673 1.00 0.00 H new ATOM 829 N GLN A 57 -2.451 13.822 9.635 1.00 0.00 N ATOM 830 CA GLN A 57 -3.601 13.668 10.509 1.00 0.00 C ATOM 831 C GLN A 57 -4.441 12.466 10.072 1.00 0.00 C ATOM 832 O GLN A 57 -4.912 11.696 10.908 1.00 0.00 O ATOM 833 CB GLN A 57 -4.444 14.944 10.538 1.00 0.00 C ATOM 834 CG GLN A 57 -3.590 16.156 10.915 1.00 0.00 C ATOM 835 CD GLN A 57 -4.462 17.303 11.431 1.00 0.00 C ATOM 836 OE1 GLN A 57 -5.118 17.205 12.455 1.00 0.00 O ATOM 837 NE2 GLN A 57 -4.433 18.391 10.667 1.00 0.00 N ATOM 0 H GLN A 57 -2.425 14.700 9.116 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.241 13.488 11.522 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.900 15.105 9.561 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.258 14.831 11.255 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.867 15.872 11.680 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.022 16.489 10.047 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.862 18.406 9.822 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.982 19.211 10.926 1.00 0.00 H new ATOM 846 N ALA A 58 -4.605 12.343 8.763 1.00 0.00 N ATOM 847 CA ALA A 58 -5.380 11.248 8.205 1.00 0.00 C ATOM 848 C ALA A 58 -4.738 9.918 8.606 1.00 0.00 C ATOM 849 O ALA A 58 -5.432 8.918 8.782 1.00 0.00 O ATOM 850 CB ALA A 58 -5.479 11.413 6.687 1.00 0.00 C ATOM 0 H ALA A 58 -4.214 12.984 8.072 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.396 11.257 8.601 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.060 10.591 6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.969 12.359 6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.479 11.407 6.254 1.00 0.00 H new ATOM 856 N GLY A 59 -3.420 9.950 8.738 1.00 0.00 N ATOM 857 CA GLY A 59 -2.677 8.759 9.115 1.00 0.00 C ATOM 858 C GLY A 59 -2.045 8.097 7.890 1.00 0.00 C ATOM 859 O GLY A 59 -2.049 6.873 7.770 1.00 0.00 O ATOM 0 H GLY A 59 -2.848 10.781 8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.900 9.023 9.832 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.342 8.053 9.612 1.00 0.00 H new ATOM 863 N LEU A 60 -1.516 8.935 7.011 1.00 0.00 N ATOM 864 CA LEU A 60 -0.881 8.446 5.799 1.00 0.00 C ATOM 865 C LEU A 60 0.571 8.073 6.104 1.00 0.00 C ATOM 866 O LEU A 60 1.011 8.159 7.250 1.00 0.00 O ATOM 867 CB LEU A 60 -1.028 9.466 4.668 1.00 0.00 C ATOM 868 CG LEU A 60 -2.437 9.633 4.094 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.422 10.529 2.855 1.00 0.00 C ATOM 870 CD2 LEU A 60 -3.077 8.273 3.810 1.00 0.00 C ATOM 0 H LEU A 60 -1.514 9.950 7.114 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.377 7.541 5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.689 10.435 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.359 9.179 3.857 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.054 10.130 4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.436 10.631 2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.035 11.512 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.785 10.083 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.077 8.420 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.468 7.728 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.142 7.701 4.736 1.00 0.00 H new ATOM 882 N GLU A 61 1.276 7.665 5.059 1.00 0.00 N ATOM 883 CA GLU A 61 2.669 7.277 5.201 1.00 0.00 C ATOM 884 C GLU A 61 3.276 6.966 3.831 1.00 0.00 C ATOM 885 O GLU A 61 2.552 6.810 2.849 1.00 0.00 O ATOM 886 CB GLU A 61 2.813 6.084 6.148 1.00 0.00 C ATOM 887 CG GLU A 61 2.165 4.832 5.554 1.00 0.00 C ATOM 888 CD GLU A 61 3.129 3.645 5.591 1.00 0.00 C ATOM 889 OE1 GLU A 61 4.350 3.903 5.520 1.00 0.00 O ATOM 890 OE2 GLU A 61 2.624 2.506 5.690 1.00 0.00 O ATOM 0 H GLU A 61 0.908 7.595 4.110 1.00 0.00 H new ATOM 0 HA GLU A 61 3.215 8.113 5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.869 5.894 6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.350 6.318 7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.260 4.588 6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.863 5.028 4.525 1.00 0.00 H new ATOM 897 N TYR A 62 4.598 6.886 3.810 1.00 0.00 N ATOM 898 CA TYR A 62 5.311 6.597 2.577 1.00 0.00 C ATOM 899 C TYR A 62 5.196 5.115 2.212 1.00 0.00 C ATOM 900 O TYR A 62 5.053 4.266 3.089 1.00 0.00 O ATOM 901 CB TYR A 62 6.779 6.930 2.850 1.00 0.00 C ATOM 902 CG TYR A 62 7.719 6.592 1.691 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.955 5.275 1.356 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.332 7.605 0.982 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.840 4.956 0.266 1.00 0.00 C ATOM 906 CE2 TYR A 62 9.217 7.287 -0.108 1.00 0.00 C ATOM 907 CZ TYR A 62 9.428 5.978 -0.413 1.00 0.00 C ATOM 908 OH TYR A 62 10.264 5.678 -1.442 1.00 0.00 O ATOM 0 H TYR A 62 5.194 7.016 4.627 1.00 0.00 H new ATOM 0 HA TYR A 62 4.898 7.175 1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.864 7.993 3.075 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.105 6.389 3.738 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.476 4.483 1.912 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.148 8.636 1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.033 3.929 -0.006 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.703 8.070 -0.671 1.00 0.00 H new ATOM 0 HH TYR A 62 10.610 6.507 -1.835 1.00 0.00 H new ATOM 918 N GLY A 63 5.262 4.852 0.915 1.00 0.00 N ATOM 919 CA GLY A 63 5.167 3.488 0.423 1.00 0.00 C ATOM 920 C GLY A 63 3.708 3.082 0.208 1.00 0.00 C ATOM 921 O GLY A 63 3.428 2.072 -0.435 1.00 0.00 O ATOM 0 H GLY A 63 5.380 5.560 0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.715 3.397 -0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.636 2.808 1.134 1.00 0.00 H new ATOM 925 N ASP A 64 2.815 3.891 0.760 1.00 0.00 N ATOM 926 CA ASP A 64 1.391 3.630 0.637 1.00 0.00 C ATOM 927 C ASP A 64 0.928 4.003 -0.773 1.00 0.00 C ATOM 928 O ASP A 64 0.766 5.182 -1.085 1.00 0.00 O ATOM 929 CB ASP A 64 0.589 4.467 1.635 1.00 0.00 C ATOM 930 CG ASP A 64 -0.105 3.667 2.739 1.00 0.00 C ATOM 931 OD1 ASP A 64 -0.686 2.615 2.398 1.00 0.00 O ATOM 932 OD2 ASP A 64 -0.039 4.127 3.900 1.00 0.00 O ATOM 0 H ASP A 64 3.051 4.728 1.294 1.00 0.00 H new ATOM 0 HA ASP A 64 1.224 2.572 0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.258 5.192 2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.165 5.033 1.088 1.00 0.00 H new ATOM 937 N GLN A 65 0.728 2.977 -1.587 1.00 0.00 N ATOM 938 CA GLN A 65 0.288 3.183 -2.956 1.00 0.00 C ATOM 939 C GLN A 65 -1.141 3.730 -2.977 1.00 0.00 C ATOM 940 O GLN A 65 -2.025 3.194 -2.310 1.00 0.00 O ATOM 941 CB GLN A 65 0.391 1.889 -3.766 1.00 0.00 C ATOM 942 CG GLN A 65 0.268 2.168 -5.265 1.00 0.00 C ATOM 943 CD GLN A 65 -0.579 1.097 -5.955 1.00 0.00 C ATOM 944 OE1 GLN A 65 -0.567 -0.068 -5.594 1.00 0.00 O ATOM 945 NE2 GLN A 65 -1.312 1.555 -6.966 1.00 0.00 N ATOM 0 H GLN A 65 0.863 2.001 -1.325 1.00 0.00 H new ATOM 0 HA GLN A 65 0.945 3.918 -3.422 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.344 1.402 -3.560 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.393 1.198 -3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.182 3.148 -5.420 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.260 2.198 -5.715 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.275 2.543 -7.216 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.911 0.918 -7.491 1.00 0.00 H new ATOM 954 N LEU A 66 -1.324 4.790 -3.751 1.00 0.00 N ATOM 955 CA LEU A 66 -2.630 5.415 -3.867 1.00 0.00 C ATOM 956 C LEU A 66 -3.378 4.806 -5.055 1.00 0.00 C ATOM 957 O LEU A 66 -2.883 4.825 -6.181 1.00 0.00 O ATOM 958 CB LEU A 66 -2.491 6.937 -3.944 1.00 0.00 C ATOM 959 CG LEU A 66 -1.722 7.599 -2.798 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.566 9.102 -3.038 1.00 0.00 C ATOM 961 CD2 LEU A 66 -2.382 7.299 -1.451 1.00 0.00 C ATOM 0 H LEU A 66 -0.589 5.232 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.227 5.217 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.996 7.190 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.490 7.372 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.719 7.173 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.016 9.548 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.020 9.267 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.551 9.563 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.816 7.781 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.403 7.680 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.397 6.222 -1.285 1.00 0.00 H new ATOM 973 N LEU A 67 -4.558 4.280 -4.763 1.00 0.00 N ATOM 974 CA LEU A 67 -5.380 3.666 -5.792 1.00 0.00 C ATOM 975 C LEU A 67 -6.342 4.711 -6.361 1.00 0.00 C ATOM 976 O LEU A 67 -6.340 4.973 -7.562 1.00 0.00 O ATOM 977 CB LEU A 67 -6.078 2.418 -5.247 1.00 0.00 C ATOM 978 CG LEU A 67 -5.165 1.249 -4.873 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.952 0.143 -4.166 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.415 0.724 -6.100 1.00 0.00 C ATOM 0 H LEU A 67 -4.965 4.266 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.760 3.320 -6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.651 2.703 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.793 2.071 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.416 1.612 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.279 -0.676 -3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.401 0.541 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.737 -0.224 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.773 -0.107 -5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.132 0.382 -6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.805 1.522 -6.523 1.00 0.00 H new ATOM 992 N GLU A 68 -7.142 5.278 -5.470 1.00 0.00 N ATOM 993 CA GLU A 68 -8.108 6.288 -5.868 1.00 0.00 C ATOM 994 C GLU A 68 -8.210 7.377 -4.797 1.00 0.00 C ATOM 995 O GLU A 68 -8.102 7.092 -3.605 1.00 0.00 O ATOM 996 CB GLU A 68 -9.476 5.660 -6.143 1.00 0.00 C ATOM 997 CG GLU A 68 -9.573 5.170 -7.589 1.00 0.00 C ATOM 998 CD GLU A 68 -10.181 3.768 -7.653 1.00 0.00 C ATOM 999 OE1 GLU A 68 -11.374 3.650 -7.298 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -9.440 2.846 -8.055 1.00 0.00 O ATOM 0 H GLU A 68 -7.141 5.057 -4.474 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.763 6.748 -6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.641 4.826 -5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.261 6.391 -5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.182 5.861 -8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.581 5.161 -8.041 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.417 8.600 -5.261 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.534 9.733 -4.358 1.00 0.00 C ATOM 1009 C PHE A 69 -9.939 10.337 -4.417 1.00 0.00 C ATOM 1010 O PHE A 69 -10.290 11.006 -5.387 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.521 10.781 -4.821 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.557 12.080 -4.013 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.469 13.043 -4.314 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.676 12.272 -2.995 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.502 14.249 -3.565 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.709 13.478 -2.246 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.622 14.441 -2.546 1.00 0.00 C ATOM 0 H PHE A 69 -8.507 8.832 -6.250 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.347 9.413 -3.333 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.519 10.355 -4.761 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.706 11.012 -5.870 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.168 12.890 -5.123 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.951 11.508 -2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.226 15.014 -3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.009 13.631 -1.438 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.648 15.357 -1.975 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.703 10.081 -3.365 1.00 0.00 N ATOM 1028 CA ASN A 70 -12.061 10.592 -3.285 1.00 0.00 C ATOM 1029 C ASN A 70 -12.849 10.128 -4.512 1.00 0.00 C ATOM 1030 O ASN A 70 -13.884 10.705 -4.843 1.00 0.00 O ATOM 1031 CB ASN A 70 -12.074 12.121 -3.265 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.721 12.648 -1.982 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.193 11.899 -1.142 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.717 13.973 -1.879 1.00 0.00 N ATOM 0 H ASN A 70 -10.408 9.527 -2.561 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.509 10.216 -2.365 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.054 12.498 -3.343 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.619 12.495 -4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.126 14.422 -1.060 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.305 14.541 -2.619 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.329 9.091 -5.152 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.971 8.544 -6.335 1.00 0.00 C ATOM 1043 C GLY A 71 -12.037 8.610 -7.546 1.00 0.00 C ATOM 1044 O GLY A 71 -12.032 7.706 -8.380 1.00 0.00 O ATOM 0 H GLY A 71 -11.471 8.615 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.261 7.509 -6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.886 9.098 -6.546 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.270 9.688 -7.603 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.334 9.884 -8.697 1.00 0.00 C ATOM 1050 C ILE A 72 -9.519 8.605 -8.901 1.00 0.00 C ATOM 1051 O ILE A 72 -9.272 7.864 -7.950 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.476 11.127 -8.453 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.163 12.382 -8.995 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.072 10.947 -9.033 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.138 13.510 -7.962 1.00 0.00 C ATOM 0 H ILE A 72 -11.277 10.435 -6.909 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.870 10.073 -9.627 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.365 11.259 -7.377 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.664 12.709 -9.908 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.194 12.150 -9.261 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.483 11.845 -8.846 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.590 10.092 -8.560 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.141 10.776 -10.107 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.633 14.390 -8.372 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.659 13.189 -7.060 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.105 13.756 -7.717 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.125 8.384 -10.146 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.343 7.208 -10.486 1.00 0.00 C ATOM 1069 C ASN A 73 -6.863 7.588 -10.562 1.00 0.00 C ATOM 1070 O ASN A 73 -6.381 8.015 -11.610 1.00 0.00 O ATOM 1071 CB ASN A 73 -8.757 6.646 -11.848 1.00 0.00 C ATOM 1072 CG ASN A 73 -8.597 5.125 -11.885 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -8.993 4.411 -10.979 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -7.995 4.671 -12.981 1.00 0.00 N ATOM 0 H ASN A 73 -9.333 9.000 -10.932 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.516 6.455 -9.717 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.794 6.911 -12.055 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.150 7.098 -12.632 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.841 3.670 -13.101 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.688 5.324 -13.702 1.00 0.00 H new ATOM 1081 N LEU A 74 -6.183 7.420 -9.437 1.00 0.00 N ATOM 1082 CA LEU A 74 -4.768 7.741 -9.364 1.00 0.00 C ATOM 1083 C LEU A 74 -3.963 6.643 -10.063 1.00 0.00 C ATOM 1084 O LEU A 74 -2.849 6.884 -10.524 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.348 7.981 -7.912 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.665 9.365 -7.342 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -4.305 9.443 -5.857 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -3.979 10.464 -8.157 1.00 0.00 C ATOM 0 H LEU A 74 -6.586 7.066 -8.569 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.561 8.673 -9.891 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.833 7.232 -7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.274 7.815 -7.833 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.740 9.529 -7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.540 10.437 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.878 8.698 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.240 9.249 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.221 11.438 -7.731 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.900 10.315 -8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.328 10.423 -9.189 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.560 5.462 -10.119 1.00 0.00 N ATOM 1101 CA ARG A 75 -3.913 4.326 -10.754 1.00 0.00 C ATOM 1102 C ARG A 75 -3.391 4.718 -12.138 1.00 0.00 C ATOM 1103 O ARG A 75 -2.479 4.083 -12.665 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.880 3.149 -10.896 1.00 0.00 C ATOM 1105 CG ARG A 75 -4.712 2.160 -9.740 1.00 0.00 C ATOM 1106 CD ARG A 75 -5.745 1.034 -9.828 1.00 0.00 C ATOM 1107 NE ARG A 75 -5.066 -0.258 -10.070 1.00 0.00 N ATOM 1108 CZ ARG A 75 -4.729 -0.714 -11.285 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -5.006 0.015 -12.374 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -4.114 -1.898 -11.409 1.00 0.00 N ATOM 0 H ARG A 75 -5.485 5.267 -9.735 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.080 4.022 -10.120 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.906 3.517 -10.919 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.703 2.640 -11.844 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.707 1.739 -9.760 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.819 2.684 -8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.320 0.984 -8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.451 1.239 -10.632 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.840 -0.838 -9.262 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.473 0.917 -12.279 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.750 -0.332 -13.298 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.902 -2.452 -10.579 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.858 -2.245 -12.333 1.00 0.00 H new ATOM 1124 N SER A 76 -3.993 5.763 -12.688 1.00 0.00 N ATOM 1125 CA SER A 76 -3.601 6.247 -14.000 1.00 0.00 C ATOM 1126 C SER A 76 -3.461 7.771 -13.976 1.00 0.00 C ATOM 1127 O SER A 76 -4.030 8.464 -14.818 1.00 0.00 O ATOM 1128 CB SER A 76 -4.612 5.824 -15.068 1.00 0.00 C ATOM 1129 OG SER A 76 -3.987 5.566 -16.323 1.00 0.00 O ATOM 0 H SER A 76 -4.749 6.288 -12.248 1.00 0.00 H new ATOM 0 HA SER A 76 -2.638 5.804 -14.254 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.139 4.930 -14.735 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.360 6.608 -15.190 1.00 0.00 H new ATOM 0 HG SER A 76 -4.665 5.297 -16.977 1.00 0.00 H new ATOM 1135 N ALA A 77 -2.701 8.248 -13.001 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.480 9.676 -12.856 1.00 0.00 C ATOM 1137 C ALA A 77 -0.982 9.941 -12.683 1.00 0.00 C ATOM 1138 O ALA A 77 -0.257 9.100 -12.155 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.304 10.204 -11.680 1.00 0.00 C ATOM 0 H ALA A 77 -2.231 7.671 -12.304 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.809 10.207 -13.749 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.138 11.276 -11.571 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.362 10.018 -11.864 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.000 9.695 -10.765 1.00 0.00 H new ATOM 1145 N THR A 78 -0.565 11.113 -13.138 1.00 0.00 N ATOM 1146 CA THR A 78 0.833 11.499 -13.040 1.00 0.00 C ATOM 1147 C THR A 78 1.127 12.091 -11.661 1.00 0.00 C ATOM 1148 O THR A 78 0.237 12.180 -10.816 1.00 0.00 O ATOM 1149 CB THR A 78 1.140 12.459 -14.192 1.00 0.00 C ATOM 1150 OG1 THR A 78 0.214 13.527 -14.010 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.770 11.873 -15.556 1.00 0.00 C ATOM 0 H THR A 78 -1.170 11.808 -13.575 1.00 0.00 H new ATOM 0 HA THR A 78 1.490 10.634 -13.134 1.00 0.00 H new ATOM 0 HB THR A 78 2.200 12.712 -14.181 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.406 14.240 -14.654 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.008 12.594 -16.338 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.335 10.956 -15.723 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.297 11.651 -15.579 1.00 0.00 H new ATOM 1159 N GLU A 79 2.380 12.481 -11.475 1.00 0.00 N ATOM 1160 CA GLU A 79 2.803 13.063 -10.212 1.00 0.00 C ATOM 1161 C GLU A 79 2.277 14.494 -10.084 1.00 0.00 C ATOM 1162 O GLU A 79 1.887 14.921 -8.999 1.00 0.00 O ATOM 1163 CB GLU A 79 4.326 13.023 -10.074 1.00 0.00 C ATOM 1164 CG GLU A 79 5.006 13.378 -11.397 1.00 0.00 C ATOM 1165 CD GLU A 79 6.403 13.955 -11.158 1.00 0.00 C ATOM 1166 OE1 GLU A 79 6.492 14.920 -10.369 1.00 0.00 O ATOM 1167 OE2 GLU A 79 7.351 13.417 -11.771 1.00 0.00 O ATOM 0 H GLU A 79 3.116 12.405 -12.178 1.00 0.00 H new ATOM 0 HA GLU A 79 2.382 12.469 -9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.643 13.721 -9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.640 12.029 -9.755 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.078 12.489 -12.023 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.398 14.101 -11.940 1.00 0.00 H new ATOM 1174 N GLN A 80 2.284 15.196 -11.208 1.00 0.00 N ATOM 1175 CA GLN A 80 1.813 16.570 -11.235 1.00 0.00 C ATOM 1176 C GLN A 80 0.306 16.620 -10.973 1.00 0.00 C ATOM 1177 O GLN A 80 -0.165 17.447 -10.194 1.00 0.00 O ATOM 1178 CB GLN A 80 2.161 17.242 -12.565 1.00 0.00 C ATOM 1179 CG GLN A 80 1.429 16.569 -13.728 1.00 0.00 C ATOM 1180 CD GLN A 80 2.122 16.870 -15.059 1.00 0.00 C ATOM 1181 OE1 GLN A 80 2.333 18.011 -15.434 1.00 0.00 O ATOM 1182 NE2 GLN A 80 2.462 15.785 -15.749 1.00 0.00 N ATOM 0 H GLN A 80 2.608 14.839 -12.107 1.00 0.00 H new ATOM 0 HA GLN A 80 2.318 17.123 -10.443 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.893 18.298 -12.524 1.00 0.00 H new ATOM 0 HB3 GLN A 80 3.237 17.193 -12.731 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.396 15.492 -13.567 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.397 16.918 -13.764 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.256 14.858 -15.376 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.929 15.880 -16.651 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.408 15.724 -11.639 1.00 0.00 N ATOM 1192 CA GLN A 81 -1.851 15.656 -11.488 1.00 0.00 C ATOM 1193 C GLN A 81 -2.216 15.228 -10.065 1.00 0.00 C ATOM 1194 O GLN A 81 -3.146 15.770 -9.470 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.467 14.709 -12.520 1.00 0.00 C ATOM 1196 CG GLN A 81 -2.928 15.475 -13.761 1.00 0.00 C ATOM 1197 CD GLN A 81 -1.899 15.365 -14.888 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -1.266 16.331 -15.282 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -1.767 14.138 -15.383 1.00 0.00 N ATOM 0 H GLN A 81 -0.014 15.039 -12.284 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.262 16.650 -11.665 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.736 13.952 -12.806 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.313 14.184 -12.077 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.887 15.082 -14.100 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.085 16.524 -13.508 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.328 13.373 -15.007 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.105 13.961 -16.138 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.465 14.260 -9.561 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.698 13.753 -8.220 1.00 0.00 C ATOM 1210 C ALA A 82 -1.423 14.865 -7.205 1.00 0.00 C ATOM 1211 O ALA A 82 -2.161 15.018 -6.232 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.826 12.519 -7.982 1.00 0.00 C ATOM 0 H ALA A 82 -0.694 13.813 -10.058 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.737 13.446 -8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.001 12.139 -6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.079 11.749 -8.710 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.224 12.789 -8.090 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.361 15.612 -7.466 1.00 0.00 N ATOM 1219 CA ARG A 83 0.020 16.705 -6.587 1.00 0.00 C ATOM 1220 C ARG A 83 -1.054 17.794 -6.598 1.00 0.00 C ATOM 1221 O ARG A 83 -1.024 18.709 -5.777 1.00 0.00 O ATOM 1222 CB ARG A 83 1.358 17.313 -7.013 1.00 0.00 C ATOM 1223 CG ARG A 83 2.524 16.407 -6.614 1.00 0.00 C ATOM 1224 CD ARG A 83 3.821 16.850 -7.295 1.00 0.00 C ATOM 1225 NE ARG A 83 4.506 17.866 -6.466 1.00 0.00 N ATOM 1226 CZ ARG A 83 5.478 18.671 -6.915 1.00 0.00 C ATOM 1227 NH1 ARG A 83 5.884 18.585 -8.189 1.00 0.00 N ATOM 1228 NH2 ARG A 83 6.044 19.564 -6.091 1.00 0.00 N ATOM 0 H ARG A 83 0.248 15.482 -8.274 1.00 0.00 H new ATOM 0 HA ARG A 83 0.122 16.301 -5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.365 17.466 -8.092 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.480 18.293 -6.551 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.652 16.428 -5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.299 15.376 -6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.474 15.991 -7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.602 17.260 -8.281 1.00 0.00 H new ATOM 0 HE ARG A 83 4.220 17.959 -5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.453 17.907 -8.817 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.624 19.198 -8.531 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.735 19.631 -5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.784 20.177 -6.434 1.00 0.00 H new ATOM 1242 N LEU A 84 -1.979 17.659 -7.538 1.00 0.00 N ATOM 1243 CA LEU A 84 -3.061 18.620 -7.667 1.00 0.00 C ATOM 1244 C LEU A 84 -4.324 18.049 -7.019 1.00 0.00 C ATOM 1245 O LEU A 84 -4.926 18.687 -6.157 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.249 19.022 -9.131 1.00 0.00 C ATOM 1247 CG LEU A 84 -4.554 18.570 -9.788 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -5.763 19.212 -9.105 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -4.533 18.844 -11.294 1.00 0.00 C ATOM 0 H LEU A 84 -2.001 16.898 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.818 19.541 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.188 20.108 -9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.416 18.619 -9.708 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.647 17.492 -9.658 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.678 18.874 -9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.783 18.923 -8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.691 20.297 -9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.472 18.513 -11.737 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.406 19.913 -11.468 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.705 18.301 -11.751 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.688 16.854 -7.459 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.868 16.190 -6.932 1.00 0.00 C ATOM 1263 C ILE A 85 -5.823 16.214 -5.403 1.00 0.00 C ATOM 1264 O ILE A 85 -6.847 16.410 -4.751 1.00 0.00 O ATOM 1265 CB ILE A 85 -5.999 14.784 -7.521 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -6.044 14.831 -9.050 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -7.210 14.055 -6.935 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.430 13.567 -9.656 1.00 0.00 C ATOM 0 H ILE A 85 -4.187 16.328 -8.175 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.770 16.723 -7.232 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.113 14.214 -7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.076 14.934 -9.384 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.505 15.709 -9.406 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.280 13.058 -7.370 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.097 13.972 -5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.117 14.615 -7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.475 13.626 -10.743 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.391 13.480 -9.340 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.987 12.693 -9.317 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.624 16.013 -4.875 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.432 16.009 -3.435 1.00 0.00 C ATOM 1282 C ILE A 86 -4.412 17.451 -2.924 1.00 0.00 C ATOM 1283 O ILE A 86 -4.827 17.721 -1.798 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.183 15.207 -3.063 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.911 15.953 -3.471 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.238 13.799 -3.659 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.691 15.031 -3.410 1.00 0.00 C ATOM 0 H ILE A 86 -3.776 15.852 -5.419 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.264 15.507 -2.941 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.158 15.097 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.024 16.346 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.759 16.807 -2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.339 13.250 -3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.115 13.276 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.299 13.866 -4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.200 15.586 -3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.567 14.659 -2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.836 14.191 -4.089 1.00 0.00 H new ATOM 1299 N GLY A 87 -3.923 18.340 -3.777 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.843 19.748 -3.426 1.00 0.00 C ATOM 1301 C GLY A 87 -5.127 20.484 -3.815 1.00 0.00 C ATOM 1302 O GLY A 87 -5.108 21.692 -4.048 1.00 0.00 O ATOM 0 H GLY A 87 -3.578 18.112 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.671 19.850 -2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.991 20.204 -3.930 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.211 19.726 -3.874 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.501 20.291 -4.232 1.00 0.00 C ATOM 1308 C GLN A 88 -8.256 20.727 -2.974 1.00 0.00 C ATOM 1309 O GLN A 88 -7.709 20.693 -1.874 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.327 19.297 -5.050 1.00 0.00 C ATOM 1311 CG GLN A 88 -8.017 19.425 -6.543 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.302 19.408 -7.374 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -10.048 20.372 -7.430 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.518 18.262 -8.014 1.00 0.00 N ATOM 0 H GLN A 88 -6.223 18.725 -3.680 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.331 21.170 -4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.115 18.281 -4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.389 19.473 -4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.473 20.352 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.367 18.607 -6.855 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.853 17.494 -7.924 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.349 18.151 -8.595 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.503 21.127 -3.180 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.339 21.569 -2.077 1.00 0.00 C ATOM 1325 C GLN A 89 -11.384 20.503 -1.743 1.00 0.00 C ATOM 1326 O GLN A 89 -11.879 19.813 -2.633 1.00 0.00 O ATOM 1327 CB GLN A 89 -11.004 22.909 -2.396 1.00 0.00 C ATOM 1328 CG GLN A 89 -11.310 23.027 -3.891 1.00 0.00 C ATOM 1329 CD GLN A 89 -12.153 21.844 -4.373 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -13.209 21.544 -3.842 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -11.628 21.192 -5.406 1.00 0.00 N ATOM 0 H GLN A 89 -9.954 21.154 -4.094 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.706 21.715 -1.202 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.926 23.007 -1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.350 23.726 -2.089 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.841 23.959 -4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.378 23.068 -4.455 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.739 21.497 -5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.114 20.387 -5.802 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.690 20.402 -0.457 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.668 19.432 0.005 1.00 0.00 C ATOM 1342 C CYS A 90 -12.525 19.292 1.522 1.00 0.00 C ATOM 1343 O CYS A 90 -11.584 18.665 2.006 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.512 18.087 -0.709 1.00 0.00 C ATOM 1345 SG CYS A 90 -13.815 17.900 -1.981 1.00 0.00 S ATOM 0 H CYS A 90 -11.278 20.976 0.279 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.672 19.782 -0.234 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.528 18.024 -1.173 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.577 17.273 0.013 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.570 18.701 -2.975 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.474 19.887 2.231 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.466 19.837 3.683 1.00 0.00 C ATOM 1353 C ASP A 91 -13.116 18.418 4.138 1.00 0.00 C ATOM 1354 O ASP A 91 -12.327 18.236 5.063 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.840 20.191 4.254 1.00 0.00 C ATOM 1356 CG ASP A 91 -15.115 21.689 4.395 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -15.476 22.300 3.366 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -14.957 22.191 5.529 1.00 0.00 O ATOM 0 H ASP A 91 -14.253 20.406 1.826 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.730 20.557 4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.606 19.755 3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.941 19.725 5.234 1.00 0.00 H new ATOM 1363 N THR A 92 -13.721 17.450 3.466 1.00 0.00 N ATOM 1364 CA THR A 92 -13.483 16.053 3.789 1.00 0.00 C ATOM 1365 C THR A 92 -13.294 15.234 2.511 1.00 0.00 C ATOM 1366 O THR A 92 -14.173 15.206 1.651 1.00 0.00 O ATOM 1367 CB THR A 92 -14.645 15.565 4.657 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.776 16.569 5.659 1.00 0.00 O ATOM 1369 CG2 THR A 92 -14.297 14.298 5.442 1.00 0.00 C ATOM 0 H THR A 92 -14.376 17.605 2.699 1.00 0.00 H new ATOM 0 HA THR A 92 -12.560 15.930 4.355 1.00 0.00 H new ATOM 0 HB THR A 92 -15.514 15.375 4.027 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.509 16.333 6.265 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.155 13.994 6.041 1.00 0.00 H new ATOM 0 HG22 THR A 92 -14.038 13.499 4.747 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.449 14.497 6.097 1.00 0.00 H new ATOM 1377 N ILE A 93 -12.141 14.588 2.426 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.824 13.770 1.267 1.00 0.00 C ATOM 1379 C ILE A 93 -11.327 12.401 1.735 1.00 0.00 C ATOM 1380 O ILE A 93 -10.654 12.297 2.759 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.843 14.500 0.348 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -10.018 13.507 -0.473 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -9.957 15.460 1.145 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.741 13.109 0.269 1.00 0.00 C ATOM 0 H ILE A 93 -11.414 14.614 3.141 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.717 13.597 0.667 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.418 15.101 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.614 12.618 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.761 13.950 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.269 15.966 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.581 16.199 1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.389 14.899 1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.173 12.403 -0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.136 13.997 0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.002 12.644 1.219 1.00 0.00 H new ATOM 1396 N THR A 94 -11.678 11.384 0.961 1.00 0.00 N ATOM 1397 CA THR A 94 -11.276 10.025 1.283 1.00 0.00 C ATOM 1398 C THR A 94 -10.171 9.557 0.335 1.00 0.00 C ATOM 1399 O THR A 94 -10.056 10.055 -0.785 1.00 0.00 O ATOM 1400 CB THR A 94 -12.524 9.141 1.246 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.541 9.952 1.827 1.00 0.00 O ATOM 1402 CG2 THR A 94 -12.419 7.941 2.189 1.00 0.00 C ATOM 0 H THR A 94 -12.236 11.474 0.112 1.00 0.00 H new ATOM 0 HA THR A 94 -10.848 9.966 2.284 1.00 0.00 H new ATOM 0 HB THR A 94 -12.690 8.789 0.228 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.386 9.456 1.841 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.330 7.347 2.124 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.565 7.327 1.903 1.00 0.00 H new ATOM 0 HG23 THR A 94 -12.287 8.293 3.212 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.385 8.606 0.816 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.293 8.065 0.025 1.00 0.00 C ATOM 1412 C ILE A 95 -8.329 6.537 0.091 1.00 0.00 C ATOM 1413 O ILE A 95 -8.608 5.964 1.143 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.959 8.668 0.470 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -6.958 10.188 0.292 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.787 8.006 -0.259 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.680 10.806 0.863 1.00 0.00 C ATOM 0 H ILE A 95 -9.483 8.196 1.745 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.408 8.342 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.832 8.467 1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.044 10.434 -0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.828 10.617 0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.851 8.453 0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.778 6.938 -0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.896 8.154 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.705 11.887 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.610 10.579 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.814 10.393 0.346 1.00 0.00 H new ATOM 1429 N LEU A 96 -8.042 5.920 -1.046 1.00 0.00 N ATOM 1430 CA LEU A 96 -8.039 4.470 -1.131 1.00 0.00 C ATOM 1431 C LEU A 96 -6.603 3.978 -1.322 1.00 0.00 C ATOM 1432 O LEU A 96 -6.161 3.762 -2.450 1.00 0.00 O ATOM 1433 CB LEU A 96 -9.002 3.994 -2.220 1.00 0.00 C ATOM 1434 CG LEU A 96 -9.041 2.485 -2.468 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -9.433 1.730 -1.197 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.961 2.146 -3.643 1.00 0.00 C ATOM 0 H LEU A 96 -7.810 6.399 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.406 4.034 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.007 4.325 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.736 4.489 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.037 2.158 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.453 0.660 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.705 1.936 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.421 2.056 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.971 1.067 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.972 2.490 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.597 2.639 -4.544 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.913 3.815 -0.203 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.535 3.353 -0.233 1.00 0.00 C ATOM 1450 C ALA A 97 -4.515 1.823 -0.225 1.00 0.00 C ATOM 1451 O ALA A 97 -5.543 1.186 0.000 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.770 3.952 0.948 1.00 0.00 C ATOM 0 H ALA A 97 -6.282 3.995 0.731 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.038 3.685 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.737 3.606 0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.790 5.040 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.238 3.638 1.881 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.334 1.277 -0.475 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.166 -0.166 -0.500 1.00 0.00 C ATOM 1460 C GLN A 98 -1.690 -0.532 -0.335 1.00 0.00 C ATOM 1461 O GLN A 98 -1.008 -0.833 -1.314 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.739 -0.762 -1.787 1.00 0.00 C ATOM 1463 CG GLN A 98 -3.808 -2.288 -1.701 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.226 -2.895 -3.042 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -3.882 -2.408 -4.107 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -4.985 -3.981 -2.931 1.00 0.00 N ATOM 0 H GLN A 98 -2.484 1.808 -0.662 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.720 -0.591 0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.736 -0.359 -1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.119 -0.470 -2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.836 -2.683 -1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.519 -2.580 -0.928 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.236 -4.336 -2.008 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.316 -4.460 -3.769 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.239 -0.494 0.910 1.00 0.00 N ATOM 1476 CA TYR A 99 0.145 -0.817 1.215 1.00 0.00 C ATOM 1477 C TYR A 99 0.642 -1.973 0.344 1.00 0.00 C ATOM 1478 O TYR A 99 0.022 -3.034 0.301 1.00 0.00 O ATOM 1479 CB TYR A 99 0.162 -1.255 2.681 1.00 0.00 C ATOM 1480 CG TYR A 99 1.544 -1.670 3.190 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.098 -2.867 2.784 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.236 -0.847 4.055 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.399 -3.257 3.264 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.536 -1.237 4.535 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.054 -2.423 4.115 1.00 0.00 C ATOM 1486 OH TYR A 99 5.282 -2.792 4.568 1.00 0.00 O ATOM 0 H TYR A 99 -1.807 -0.245 1.720 1.00 0.00 H new ATOM 0 HA TYR A 99 0.790 0.041 1.027 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.211 -0.438 3.298 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.527 -2.090 2.808 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.557 -3.511 2.107 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.802 0.090 4.372 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.844 -4.191 2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.088 -0.603 5.213 1.00 0.00 H new ATOM 0 HH TYR A 99 5.631 -2.099 5.167 1.00 0.00 H new ATOM 1496 N ASN A 100 1.757 -1.727 -0.328 1.00 0.00 N ATOM 1497 CA ASN A 100 2.345 -2.734 -1.196 1.00 0.00 C ATOM 1498 C ASN A 100 3.850 -2.814 -0.929 1.00 0.00 C ATOM 1499 O ASN A 100 4.578 -1.852 -1.166 1.00 0.00 O ATOM 1500 CB ASN A 100 2.144 -2.377 -2.670 1.00 0.00 C ATOM 1501 CG ASN A 100 2.102 -3.635 -3.538 1.00 0.00 C ATOM 1502 OD1 ASN A 100 2.602 -4.688 -3.177 1.00 0.00 O ATOM 1503 ND2 ASN A 100 1.478 -3.469 -4.701 1.00 0.00 N ATOM 0 H ASN A 100 2.269 -0.846 -0.289 1.00 0.00 H new ATOM 0 HA ASN A 100 1.857 -3.686 -0.987 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.216 -1.818 -2.789 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.953 -1.727 -3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.396 -4.250 -5.352 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.081 -2.561 -4.942 1.00 0.00 H new ATOM 1510 N PRO A 101 4.282 -4.002 -0.428 1.00 0.00 N ATOM 1511 CA PRO A 101 5.687 -4.221 -0.127 1.00 0.00 C ATOM 1512 C PRO A 101 6.496 -4.428 -1.409 1.00 0.00 C ATOM 1513 O PRO A 101 7.193 -5.432 -1.553 1.00 0.00 O ATOM 1514 CB PRO A 101 5.709 -5.432 0.791 1.00 0.00 C ATOM 1515 CG PRO A 101 4.370 -6.126 0.598 1.00 0.00 C ATOM 1516 CD PRO A 101 3.448 -5.165 -0.136 1.00 0.00 C ATOM 0 HA PRO A 101 6.152 -3.362 0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.534 -6.098 0.539 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.847 -5.132 1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.496 -7.046 0.027 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.942 -6.405 1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.057 -5.612 -1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.590 -4.893 0.478 1.00 0.00 H new