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 78 THR OG1 : rot -90:sc= -3.42! USER MOD Set 1.2: A 81 GLN : amide:sc= -3.02! K(o=-6.4!,f=-0.49) USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 47 SER OG : rot 180:sc=-0.00285 USER MOD Single : A 22 HIS : no HD1:sc= -6.9! C(o=-6.9!,f=-8.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc=-0.00746 X(o=-0.0075,f=-0.018) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 0.851 (180deg=0.475) 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 USER MOD Single : A 53 SER OG : rot 150:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -3.5 X(o=-3.5,f=-3.6) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0851 X(o=-0.085,f=0) USER MOD Single : A 70 ASN : amide:sc= -3.63! C(o=-3.6!,f=-6.2!) USER MOD Single : A 73 ASN : amide:sc= -0.635 K(o=-0.64,f=-5.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.032 K(o=-0.032,f=-0.63) USER MOD Single : A 88 GLN : amide:sc= -0.607 K(o=-0.61,f=-2.7!) USER MOD Single : A 89 GLN : amide:sc= -3.07! C(o=-3.1!,f=-2.8!) USER MOD Single : A 90 CYS SG : rot 61:sc= -0.339 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0561 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -2.88! C(o=-2.9!,f=-3.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.017 K(o=-0.017,f=-3) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -2.151 -9.335 -1.304 1.00 0.00 N ATOM 230 CA VAL A 17 -1.472 -8.128 -0.864 1.00 0.00 C ATOM 231 C VAL A 17 -2.404 -7.326 0.046 1.00 0.00 C ATOM 232 O VAL A 17 -3.619 -7.514 0.016 1.00 0.00 O ATOM 233 CB VAL A 17 -0.988 -7.329 -2.076 1.00 0.00 C ATOM 234 CG1 VAL A 17 -2.167 -6.710 -2.831 1.00 0.00 C ATOM 235 CG2 VAL A 17 0.020 -6.257 -1.659 1.00 0.00 C ATOM 0 HA VAL A 17 -0.586 -8.380 -0.281 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.482 -8.019 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.796 -6.148 -3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.833 -7.501 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.713 -6.040 -2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.348 -5.704 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.449 -5.571 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.881 -6.731 -1.187 1.00 0.00 H new ATOM 245 N GLU A 18 -1.799 -6.451 0.835 1.00 0.00 N ATOM 246 CA GLU A 18 -2.560 -5.620 1.753 1.00 0.00 C ATOM 247 C GLU A 18 -3.753 -4.988 1.033 1.00 0.00 C ATOM 248 O GLU A 18 -3.580 -4.100 0.199 1.00 0.00 O ATOM 249 CB GLU A 18 -1.672 -4.548 2.388 1.00 0.00 C ATOM 250 CG GLU A 18 -0.459 -5.178 3.076 1.00 0.00 C ATOM 251 CD GLU A 18 -0.618 -5.152 4.598 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.476 -4.048 5.165 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.878 -6.238 5.159 1.00 0.00 O ATOM 0 H GLU A 18 -0.791 -6.299 0.858 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.939 -6.253 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.337 -3.848 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.249 -3.975 3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.337 -6.207 2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.445 -4.640 2.792 1.00 0.00 H new ATOM 260 N GLU A 19 -4.937 -5.470 1.381 1.00 0.00 N ATOM 261 CA GLU A 19 -6.158 -4.963 0.778 1.00 0.00 C ATOM 262 C GLU A 19 -6.159 -3.433 0.788 1.00 0.00 C ATOM 263 O GLU A 19 -5.479 -2.814 1.604 1.00 0.00 O ATOM 264 CB GLU A 19 -7.392 -5.517 1.492 1.00 0.00 C ATOM 265 CG GLU A 19 -7.492 -4.972 2.918 1.00 0.00 C ATOM 266 CD GLU A 19 -7.323 -6.092 3.947 1.00 0.00 C ATOM 267 OE1 GLU A 19 -7.871 -7.185 3.690 1.00 0.00 O ATOM 268 OE2 GLU A 19 -6.649 -5.829 4.966 1.00 0.00 O ATOM 0 H GLU A 19 -5.077 -6.206 2.073 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.196 -5.300 -0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.290 -5.251 0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.343 -6.606 1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.727 -4.211 3.075 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.458 -4.487 3.059 1.00 0.00 H new ATOM 275 N PRO A 20 -6.951 -2.854 -0.154 1.00 0.00 N ATOM 276 CA PRO A 20 -7.050 -1.408 -0.261 1.00 0.00 C ATOM 277 C PRO A 20 -7.909 -0.832 0.866 1.00 0.00 C ATOM 278 O PRO A 20 -9.065 -1.218 1.030 1.00 0.00 O ATOM 279 CB PRO A 20 -7.634 -1.155 -1.642 1.00 0.00 C ATOM 280 CG PRO A 20 -8.271 -2.467 -2.071 1.00 0.00 C ATOM 281 CD PRO A 20 -7.770 -3.556 -1.137 1.00 0.00 C ATOM 0 HA PRO A 20 -6.086 -0.911 -0.154 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.372 -0.353 -1.613 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.858 -0.849 -2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.358 -2.396 -2.026 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.009 -2.699 -3.103 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.598 -4.080 -0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.188 -4.303 -1.676 1.00 0.00 H new ATOM 289 N ARG A 21 -7.310 0.083 1.614 1.00 0.00 N ATOM 290 CA ARG A 21 -8.006 0.717 2.722 1.00 0.00 C ATOM 291 C ARG A 21 -8.445 2.130 2.334 1.00 0.00 C ATOM 292 O ARG A 21 -7.907 2.716 1.395 1.00 0.00 O ATOM 293 CB ARG A 21 -7.114 0.790 3.963 1.00 0.00 C ATOM 294 CG ARG A 21 -6.119 1.947 3.856 1.00 0.00 C ATOM 295 CD ARG A 21 -4.746 1.542 4.395 1.00 0.00 C ATOM 296 NE ARG A 21 -4.329 0.253 3.799 1.00 0.00 N ATOM 297 CZ ARG A 21 -3.426 -0.571 4.348 1.00 0.00 C ATOM 298 NH1 ARG A 21 -2.840 -0.247 5.508 1.00 0.00 N ATOM 299 NH2 ARG A 21 -3.109 -1.721 3.736 1.00 0.00 N ATOM 0 H ARG A 21 -6.351 0.401 1.475 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.882 0.111 2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.732 0.918 4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.574 -0.149 4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.028 2.258 2.815 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.493 2.806 4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.013 2.314 4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.784 1.455 5.481 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.756 -0.025 2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.081 0.628 5.974 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.153 -0.875 5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.555 -1.968 2.853 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.422 -2.348 4.154 1.00 0.00 H new ATOM 313 N HIS A 22 -9.418 2.638 3.076 1.00 0.00 N ATOM 314 CA HIS A 22 -9.936 3.971 2.821 1.00 0.00 C ATOM 315 C HIS A 22 -9.653 4.870 4.026 1.00 0.00 C ATOM 316 O HIS A 22 -10.250 4.697 5.088 1.00 0.00 O ATOM 317 CB HIS A 22 -11.421 3.917 2.457 1.00 0.00 C ATOM 318 CG HIS A 22 -11.728 3.052 1.258 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.186 1.790 1.086 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.528 3.278 0.177 1.00 0.00 C ATOM 321 CE1 HIS A 22 -11.644 1.290 -0.053 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.475 2.214 -0.615 1.00 0.00 N ATOM 0 H HIS A 22 -9.861 2.150 3.854 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.427 4.404 1.960 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.981 3.544 3.314 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.774 4.930 2.262 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.107 4.172 -0.004 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.402 0.321 -0.464 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -12.974 2.105 -1.498 1.00 0.00 H new ATOM 330 N VAL A 23 -8.743 5.811 3.822 1.00 0.00 N ATOM 331 CA VAL A 23 -8.373 6.737 4.878 1.00 0.00 C ATOM 332 C VAL A 23 -9.086 8.072 4.652 1.00 0.00 C ATOM 333 O VAL A 23 -8.992 8.656 3.573 1.00 0.00 O ATOM 334 CB VAL A 23 -6.851 6.876 4.944 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.448 8.135 5.716 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.213 5.629 5.558 1.00 0.00 C ATOM 0 H VAL A 23 -8.251 5.952 2.940 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.693 6.357 5.848 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.479 6.975 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.361 8.210 5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.858 9.014 5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.838 8.079 6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.131 5.754 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.595 5.485 6.569 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.458 4.758 4.950 1.00 0.00 H new ATOM 346 N LYS A 24 -9.784 8.517 5.687 1.00 0.00 N ATOM 347 CA LYS A 24 -10.512 9.772 5.615 1.00 0.00 C ATOM 348 C LYS A 24 -9.572 10.924 5.976 1.00 0.00 C ATOM 349 O LYS A 24 -8.631 10.743 6.747 1.00 0.00 O ATOM 350 CB LYS A 24 -11.771 9.711 6.482 1.00 0.00 C ATOM 351 CG LYS A 24 -13.013 9.444 5.628 1.00 0.00 C ATOM 352 CD LYS A 24 -14.291 9.598 6.455 1.00 0.00 C ATOM 353 CE LYS A 24 -15.518 9.718 5.549 1.00 0.00 C ATOM 354 NZ LYS A 24 -16.722 9.200 6.237 1.00 0.00 N ATOM 0 H LYS A 24 -9.861 8.030 6.580 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.861 9.952 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.664 8.925 7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.891 10.651 7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.035 10.136 4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.964 8.437 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.406 8.740 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.214 10.482 7.089 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.671 10.761 5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.352 9.162 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.546 9.289 5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.579 8.199 6.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.888 9.748 7.105 1.00 0.00 H new ATOM 368 N VAL A 25 -9.860 12.082 5.402 1.00 0.00 N ATOM 369 CA VAL A 25 -9.052 13.264 5.654 1.00 0.00 C ATOM 370 C VAL A 25 -9.970 14.449 5.956 1.00 0.00 C ATOM 371 O VAL A 25 -10.938 14.689 5.236 1.00 0.00 O ATOM 372 CB VAL A 25 -8.115 13.519 4.471 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.067 14.578 4.820 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.451 12.221 4.008 1.00 0.00 C ATOM 0 H VAL A 25 -10.642 12.228 4.763 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.417 13.114 6.527 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.714 13.901 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.414 14.740 3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.566 15.512 5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.474 14.237 5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.790 12.430 3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.871 11.796 4.828 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.218 11.510 3.699 1.00 0.00 H new ATOM 384 N GLN A 26 -9.634 15.160 7.023 1.00 0.00 N ATOM 385 CA GLN A 26 -10.416 16.315 7.429 1.00 0.00 C ATOM 386 C GLN A 26 -9.629 17.604 7.181 1.00 0.00 C ATOM 387 O GLN A 26 -9.148 18.233 8.122 1.00 0.00 O ATOM 388 CB GLN A 26 -10.836 16.204 8.896 1.00 0.00 C ATOM 389 CG GLN A 26 -12.338 15.936 9.017 1.00 0.00 C ATOM 390 CD GLN A 26 -12.925 16.650 10.236 1.00 0.00 C ATOM 391 OE1 GLN A 26 -12.354 16.666 11.314 1.00 0.00 O ATOM 392 NE2 GLN A 26 -14.096 17.238 10.006 1.00 0.00 N ATOM 0 H GLN A 26 -8.831 14.958 7.618 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.323 16.345 6.826 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.279 15.400 9.378 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.584 17.125 9.421 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.845 16.274 8.114 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.514 14.864 9.099 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.519 17.186 9.079 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.570 17.741 10.756 1.00 0.00 H new ATOM 401 N LYS A 27 -9.522 17.958 5.908 1.00 0.00 N ATOM 402 CA LYS A 27 -8.801 19.160 5.524 1.00 0.00 C ATOM 403 C LYS A 27 -9.394 20.362 6.262 1.00 0.00 C ATOM 404 O LYS A 27 -8.808 20.854 7.225 1.00 0.00 O ATOM 405 CB LYS A 27 -8.792 19.315 4.002 1.00 0.00 C ATOM 406 CG LYS A 27 -8.132 18.108 3.331 1.00 0.00 C ATOM 407 CD LYS A 27 -6.886 18.529 2.550 1.00 0.00 C ATOM 408 CE LYS A 27 -6.675 17.630 1.330 1.00 0.00 C ATOM 409 NZ LYS A 27 -6.007 18.381 0.243 1.00 0.00 N ATOM 0 H LYS A 27 -9.922 17.434 5.130 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.754 19.089 5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.814 19.424 3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.257 20.225 3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.860 17.371 4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.842 17.628 2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.986 19.566 2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.011 18.479 3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.071 16.766 1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.635 17.249 0.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.600 17.712 -0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.702 18.988 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.250 18.971 0.643 1.00 0.00 H new ATOM 423 N GLY A 28 -10.548 20.800 5.782 1.00 0.00 N ATOM 424 CA GLY A 28 -11.227 21.935 6.383 1.00 0.00 C ATOM 425 C GLY A 28 -10.873 23.234 5.655 1.00 0.00 C ATOM 426 O GLY A 28 -11.747 23.893 5.095 1.00 0.00 O ATOM 0 H GLY A 28 -11.031 20.389 4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.305 21.778 6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.949 22.015 7.434 1.00 0.00 H new ATOM 430 N SER A 29 -9.590 23.563 5.688 1.00 0.00 N ATOM 431 CA SER A 29 -9.111 24.770 5.038 1.00 0.00 C ATOM 432 C SER A 29 -7.591 24.709 4.875 1.00 0.00 C ATOM 433 O SER A 29 -6.915 25.735 4.927 1.00 0.00 O ATOM 434 CB SER A 29 -9.509 26.017 5.830 1.00 0.00 C ATOM 435 OG SER A 29 -9.309 25.847 7.230 1.00 0.00 O ATOM 0 H SER A 29 -8.868 23.014 6.155 1.00 0.00 H new ATOM 0 HA SER A 29 -9.574 24.834 4.053 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.926 26.869 5.481 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.557 26.248 5.639 1.00 0.00 H new ATOM 0 HG SER A 29 -9.573 26.665 7.700 1.00 0.00 H new ATOM 441 N GLU A 30 -7.097 23.495 4.681 1.00 0.00 N ATOM 442 CA GLU A 30 -5.669 23.286 4.510 1.00 0.00 C ATOM 443 C GLU A 30 -5.414 22.130 3.541 1.00 0.00 C ATOM 444 O GLU A 30 -6.280 21.279 3.343 1.00 0.00 O ATOM 445 CB GLU A 30 -4.987 23.033 5.857 1.00 0.00 C ATOM 446 CG GLU A 30 -4.587 24.350 6.524 1.00 0.00 C ATOM 447 CD GLU A 30 -3.077 24.576 6.432 1.00 0.00 C ATOM 448 OE1 GLU A 30 -2.341 23.591 6.660 1.00 0.00 O ATOM 449 OE2 GLU A 30 -2.692 25.727 6.135 1.00 0.00 O ATOM 0 H GLU A 30 -7.660 22.646 4.638 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.237 24.192 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.660 22.479 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.103 22.412 5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.112 25.177 6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.893 24.340 7.570 1.00 0.00 H new ATOM 456 N PRO A 31 -4.190 22.136 2.948 1.00 0.00 N ATOM 457 CA PRO A 31 -3.810 21.099 2.004 1.00 0.00 C ATOM 458 C PRO A 31 -3.491 19.790 2.728 1.00 0.00 C ATOM 459 O PRO A 31 -3.512 19.734 3.957 1.00 0.00 O ATOM 460 CB PRO A 31 -2.618 21.668 1.252 1.00 0.00 C ATOM 461 CG PRO A 31 -2.087 22.803 2.113 1.00 0.00 C ATOM 462 CD PRO A 31 -3.140 23.128 3.159 1.00 0.00 C ATOM 0 HA PRO A 31 -4.614 20.844 1.313 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.855 20.906 1.096 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.914 22.030 0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.151 22.514 2.591 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.874 23.679 1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.730 23.063 4.167 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.522 24.141 3.035 1.00 0.00 H new ATOM 470 N LEU A 32 -3.201 18.768 1.936 1.00 0.00 N ATOM 471 CA LEU A 32 -2.877 17.463 2.486 1.00 0.00 C ATOM 472 C LEU A 32 -1.470 17.501 3.083 1.00 0.00 C ATOM 473 O LEU A 32 -1.277 17.161 4.250 1.00 0.00 O ATOM 474 CB LEU A 32 -3.067 16.373 1.428 1.00 0.00 C ATOM 475 CG LEU A 32 -3.235 14.947 1.956 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.338 14.881 3.014 1.00 0.00 C ATOM 477 CD2 LEU A 32 -3.479 13.963 0.810 1.00 0.00 C ATOM 0 H LEU A 32 -3.184 18.818 0.917 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.561 17.211 3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.944 16.623 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.208 16.392 0.757 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.305 14.650 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.437 13.857 3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.082 15.534 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.282 15.205 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.595 12.957 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.385 14.246 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.631 13.984 0.125 1.00 0.00 H new ATOM 489 N GLY A 33 -0.521 17.917 2.257 1.00 0.00 N ATOM 490 CA GLY A 33 0.863 18.004 2.689 1.00 0.00 C ATOM 491 C GLY A 33 1.552 16.641 2.599 1.00 0.00 C ATOM 492 O GLY A 33 1.978 16.089 3.613 1.00 0.00 O ATOM 0 H GLY A 33 -0.684 18.198 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.396 18.726 2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.905 18.370 3.715 1.00 0.00 H new ATOM 496 N ILE A 34 1.641 16.138 1.377 1.00 0.00 N ATOM 497 CA ILE A 34 2.271 14.851 1.141 1.00 0.00 C ATOM 498 C ILE A 34 2.947 14.862 -0.231 1.00 0.00 C ATOM 499 O ILE A 34 2.430 15.454 -1.177 1.00 0.00 O ATOM 500 CB ILE A 34 1.258 13.718 1.318 1.00 0.00 C ATOM 501 CG1 ILE A 34 -0.005 13.978 0.494 1.00 0.00 C ATOM 502 CG2 ILE A 34 0.940 13.492 2.798 1.00 0.00 C ATOM 503 CD1 ILE A 34 -0.386 12.745 -0.328 1.00 0.00 C ATOM 0 H ILE A 34 1.287 16.599 0.539 1.00 0.00 H new ATOM 0 HA ILE A 34 3.052 14.668 1.880 1.00 0.00 H new ATOM 0 HB ILE A 34 1.705 12.798 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.828 14.246 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.158 14.826 -0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.218 12.682 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.854 13.229 3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.521 14.404 3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.287 12.956 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.429 12.494 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.572 11.905 0.341 1.00 0.00 H new ATOM 515 N SER A 35 4.093 14.200 -0.296 1.00 0.00 N ATOM 516 CA SER A 35 4.846 14.127 -1.537 1.00 0.00 C ATOM 517 C SER A 35 4.460 12.864 -2.309 1.00 0.00 C ATOM 518 O SER A 35 4.157 11.833 -1.709 1.00 0.00 O ATOM 519 CB SER A 35 6.352 14.146 -1.270 1.00 0.00 C ATOM 520 OG SER A 35 7.088 14.617 -2.396 1.00 0.00 O ATOM 0 H SER A 35 4.518 13.709 0.491 1.00 0.00 H new ATOM 0 HA SER A 35 4.600 15.003 -2.138 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.560 14.782 -0.409 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.687 13.141 -1.012 1.00 0.00 H new ATOM 0 HG SER A 35 8.045 14.616 -2.185 1.00 0.00 H new ATOM 526 N ILE A 36 4.483 12.985 -3.628 1.00 0.00 N ATOM 527 CA ILE A 36 4.139 11.865 -4.489 1.00 0.00 C ATOM 528 C ILE A 36 5.154 11.774 -5.629 1.00 0.00 C ATOM 529 O ILE A 36 5.832 12.751 -5.942 1.00 0.00 O ATOM 530 CB ILE A 36 2.689 11.981 -4.964 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.468 13.281 -5.740 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.715 11.840 -3.793 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.786 13.093 -7.225 1.00 0.00 C ATOM 0 H ILE A 36 4.734 13.841 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 36 4.195 10.927 -3.936 1.00 0.00 H new ATOM 0 HB ILE A 36 2.488 11.158 -5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.434 13.607 -5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.099 14.068 -5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.692 11.926 -4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.851 10.867 -3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.907 12.626 -3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.621 14.032 -7.754 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.827 12.791 -7.339 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.137 12.323 -7.641 1.00 0.00 H new ATOM 545 N VAL A 37 5.228 10.590 -6.220 1.00 0.00 N ATOM 546 CA VAL A 37 6.149 10.358 -7.319 1.00 0.00 C ATOM 547 C VAL A 37 5.515 9.383 -8.314 1.00 0.00 C ATOM 548 O VAL A 37 4.730 8.519 -7.926 1.00 0.00 O ATOM 549 CB VAL A 37 7.495 9.869 -6.780 1.00 0.00 C ATOM 550 CG1 VAL A 37 7.941 10.706 -5.579 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.435 8.383 -6.420 1.00 0.00 C ATOM 0 H VAL A 37 4.665 9.781 -5.958 1.00 0.00 H new ATOM 0 HA VAL A 37 6.346 11.287 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 37 8.237 9.993 -7.569 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.900 10.338 -5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.043 11.749 -5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.198 10.629 -4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.405 8.061 -6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.674 8.224 -5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.183 7.803 -7.308 1.00 0.00 H new ATOM 561 N SER A 38 5.879 9.555 -9.576 1.00 0.00 N ATOM 562 CA SER A 38 5.355 8.702 -10.629 1.00 0.00 C ATOM 563 C SER A 38 6.388 7.637 -11.002 1.00 0.00 C ATOM 564 O SER A 38 7.591 7.874 -10.906 1.00 0.00 O ATOM 565 CB SER A 38 4.968 9.522 -11.861 1.00 0.00 C ATOM 566 OG SER A 38 4.557 8.694 -12.946 1.00 0.00 O ATOM 0 H SER A 38 6.531 10.273 -9.893 1.00 0.00 H new ATOM 0 HA SER A 38 4.456 8.212 -10.256 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.161 10.207 -11.602 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.816 10.132 -12.172 1.00 0.00 H new ATOM 0 HG SER A 38 4.317 9.255 -13.713 1.00 0.00 H new ATOM 572 N GLY A 39 5.881 6.487 -11.421 1.00 0.00 N ATOM 573 CA GLY A 39 6.745 5.385 -11.809 1.00 0.00 C ATOM 574 C GLY A 39 6.490 4.973 -13.260 1.00 0.00 C ATOM 575 O GLY A 39 5.720 5.622 -13.967 1.00 0.00 O ATOM 0 H GLY A 39 4.883 6.294 -11.500 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.788 5.676 -11.688 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.573 4.534 -11.150 1.00 0.00 H new ATOM 623 N GLY A 43 1.707 3.701 -11.232 1.00 0.00 N ATOM 624 CA GLY A 43 0.814 4.526 -10.437 1.00 0.00 C ATOM 625 C GLY A 43 1.598 5.569 -9.638 1.00 0.00 C ATOM 626 O GLY A 43 2.792 5.763 -9.866 1.00 0.00 O ATOM 0 HA2 GLY A 43 0.097 5.025 -11.089 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.241 3.896 -9.756 1.00 0.00 H new ATOM 630 N ILE A 44 0.896 6.214 -8.718 1.00 0.00 N ATOM 631 CA ILE A 44 1.512 7.232 -7.884 1.00 0.00 C ATOM 632 C ILE A 44 1.894 6.618 -6.536 1.00 0.00 C ATOM 633 O ILE A 44 1.135 5.834 -5.969 1.00 0.00 O ATOM 634 CB ILE A 44 0.597 8.453 -7.766 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.220 8.991 -9.148 1.00 0.00 C ATOM 636 CG2 ILE A 44 1.233 9.531 -6.886 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.395 9.734 -9.787 1.00 0.00 C ATOM 0 H ILE A 44 -0.094 6.051 -8.532 1.00 0.00 H new ATOM 0 HA ILE A 44 2.432 7.594 -8.342 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.327 8.142 -7.278 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.087 8.167 -9.792 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.635 9.662 -9.060 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.563 10.388 -6.818 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.410 9.129 -5.888 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.181 9.845 -7.323 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.100 10.106 -10.768 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.684 10.572 -9.153 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.240 9.054 -9.896 1.00 0.00 H new ATOM 649 N TYR A 45 3.072 6.998 -6.061 1.00 0.00 N ATOM 650 CA TYR A 45 3.564 6.495 -4.790 1.00 0.00 C ATOM 651 C TYR A 45 3.975 7.644 -3.867 1.00 0.00 C ATOM 652 O TYR A 45 4.588 8.613 -4.312 1.00 0.00 O ATOM 653 CB TYR A 45 4.800 5.655 -5.120 1.00 0.00 C ATOM 654 CG TYR A 45 4.517 4.468 -6.043 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.576 4.630 -7.412 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.203 3.236 -5.506 1.00 0.00 C ATOM 657 CE1 TYR A 45 4.310 3.513 -8.281 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.937 2.119 -6.375 1.00 0.00 C ATOM 659 CZ TYR A 45 4.004 2.312 -7.720 1.00 0.00 C ATOM 660 OH TYR A 45 3.752 1.257 -8.541 1.00 0.00 O ATOM 0 H TYR A 45 3.700 7.648 -6.534 1.00 0.00 H new ATOM 0 HA TYR A 45 2.791 5.920 -4.279 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.548 6.296 -5.588 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.234 5.285 -4.191 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.822 5.594 -7.832 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.157 3.110 -4.434 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.352 3.626 -9.354 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.690 1.150 -5.968 1.00 0.00 H new ATOM 0 HH TYR A 45 3.549 0.464 -8.002 1.00 0.00 H new ATOM 670 N VAL A 46 3.620 7.498 -2.599 1.00 0.00 N ATOM 671 CA VAL A 46 3.944 8.512 -1.610 1.00 0.00 C ATOM 672 C VAL A 46 5.463 8.588 -1.443 1.00 0.00 C ATOM 673 O VAL A 46 6.118 7.572 -1.215 1.00 0.00 O ATOM 674 CB VAL A 46 3.212 8.217 -0.299 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.760 9.078 0.841 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.703 8.412 -0.458 1.00 0.00 C ATOM 0 H VAL A 46 3.111 6.693 -2.234 1.00 0.00 H new ATOM 0 HA VAL A 46 3.604 9.493 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 46 3.389 7.172 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.222 8.849 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.821 8.868 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.628 10.132 0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.207 8.196 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.498 9.442 -0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.328 7.737 -1.227 1.00 0.00 H new ATOM 686 N SER A 47 5.979 9.802 -1.562 1.00 0.00 N ATOM 687 CA SER A 47 7.409 10.024 -1.427 1.00 0.00 C ATOM 688 C SER A 47 7.727 10.546 -0.024 1.00 0.00 C ATOM 689 O SER A 47 8.847 10.390 0.461 1.00 0.00 O ATOM 690 CB SER A 47 7.917 11.005 -2.486 1.00 0.00 C ATOM 691 OG SER A 47 8.775 11.996 -1.928 1.00 0.00 O ATOM 0 H SER A 47 5.433 10.643 -1.750 1.00 0.00 H new ATOM 0 HA SER A 47 7.919 9.072 -1.578 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.453 10.457 -3.261 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.068 11.490 -2.968 1.00 0.00 H new ATOM 0 HG SER A 47 9.079 12.602 -2.636 1.00 0.00 H new ATOM 697 N LYS A 48 6.722 11.155 0.588 1.00 0.00 N ATOM 698 CA LYS A 48 6.881 11.700 1.925 1.00 0.00 C ATOM 699 C LYS A 48 5.553 12.304 2.387 1.00 0.00 C ATOM 700 O LYS A 48 4.629 12.462 1.590 1.00 0.00 O ATOM 701 CB LYS A 48 8.051 12.685 1.967 1.00 0.00 C ATOM 702 CG LYS A 48 8.773 12.623 3.315 1.00 0.00 C ATOM 703 CD LYS A 48 10.241 12.232 3.133 1.00 0.00 C ATOM 704 CE LYS A 48 10.639 11.127 4.114 1.00 0.00 C ATOM 705 NZ LYS A 48 12.110 11.079 4.271 1.00 0.00 N ATOM 0 H LYS A 48 5.795 11.283 0.182 1.00 0.00 H new ATOM 0 HA LYS A 48 7.135 10.909 2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.752 12.457 1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.685 13.697 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.710 13.592 3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.278 11.900 3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.407 11.893 2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.875 13.105 3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.170 11.305 5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.274 10.165 3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.363 10.324 4.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.551 10.887 3.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.450 11.992 4.635 1.00 0.00 H new ATOM 719 N VAL A 49 5.499 12.623 3.671 1.00 0.00 N ATOM 720 CA VAL A 49 4.299 13.206 4.248 1.00 0.00 C ATOM 721 C VAL A 49 4.695 14.236 5.307 1.00 0.00 C ATOM 722 O VAL A 49 5.444 13.924 6.232 1.00 0.00 O ATOM 723 CB VAL A 49 3.394 12.101 4.798 1.00 0.00 C ATOM 724 CG1 VAL A 49 4.211 11.037 5.533 1.00 0.00 C ATOM 725 CG2 VAL A 49 2.308 12.683 5.706 1.00 0.00 C ATOM 0 H VAL A 49 6.267 12.489 4.329 1.00 0.00 H new ATOM 0 HA VAL A 49 3.724 13.730 3.485 1.00 0.00 H new ATOM 0 HB VAL A 49 2.902 11.620 3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.543 10.264 5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.929 10.590 4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.744 11.498 6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.679 11.877 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.774 13.202 6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.697 13.385 5.139 1.00 0.00 H new ATOM 735 N THR A 50 4.176 15.443 5.137 1.00 0.00 N ATOM 736 CA THR A 50 4.466 16.521 6.066 1.00 0.00 C ATOM 737 C THR A 50 3.926 16.185 7.458 1.00 0.00 C ATOM 738 O THR A 50 2.742 15.890 7.613 1.00 0.00 O ATOM 739 CB THR A 50 3.889 17.814 5.486 1.00 0.00 C ATOM 740 OG1 THR A 50 4.652 18.034 4.303 1.00 0.00 O ATOM 741 CG2 THR A 50 4.193 19.034 6.358 1.00 0.00 C ATOM 0 H THR A 50 3.556 15.698 4.369 1.00 0.00 H new ATOM 0 HA THR A 50 5.540 16.656 6.192 1.00 0.00 H new ATOM 0 HB THR A 50 2.810 17.710 5.371 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.343 18.853 3.862 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.761 19.924 5.901 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.762 18.889 7.349 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.272 19.158 6.446 1.00 0.00 H new ATOM 749 N VAL A 51 4.820 16.241 8.434 1.00 0.00 N ATOM 750 CA VAL A 51 4.448 15.947 9.807 1.00 0.00 C ATOM 751 C VAL A 51 3.667 17.130 10.385 1.00 0.00 C ATOM 752 O VAL A 51 4.146 18.263 10.365 1.00 0.00 O ATOM 753 CB VAL A 51 5.694 15.597 10.624 1.00 0.00 C ATOM 754 CG1 VAL A 51 5.373 15.547 12.119 1.00 0.00 C ATOM 755 CG2 VAL A 51 6.307 14.279 10.150 1.00 0.00 C ATOM 0 H VAL A 51 5.801 16.486 8.301 1.00 0.00 H new ATOM 0 HA VAL A 51 3.794 15.076 9.847 1.00 0.00 H new ATOM 0 HB VAL A 51 6.431 16.385 10.466 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.275 15.296 12.677 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.004 16.519 12.445 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.611 14.790 12.302 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.191 14.053 10.747 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.578 13.477 10.264 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.590 14.366 9.101 1.00 0.00 H new ATOM 765 N GLY A 52 2.479 16.826 10.885 1.00 0.00 N ATOM 766 CA GLY A 52 1.628 17.850 11.467 1.00 0.00 C ATOM 767 C GLY A 52 0.628 18.382 10.437 1.00 0.00 C ATOM 768 O GLY A 52 -0.239 19.189 10.768 1.00 0.00 O ATOM 0 H GLY A 52 2.085 15.885 10.899 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.091 17.439 12.322 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.242 18.670 11.840 1.00 0.00 H new ATOM 772 N SER A 53 0.782 17.907 9.210 1.00 0.00 N ATOM 773 CA SER A 53 -0.096 18.324 8.130 1.00 0.00 C ATOM 774 C SER A 53 -1.344 17.439 8.099 1.00 0.00 C ATOM 775 O SER A 53 -1.365 16.368 8.703 1.00 0.00 O ATOM 776 CB SER A 53 0.625 18.273 6.782 1.00 0.00 C ATOM 777 OG SER A 53 0.570 19.522 6.099 1.00 0.00 O ATOM 0 H SER A 53 1.502 17.237 8.940 1.00 0.00 H new ATOM 0 HA SER A 53 -0.395 19.356 8.312 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.666 17.991 6.938 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.175 17.499 6.160 1.00 0.00 H new ATOM 0 HG SER A 53 1.370 19.627 5.543 1.00 0.00 H new ATOM 783 N ILE A 54 -2.353 17.920 7.388 1.00 0.00 N ATOM 784 CA ILE A 54 -3.602 17.185 7.269 1.00 0.00 C ATOM 785 C ILE A 54 -3.300 15.690 7.158 1.00 0.00 C ATOM 786 O ILE A 54 -3.680 14.909 8.029 1.00 0.00 O ATOM 787 CB ILE A 54 -4.437 17.732 6.110 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.830 19.190 6.357 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.657 16.847 5.848 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.738 19.313 7.583 1.00 0.00 C ATOM 0 H ILE A 54 -2.332 18.809 6.889 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.211 17.322 8.162 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.824 17.712 5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.933 19.792 6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.342 19.586 5.480 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.234 17.258 5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.328 15.839 5.596 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.280 16.813 6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.003 20.359 7.736 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.645 18.729 7.424 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.214 18.939 8.463 1.00 0.00 H new ATOM 802 N ALA A 55 -2.619 15.335 6.078 1.00 0.00 N ATOM 803 CA ALA A 55 -2.261 13.946 5.841 1.00 0.00 C ATOM 804 C ALA A 55 -1.855 13.296 7.165 1.00 0.00 C ATOM 805 O ALA A 55 -2.535 12.394 7.652 1.00 0.00 O ATOM 806 CB ALA A 55 -1.150 13.877 4.792 1.00 0.00 C ATOM 0 H ALA A 55 -2.306 15.985 5.357 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.113 13.391 5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.882 12.836 4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.499 14.325 3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.276 14.421 5.151 1.00 0.00 H new ATOM 812 N HIS A 56 -0.748 13.779 7.709 1.00 0.00 N ATOM 813 CA HIS A 56 -0.242 13.256 8.967 1.00 0.00 C ATOM 814 C HIS A 56 -1.414 12.936 9.898 1.00 0.00 C ATOM 815 O HIS A 56 -1.511 11.827 10.421 1.00 0.00 O ATOM 816 CB HIS A 56 0.764 14.223 9.593 1.00 0.00 C ATOM 817 CG HIS A 56 1.802 13.553 10.461 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.835 13.696 11.837 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.843 12.734 10.134 1.00 0.00 C ATOM 820 CE1 HIS A 56 2.854 12.992 12.307 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.478 12.397 11.250 1.00 0.00 N ATOM 0 H HIS A 56 -0.187 14.527 7.302 1.00 0.00 H new ATOM 0 HA HIS A 56 0.299 12.327 8.787 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.269 14.771 8.797 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.223 14.956 10.191 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.106 12.414 9.137 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.140 12.905 13.345 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.298 11.793 11.308 1.00 0.00 H new ATOM 829 N GLN A 57 -2.275 13.927 10.075 1.00 0.00 N ATOM 830 CA GLN A 57 -3.436 13.766 10.933 1.00 0.00 C ATOM 831 C GLN A 57 -4.259 12.555 10.490 1.00 0.00 C ATOM 832 O GLN A 57 -4.653 11.731 11.314 1.00 0.00 O ATOM 833 CB GLN A 57 -4.290 15.035 10.945 1.00 0.00 C ATOM 834 CG GLN A 57 -3.419 16.281 11.117 1.00 0.00 C ATOM 835 CD GLN A 57 -4.238 17.450 11.668 1.00 0.00 C ATOM 836 OE1 GLN A 57 -5.324 17.755 11.202 1.00 0.00 O ATOM 837 NE2 GLN A 57 -3.659 18.086 12.682 1.00 0.00 N ATOM 0 H GLN A 57 -2.192 14.845 9.638 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.089 13.592 11.952 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.854 15.107 10.015 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.017 14.981 11.755 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.592 16.061 11.793 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.982 16.559 10.158 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.748 17.779 13.023 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.126 18.881 13.118 1.00 0.00 H new ATOM 846 N ALA A 58 -4.495 12.484 9.188 1.00 0.00 N ATOM 847 CA ALA A 58 -5.265 11.388 8.625 1.00 0.00 C ATOM 848 C ALA A 58 -4.568 10.064 8.946 1.00 0.00 C ATOM 849 O ALA A 58 -5.219 9.091 9.322 1.00 0.00 O ATOM 850 CB ALA A 58 -5.438 11.605 7.120 1.00 0.00 C ATOM 0 H ALA A 58 -4.166 13.168 8.507 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.261 11.353 9.066 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.016 10.783 6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.963 12.544 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.459 11.643 6.643 1.00 0.00 H new ATOM 856 N GLY A 59 -3.252 10.070 8.785 1.00 0.00 N ATOM 857 CA GLY A 59 -2.460 8.882 9.052 1.00 0.00 C ATOM 858 C GLY A 59 -1.908 8.287 7.755 1.00 0.00 C ATOM 859 O GLY A 59 -2.037 7.088 7.514 1.00 0.00 O ATOM 0 H GLY A 59 -2.715 10.879 8.473 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.636 9.133 9.721 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.072 8.140 9.565 1.00 0.00 H new ATOM 863 N LEU A 60 -1.306 9.153 6.954 1.00 0.00 N ATOM 864 CA LEU A 60 -0.734 8.728 5.687 1.00 0.00 C ATOM 865 C LEU A 60 0.735 8.355 5.896 1.00 0.00 C ATOM 866 O LEU A 60 1.389 8.874 6.799 1.00 0.00 O ATOM 867 CB LEU A 60 -0.950 9.799 4.616 1.00 0.00 C ATOM 868 CG LEU A 60 -2.306 9.775 3.908 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.511 11.039 3.072 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.466 8.503 3.072 1.00 0.00 C ATOM 0 H LEU A 60 -1.202 10.147 7.157 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.241 7.836 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.821 10.778 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.168 9.696 3.864 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.087 9.762 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.482 10.996 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.471 11.914 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.726 11.109 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.438 8.511 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.678 8.461 2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.395 7.630 3.721 1.00 0.00 H new ATOM 882 N GLU A 61 1.211 7.457 5.045 1.00 0.00 N ATOM 883 CA GLU A 61 2.590 7.008 5.125 1.00 0.00 C ATOM 884 C GLU A 61 3.169 6.819 3.721 1.00 0.00 C ATOM 885 O GLU A 61 2.443 6.900 2.731 1.00 0.00 O ATOM 886 CB GLU A 61 2.701 5.719 5.942 1.00 0.00 C ATOM 887 CG GLU A 61 1.984 4.563 5.242 1.00 0.00 C ATOM 888 CD GLU A 61 1.565 3.488 6.247 1.00 0.00 C ATOM 889 OE1 GLU A 61 0.667 3.793 7.062 1.00 0.00 O ATOM 890 OE2 GLU A 61 2.152 2.387 6.179 1.00 0.00 O ATOM 0 H GLU A 61 0.666 7.029 4.297 1.00 0.00 H new ATOM 0 HA GLU A 61 3.172 7.775 5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.751 5.466 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.270 5.873 6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.105 4.939 4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.640 4.126 4.489 1.00 0.00 H new ATOM 897 N TYR A 62 4.470 6.571 3.680 1.00 0.00 N ATOM 898 CA TYR A 62 5.154 6.369 2.414 1.00 0.00 C ATOM 899 C TYR A 62 5.012 4.922 1.938 1.00 0.00 C ATOM 900 O TYR A 62 4.836 4.013 2.748 1.00 0.00 O ATOM 901 CB TYR A 62 6.631 6.663 2.682 1.00 0.00 C ATOM 902 CG TYR A 62 7.539 6.445 1.470 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.756 5.169 0.992 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.140 7.524 0.855 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.610 4.963 -0.149 1.00 0.00 C ATOM 906 CE2 TYR A 62 8.994 7.319 -0.287 1.00 0.00 C ATOM 907 CZ TYR A 62 9.187 6.048 -0.732 1.00 0.00 C ATOM 908 OH TYR A 62 9.994 5.854 -1.810 1.00 0.00 O ATOM 0 H TYR A 62 5.069 6.505 4.503 1.00 0.00 H new ATOM 0 HA TYR A 62 4.732 7.014 1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.730 7.696 3.016 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.975 6.029 3.499 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.285 4.325 1.474 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.970 8.523 1.230 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.788 3.969 -0.533 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.470 8.155 -0.778 1.00 0.00 H new ATOM 0 HH TYR A 62 10.335 6.718 -2.123 1.00 0.00 H new ATOM 918 N GLY A 63 5.093 4.754 0.627 1.00 0.00 N ATOM 919 CA GLY A 63 4.975 3.433 0.033 1.00 0.00 C ATOM 920 C GLY A 63 3.508 3.058 -0.184 1.00 0.00 C ATOM 921 O GLY A 63 3.208 2.090 -0.881 1.00 0.00 O ATOM 0 H GLY A 63 5.239 5.511 -0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.505 3.410 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.451 2.696 0.680 1.00 0.00 H new ATOM 925 N ASP A 64 2.633 3.844 0.426 1.00 0.00 N ATOM 926 CA ASP A 64 1.204 3.607 0.308 1.00 0.00 C ATOM 927 C ASP A 64 0.724 4.083 -1.064 1.00 0.00 C ATOM 928 O ASP A 64 0.295 5.226 -1.213 1.00 0.00 O ATOM 929 CB ASP A 64 0.428 4.380 1.375 1.00 0.00 C ATOM 930 CG ASP A 64 -0.168 3.520 2.492 1.00 0.00 C ATOM 931 OD1 ASP A 64 0.017 2.286 2.418 1.00 0.00 O ATOM 932 OD2 ASP A 64 -0.795 4.116 3.394 1.00 0.00 O ATOM 0 H ASP A 64 2.886 4.646 1.004 1.00 0.00 H new ATOM 0 HA ASP A 64 1.027 2.539 0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.093 5.119 1.822 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.379 4.929 0.890 1.00 0.00 H new ATOM 937 N GLN A 65 0.812 3.182 -2.032 1.00 0.00 N ATOM 938 CA GLN A 65 0.392 3.496 -3.387 1.00 0.00 C ATOM 939 C GLN A 65 -1.050 4.007 -3.391 1.00 0.00 C ATOM 940 O GLN A 65 -1.966 3.292 -2.987 1.00 0.00 O ATOM 941 CB GLN A 65 0.546 2.281 -4.304 1.00 0.00 C ATOM 942 CG GLN A 65 0.591 2.706 -5.774 1.00 0.00 C ATOM 943 CD GLN A 65 -0.110 1.676 -6.663 1.00 0.00 C ATOM 944 OE1 GLN A 65 0.152 0.486 -6.605 1.00 0.00 O ATOM 945 NE2 GLN A 65 -1.013 2.200 -7.488 1.00 0.00 N ATOM 0 H GLN A 65 1.168 2.235 -1.905 1.00 0.00 H new ATOM 0 HA GLN A 65 1.037 4.285 -3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.459 1.742 -4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.285 1.594 -4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.112 3.678 -5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.627 2.821 -6.092 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.183 3.206 -7.485 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.535 1.596 -8.123 1.00 0.00 H new ATOM 954 N LEU A 66 -1.207 5.240 -3.851 1.00 0.00 N ATOM 955 CA LEU A 66 -2.522 5.854 -3.912 1.00 0.00 C ATOM 956 C LEU A 66 -3.288 5.291 -5.110 1.00 0.00 C ATOM 957 O LEU A 66 -2.913 5.526 -6.258 1.00 0.00 O ATOM 958 CB LEU A 66 -2.401 7.379 -3.922 1.00 0.00 C ATOM 959 CG LEU A 66 -1.396 7.979 -2.936 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.100 9.441 -3.275 1.00 0.00 C ATOM 961 CD2 LEU A 66 -1.876 7.810 -1.493 1.00 0.00 C ATOM 0 H LEU A 66 -0.445 5.830 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.099 5.608 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.126 7.695 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.383 7.803 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.458 7.432 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.383 9.843 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.683 9.504 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.023 10.019 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.144 8.245 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.834 8.315 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.993 6.749 -1.270 1.00 0.00 H new ATOM 973 N LEU A 67 -4.348 4.557 -4.803 1.00 0.00 N ATOM 974 CA LEU A 67 -5.170 3.958 -5.840 1.00 0.00 C ATOM 975 C LEU A 67 -6.185 4.988 -6.339 1.00 0.00 C ATOM 976 O LEU A 67 -6.276 5.245 -7.538 1.00 0.00 O ATOM 977 CB LEU A 67 -5.806 2.661 -5.337 1.00 0.00 C ATOM 978 CG LEU A 67 -4.857 1.475 -5.155 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.603 0.253 -4.614 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.114 1.162 -6.455 1.00 0.00 C ATOM 0 H LEU A 67 -4.656 4.364 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.557 3.674 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.290 2.864 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.590 2.369 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.107 1.750 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.905 -0.576 -4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.047 0.496 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.389 -0.033 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.446 0.315 -6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.834 0.916 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.531 2.031 -6.760 1.00 0.00 H new ATOM 992 N GLU A 68 -6.923 5.550 -5.393 1.00 0.00 N ATOM 993 CA GLU A 68 -7.928 6.547 -5.721 1.00 0.00 C ATOM 994 C GLU A 68 -7.983 7.623 -4.635 1.00 0.00 C ATOM 995 O GLU A 68 -7.810 7.327 -3.453 1.00 0.00 O ATOM 996 CB GLU A 68 -9.300 5.898 -5.919 1.00 0.00 C ATOM 997 CG GLU A 68 -9.278 4.919 -7.095 1.00 0.00 C ATOM 998 CD GLU A 68 -10.635 4.879 -7.800 1.00 0.00 C ATOM 999 OE1 GLU A 68 -11.647 4.754 -7.076 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -10.631 4.974 -9.046 1.00 0.00 O ATOM 0 H GLU A 68 -6.845 5.334 -4.399 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.647 7.021 -6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.593 5.373 -5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.049 6.669 -6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.504 5.214 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.020 3.922 -6.738 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.224 8.850 -5.073 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.304 9.971 -4.153 1.00 0.00 C ATOM 1009 C PHE A 69 -9.701 10.594 -4.168 1.00 0.00 C ATOM 1010 O PHE A 69 -9.978 11.489 -4.966 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.289 11.013 -4.629 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.432 12.376 -3.949 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -6.819 12.609 -2.757 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -8.171 13.355 -4.536 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -6.951 13.874 -2.126 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -8.303 14.620 -3.905 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.690 14.853 -2.713 1.00 0.00 C ATOM 0 H PHE A 69 -8.367 9.092 -6.054 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.096 9.634 -3.137 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.283 10.633 -4.451 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.395 11.143 -5.706 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.232 11.832 -2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.658 13.170 -5.482 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.464 14.059 -1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -8.890 15.397 -4.371 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.790 15.815 -2.233 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.546 10.097 -3.277 1.00 0.00 N ATOM 1028 CA ASN A 70 -11.908 10.593 -3.177 1.00 0.00 C ATOM 1029 C ASN A 70 -12.694 10.165 -4.418 1.00 0.00 C ATOM 1030 O ASN A 70 -13.822 10.609 -4.626 1.00 0.00 O ATOM 1031 CB ASN A 70 -11.933 12.121 -3.106 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.767 12.601 -1.916 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.415 11.829 -1.228 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.714 13.914 -1.713 1.00 0.00 N ATOM 0 H ASN A 70 -10.313 9.355 -2.617 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.351 10.182 -2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.915 12.501 -3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.346 12.525 -4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.236 14.332 -0.943 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.151 14.503 -2.327 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.067 9.307 -5.210 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.694 8.814 -6.424 1.00 0.00 C ATOM 1043 C GLY A 71 -11.721 8.865 -7.603 1.00 0.00 C ATOM 1044 O GLY A 71 -11.634 7.917 -8.382 1.00 0.00 O ATOM 0 H GLY A 71 -11.131 8.941 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.033 7.789 -6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.577 9.412 -6.650 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.013 9.981 -7.697 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.049 10.168 -8.768 1.00 0.00 C ATOM 1050 C ILE A 72 -9.097 8.971 -8.806 1.00 0.00 C ATOM 1051 O ILE A 72 -8.455 8.653 -7.806 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.339 11.515 -8.620 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.121 12.627 -9.322 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -7.894 11.430 -9.116 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.133 13.904 -8.479 1.00 0.00 C ATOM 0 H ILE A 72 -11.088 10.765 -7.049 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.554 10.205 -9.733 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.302 11.767 -7.560 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.674 12.833 -10.294 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.144 12.298 -9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.412 12.401 -9.000 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.353 10.684 -8.534 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.887 11.145 -10.168 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.695 14.679 -9.000 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.603 13.700 -7.517 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.110 14.244 -8.319 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.035 8.341 -9.970 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.172 7.186 -10.151 1.00 0.00 C ATOM 1069 C ASN A 73 -6.716 7.651 -10.231 1.00 0.00 C ATOM 1070 O ASN A 73 -6.335 8.352 -11.167 1.00 0.00 O ATOM 1071 CB ASN A 73 -8.504 6.448 -11.449 1.00 0.00 C ATOM 1072 CG ASN A 73 -8.299 4.940 -11.290 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -8.348 4.392 -10.201 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -8.067 4.302 -12.433 1.00 0.00 N ATOM 0 H ASN A 73 -9.568 8.609 -10.797 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.325 6.515 -9.306 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.537 6.650 -11.733 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.873 6.821 -12.256 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.917 3.293 -12.433 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.039 4.821 -13.310 1.00 0.00 H new ATOM 1081 N LEU A 74 -5.942 7.241 -9.237 1.00 0.00 N ATOM 1082 CA LEU A 74 -4.537 7.607 -9.183 1.00 0.00 C ATOM 1083 C LEU A 74 -3.749 6.732 -10.161 1.00 0.00 C ATOM 1084 O LEU A 74 -2.715 7.151 -10.680 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.020 7.540 -7.745 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.109 8.838 -6.939 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -3.321 9.960 -7.618 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -5.567 9.230 -6.691 1.00 0.00 C ATOM 0 H LEU A 74 -6.261 6.659 -8.463 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.401 8.642 -9.498 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.577 6.768 -7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.978 7.221 -7.769 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.651 8.667 -5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.401 10.871 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.273 9.671 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.727 10.139 -8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.602 10.156 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.072 9.376 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.067 8.438 -6.134 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.268 5.533 -10.382 1.00 0.00 N ATOM 1101 CA ARG A 75 -3.626 4.596 -11.288 1.00 0.00 C ATOM 1102 C ARG A 75 -3.427 5.238 -12.663 1.00 0.00 C ATOM 1103 O ARG A 75 -2.444 4.957 -13.346 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.459 3.322 -11.444 1.00 0.00 C ATOM 1105 CG ARG A 75 -3.944 2.214 -10.522 1.00 0.00 C ATOM 1106 CD ARG A 75 -4.692 0.903 -10.770 1.00 0.00 C ATOM 1107 NE ARG A 75 -3.802 -0.068 -11.444 1.00 0.00 N ATOM 1108 CZ ARG A 75 -4.208 -1.250 -11.927 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -5.493 -1.615 -11.813 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -3.330 -2.068 -12.523 1.00 0.00 N ATOM 0 H ARG A 75 -5.125 5.189 -9.949 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.658 4.334 -10.862 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.503 3.535 -11.214 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.423 2.984 -12.480 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.877 2.065 -10.687 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.066 2.515 -9.482 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.044 0.491 -9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.573 1.088 -11.384 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.818 0.178 -11.547 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.161 -0.993 -11.359 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.802 -2.515 -12.181 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.352 -1.791 -12.609 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.639 -2.968 -12.891 1.00 0.00 H new ATOM 1124 N SER A 76 -4.375 6.088 -13.026 1.00 0.00 N ATOM 1125 CA SER A 76 -4.316 6.773 -14.307 1.00 0.00 C ATOM 1126 C SER A 76 -3.790 8.196 -14.115 1.00 0.00 C ATOM 1127 O SER A 76 -3.447 8.871 -15.085 1.00 0.00 O ATOM 1128 CB SER A 76 -5.690 6.800 -14.980 1.00 0.00 C ATOM 1129 OG SER A 76 -5.851 5.731 -15.909 1.00 0.00 O ATOM 0 H SER A 76 -5.189 6.319 -12.456 1.00 0.00 H new ATOM 0 HA SER A 76 -3.634 6.226 -14.957 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.468 6.739 -14.219 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.823 7.751 -15.495 1.00 0.00 H new ATOM 0 HG SER A 76 -6.741 5.782 -16.316 1.00 0.00 H new ATOM 1135 N ALA A 77 -3.744 8.612 -12.858 1.00 0.00 N ATOM 1136 CA ALA A 77 -3.266 9.944 -12.527 1.00 0.00 C ATOM 1137 C ALA A 77 -1.743 9.985 -12.672 1.00 0.00 C ATOM 1138 O ALA A 77 -1.085 8.946 -12.636 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.728 10.317 -11.117 1.00 0.00 C ATOM 0 H ALA A 77 -4.030 8.050 -12.056 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.682 10.683 -13.212 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.369 11.316 -10.869 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.817 10.302 -11.075 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.327 9.599 -10.401 1.00 0.00 H new ATOM 1145 N THR A 78 -1.228 11.195 -12.833 1.00 0.00 N ATOM 1146 CA THR A 78 0.205 11.385 -12.983 1.00 0.00 C ATOM 1147 C THR A 78 0.795 12.014 -11.719 1.00 0.00 C ATOM 1148 O THR A 78 0.109 12.141 -10.706 1.00 0.00 O ATOM 1149 CB THR A 78 0.441 12.217 -14.244 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.689 13.083 -14.306 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.343 11.384 -15.523 1.00 0.00 C ATOM 0 H THR A 78 -1.777 12.054 -12.863 1.00 0.00 H new ATOM 0 HA THR A 78 0.721 10.432 -13.104 1.00 0.00 H new ATOM 0 HB THR A 78 1.424 12.685 -14.190 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.403 12.653 -14.822 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.519 12.023 -16.388 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.091 10.592 -15.499 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.651 10.942 -15.594 1.00 0.00 H new ATOM 1159 N GLU A 79 2.060 12.392 -11.821 1.00 0.00 N ATOM 1160 CA GLU A 79 2.751 13.005 -10.699 1.00 0.00 C ATOM 1161 C GLU A 79 2.300 14.457 -10.528 1.00 0.00 C ATOM 1162 O GLU A 79 2.189 14.948 -9.406 1.00 0.00 O ATOM 1163 CB GLU A 79 4.268 12.919 -10.875 1.00 0.00 C ATOM 1164 CG GLU A 79 4.676 13.293 -12.301 1.00 0.00 C ATOM 1165 CD GLU A 79 6.146 13.715 -12.358 1.00 0.00 C ATOM 1166 OE1 GLU A 79 6.412 14.891 -12.030 1.00 0.00 O ATOM 1167 OE2 GLU A 79 6.970 12.851 -12.729 1.00 0.00 O ATOM 0 H GLU A 79 2.625 12.286 -12.663 1.00 0.00 H new ATOM 0 HA GLU A 79 2.492 12.455 -9.794 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.758 13.586 -10.166 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.607 11.908 -10.649 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.512 12.444 -12.965 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.046 14.106 -12.662 1.00 0.00 H new ATOM 1174 N GLN A 80 2.052 15.103 -11.658 1.00 0.00 N ATOM 1175 CA GLN A 80 1.616 16.489 -11.647 1.00 0.00 C ATOM 1176 C GLN A 80 0.144 16.580 -11.240 1.00 0.00 C ATOM 1177 O GLN A 80 -0.230 17.430 -10.433 1.00 0.00 O ATOM 1178 CB GLN A 80 1.850 17.148 -13.008 1.00 0.00 C ATOM 1179 CG GLN A 80 0.973 16.507 -14.085 1.00 0.00 C ATOM 1180 CD GLN A 80 1.544 16.764 -15.482 1.00 0.00 C ATOM 1181 OE1 GLN A 80 2.738 16.687 -15.716 1.00 0.00 O ATOM 1182 NE2 GLN A 80 0.625 17.073 -16.393 1.00 0.00 N ATOM 0 H GLN A 80 2.145 14.692 -12.587 1.00 0.00 H new ATOM 0 HA GLN A 80 2.210 17.030 -10.911 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.631 18.214 -12.942 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.900 17.055 -13.286 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.901 15.434 -13.909 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.038 16.909 -14.022 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.359 17.120 -16.129 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.905 17.263 -17.355 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.652 15.691 -11.817 1.00 0.00 N ATOM 1192 CA GLN A 81 -2.075 15.660 -11.524 1.00 0.00 C ATOM 1193 C GLN A 81 -2.308 15.247 -10.069 1.00 0.00 C ATOM 1194 O GLN A 81 -3.128 15.845 -9.375 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.812 14.724 -12.484 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.504 15.514 -13.597 1.00 0.00 C ATOM 1197 CD GLN A 81 -3.134 14.960 -14.974 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -3.968 14.472 -15.720 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -1.841 15.062 -15.269 1.00 0.00 N ATOM 0 H GLN A 81 -0.339 14.987 -12.486 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.478 16.663 -11.666 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.107 14.016 -12.920 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.551 14.141 -11.934 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.585 15.470 -13.462 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.218 16.564 -13.535 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.197 15.481 -14.599 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.494 14.721 -16.165 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.573 14.228 -9.651 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.689 13.728 -8.292 1.00 0.00 C ATOM 1210 C ALA A 82 -1.356 14.853 -7.309 1.00 0.00 C ATOM 1211 O ALA A 82 -1.983 14.969 -6.257 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.779 12.511 -8.115 1.00 0.00 C ATOM 0 H ALA A 82 -0.894 13.734 -10.230 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.710 13.404 -8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.867 12.136 -7.095 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.076 11.730 -8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.255 12.798 -8.308 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.369 15.652 -7.688 1.00 0.00 N ATOM 1219 CA ARG A 83 0.055 16.764 -6.853 1.00 0.00 C ATOM 1220 C ARG A 83 -1.026 17.846 -6.821 1.00 0.00 C ATOM 1221 O ARG A 83 -0.983 18.746 -5.984 1.00 0.00 O ATOM 1222 CB ARG A 83 1.361 17.372 -7.368 1.00 0.00 C ATOM 1223 CG ARG A 83 2.556 16.484 -7.015 1.00 0.00 C ATOM 1224 CD ARG A 83 3.815 16.937 -7.757 1.00 0.00 C ATOM 1225 NE ARG A 83 4.548 17.935 -6.948 1.00 0.00 N ATOM 1226 CZ ARG A 83 5.288 17.633 -5.872 1.00 0.00 C ATOM 1227 NH1 ARG A 83 5.397 16.359 -5.471 1.00 0.00 N ATOM 1228 NH2 ARG A 83 5.919 18.604 -5.198 1.00 0.00 N ATOM 0 H ARG A 83 0.149 15.552 -8.561 1.00 0.00 H new ATOM 0 HA ARG A 83 0.219 16.380 -5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.305 17.500 -8.449 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.500 18.363 -6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.732 16.516 -5.940 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.332 15.448 -7.271 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.456 16.079 -7.959 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.544 17.367 -8.721 1.00 0.00 H new ATOM 0 HE ARG A 83 4.486 18.914 -7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.917 15.620 -5.985 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.960 16.128 -4.652 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.836 19.574 -5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.482 18.374 -4.379 1.00 0.00 H new ATOM 1242 N LEU A 84 -1.969 17.723 -7.743 1.00 0.00 N ATOM 1243 CA LEU A 84 -3.059 18.680 -7.831 1.00 0.00 C ATOM 1244 C LEU A 84 -4.311 18.081 -7.187 1.00 0.00 C ATOM 1245 O LEU A 84 -4.901 18.682 -6.290 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.266 19.125 -9.280 1.00 0.00 C ATOM 1247 CG LEU A 84 -4.601 18.733 -9.918 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -5.773 19.378 -9.177 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -4.613 19.066 -11.411 1.00 0.00 C ATOM 0 H LEU A 84 -2.001 16.975 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.816 19.586 -7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.170 20.210 -9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.461 18.709 -9.885 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.719 17.653 -9.828 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.709 19.083 -9.651 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.772 19.048 -8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.674 20.463 -9.213 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.572 18.778 -11.840 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.462 20.137 -11.546 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.813 18.521 -11.912 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.680 16.903 -7.669 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.851 16.216 -7.151 1.00 0.00 C ATOM 1263 C ILE A 85 -5.839 16.277 -5.623 1.00 0.00 C ATOM 1264 O ILE A 85 -6.845 16.620 -5.004 1.00 0.00 O ATOM 1265 CB ILE A 85 -5.928 14.793 -7.709 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -5.981 14.806 -9.238 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -7.106 14.029 -7.102 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.309 13.561 -9.821 1.00 0.00 C ATOM 0 H ILE A 85 -4.189 16.407 -8.413 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.762 16.714 -7.483 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.019 14.264 -7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.018 14.852 -9.569 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.486 15.701 -9.615 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.138 13.021 -7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.985 13.974 -6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.036 14.547 -7.337 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.361 13.595 -10.909 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.265 13.531 -9.508 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.822 12.669 -9.462 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.689 15.939 -5.058 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.533 15.952 -3.613 1.00 0.00 C ATOM 1282 C ILE A 86 -4.521 17.399 -3.118 1.00 0.00 C ATOM 1283 O ILE A 86 -4.935 17.678 -1.994 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.296 15.151 -3.202 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -2.012 15.878 -3.607 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.351 13.729 -3.763 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.834 14.904 -3.692 1.00 0.00 C ATOM 0 H ILE A 86 -3.857 15.655 -5.574 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.379 15.459 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.290 15.068 -2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.155 16.366 -4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.789 16.661 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.460 13.182 -3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.237 13.222 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.395 13.769 -4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.066 15.446 -3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.679 14.435 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.050 14.136 -4.435 1.00 0.00 H new ATOM 1299 N GLY A 87 -4.042 18.282 -3.982 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.971 19.694 -3.646 1.00 0.00 C ATOM 1301 C GLY A 87 -5.261 20.417 -4.038 1.00 0.00 C ATOM 1302 O GLY A 87 -5.233 21.592 -4.401 1.00 0.00 O ATOM 0 H GLY A 87 -3.699 18.047 -4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.797 19.808 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.124 20.151 -4.158 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.361 19.684 -3.951 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.660 20.240 -4.292 1.00 0.00 C ATOM 1308 C GLN A 88 -8.342 20.799 -3.042 1.00 0.00 C ATOM 1309 O GLN A 88 -7.744 20.836 -1.968 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.542 19.194 -4.977 1.00 0.00 C ATOM 1311 CG GLN A 88 -8.283 19.160 -6.485 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.579 18.906 -7.258 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -10.674 18.977 -6.725 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.393 18.606 -8.540 1.00 0.00 N ATOM 0 H GLN A 88 -6.380 18.710 -3.649 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.510 21.058 -4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.346 18.211 -4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.592 19.420 -4.790 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.845 20.106 -6.804 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.559 18.379 -6.716 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.448 18.564 -8.922 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.195 18.418 -9.141 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.586 21.220 -3.224 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.356 21.776 -2.125 1.00 0.00 C ATOM 1325 C GLN A 89 -11.505 20.836 -1.753 1.00 0.00 C ATOM 1326 O GLN A 89 -12.257 20.396 -2.622 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.879 23.171 -2.471 1.00 0.00 C ATOM 1328 CG GLN A 89 -11.136 23.302 -3.974 1.00 0.00 C ATOM 1329 CD GLN A 89 -9.822 23.433 -4.746 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -8.950 24.217 -4.410 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -9.729 22.623 -5.797 1.00 0.00 N ATOM 0 H GLN A 89 -10.079 21.187 -4.116 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.699 21.875 -1.261 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.801 23.364 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.156 23.923 -2.155 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.685 22.430 -4.330 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.762 24.173 -4.165 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.497 21.990 -6.023 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.890 22.634 -6.377 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.605 20.557 -0.462 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.650 19.678 0.035 1.00 0.00 C ATOM 1342 C CYS A 90 -12.481 19.539 1.549 1.00 0.00 C ATOM 1343 O CYS A 90 -11.539 18.900 2.016 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.628 18.320 -0.670 1.00 0.00 C ATOM 1345 SG CYS A 90 -13.939 18.255 -1.945 1.00 0.00 S ATOM 0 H CYS A 90 -10.980 20.924 0.255 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.627 20.110 -0.181 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.654 18.156 -1.130 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.776 17.521 0.057 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.725 19.178 -2.835 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.408 20.147 2.274 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.374 20.099 3.726 1.00 0.00 C ATOM 1353 C ASP A 91 -12.987 18.688 4.176 1.00 0.00 C ATOM 1354 O ASP A 91 -12.099 18.521 5.010 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.745 20.425 4.320 1.00 0.00 C ATOM 1356 CG ASP A 91 -14.985 21.907 4.617 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -14.712 22.720 3.708 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -15.435 22.194 5.748 1.00 0.00 O ATOM 0 H ASP A 91 -14.188 20.676 1.883 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.648 20.835 4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.515 20.079 3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.868 19.860 5.244 1.00 0.00 H new ATOM 1363 N THR A 92 -13.673 17.710 3.604 1.00 0.00 N ATOM 1364 CA THR A 92 -13.413 16.320 3.936 1.00 0.00 C ATOM 1365 C THR A 92 -13.237 15.491 2.661 1.00 0.00 C ATOM 1366 O THR A 92 -14.107 15.491 1.792 1.00 0.00 O ATOM 1367 CB THR A 92 -14.552 15.825 4.829 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.711 16.861 5.794 1.00 0.00 O ATOM 1369 CG2 THR A 92 -14.158 14.601 5.657 1.00 0.00 C ATOM 0 H THR A 92 -14.409 17.853 2.912 1.00 0.00 H new ATOM 0 HA THR A 92 -12.479 16.214 4.488 1.00 0.00 H new ATOM 0 HB THR A 92 -15.417 15.582 4.212 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.432 16.623 6.414 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.002 14.291 6.273 1.00 0.00 H new ATOM 0 HG22 THR A 92 -13.876 13.786 4.990 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.314 14.852 6.299 1.00 0.00 H new ATOM 1377 N ILE A 93 -12.105 14.806 2.591 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.804 13.975 1.438 1.00 0.00 C ATOM 1379 C ILE A 93 -11.254 12.629 1.915 1.00 0.00 C ATOM 1380 O ILE A 93 -10.638 12.546 2.976 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.873 14.713 0.474 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -9.968 13.732 -0.274 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -10.069 15.790 1.206 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.820 13.255 0.617 1.00 0.00 C ATOM 0 H ILE A 93 -11.385 14.810 3.314 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.711 13.767 0.871 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.485 15.219 -0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.553 12.875 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.565 14.211 -1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.415 16.300 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.752 16.512 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.467 15.326 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.192 12.559 0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.223 14.111 0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.226 12.754 1.496 1.00 0.00 H new ATOM 1396 N THR A 94 -11.495 11.607 1.106 1.00 0.00 N ATOM 1397 CA THR A 94 -11.032 10.269 1.431 1.00 0.00 C ATOM 1398 C THR A 94 -9.879 9.865 0.510 1.00 0.00 C ATOM 1399 O THR A 94 -9.645 10.505 -0.514 1.00 0.00 O ATOM 1400 CB THR A 94 -12.231 9.322 1.356 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.319 10.099 1.848 1.00 0.00 O ATOM 1402 CG2 THR A 94 -12.124 8.161 2.346 1.00 0.00 C ATOM 0 H THR A 94 -12.005 11.679 0.226 1.00 0.00 H new ATOM 0 HA THR A 94 -10.628 10.225 2.443 1.00 0.00 H new ATOM 0 HB THR A 94 -12.319 8.928 0.344 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.138 9.561 1.832 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.000 7.520 2.251 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.226 7.582 2.132 1.00 0.00 H new ATOM 0 HG23 THR A 94 -12.070 8.553 3.362 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.189 8.806 0.908 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.066 8.310 0.131 1.00 0.00 C ATOM 1412 C ILE A 95 -8.099 6.780 0.116 1.00 0.00 C ATOM 1413 O ILE A 95 -8.402 6.152 1.130 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.752 8.892 0.655 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -6.548 10.323 0.155 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.571 7.987 0.300 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.501 11.054 0.997 1.00 0.00 C ATOM 0 H ILE A 95 -9.386 8.278 1.758 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.143 8.642 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.808 8.936 1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.233 10.306 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.494 10.864 0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.649 8.424 0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.720 7.003 0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.501 7.888 -0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.375 12.069 0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.830 11.091 2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.550 10.524 0.936 1.00 0.00 H new ATOM 1429 N LEU A 96 -7.783 6.224 -1.044 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.772 4.780 -1.204 1.00 0.00 C ATOM 1431 C LEU A 96 -6.333 4.305 -1.412 1.00 0.00 C ATOM 1432 O LEU A 96 -5.799 4.395 -2.517 1.00 0.00 O ATOM 1433 CB LEU A 96 -8.727 4.358 -2.323 1.00 0.00 C ATOM 1434 CG LEU A 96 -8.715 2.872 -2.689 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -9.262 2.020 -1.542 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.469 2.625 -3.998 1.00 0.00 C ATOM 0 H LEU A 96 -7.532 6.748 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.141 4.294 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.741 4.632 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.486 4.934 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.681 2.567 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.242 0.968 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.646 2.166 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.288 2.318 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.446 1.562 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.504 2.950 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.995 3.187 -4.803 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.745 3.810 -0.333 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.378 3.321 -0.383 1.00 0.00 C ATOM 1450 C ALA A 97 -4.390 1.794 -0.482 1.00 0.00 C ATOM 1451 O ALA A 97 -5.438 1.167 -0.331 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.611 3.819 0.844 1.00 0.00 C ATOM 0 H ALA A 97 -6.191 3.737 0.582 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.866 3.705 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.585 3.452 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.606 4.909 0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.094 3.452 1.749 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.214 1.239 -0.734 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.076 -0.202 -0.854 1.00 0.00 C ATOM 1460 C GLN A 98 -1.604 -0.605 -0.749 1.00 0.00 C ATOM 1461 O GLN A 98 -0.962 -0.892 -1.758 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.690 -0.704 -2.162 1.00 0.00 C ATOM 1463 CG GLN A 98 -3.549 -2.222 -2.288 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.169 -2.725 -3.593 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -3.795 -2.325 -4.683 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -5.136 -3.623 -3.421 1.00 0.00 N ATOM 0 H GLN A 98 -2.347 1.762 -0.858 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.620 -0.669 -0.033 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.744 -0.429 -2.202 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.201 -0.219 -3.007 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.495 -2.497 -2.253 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.033 -2.707 -1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.400 -3.914 -2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.613 -4.020 -4.230 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.113 -0.615 0.481 1.00 0.00 N ATOM 1476 CA TYR A 99 0.272 -0.979 0.731 1.00 0.00 C ATOM 1477 C TYR A 99 0.696 -2.157 -0.148 1.00 0.00 C ATOM 1478 O TYR A 99 -0.034 -3.139 -0.271 1.00 0.00 O ATOM 1479 CB TYR A 99 0.338 -1.403 2.199 1.00 0.00 C ATOM 1480 CG TYR A 99 1.741 -1.786 2.674 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.310 -2.973 2.258 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.438 -0.946 3.518 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.631 -3.334 2.704 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.759 -1.306 3.964 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.290 -2.482 3.536 1.00 0.00 C ATOM 1486 OH TYR A 99 5.537 -2.823 3.957 1.00 0.00 O ATOM 0 H TYR A 99 -1.649 -0.377 1.316 1.00 0.00 H new ATOM 0 HA TYR A 99 0.935 -0.143 0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.034 -0.588 2.819 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.330 -2.250 2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.764 -3.631 1.598 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.993 -0.018 3.844 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.088 -4.259 2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.315 -0.656 4.624 1.00 0.00 H new ATOM 0 HH TYR A 99 5.887 -2.121 4.545 1.00 0.00 H new ATOM 1496 N ASN A 100 1.876 -2.021 -0.736 1.00 0.00 N ATOM 1497 CA ASN A 100 2.406 -3.062 -1.599 1.00 0.00 C ATOM 1498 C ASN A 100 3.811 -3.442 -1.128 1.00 0.00 C ATOM 1499 O ASN A 100 4.734 -2.633 -1.199 1.00 0.00 O ATOM 1500 CB ASN A 100 2.508 -2.578 -3.047 1.00 0.00 C ATOM 1501 CG ASN A 100 2.892 -3.726 -3.983 1.00 0.00 C ATOM 1502 OD1 ASN A 100 2.529 -4.873 -3.782 1.00 0.00 O ATOM 1503 ND2 ASN A 100 3.644 -3.354 -5.015 1.00 0.00 N ATOM 0 H ASN A 100 2.480 -1.205 -0.631 1.00 0.00 H new ATOM 0 HA ASN A 100 1.731 -3.916 -1.551 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.555 -2.152 -3.360 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.250 -1.783 -3.117 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.952 -4.047 -5.697 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.913 -2.376 -5.124 1.00 0.00 H new ATOM 1510 N PRO A 101 3.933 -4.708 -0.646 1.00 0.00 N ATOM 1511 CA PRO A 101 5.210 -5.206 -0.163 1.00 0.00 C ATOM 1512 C PRO A 101 6.150 -5.523 -1.328 1.00 0.00 C ATOM 1513 O PRO A 101 6.663 -6.636 -1.431 1.00 0.00 O ATOM 1514 CB PRO A 101 4.865 -6.428 0.672 1.00 0.00 C ATOM 1515 CG PRO A 101 3.465 -6.841 0.248 1.00 0.00 C ATOM 1516 CD PRO A 101 2.861 -5.695 -0.547 1.00 0.00 C ATOM 0 HA PRO A 101 5.750 -4.472 0.435 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.579 -7.233 0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.898 -6.196 1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.501 -7.747 -0.356 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.852 -7.064 1.121 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.535 -6.026 -1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.987 -5.281 -0.044 1.00 0.00 H new