USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 TYR OH : rot 1:sc= -0.399 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 93:sc= -1.34! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.6) USER MOD Single : A 29 ASN : amide:sc= 0.875 K(o=0.87,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 29:sc= -2.98! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -8.4! C(o=-8.4!,f=-9.8!) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -0.129 F(o=-0.85,f=-0.13) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= 0.186 (180deg=0.168) USER MOD Single : A 77 SER OG : rot 39:sc= 0.512 USER MOD Single : A 78 MET CE :methyl -166:sc= -0.814 (180deg=-1.27) USER MOD Single : A 80 HIS :FLIP no HE2:sc= -0.315 F(o=-1.4,f=-0.31) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -2 F(o=-4.2!,f=-2) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 131:sc= -0.435 (180deg=-1.43!) USER MOD ----------------------------------------------------------------- ATOM 191 N TYR A 11 14.125 2.782 -2.095 1.00 0.00 N ATOM 192 CA TYR A 11 13.529 1.533 -2.557 1.00 0.00 C ATOM 193 C TYR A 11 12.119 1.364 -2.000 1.00 0.00 C ATOM 194 O TYR A 11 11.933 1.149 -0.802 1.00 0.00 O ATOM 195 CB TYR A 11 14.400 0.345 -2.143 1.00 0.00 C ATOM 196 CG TYR A 11 15.845 0.477 -2.565 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.191 0.574 -3.907 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.866 0.504 -1.622 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.511 0.694 -4.298 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.188 0.625 -2.004 1.00 0.00 C ATOM 201 CZ TYR A 11 18.505 0.720 -3.343 1.00 0.00 C ATOM 202 OH TYR A 11 19.821 0.839 -3.727 1.00 0.00 O ATOM 0 HA TYR A 11 13.468 1.569 -3.645 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.356 0.233 -1.060 1.00 0.00 H new ATOM 0 HB3 TYR A 11 13.986 -0.566 -2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.415 0.555 -4.658 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.621 0.429 -0.573 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.763 0.767 -5.346 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.969 0.645 -1.258 1.00 0.00 H new ATOM 0 HH TYR A 11 19.872 0.908 -4.703 1.00 0.00 H new ATOM 212 N VAL A 12 11.127 1.462 -2.880 1.00 0.00 N ATOM 213 CA VAL A 12 9.733 1.318 -2.479 1.00 0.00 C ATOM 214 C VAL A 12 8.936 0.550 -3.527 1.00 0.00 C ATOM 215 O VAL A 12 9.337 0.465 -4.688 1.00 0.00 O ATOM 216 CB VAL A 12 9.071 2.689 -2.248 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.593 2.522 -1.930 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.782 3.444 -1.135 1.00 0.00 C ATOM 0 H VAL A 12 11.263 1.640 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 12 9.729 0.759 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 12 9.157 3.273 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.142 3.501 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.095 2.025 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.481 1.919 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.301 4.410 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.730 2.866 -0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.826 3.597 -1.408 1.00 0.00 H new ATOM 228 N VAL A 13 7.804 -0.008 -3.111 1.00 0.00 N ATOM 229 CA VAL A 13 6.948 -0.768 -4.014 1.00 0.00 C ATOM 230 C VAL A 13 5.474 -0.518 -3.716 1.00 0.00 C ATOM 231 O VAL A 13 5.091 -0.297 -2.566 1.00 0.00 O ATOM 232 CB VAL A 13 7.231 -2.279 -3.918 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.617 -2.598 -4.459 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.088 -2.757 -2.481 1.00 0.00 C ATOM 0 H VAL A 13 7.458 0.052 -2.153 1.00 0.00 H new ATOM 0 HA VAL A 13 7.174 -0.427 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 13 6.498 -2.808 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.799 -3.670 -4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.679 -2.292 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.367 -2.060 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.291 -3.827 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.797 -2.223 -1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.073 -2.564 -2.133 1.00 0.00 H new ATOM 244 N LYS A 14 4.650 -0.555 -4.757 1.00 0.00 N ATOM 245 CA LYS A 14 3.217 -0.335 -4.608 1.00 0.00 C ATOM 246 C LYS A 14 2.437 -1.616 -4.886 1.00 0.00 C ATOM 247 O LYS A 14 2.555 -2.205 -5.962 1.00 0.00 O ATOM 248 CB LYS A 14 2.749 0.775 -5.553 1.00 0.00 C ATOM 249 CG LYS A 14 1.248 0.784 -5.784 1.00 0.00 C ATOM 250 CD LYS A 14 0.867 1.697 -6.937 1.00 0.00 C ATOM 251 CE LYS A 14 0.695 3.136 -6.475 1.00 0.00 C ATOM 252 NZ LYS A 14 0.114 3.996 -7.543 1.00 0.00 N ATOM 0 H LYS A 14 4.951 -0.736 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 14 3.027 -0.032 -3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.051 1.739 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.255 0.662 -6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.905 -0.229 -5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.741 1.112 -4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.636 1.651 -7.708 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.060 1.346 -7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.049 3.161 -5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.662 3.538 -6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.013 4.969 -7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.743 3.993 -8.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.820 3.628 -7.816 1.00 0.00 H new ATOM 266 N LEU A 15 1.641 -2.042 -3.913 1.00 0.00 N ATOM 267 CA LEU A 15 0.840 -3.253 -4.054 1.00 0.00 C ATOM 268 C LEU A 15 -0.624 -2.912 -4.311 1.00 0.00 C ATOM 269 O LEU A 15 -1.225 -2.122 -3.582 1.00 0.00 O ATOM 270 CB LEU A 15 0.961 -4.117 -2.797 1.00 0.00 C ATOM 271 CG LEU A 15 2.373 -4.572 -2.428 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.426 -5.025 -0.977 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.833 -5.689 -3.354 1.00 0.00 C ATOM 0 H LEU A 15 1.532 -1.567 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 15 1.219 -3.811 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.549 -3.559 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.338 -5.002 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 15 3.049 -3.726 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.439 -5.345 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.140 -4.198 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.737 -5.857 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.840 -6.000 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.154 -6.537 -3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.835 -5.331 -4.383 1.00 0.00 H new ATOM 285 N ARG A 16 -1.193 -3.513 -5.351 1.00 0.00 N ATOM 286 CA ARG A 16 -2.587 -3.273 -5.704 1.00 0.00 C ATOM 287 C ARG A 16 -3.388 -4.571 -5.666 1.00 0.00 C ATOM 288 O ARG A 16 -2.826 -5.663 -5.745 1.00 0.00 O ATOM 289 CB ARG A 16 -2.682 -2.643 -7.094 1.00 0.00 C ATOM 290 CG ARG A 16 -4.058 -2.083 -7.416 1.00 0.00 C ATOM 291 CD ARG A 16 -4.005 -1.114 -8.587 1.00 0.00 C ATOM 292 NE ARG A 16 -5.296 -0.474 -8.827 1.00 0.00 N ATOM 293 CZ ARG A 16 -6.280 -1.041 -9.514 1.00 0.00 C ATOM 294 NH1 ARG A 16 -6.122 -2.254 -10.027 1.00 0.00 N ATOM 295 NH2 ARG A 16 -7.426 -0.396 -9.690 1.00 0.00 N ATOM 0 H ARG A 16 -0.710 -4.170 -5.964 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.008 -2.585 -4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.946 -1.843 -7.172 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.420 -3.392 -7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.739 -2.901 -7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.459 -1.575 -6.539 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.252 -0.350 -8.392 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.692 -1.647 -9.485 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.450 0.460 -8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.243 -2.753 -9.894 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.880 -2.687 -10.554 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.552 0.537 -9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.181 -0.833 -10.218 1.00 0.00 H new ATOM 309 N GLY A 17 -4.706 -4.444 -5.544 1.00 0.00 N ATOM 310 CA GLY A 17 -5.563 -5.614 -5.497 1.00 0.00 C ATOM 311 C GLY A 17 -5.666 -6.202 -4.104 1.00 0.00 C ATOM 312 O GLY A 17 -6.213 -7.290 -3.920 1.00 0.00 O ATOM 0 H GLY A 17 -5.195 -3.552 -5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.559 -5.345 -5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.177 -6.371 -6.180 1.00 0.00 H new ATOM 316 N LEU A 18 -5.137 -5.484 -3.120 1.00 0.00 N ATOM 317 CA LEU A 18 -5.169 -5.942 -1.735 1.00 0.00 C ATOM 318 C LEU A 18 -6.596 -5.947 -1.197 1.00 0.00 C ATOM 319 O LEU A 18 -7.429 -5.120 -1.569 1.00 0.00 O ATOM 320 CB LEU A 18 -4.285 -5.051 -0.862 1.00 0.00 C ATOM 321 CG LEU A 18 -2.792 -5.058 -1.191 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.108 -3.838 -0.593 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.140 -6.337 -0.686 1.00 0.00 C ATOM 0 H LEU A 18 -4.680 -4.582 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.786 -6.962 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.649 -4.026 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.409 -5.357 0.177 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.679 -5.019 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.046 -3.860 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.556 -2.933 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.231 -3.846 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.078 -6.324 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.264 -6.407 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.611 -7.198 -1.161 1.00 0.00 H new ATOM 335 N PRO A 19 -6.887 -6.898 -0.297 1.00 0.00 N ATOM 336 CA PRO A 19 -8.212 -7.032 0.314 1.00 0.00 C ATOM 337 C PRO A 19 -8.525 -5.890 1.275 1.00 0.00 C ATOM 338 O PRO A 19 -7.628 -5.346 1.920 1.00 0.00 O ATOM 339 CB PRO A 19 -8.122 -8.359 1.071 1.00 0.00 C ATOM 340 CG PRO A 19 -6.670 -8.535 1.355 1.00 0.00 C ATOM 341 CD PRO A 19 -5.943 -7.917 0.193 1.00 0.00 C ATOM 0 HA PRO A 19 -9.008 -7.004 -0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.705 -8.330 1.992 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.511 -9.183 0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.394 -8.049 2.291 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.417 -9.590 1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.997 -7.473 0.501 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.713 -8.655 -0.576 1.00 0.00 H new ATOM 349 N TRP A 20 -9.800 -5.532 1.367 1.00 0.00 N ATOM 350 CA TRP A 20 -10.231 -4.455 2.251 1.00 0.00 C ATOM 351 C TRP A 20 -9.866 -4.761 3.699 1.00 0.00 C ATOM 352 O TRP A 20 -9.950 -3.892 4.567 1.00 0.00 O ATOM 353 CB TRP A 20 -11.739 -4.237 2.126 1.00 0.00 C ATOM 354 CG TRP A 20 -12.130 -3.476 0.896 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.408 -3.354 -0.257 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.335 -2.729 0.697 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.092 -2.577 -1.160 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.277 -2.182 -0.600 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.459 -2.471 1.487 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.299 -1.392 -1.120 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.472 -1.687 0.969 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.387 -1.155 -0.325 1.00 0.00 C ATOM 0 H TRP A 20 -10.554 -5.972 0.840 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.714 -3.543 1.951 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.239 -5.205 2.120 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.095 -3.700 3.005 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.441 -3.803 -0.433 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.769 -2.334 -2.096 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.534 -2.877 2.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.235 -0.981 -2.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.344 -1.481 1.571 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.196 -0.546 -0.702 1.00 0.00 H new ATOM 373 N SER A 21 -9.461 -6.001 3.954 1.00 0.00 N ATOM 374 CA SER A 21 -9.087 -6.422 5.299 1.00 0.00 C ATOM 375 C SER A 21 -7.588 -6.692 5.387 1.00 0.00 C ATOM 376 O SER A 21 -7.117 -7.340 6.322 1.00 0.00 O ATOM 377 CB SER A 21 -9.867 -7.676 5.699 1.00 0.00 C ATOM 378 OG SER A 21 -10.070 -7.725 7.101 1.00 0.00 O ATOM 0 H SER A 21 -9.383 -6.732 3.247 1.00 0.00 H new ATOM 0 HA SER A 21 -9.334 -5.614 5.988 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.830 -7.687 5.188 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.324 -8.564 5.376 1.00 0.00 H new ATOM 0 HG SER A 21 -10.572 -8.535 7.331 1.00 0.00 H new ATOM 384 N CYS A 22 -6.845 -6.191 4.407 1.00 0.00 N ATOM 385 CA CYS A 22 -5.399 -6.378 4.371 1.00 0.00 C ATOM 386 C CYS A 22 -4.728 -5.646 5.528 1.00 0.00 C ATOM 387 O CYS A 22 -5.046 -4.491 5.813 1.00 0.00 O ATOM 388 CB CYS A 22 -4.832 -5.882 3.040 1.00 0.00 C ATOM 389 SG CYS A 22 -3.118 -6.372 2.740 1.00 0.00 S ATOM 0 H CYS A 22 -7.220 -5.652 3.626 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.193 -7.444 4.470 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.454 -6.260 2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.898 -4.794 3.012 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.096 -7.484 2.066 1.00 0.00 H new ATOM 395 N SER A 23 -3.799 -6.326 6.193 1.00 0.00 N ATOM 396 CA SER A 23 -3.086 -5.741 7.323 1.00 0.00 C ATOM 397 C SER A 23 -1.578 -5.796 7.101 1.00 0.00 C ATOM 398 O SER A 23 -1.079 -6.641 6.356 1.00 0.00 O ATOM 399 CB SER A 23 -3.450 -6.474 8.616 1.00 0.00 C ATOM 400 OG SER A 23 -4.803 -6.243 8.970 1.00 0.00 O ATOM 0 H SER A 23 -3.523 -7.282 5.969 1.00 0.00 H new ATOM 0 HA SER A 23 -3.385 -4.696 7.409 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.281 -7.544 8.491 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.798 -6.140 9.423 1.00 0.00 H new ATOM 0 HG SER A 23 -5.011 -6.723 9.798 1.00 0.00 H new ATOM 406 N ILE A 24 -0.857 -4.891 7.753 1.00 0.00 N ATOM 407 CA ILE A 24 0.595 -4.836 7.629 1.00 0.00 C ATOM 408 C ILE A 24 1.200 -6.236 7.633 1.00 0.00 C ATOM 409 O ILE A 24 2.149 -6.514 6.901 1.00 0.00 O ATOM 410 CB ILE A 24 1.227 -4.012 8.766 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.820 -2.542 8.647 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.741 -4.151 8.742 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.245 -1.699 9.829 1.00 0.00 C ATOM 0 H ILE A 24 -1.254 -4.185 8.373 1.00 0.00 H new ATOM 0 HA ILE A 24 0.812 -4.351 6.677 1.00 0.00 H new ATOM 0 HB ILE A 24 0.861 -4.395 9.719 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.255 -2.125 7.739 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.263 -2.481 8.538 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.173 -3.563 9.552 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.012 -5.199 8.870 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.124 -3.791 7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.923 -0.669 9.676 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.788 -2.090 10.738 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.330 -1.729 9.926 1.00 0.00 H new ATOM 425 N GLU A 25 0.642 -7.113 8.462 1.00 0.00 N ATOM 426 CA GLU A 25 1.127 -8.484 8.561 1.00 0.00 C ATOM 427 C GLU A 25 1.084 -9.176 7.201 1.00 0.00 C ATOM 428 O GLU A 25 2.085 -9.724 6.739 1.00 0.00 O ATOM 429 CB GLU A 25 0.293 -9.272 9.573 1.00 0.00 C ATOM 430 CG GLU A 25 0.703 -9.034 11.017 1.00 0.00 C ATOM 431 CD GLU A 25 -0.045 -7.879 11.652 1.00 0.00 C ATOM 432 OE1 GLU A 25 -1.202 -8.081 12.076 1.00 0.00 O ATOM 433 OE2 GLU A 25 0.527 -6.771 11.726 1.00 0.00 O ATOM 0 H GLU A 25 -0.145 -6.898 9.074 1.00 0.00 H new ATOM 0 HA GLU A 25 2.162 -8.452 8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.757 -9.004 9.453 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.377 -10.336 9.351 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.524 -9.940 11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.774 -8.835 11.059 1.00 0.00 H new ATOM 440 N ASP A 26 -0.083 -9.147 6.566 1.00 0.00 N ATOM 441 CA ASP A 26 -0.258 -9.770 5.260 1.00 0.00 C ATOM 442 C ASP A 26 0.797 -9.274 4.276 1.00 0.00 C ATOM 443 O ASP A 26 1.328 -10.047 3.478 1.00 0.00 O ATOM 444 CB ASP A 26 -1.658 -9.478 4.716 1.00 0.00 C ATOM 445 CG ASP A 26 -2.682 -10.496 5.177 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.296 -11.660 5.415 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.870 -10.130 5.300 1.00 0.00 O ATOM 0 H ASP A 26 -0.921 -8.699 6.935 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.140 -10.847 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.969 -8.484 5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.626 -9.467 3.627 1.00 0.00 H new ATOM 452 N VAL A 27 1.095 -7.981 4.337 1.00 0.00 N ATOM 453 CA VAL A 27 2.087 -7.382 3.452 1.00 0.00 C ATOM 454 C VAL A 27 3.489 -7.881 3.780 1.00 0.00 C ATOM 455 O VAL A 27 4.212 -8.351 2.902 1.00 0.00 O ATOM 456 CB VAL A 27 2.066 -5.844 3.544 1.00 0.00 C ATOM 457 CG1 VAL A 27 2.958 -5.233 2.474 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.642 -5.323 3.425 1.00 0.00 C ATOM 0 H VAL A 27 0.664 -7.327 4.990 1.00 0.00 H new ATOM 0 HA VAL A 27 1.827 -7.681 2.437 1.00 0.00 H new ATOM 0 HB VAL A 27 2.455 -5.550 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.931 -4.146 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.982 -5.581 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.602 -5.533 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.646 -4.235 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.223 -5.626 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.036 -5.734 4.232 1.00 0.00 H new ATOM 468 N GLN A 28 3.867 -7.776 5.050 1.00 0.00 N ATOM 469 CA GLN A 28 5.184 -8.217 5.494 1.00 0.00 C ATOM 470 C GLN A 28 5.478 -9.631 5.005 1.00 0.00 C ATOM 471 O GLN A 28 6.535 -9.893 4.433 1.00 0.00 O ATOM 472 CB GLN A 28 5.275 -8.163 7.020 1.00 0.00 C ATOM 473 CG GLN A 28 5.403 -6.752 7.572 1.00 0.00 C ATOM 474 CD GLN A 28 5.436 -6.719 9.087 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.424 -6.956 9.747 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.604 -6.425 9.647 1.00 0.00 N ATOM 0 H GLN A 28 3.280 -7.390 5.789 1.00 0.00 H new ATOM 0 HA GLN A 28 5.928 -7.543 5.068 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.388 -8.632 7.445 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.133 -8.751 7.346 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.313 -6.295 7.183 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.566 -6.150 7.217 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.417 -6.235 9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.688 -6.389 10.663 1.00 0.00 H new ATOM 485 N ASN A 29 4.535 -10.540 5.235 1.00 0.00 N ATOM 486 CA ASN A 29 4.694 -11.928 4.818 1.00 0.00 C ATOM 487 C ASN A 29 4.653 -12.048 3.298 1.00 0.00 C ATOM 488 O ASN A 29 5.367 -12.861 2.709 1.00 0.00 O ATOM 489 CB ASN A 29 3.597 -12.797 5.438 1.00 0.00 C ATOM 490 CG ASN A 29 3.822 -13.042 6.918 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.307 -14.101 7.316 1.00 0.00 O ATOM 492 ND2 ASN A 29 3.469 -12.061 7.741 1.00 0.00 N ATOM 0 H ASN A 29 3.654 -10.340 5.708 1.00 0.00 H new ATOM 0 HA ASN A 29 5.666 -12.276 5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.630 -12.314 5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.556 -13.753 4.916 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.596 -12.169 8.747 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.071 -11.200 7.367 1.00 0.00 H new ATOM 499 N PHE A 30 3.815 -11.232 2.667 1.00 0.00 N ATOM 500 CA PHE A 30 3.681 -11.246 1.215 1.00 0.00 C ATOM 501 C PHE A 30 5.016 -10.937 0.543 1.00 0.00 C ATOM 502 O PHE A 30 5.428 -11.626 -0.391 1.00 0.00 O ATOM 503 CB PHE A 30 2.625 -10.233 0.769 1.00 0.00 C ATOM 504 CG PHE A 30 2.456 -10.161 -0.721 1.00 0.00 C ATOM 505 CD1 PHE A 30 3.348 -9.441 -1.500 1.00 0.00 C ATOM 506 CD2 PHE A 30 1.404 -10.813 -1.344 1.00 0.00 C ATOM 507 CE1 PHE A 30 3.194 -9.373 -2.871 1.00 0.00 C ATOM 508 CE2 PHE A 30 1.244 -10.748 -2.716 1.00 0.00 C ATOM 509 CZ PHE A 30 2.141 -10.028 -3.480 1.00 0.00 C ATOM 0 H PHE A 30 3.218 -10.552 3.139 1.00 0.00 H new ATOM 0 HA PHE A 30 3.365 -12.245 0.914 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.669 -10.493 1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.898 -9.247 1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.173 -8.927 -1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.701 -11.379 -0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.896 -8.808 -3.466 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.419 -11.260 -3.189 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.020 -9.977 -4.552 1.00 0.00 H new ATOM 519 N LEU A 31 5.686 -9.896 1.024 1.00 0.00 N ATOM 520 CA LEU A 31 6.975 -9.494 0.471 1.00 0.00 C ATOM 521 C LEU A 31 8.124 -10.089 1.278 1.00 0.00 C ATOM 522 O LEU A 31 9.135 -9.429 1.516 1.00 0.00 O ATOM 523 CB LEU A 31 7.088 -7.969 0.448 1.00 0.00 C ATOM 524 CG LEU A 31 6.279 -7.251 -0.633 1.00 0.00 C ATOM 525 CD1 LEU A 31 6.621 -5.770 -0.661 1.00 0.00 C ATOM 526 CD2 LEU A 31 6.529 -7.884 -1.994 1.00 0.00 C ATOM 0 H LEU A 31 5.358 -9.315 1.796 1.00 0.00 H new ATOM 0 HA LEU A 31 7.039 -9.873 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.776 -7.587 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.138 -7.705 0.323 1.00 0.00 H new ATOM 0 HG LEU A 31 5.220 -7.353 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.036 -5.276 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.390 -5.325 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.683 -5.646 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.945 -7.361 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.589 -7.813 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.232 -8.932 -1.968 1.00 0.00 H new ATOM 538 N SER A 32 7.962 -11.341 1.694 1.00 0.00 N ATOM 539 CA SER A 32 8.986 -12.025 2.476 1.00 0.00 C ATOM 540 C SER A 32 10.347 -11.923 1.796 1.00 0.00 C ATOM 541 O SER A 32 11.315 -11.442 2.387 1.00 0.00 O ATOM 542 CB SER A 32 8.610 -13.494 2.673 1.00 0.00 C ATOM 543 OG SER A 32 9.235 -14.031 3.826 1.00 0.00 O ATOM 0 H SER A 32 7.132 -11.902 1.503 1.00 0.00 H new ATOM 0 HA SER A 32 9.049 -11.540 3.450 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.528 -13.586 2.766 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.905 -14.069 1.795 1.00 0.00 H new ATOM 0 HG SER A 32 8.977 -14.971 3.930 1.00 0.00 H new ATOM 549 N ASP A 33 10.414 -12.379 0.550 1.00 0.00 N ATOM 550 CA ASP A 33 11.657 -12.339 -0.213 1.00 0.00 C ATOM 551 C ASP A 33 12.293 -10.954 -0.143 1.00 0.00 C ATOM 552 O ASP A 33 13.485 -10.794 -0.410 1.00 0.00 O ATOM 553 CB ASP A 33 11.397 -12.721 -1.671 1.00 0.00 C ATOM 554 CG ASP A 33 10.062 -12.209 -2.175 1.00 0.00 C ATOM 555 OD1 ASP A 33 9.022 -12.774 -1.778 1.00 0.00 O ATOM 556 OD2 ASP A 33 10.058 -11.243 -2.967 1.00 0.00 O ATOM 0 H ASP A 33 9.623 -12.780 0.047 1.00 0.00 H new ATOM 0 HA ASP A 33 12.348 -13.059 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.195 -12.321 -2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.427 -13.806 -1.770 1.00 0.00 H new ATOM 561 N CYS A 34 11.492 -9.958 0.217 1.00 0.00 N ATOM 562 CA CYS A 34 11.976 -8.586 0.320 1.00 0.00 C ATOM 563 C CYS A 34 12.224 -8.205 1.776 1.00 0.00 C ATOM 564 O CYS A 34 11.535 -8.679 2.680 1.00 0.00 O ATOM 565 CB CYS A 34 10.972 -7.619 -0.309 1.00 0.00 C ATOM 566 SG CYS A 34 10.361 -8.141 -1.929 1.00 0.00 S ATOM 0 H CYS A 34 10.504 -10.075 0.443 1.00 0.00 H new ATOM 0 HA CYS A 34 12.920 -8.519 -0.220 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.125 -7.501 0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.440 -6.639 -0.407 1.00 0.00 H new ATOM 0 HG CYS A 34 10.377 -9.439 -2.001 1.00 0.00 H new ATOM 572 N THR A 35 13.214 -7.346 1.998 1.00 0.00 N ATOM 573 CA THR A 35 13.555 -6.903 3.344 1.00 0.00 C ATOM 574 C THR A 35 12.982 -5.519 3.629 1.00 0.00 C ATOM 575 O THR A 35 13.691 -4.516 3.550 1.00 0.00 O ATOM 576 CB THR A 35 15.080 -6.868 3.554 1.00 0.00 C ATOM 577 OG1 THR A 35 15.641 -8.159 3.291 1.00 0.00 O ATOM 578 CG2 THR A 35 15.421 -6.441 4.974 1.00 0.00 C ATOM 0 H THR A 35 13.794 -6.943 1.262 1.00 0.00 H new ATOM 0 HA THR A 35 13.117 -7.624 4.035 1.00 0.00 H new ATOM 0 HB THR A 35 15.503 -6.141 2.861 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.611 -8.128 3.425 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.504 -6.424 5.099 1.00 0.00 H new ATOM 0 HG22 THR A 35 15.018 -5.446 5.161 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.986 -7.147 5.681 1.00 0.00 H new ATOM 586 N ILE A 36 11.697 -5.473 3.962 1.00 0.00 N ATOM 587 CA ILE A 36 11.030 -4.212 4.261 1.00 0.00 C ATOM 588 C ILE A 36 11.812 -3.408 5.294 1.00 0.00 C ATOM 589 O ILE A 36 12.316 -3.960 6.274 1.00 0.00 O ATOM 590 CB ILE A 36 9.599 -4.441 4.781 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.758 -5.160 3.724 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.957 -3.117 5.166 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.476 -5.750 4.270 1.00 0.00 C ATOM 0 H ILE A 36 11.097 -6.295 4.032 1.00 0.00 H new ATOM 0 HA ILE A 36 10.983 -3.651 3.328 1.00 0.00 H new ATOM 0 HB ILE A 36 9.647 -5.071 5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.515 -4.458 2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.354 -5.956 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.946 -3.296 5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.547 -2.641 5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.917 -2.465 4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.931 -6.244 3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.712 -6.476 5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.860 -4.955 4.691 1.00 0.00 H new ATOM 605 N HIS A 37 11.908 -2.102 5.071 1.00 0.00 N ATOM 606 CA HIS A 37 12.627 -1.221 5.984 1.00 0.00 C ATOM 607 C HIS A 37 11.760 -0.861 7.187 1.00 0.00 C ATOM 608 O HIS A 37 10.636 -0.384 7.034 1.00 0.00 O ATOM 609 CB HIS A 37 13.066 0.052 5.259 1.00 0.00 C ATOM 610 CG HIS A 37 13.358 1.196 6.181 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.608 1.435 6.711 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.553 2.170 6.665 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.559 2.507 7.483 1.00 0.00 C ATOM 614 NE2 HIS A 37 13.323 2.972 7.471 1.00 0.00 N ATOM 0 H HIS A 37 11.497 -1.630 4.266 1.00 0.00 H new ATOM 0 HA HIS A 37 13.511 -1.751 6.340 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.956 -0.165 4.669 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.285 0.350 4.560 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.501 2.294 6.456 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.388 2.930 8.030 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.994 3.793 7.978 1.00 0.00 H new ATOM 623 N ASP A 38 12.290 -1.095 8.383 1.00 0.00 N ATOM 624 CA ASP A 38 11.565 -0.796 9.612 1.00 0.00 C ATOM 625 C ASP A 38 10.322 -1.672 9.737 1.00 0.00 C ATOM 626 O ASP A 38 9.356 -1.305 10.405 1.00 0.00 O ATOM 627 CB ASP A 38 11.169 0.681 9.650 1.00 0.00 C ATOM 628 CG ASP A 38 12.368 1.604 9.562 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.487 1.103 9.319 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.189 2.827 9.735 1.00 0.00 O ATOM 0 H ASP A 38 13.219 -1.491 8.527 1.00 0.00 H new ATOM 0 HA ASP A 38 12.224 -1.009 10.454 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.489 0.893 8.825 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.624 0.885 10.572 1.00 0.00 H new ATOM 635 N GLY A 39 10.353 -2.832 9.087 1.00 0.00 N ATOM 636 CA GLY A 39 9.224 -3.741 9.137 1.00 0.00 C ATOM 637 C GLY A 39 7.893 -3.015 9.112 1.00 0.00 C ATOM 638 O GLY A 39 7.662 -2.156 8.261 1.00 0.00 O ATOM 0 H GLY A 39 11.141 -3.158 8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.276 -4.427 8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.288 -4.345 10.042 1.00 0.00 H new ATOM 642 N VAL A 40 7.015 -3.359 10.049 1.00 0.00 N ATOM 643 CA VAL A 40 5.700 -2.735 10.131 1.00 0.00 C ATOM 644 C VAL A 40 5.796 -1.225 9.941 1.00 0.00 C ATOM 645 O VAL A 40 4.879 -0.595 9.416 1.00 0.00 O ATOM 646 CB VAL A 40 5.022 -3.029 11.482 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.778 -4.522 11.643 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.866 -2.492 12.629 1.00 0.00 C ATOM 0 H VAL A 40 7.191 -4.067 10.762 1.00 0.00 H new ATOM 0 HA VAL A 40 5.097 -3.162 9.330 1.00 0.00 H new ATOM 0 HB VAL A 40 4.057 -2.523 11.503 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.298 -4.711 12.603 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.131 -4.874 10.839 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.729 -5.053 11.602 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.372 -2.708 13.576 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.846 -2.968 12.614 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.985 -1.414 12.520 1.00 0.00 H new ATOM 658 N ALA A 41 6.914 -0.650 10.372 1.00 0.00 N ATOM 659 CA ALA A 41 7.132 0.786 10.248 1.00 0.00 C ATOM 660 C ALA A 41 7.631 1.146 8.853 1.00 0.00 C ATOM 661 O ALA A 41 8.244 2.194 8.654 1.00 0.00 O ATOM 662 CB ALA A 41 8.119 1.263 11.303 1.00 0.00 C ATOM 0 H ALA A 41 7.683 -1.157 10.810 1.00 0.00 H new ATOM 0 HA ALA A 41 6.178 1.289 10.406 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.272 2.337 11.199 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.723 1.048 12.295 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.070 0.746 11.172 1.00 0.00 H new ATOM 668 N GLY A 42 7.364 0.270 7.889 1.00 0.00 N ATOM 669 CA GLY A 42 7.794 0.515 6.524 1.00 0.00 C ATOM 670 C GLY A 42 6.668 0.348 5.523 1.00 0.00 C ATOM 671 O GLY A 42 6.818 0.683 4.348 1.00 0.00 O ATOM 0 H GLY A 42 6.858 -0.605 8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.196 1.525 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.604 -0.170 6.273 1.00 0.00 H new ATOM 675 N VAL A 43 5.537 -0.172 5.988 1.00 0.00 N ATOM 676 CA VAL A 43 4.381 -0.383 5.125 1.00 0.00 C ATOM 677 C VAL A 43 3.393 0.773 5.236 1.00 0.00 C ATOM 678 O VAL A 43 3.002 1.166 6.336 1.00 0.00 O ATOM 679 CB VAL A 43 3.656 -1.698 5.469 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.447 -1.893 4.567 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.610 -2.877 5.358 1.00 0.00 C ATOM 0 H VAL A 43 5.396 -0.455 6.958 1.00 0.00 H new ATOM 0 HA VAL A 43 4.756 -0.440 4.103 1.00 0.00 H new ATOM 0 HB VAL A 43 3.305 -1.640 6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.948 -2.827 4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.755 -1.062 4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.771 -1.930 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.081 -3.798 5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.993 -2.940 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.441 -2.739 6.050 1.00 0.00 H new ATOM 691 N HIS A 44 2.993 1.315 4.090 1.00 0.00 N ATOM 692 CA HIS A 44 2.049 2.426 4.059 1.00 0.00 C ATOM 693 C HIS A 44 0.841 2.089 3.190 1.00 0.00 C ATOM 694 O HIS A 44 0.948 2.003 1.967 1.00 0.00 O ATOM 695 CB HIS A 44 2.733 3.689 3.533 1.00 0.00 C ATOM 696 CG HIS A 44 3.972 4.059 4.290 1.00 0.00 C ATOM 697 ND1 HIS A 44 5.237 3.586 4.203 1.00 0.00 N flip ATOM 698 CD2 HIS A 44 3.991 5.023 5.275 1.00 0.00 C flip ATOM 699 CE1 HIS A 44 5.991 4.268 5.126 1.00 0.00 C flip ATOM 700 NE2 HIS A 44 5.216 5.129 5.760 1.00 0.00 N flip ATOM 0 H HIS A 44 3.308 1.003 3.171 1.00 0.00 H new ATOM 0 HA HIS A 44 1.703 2.605 5.077 1.00 0.00 H new ATOM 0 HB2 HIS A 44 2.988 3.544 2.483 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.028 4.519 3.578 1.00 0.00 H new ATOM 0 HD2 HIS A 44 3.139 5.601 5.600 1.00 0.00 H new ATOM 0 HE1 HIS A 44 7.046 4.124 5.304 1.00 0.00 H new ATOM 0 HE2 HIS A 44 5.512 5.767 6.498 1.00 0.00 H new ATOM 709 N PHE A 45 -0.307 1.897 3.831 1.00 0.00 N ATOM 710 CA PHE A 45 -1.535 1.567 3.118 1.00 0.00 C ATOM 711 C PHE A 45 -2.175 2.821 2.528 1.00 0.00 C ATOM 712 O PHE A 45 -2.007 3.922 3.053 1.00 0.00 O ATOM 713 CB PHE A 45 -2.523 0.869 4.055 1.00 0.00 C ATOM 714 CG PHE A 45 -2.233 -0.592 4.251 1.00 0.00 C ATOM 715 CD1 PHE A 45 -2.734 -1.535 3.369 1.00 0.00 C ATOM 716 CD2 PHE A 45 -1.460 -1.021 5.318 1.00 0.00 C ATOM 717 CE1 PHE A 45 -2.469 -2.880 3.546 1.00 0.00 C ATOM 718 CE2 PHE A 45 -1.192 -2.364 5.500 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.697 -3.295 4.614 1.00 0.00 C ATOM 0 H PHE A 45 -0.412 1.964 4.843 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.281 0.891 2.301 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.507 1.368 5.024 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.531 0.981 3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.339 -1.216 2.533 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.063 -0.298 6.015 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.865 -3.605 2.851 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.588 -2.686 6.335 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.489 -4.345 4.756 1.00 0.00 H new ATOM 729 N ILE A 46 -2.909 2.644 1.435 1.00 0.00 N ATOM 730 CA ILE A 46 -3.575 3.760 0.774 1.00 0.00 C ATOM 731 C ILE A 46 -5.062 3.790 1.111 1.00 0.00 C ATOM 732 O ILE A 46 -5.744 2.767 1.050 1.00 0.00 O ATOM 733 CB ILE A 46 -3.408 3.690 -0.755 1.00 0.00 C ATOM 734 CG1 ILE A 46 -1.924 3.631 -1.126 1.00 0.00 C ATOM 735 CG2 ILE A 46 -4.077 4.885 -1.417 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.185 4.924 -0.867 1.00 0.00 C ATOM 0 H ILE A 46 -3.058 1.739 0.988 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.103 4.671 1.141 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.891 2.782 -1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.448 2.830 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.832 3.374 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.950 4.821 -2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.140 4.886 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.621 5.805 -1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.139 4.809 -1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.636 5.725 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.246 5.172 0.193 1.00 0.00 H new ATOM 881 N GLY A 55 -7.193 -0.126 -1.657 1.00 0.00 N ATOM 882 CA GLY A 55 -6.527 -1.353 -2.054 1.00 0.00 C ATOM 883 C GLY A 55 -5.031 -1.173 -2.221 1.00 0.00 C ATOM 884 O GLY A 55 -4.255 -2.085 -1.938 1.00 0.00 O ATOM 0 HA2 GLY A 55 -6.716 -2.123 -1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.954 -1.707 -2.992 1.00 0.00 H new ATOM 888 N GLU A 56 -4.626 0.006 -2.682 1.00 0.00 N ATOM 889 CA GLU A 56 -3.213 0.301 -2.888 1.00 0.00 C ATOM 890 C GLU A 56 -2.479 0.404 -1.554 1.00 0.00 C ATOM 891 O GLU A 56 -3.046 0.841 -0.553 1.00 0.00 O ATOM 892 CB GLU A 56 -3.050 1.604 -3.674 1.00 0.00 C ATOM 893 CG GLU A 56 -3.335 1.458 -5.160 1.00 0.00 C ATOM 894 CD GLU A 56 -3.726 2.770 -5.810 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.380 3.594 -5.137 1.00 0.00 O ATOM 896 OE2 GLU A 56 -3.378 2.974 -6.992 1.00 0.00 O ATOM 0 H GLU A 56 -5.256 0.772 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.777 -0.517 -3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.719 2.356 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.033 1.973 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.451 1.059 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.136 0.733 -5.303 1.00 0.00 H new ATOM 903 N ALA A 57 -1.213 -0.001 -1.549 1.00 0.00 N ATOM 904 CA ALA A 57 -0.401 0.046 -0.340 1.00 0.00 C ATOM 905 C ALA A 57 1.086 0.006 -0.676 1.00 0.00 C ATOM 906 O ALA A 57 1.574 -0.961 -1.262 1.00 0.00 O ATOM 907 CB ALA A 57 -0.766 -1.103 0.587 1.00 0.00 C ATOM 0 H ALA A 57 -0.728 -0.365 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.607 0.987 0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.151 -1.055 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.818 -1.028 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.591 -2.051 0.078 1.00 0.00 H new ATOM 913 N PHE A 58 1.802 1.061 -0.303 1.00 0.00 N ATOM 914 CA PHE A 58 3.233 1.147 -0.566 1.00 0.00 C ATOM 915 C PHE A 58 4.029 0.415 0.511 1.00 0.00 C ATOM 916 O PHE A 58 3.541 0.197 1.619 1.00 0.00 O ATOM 917 CB PHE A 58 3.674 2.610 -0.636 1.00 0.00 C ATOM 918 CG PHE A 58 3.144 3.339 -1.837 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.785 3.565 -1.983 1.00 0.00 C ATOM 920 CD2 PHE A 58 4.005 3.800 -2.821 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.294 4.235 -3.088 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.520 4.471 -3.928 1.00 0.00 C ATOM 923 CZ PHE A 58 2.163 4.689 -4.061 1.00 0.00 C ATOM 0 H PHE A 58 1.414 1.869 0.183 1.00 0.00 H new ATOM 0 HA PHE A 58 3.429 0.670 -1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.343 3.124 0.266 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.763 2.653 -0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.101 3.214 -1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.067 3.633 -2.721 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.232 4.403 -3.190 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.201 4.824 -4.688 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.782 5.214 -4.925 1.00 0.00 H new ATOM 933 N VAL A 59 5.259 0.038 0.176 1.00 0.00 N ATOM 934 CA VAL A 59 6.124 -0.669 1.113 1.00 0.00 C ATOM 935 C VAL A 59 7.590 -0.324 0.875 1.00 0.00 C ATOM 936 O VAL A 59 8.099 -0.466 -0.236 1.00 0.00 O ATOM 937 CB VAL A 59 5.943 -2.195 1.002 1.00 0.00 C ATOM 938 CG1 VAL A 59 6.877 -2.914 1.963 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.495 -2.579 1.265 1.00 0.00 C ATOM 0 H VAL A 59 5.679 0.210 -0.737 1.00 0.00 H new ATOM 0 HA VAL A 59 5.836 -0.348 2.114 1.00 0.00 H new ATOM 0 HB VAL A 59 6.198 -2.502 -0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.735 -3.991 1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.910 -2.662 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.656 -2.605 2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.385 -3.660 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.211 -2.261 2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.851 -2.092 0.533 1.00 0.00 H new ATOM 949 N GLU A 60 8.263 0.131 1.928 1.00 0.00 N ATOM 950 CA GLU A 60 9.671 0.498 1.833 1.00 0.00 C ATOM 951 C GLU A 60 10.562 -0.738 1.927 1.00 0.00 C ATOM 952 O GLU A 60 10.225 -1.710 2.604 1.00 0.00 O ATOM 953 CB GLU A 60 10.038 1.490 2.938 1.00 0.00 C ATOM 954 CG GLU A 60 9.748 2.937 2.578 1.00 0.00 C ATOM 955 CD GLU A 60 10.922 3.616 1.900 1.00 0.00 C ATOM 956 OE1 GLU A 60 11.579 2.966 1.060 1.00 0.00 O ATOM 957 OE2 GLU A 60 11.184 4.797 2.209 1.00 0.00 O ATOM 0 H GLU A 60 7.856 0.254 2.855 1.00 0.00 H new ATOM 0 HA GLU A 60 9.833 0.969 0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.488 1.232 3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.098 1.387 3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.880 2.977 1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.487 3.487 3.482 1.00 0.00 H new ATOM 964 N LEU A 61 11.699 -0.693 1.242 1.00 0.00 N ATOM 965 CA LEU A 61 12.640 -1.808 1.246 1.00 0.00 C ATOM 966 C LEU A 61 13.956 -1.408 1.907 1.00 0.00 C ATOM 967 O LEU A 61 14.173 -0.238 2.219 1.00 0.00 O ATOM 968 CB LEU A 61 12.899 -2.288 -0.183 1.00 0.00 C ATOM 969 CG LEU A 61 11.666 -2.714 -0.981 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.059 -3.121 -2.393 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.942 -3.853 -0.278 1.00 0.00 C ATOM 0 H LEU A 61 11.992 0.104 0.676 1.00 0.00 H new ATOM 0 HA LEU A 61 12.198 -2.622 1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.402 -1.489 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.590 -3.130 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 61 10.987 -1.864 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.169 -3.421 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.532 -2.278 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.758 -3.956 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.067 -4.143 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.613 -4.707 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.626 -3.527 0.713 1.00 0.00 H new ATOM 983 N GLU A 62 14.830 -2.388 2.113 1.00 0.00 N ATOM 984 CA GLU A 62 16.125 -2.136 2.735 1.00 0.00 C ATOM 985 C GLU A 62 17.179 -1.808 1.682 1.00 0.00 C ATOM 986 O GLU A 62 17.962 -0.872 1.842 1.00 0.00 O ATOM 987 CB GLU A 62 16.567 -3.351 3.554 1.00 0.00 C ATOM 988 CG GLU A 62 17.915 -3.171 4.231 1.00 0.00 C ATOM 989 CD GLU A 62 17.816 -2.400 5.533 1.00 0.00 C ATOM 990 OE1 GLU A 62 16.876 -1.589 5.671 1.00 0.00 O ATOM 991 OE2 GLU A 62 18.677 -2.607 6.413 1.00 0.00 O ATOM 0 H GLU A 62 14.666 -3.362 1.859 1.00 0.00 H new ATOM 0 HA GLU A 62 16.020 -1.278 3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.814 -3.560 4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.612 -4.222 2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.353 -4.150 4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.590 -2.648 3.554 1.00 0.00 H new ATOM 998 N SER A 63 17.194 -2.587 0.605 1.00 0.00 N ATOM 999 CA SER A 63 18.155 -2.383 -0.473 1.00 0.00 C ATOM 1000 C SER A 63 17.478 -2.507 -1.835 1.00 0.00 C ATOM 1001 O SER A 63 16.290 -2.817 -1.923 1.00 0.00 O ATOM 1002 CB SER A 63 19.297 -3.394 -0.365 1.00 0.00 C ATOM 1003 OG SER A 63 19.781 -3.476 0.965 1.00 0.00 O ATOM 0 H SER A 63 16.552 -3.365 0.456 1.00 0.00 H new ATOM 0 HA SER A 63 18.561 -1.376 -0.379 1.00 0.00 H new ATOM 0 HB2 SER A 63 18.951 -4.375 -0.690 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.108 -3.104 -1.033 1.00 0.00 H new ATOM 0 HG SER A 63 20.510 -4.130 1.008 1.00 0.00 H new ATOM 1009 N GLU A 64 18.243 -2.263 -2.894 1.00 0.00 N ATOM 1010 CA GLU A 64 17.718 -2.346 -4.251 1.00 0.00 C ATOM 1011 C GLU A 64 17.202 -3.751 -4.549 1.00 0.00 C ATOM 1012 O GLU A 64 16.042 -3.933 -4.917 1.00 0.00 O ATOM 1013 CB GLU A 64 18.797 -1.961 -5.265 1.00 0.00 C ATOM 1014 CG GLU A 64 18.255 -1.685 -6.657 1.00 0.00 C ATOM 1015 CD GLU A 64 19.290 -1.062 -7.574 1.00 0.00 C ATOM 1016 OE1 GLU A 64 20.046 -1.820 -8.216 1.00 0.00 O ATOM 1017 OE2 GLU A 64 19.343 0.183 -7.648 1.00 0.00 O ATOM 0 H GLU A 64 19.229 -2.006 -2.838 1.00 0.00 H new ATOM 0 HA GLU A 64 16.886 -1.646 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.321 -1.075 -4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.532 -2.764 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.901 -2.618 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.394 -1.020 -6.582 1.00 0.00 H new ATOM 1024 N ASP A 65 18.074 -4.741 -4.389 1.00 0.00 N ATOM 1025 CA ASP A 65 17.709 -6.130 -4.641 1.00 0.00 C ATOM 1026 C ASP A 65 16.262 -6.393 -4.234 1.00 0.00 C ATOM 1027 O ASP A 65 15.499 -7.006 -4.981 1.00 0.00 O ATOM 1028 CB ASP A 65 18.645 -7.071 -3.881 1.00 0.00 C ATOM 1029 CG ASP A 65 19.883 -7.426 -4.681 1.00 0.00 C ATOM 1030 OD1 ASP A 65 19.785 -8.295 -5.571 1.00 0.00 O ATOM 1031 OD2 ASP A 65 20.951 -6.834 -4.415 1.00 0.00 O ATOM 0 H ASP A 65 19.039 -4.607 -4.086 1.00 0.00 H new ATOM 0 HA ASP A 65 17.807 -6.318 -5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 65 18.944 -6.602 -2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.108 -7.984 -3.624 1.00 0.00 H new ATOM 1036 N ASP A 66 15.893 -5.928 -3.046 1.00 0.00 N ATOM 1037 CA ASP A 66 14.538 -6.113 -2.539 1.00 0.00 C ATOM 1038 C ASP A 66 13.506 -5.705 -3.586 1.00 0.00 C ATOM 1039 O ASP A 66 12.541 -6.427 -3.836 1.00 0.00 O ATOM 1040 CB ASP A 66 14.334 -5.300 -1.260 1.00 0.00 C ATOM 1041 CG ASP A 66 15.154 -5.830 -0.100 1.00 0.00 C ATOM 1042 OD1 ASP A 66 15.333 -7.063 -0.014 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.619 -5.011 0.720 1.00 0.00 O ATOM 0 H ASP A 66 16.513 -5.420 -2.415 1.00 0.00 H new ATOM 0 HA ASP A 66 14.402 -7.171 -2.313 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.604 -4.261 -1.447 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.278 -5.312 -0.990 1.00 0.00 H new ATOM 1048 N VAL A 67 13.716 -4.542 -4.195 1.00 0.00 N ATOM 1049 CA VAL A 67 12.805 -4.037 -5.215 1.00 0.00 C ATOM 1050 C VAL A 67 12.617 -5.053 -6.335 1.00 0.00 C ATOM 1051 O VAL A 67 11.497 -5.474 -6.626 1.00 0.00 O ATOM 1052 CB VAL A 67 13.313 -2.714 -5.817 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.309 -2.161 -6.817 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.594 -1.701 -4.717 1.00 0.00 C ATOM 0 H VAL A 67 14.510 -3.932 -3.999 1.00 0.00 H new ATOM 0 HA VAL A 67 11.848 -3.860 -4.724 1.00 0.00 H new ATOM 0 HB VAL A 67 14.246 -2.911 -6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.686 -1.226 -7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.162 -2.882 -7.622 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.359 -1.979 -6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.952 -0.772 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.678 -1.507 -4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.353 -2.097 -4.043 1.00 0.00 H new ATOM 1064 N LYS A 68 13.721 -5.445 -6.963 1.00 0.00 N ATOM 1065 CA LYS A 68 13.680 -6.414 -8.051 1.00 0.00 C ATOM 1066 C LYS A 68 12.927 -7.673 -7.631 1.00 0.00 C ATOM 1067 O LYS A 68 12.146 -8.228 -8.405 1.00 0.00 O ATOM 1068 CB LYS A 68 15.099 -6.779 -8.490 1.00 0.00 C ATOM 1069 CG LYS A 68 15.956 -5.575 -8.841 1.00 0.00 C ATOM 1070 CD LYS A 68 17.403 -5.971 -9.083 1.00 0.00 C ATOM 1071 CE LYS A 68 18.358 -4.845 -8.717 1.00 0.00 C ATOM 1072 NZ LYS A 68 19.779 -5.287 -8.760 1.00 0.00 N ATOM 0 H LYS A 68 14.656 -5.106 -6.736 1.00 0.00 H new ATOM 0 HA LYS A 68 13.152 -5.959 -8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.585 -7.339 -7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.044 -7.440 -9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.557 -5.091 -9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.908 -4.845 -8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.642 -6.857 -8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.538 -6.238 -10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.216 -4.011 -9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.122 -4.479 -7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.398 -4.491 -8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.921 -6.066 -8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.012 -5.613 -9.720 1.00 0.00 H new ATOM 1086 N LEU A 69 13.165 -8.116 -6.402 1.00 0.00 N ATOM 1087 CA LEU A 69 12.508 -9.309 -5.879 1.00 0.00 C ATOM 1088 C LEU A 69 11.008 -9.080 -5.723 1.00 0.00 C ATOM 1089 O LEU A 69 10.198 -9.914 -6.126 1.00 0.00 O ATOM 1090 CB LEU A 69 13.118 -9.702 -4.532 1.00 0.00 C ATOM 1091 CG LEU A 69 14.586 -10.127 -4.559 1.00 0.00 C ATOM 1092 CD1 LEU A 69 15.125 -10.279 -3.145 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.751 -11.425 -5.337 1.00 0.00 C ATOM 0 H LEU A 69 13.808 -7.668 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 69 12.661 -10.120 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.017 -8.858 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.531 -10.520 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 69 15.160 -9.349 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.171 -10.582 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.043 -9.327 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.548 -11.037 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.802 -11.713 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.164 -12.211 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.405 -11.282 -6.361 1.00 0.00 H new ATOM 1105 N ALA A 70 10.646 -7.944 -5.136 1.00 0.00 N ATOM 1106 CA ALA A 70 9.243 -7.603 -4.931 1.00 0.00 C ATOM 1107 C ALA A 70 8.463 -7.681 -6.238 1.00 0.00 C ATOM 1108 O ALA A 70 7.355 -8.217 -6.281 1.00 0.00 O ATOM 1109 CB ALA A 70 9.121 -6.214 -4.322 1.00 0.00 C ATOM 0 H ALA A 70 11.305 -7.244 -4.794 1.00 0.00 H new ATOM 0 HA ALA A 70 8.815 -8.329 -4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.068 -5.973 -4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.637 -6.191 -3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.571 -5.482 -4.993 1.00 0.00 H new ATOM 1115 N LEU A 71 9.046 -7.141 -7.303 1.00 0.00 N ATOM 1116 CA LEU A 71 8.404 -7.149 -8.613 1.00 0.00 C ATOM 1117 C LEU A 71 8.080 -8.573 -9.053 1.00 0.00 C ATOM 1118 O LEU A 71 7.288 -8.786 -9.971 1.00 0.00 O ATOM 1119 CB LEU A 71 9.307 -6.476 -9.649 1.00 0.00 C ATOM 1120 CG LEU A 71 9.608 -4.995 -9.416 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.696 -4.516 -10.364 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.346 -4.161 -9.584 1.00 0.00 C ATOM 0 H LEU A 71 9.962 -6.692 -7.285 1.00 0.00 H new ATOM 0 HA LEU A 71 7.471 -6.592 -8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.252 -7.017 -9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.843 -6.582 -10.630 1.00 0.00 H new ATOM 0 HG LEU A 71 9.966 -4.873 -8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.897 -3.460 -10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.606 -5.092 -10.195 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.367 -4.652 -11.394 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.579 -3.110 -9.414 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.958 -4.288 -10.595 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.596 -4.487 -8.863 1.00 0.00 H new ATOM 1134 N LYS A 72 8.696 -9.546 -8.390 1.00 0.00 N ATOM 1135 CA LYS A 72 8.471 -10.951 -8.709 1.00 0.00 C ATOM 1136 C LYS A 72 7.162 -11.444 -8.102 1.00 0.00 C ATOM 1137 O LYS A 72 6.605 -12.452 -8.536 1.00 0.00 O ATOM 1138 CB LYS A 72 9.635 -11.803 -8.198 1.00 0.00 C ATOM 1139 CG LYS A 72 10.997 -11.311 -8.656 1.00 0.00 C ATOM 1140 CD LYS A 72 12.091 -12.313 -8.328 1.00 0.00 C ATOM 1141 CE LYS A 72 13.461 -11.799 -8.746 1.00 0.00 C ATOM 1142 NZ LYS A 72 13.779 -12.154 -10.156 1.00 0.00 N ATOM 0 H LYS A 72 9.355 -9.387 -7.628 1.00 0.00 H new ATOM 0 HA LYS A 72 8.407 -11.046 -9.793 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.611 -11.819 -7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.497 -12.830 -8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.977 -11.131 -9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.220 -10.357 -8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.089 -12.518 -7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.885 -13.257 -8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.494 -10.716 -8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.222 -12.215 -8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.720 -11.786 -10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.772 -13.188 -10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.067 -11.736 -10.788 1.00 0.00 H new ATOM 1156 N LYS A 73 6.673 -10.725 -7.097 1.00 0.00 N ATOM 1157 CA LYS A 73 5.427 -11.087 -6.432 1.00 0.00 C ATOM 1158 C LYS A 73 4.225 -10.531 -7.188 1.00 0.00 C ATOM 1159 O LYS A 73 3.113 -10.490 -6.662 1.00 0.00 O ATOM 1160 CB LYS A 73 5.423 -10.565 -4.993 1.00 0.00 C ATOM 1161 CG LYS A 73 6.754 -10.733 -4.281 1.00 0.00 C ATOM 1162 CD LYS A 73 7.034 -12.191 -3.957 1.00 0.00 C ATOM 1163 CE LYS A 73 6.255 -12.649 -2.734 1.00 0.00 C ATOM 1164 NZ LYS A 73 5.932 -14.102 -2.793 1.00 0.00 N ATOM 0 H LYS A 73 7.121 -9.888 -6.725 1.00 0.00 H new ATOM 0 HA LYS A 73 5.354 -12.174 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.155 -9.509 -4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.650 -11.087 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.555 -10.338 -4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.751 -10.149 -3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.769 -12.812 -4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.101 -12.328 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.836 -12.443 -1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.332 -12.075 -2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.507 -14.400 -1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.260 -14.277 -3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.803 -14.645 -2.961 1.00 0.00 H new ATOM 1178 N ASP A 74 4.456 -10.107 -8.426 1.00 0.00 N ATOM 1179 CA ASP A 74 3.391 -9.556 -9.256 1.00 0.00 C ATOM 1180 C ASP A 74 2.280 -10.580 -9.465 1.00 0.00 C ATOM 1181 O ASP A 74 2.474 -11.775 -9.242 1.00 0.00 O ATOM 1182 CB ASP A 74 3.949 -9.108 -10.608 1.00 0.00 C ATOM 1183 CG ASP A 74 2.927 -9.219 -11.722 1.00 0.00 C ATOM 1184 OD1 ASP A 74 2.115 -8.283 -11.878 1.00 0.00 O ATOM 1185 OD2 ASP A 74 2.939 -10.243 -12.438 1.00 0.00 O ATOM 0 H ASP A 74 5.371 -10.134 -8.877 1.00 0.00 H new ATOM 0 HA ASP A 74 2.972 -8.692 -8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.289 -8.075 -10.533 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.820 -9.714 -10.857 1.00 0.00 H new ATOM 1190 N ARG A 75 1.116 -10.103 -9.894 1.00 0.00 N ATOM 1191 CA ARG A 75 -0.027 -10.977 -10.130 1.00 0.00 C ATOM 1192 C ARG A 75 -0.010 -12.166 -9.174 1.00 0.00 C ATOM 1193 O ARG A 75 -0.340 -13.288 -9.557 1.00 0.00 O ATOM 1194 CB ARG A 75 -0.026 -11.473 -11.577 1.00 0.00 C ATOM 1195 CG ARG A 75 0.916 -12.640 -11.820 1.00 0.00 C ATOM 1196 CD ARG A 75 1.408 -12.669 -13.259 1.00 0.00 C ATOM 1197 NE ARG A 75 2.662 -13.405 -13.394 1.00 0.00 N ATOM 1198 CZ ARG A 75 2.760 -14.723 -13.257 1.00 0.00 C ATOM 1199 NH1 ARG A 75 1.683 -15.446 -12.983 1.00 0.00 N ATOM 1200 NH2 ARG A 75 3.937 -15.320 -13.395 1.00 0.00 N ATOM 0 H ARG A 75 0.940 -9.117 -10.085 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.935 -10.402 -9.950 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.038 -11.771 -11.851 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.253 -10.649 -12.234 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.768 -12.568 -11.144 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.405 -13.575 -11.590 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.649 -13.127 -13.893 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.547 -11.648 -13.615 1.00 0.00 H new ATOM 0 HE ARG A 75 3.510 -12.878 -13.605 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.776 -14.991 -12.877 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.761 -16.458 -12.878 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.768 -14.767 -13.606 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.011 -16.332 -13.290 1.00 0.00 H new ATOM 1214 N GLU A 76 0.378 -11.911 -7.928 1.00 0.00 N ATOM 1215 CA GLU A 76 0.440 -12.961 -6.918 1.00 0.00 C ATOM 1216 C GLU A 76 -0.938 -13.216 -6.313 1.00 0.00 C ATOM 1217 O GLU A 76 -1.933 -12.628 -6.739 1.00 0.00 O ATOM 1218 CB GLU A 76 1.431 -12.582 -5.815 1.00 0.00 C ATOM 1219 CG GLU A 76 2.855 -13.027 -6.098 1.00 0.00 C ATOM 1220 CD GLU A 76 3.043 -14.522 -5.933 1.00 0.00 C ATOM 1221 OE1 GLU A 76 2.403 -15.287 -6.685 1.00 0.00 O ATOM 1222 OE2 GLU A 76 3.830 -14.928 -5.052 1.00 0.00 O ATOM 0 H GLU A 76 0.654 -10.987 -7.594 1.00 0.00 H new ATOM 0 HA GLU A 76 0.780 -13.876 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.417 -11.500 -5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.101 -13.024 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.126 -12.741 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.536 -12.503 -5.427 1.00 0.00 H new ATOM 1229 N SER A 77 -0.988 -14.096 -5.318 1.00 0.00 N ATOM 1230 CA SER A 77 -2.243 -14.433 -4.657 1.00 0.00 C ATOM 1231 C SER A 77 -2.105 -14.325 -3.142 1.00 0.00 C ATOM 1232 O SER A 77 -1.454 -15.154 -2.507 1.00 0.00 O ATOM 1233 CB SER A 77 -2.683 -15.846 -5.042 1.00 0.00 C ATOM 1234 OG SER A 77 -1.678 -16.796 -4.731 1.00 0.00 O ATOM 0 H SER A 77 -0.173 -14.589 -4.952 1.00 0.00 H new ATOM 0 HA SER A 77 -3.001 -13.722 -4.986 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.603 -16.100 -4.516 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.905 -15.883 -6.108 1.00 0.00 H new ATOM 0 HG SER A 77 -1.261 -16.563 -3.876 1.00 0.00 H new ATOM 1240 N MET A 78 -2.722 -13.296 -2.569 1.00 0.00 N ATOM 1241 CA MET A 78 -2.670 -13.080 -1.128 1.00 0.00 C ATOM 1242 C MET A 78 -3.995 -13.456 -0.473 1.00 0.00 C ATOM 1243 O MET A 78 -5.002 -12.773 -0.650 1.00 0.00 O ATOM 1244 CB MET A 78 -2.333 -11.619 -0.822 1.00 0.00 C ATOM 1245 CG MET A 78 -2.479 -11.257 0.647 1.00 0.00 C ATOM 1246 SD MET A 78 -2.558 -9.476 0.918 1.00 0.00 S ATOM 1247 CE MET A 78 -0.824 -9.040 0.813 1.00 0.00 C ATOM 0 H MET A 78 -3.263 -12.599 -3.081 1.00 0.00 H new ATOM 0 HA MET A 78 -1.888 -13.720 -0.718 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.309 -11.417 -1.138 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.982 -10.973 -1.413 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.382 -11.722 1.044 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.637 -11.669 1.204 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.678 -8.032 1.200 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.236 -9.744 1.402 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.501 -9.079 -0.227 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.986 -14.549 0.285 1.00 0.00 N ATOM 1258 CA GLY A 79 -5.194 -14.997 0.954 1.00 0.00 C ATOM 1259 C GLY A 79 -6.216 -15.562 -0.012 1.00 0.00 C ATOM 1260 O GLY A 79 -6.146 -16.734 -0.386 1.00 0.00 O ATOM 0 H GLY A 79 -3.165 -15.132 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.937 -15.757 1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.635 -14.162 1.498 1.00 0.00 H new ATOM 1264 N HIS A 80 -7.170 -14.730 -0.415 1.00 0.00 N ATOM 1265 CA HIS A 80 -8.213 -15.155 -1.343 1.00 0.00 C ATOM 1266 C HIS A 80 -8.362 -14.156 -2.487 1.00 0.00 C ATOM 1267 O HIS A 80 -9.376 -14.145 -3.186 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.545 -15.310 -0.609 1.00 0.00 C ATOM 1269 CG HIS A 80 -10.183 -14.005 -0.242 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -10.896 -13.128 -0.986 1.00 0.00 N flip ATOM 1271 CD2 HIS A 80 -10.122 -13.468 1.027 1.00 0.00 C flip ATOM 1272 CE1 HIS A 80 -11.250 -12.088 -0.162 1.00 0.00 C flip ATOM 1273 NE2 HIS A 80 -10.772 -12.318 1.047 1.00 0.00 N flip ATOM 0 H HIS A 80 -7.243 -13.758 -0.114 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.923 -16.119 -1.761 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.232 -15.877 -1.237 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.385 -15.894 0.297 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -11.127 -13.222 -1.975 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.621 -13.917 1.872 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.826 -11.223 -0.455 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.347 -13.318 -2.671 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.366 -12.315 -3.728 1.00 0.00 C ATOM 1284 C ARG A 81 -6.027 -12.267 -4.457 1.00 0.00 C ATOM 1285 O ARG A 81 -5.084 -12.970 -4.091 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.692 -10.938 -3.147 1.00 0.00 C ATOM 1287 CG ARG A 81 -9.059 -10.863 -2.487 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.584 -9.436 -2.451 1.00 0.00 C ATOM 1289 NE ARG A 81 -10.257 -9.069 -3.694 1.00 0.00 N ATOM 1290 CZ ARG A 81 -10.440 -7.814 -4.088 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -10.002 -6.811 -3.340 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -11.062 -7.561 -5.232 1.00 0.00 N ATOM 0 H ARG A 81 -6.501 -13.314 -2.101 1.00 0.00 H new ATOM 0 HA ARG A 81 -8.140 -12.593 -4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.929 -10.672 -2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.641 -10.196 -3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.761 -11.496 -3.029 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.996 -11.254 -1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.277 -9.326 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.757 -8.750 -2.270 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.606 -9.818 -4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.523 -7.002 -2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.144 -5.848 -3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.400 -8.331 -5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.202 -6.597 -5.534 1.00 0.00 H new ATOM 1306 N TYR A 82 -5.950 -11.435 -5.490 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.728 -11.298 -6.272 1.00 0.00 C ATOM 1308 C TYR A 82 -4.026 -9.980 -5.960 1.00 0.00 C ATOM 1309 O TYR A 82 -4.673 -8.946 -5.785 1.00 0.00 O ATOM 1310 CB TYR A 82 -5.042 -11.380 -7.767 1.00 0.00 C ATOM 1311 CG TYR A 82 -4.930 -12.778 -8.333 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.905 -13.734 -8.075 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -3.849 -13.142 -9.127 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.806 -15.012 -8.590 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.742 -14.418 -9.647 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.723 -15.349 -9.375 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.622 -16.621 -9.891 1.00 0.00 O ATOM 0 H TYR A 82 -6.720 -10.845 -5.805 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.061 -12.117 -6.002 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.052 -11.007 -7.939 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.363 -10.722 -8.309 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.755 -13.473 -7.461 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.079 -12.415 -9.341 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.572 -15.743 -8.379 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.896 -14.685 -10.263 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.802 -16.694 -10.422 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.700 -10.024 -5.893 1.00 0.00 N ATOM 1328 CA ILE A 83 -1.910 -8.834 -5.604 1.00 0.00 C ATOM 1329 C ILE A 83 -1.055 -8.437 -6.803 1.00 0.00 C ATOM 1330 O ILE A 83 -0.514 -9.293 -7.501 1.00 0.00 O ATOM 1331 CB ILE A 83 -0.995 -9.048 -4.384 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.772 -9.714 -3.246 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.406 -7.722 -3.925 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.002 -8.941 -2.821 1.00 0.00 C ATOM 0 H ILE A 83 -2.150 -10.871 -6.035 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.616 -8.033 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.176 -9.707 -4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.071 -10.715 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.112 -9.832 -2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.238 -7.889 -3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.178 -7.284 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.212 -7.042 -3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.503 -9.471 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.708 -7.949 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.682 -8.845 -3.667 1.00 0.00 H new ATOM 1346 N GLU A 84 -0.937 -7.133 -7.033 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.147 -6.623 -8.147 1.00 0.00 C ATOM 1348 C GLU A 84 0.943 -5.676 -7.653 1.00 0.00 C ATOM 1349 O GLU A 84 0.655 -4.636 -7.062 1.00 0.00 O ATOM 1350 CB GLU A 84 -1.047 -5.902 -9.153 1.00 0.00 C ATOM 1351 CG GLU A 84 -2.035 -6.820 -9.853 1.00 0.00 C ATOM 1352 CD GLU A 84 -2.979 -6.069 -10.772 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -2.492 -5.428 -11.727 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -4.204 -6.121 -10.536 1.00 0.00 O ATOM 0 H GLU A 84 -1.378 -6.411 -6.463 1.00 0.00 H new ATOM 0 HA GLU A 84 0.328 -7.471 -8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.598 -5.116 -8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.423 -5.415 -9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.487 -7.564 -10.431 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.615 -7.361 -9.105 1.00 0.00 H new ATOM 1361 N VAL A 85 2.196 -6.045 -7.900 1.00 0.00 N ATOM 1362 CA VAL A 85 3.329 -5.229 -7.481 1.00 0.00 C ATOM 1363 C VAL A 85 3.652 -4.162 -8.521 1.00 0.00 C ATOM 1364 O VAL A 85 3.577 -4.410 -9.724 1.00 0.00 O ATOM 1365 CB VAL A 85 4.583 -6.092 -7.240 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.728 -5.236 -6.719 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.271 -7.225 -6.275 1.00 0.00 C ATOM 0 H VAL A 85 2.452 -6.903 -8.388 1.00 0.00 H new ATOM 0 HA VAL A 85 3.044 -4.746 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 85 4.891 -6.529 -8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.605 -5.862 -6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.966 -4.463 -7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.434 -4.769 -5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.167 -7.825 -6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.938 -6.811 -5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.484 -7.853 -6.693 1.00 0.00 H new ATOM 1377 N PHE A 86 4.013 -2.974 -8.048 1.00 0.00 N ATOM 1378 CA PHE A 86 4.347 -1.867 -8.937 1.00 0.00 C ATOM 1379 C PHE A 86 5.605 -1.147 -8.460 1.00 0.00 C ATOM 1380 O PHE A 86 5.677 -0.686 -7.320 1.00 0.00 O ATOM 1381 CB PHE A 86 3.181 -0.880 -9.018 1.00 0.00 C ATOM 1382 CG PHE A 86 1.994 -1.415 -9.767 1.00 0.00 C ATOM 1383 CD1 PHE A 86 2.122 -1.849 -11.076 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.749 -1.482 -9.161 1.00 0.00 C ATOM 1385 CE1 PHE A 86 1.032 -2.342 -11.768 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.344 -1.975 -9.847 1.00 0.00 C ATOM 1387 CZ PHE A 86 -0.203 -2.404 -11.153 1.00 0.00 C ATOM 0 H PHE A 86 4.082 -2.753 -7.055 1.00 0.00 H new ATOM 0 HA PHE A 86 4.537 -2.276 -9.929 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.872 -0.611 -8.008 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.523 0.035 -9.501 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.085 -1.802 -11.562 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.632 -1.145 -8.142 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.146 -2.678 -12.788 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.308 -2.025 -9.363 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.057 -2.787 -11.692 1.00 0.00 H new ATOM 1397 N LYS A 87 6.597 -1.055 -9.339 1.00 0.00 N ATOM 1398 CA LYS A 87 7.853 -0.392 -9.011 1.00 0.00 C ATOM 1399 C LYS A 87 7.641 1.106 -8.811 1.00 0.00 C ATOM 1400 O LYS A 87 7.252 1.816 -9.738 1.00 0.00 O ATOM 1401 CB LYS A 87 8.883 -0.629 -10.117 1.00 0.00 C ATOM 1402 CG LYS A 87 10.317 -0.660 -9.616 1.00 0.00 C ATOM 1403 CD LYS A 87 10.816 0.732 -9.269 1.00 0.00 C ATOM 1404 CE LYS A 87 12.335 0.776 -9.189 1.00 0.00 C ATOM 1405 NZ LYS A 87 12.960 0.835 -10.539 1.00 0.00 N ATOM 0 H LYS A 87 6.555 -1.432 -10.286 1.00 0.00 H new ATOM 0 HA LYS A 87 8.226 -0.816 -8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.660 -1.573 -10.613 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.786 0.156 -10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.382 -1.301 -8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.960 -1.099 -10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.469 1.442 -10.020 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.391 1.045 -8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.643 1.645 -8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.696 -0.106 -8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.995 0.864 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.687 -0.007 -11.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.635 1.690 -11.035 1.00 0.00 H new ATOM 1419 N SER A 88 7.901 1.579 -7.597 1.00 0.00 N ATOM 1420 CA SER A 88 7.737 2.992 -7.276 1.00 0.00 C ATOM 1421 C SER A 88 8.830 3.463 -6.321 1.00 0.00 C ATOM 1422 O SER A 88 9.499 2.653 -5.677 1.00 0.00 O ATOM 1423 CB SER A 88 6.361 3.239 -6.655 1.00 0.00 C ATOM 1424 OG SER A 88 5.901 4.549 -6.940 1.00 0.00 O ATOM 0 H SER A 88 8.226 1.005 -6.819 1.00 0.00 H new ATOM 0 HA SER A 88 7.818 3.561 -8.202 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.649 2.508 -7.039 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.414 3.096 -5.576 1.00 0.00 H new ATOM 0 HG SER A 88 5.019 4.682 -6.534 1.00 0.00 H new ATOM 1430 N HIS A 89 9.005 4.777 -6.234 1.00 0.00 N ATOM 1431 CA HIS A 89 10.017 5.357 -5.357 1.00 0.00 C ATOM 1432 C HIS A 89 9.388 5.859 -4.060 1.00 0.00 C ATOM 1433 O HIS A 89 8.196 5.664 -3.821 1.00 0.00 O ATOM 1434 CB HIS A 89 10.738 6.505 -6.065 1.00 0.00 C ATOM 1435 CG HIS A 89 9.818 7.420 -6.813 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.063 7.207 -7.917 1.00 0.00 N flip ATOM 1437 CD2 HIS A 89 9.595 8.730 -6.445 1.00 0.00 C flip ATOM 1438 CE1 HIS A 89 8.404 8.380 -8.191 1.00 0.00 C flip ATOM 1439 NE2 HIS A 89 8.742 9.283 -7.288 1.00 0.00 N flip ATOM 0 H HIS A 89 8.460 5.461 -6.759 1.00 0.00 H new ATOM 0 HA HIS A 89 10.740 4.579 -5.113 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.293 7.085 -5.327 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.469 6.091 -6.760 1.00 0.00 H new ATOM 0 HD2 HIS A 89 10.047 9.226 -5.599 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.720 8.539 -9.012 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.402 10.244 -7.249 1.00 0.00 H new ATOM 1448 N ARG A 90 10.198 6.504 -3.227 1.00 0.00 N ATOM 1449 CA ARG A 90 9.721 7.031 -1.954 1.00 0.00 C ATOM 1450 C ARG A 90 9.092 8.409 -2.137 1.00 0.00 C ATOM 1451 O ARG A 90 7.935 8.628 -1.777 1.00 0.00 O ATOM 1452 CB ARG A 90 10.872 7.113 -0.949 1.00 0.00 C ATOM 1453 CG ARG A 90 10.431 7.511 0.450 1.00 0.00 C ATOM 1454 CD ARG A 90 10.383 9.022 0.611 1.00 0.00 C ATOM 1455 NE ARG A 90 10.581 9.431 1.999 1.00 0.00 N ATOM 1456 CZ ARG A 90 10.961 10.652 2.358 1.00 0.00 C ATOM 1457 NH1 ARG A 90 11.183 11.579 1.436 1.00 0.00 N ATOM 1458 NH2 ARG A 90 11.119 10.949 3.642 1.00 0.00 N ATOM 0 H ARG A 90 11.187 6.674 -3.410 1.00 0.00 H new ATOM 0 HA ARG A 90 8.960 6.352 -1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.372 6.145 -0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.606 7.834 -1.308 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.446 7.091 0.655 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.118 7.088 1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.151 9.478 -0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.421 9.394 0.257 1.00 0.00 H new ATOM 0 HE ARG A 90 10.419 8.741 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.062 11.355 0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.475 12.516 1.715 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.949 10.239 4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.411 11.887 3.916 1.00 0.00 H new ATOM 1472 N THR A 91 9.862 9.336 -2.699 1.00 0.00 N ATOM 1473 CA THR A 91 9.382 10.692 -2.928 1.00 0.00 C ATOM 1474 C THR A 91 7.930 10.690 -3.395 1.00 0.00 C ATOM 1475 O THR A 91 7.199 11.655 -3.178 1.00 0.00 O ATOM 1476 CB THR A 91 10.244 11.424 -3.974 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.622 11.386 -3.587 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.796 12.870 -4.129 1.00 0.00 C ATOM 0 H THR A 91 10.821 9.171 -3.004 1.00 0.00 H new ATOM 0 HA THR A 91 9.454 11.218 -1.976 1.00 0.00 H new ATOM 0 HB THR A 91 10.122 10.917 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.163 11.852 -4.258 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.419 13.366 -4.873 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.755 12.896 -4.452 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.892 13.385 -3.173 1.00 0.00 H new ATOM 1486 N GLU A 92 7.521 9.599 -4.034 1.00 0.00 N ATOM 1487 CA GLU A 92 6.155 9.473 -4.531 1.00 0.00 C ATOM 1488 C GLU A 92 5.216 9.000 -3.425 1.00 0.00 C ATOM 1489 O GLU A 92 4.206 9.642 -3.138 1.00 0.00 O ATOM 1490 CB GLU A 92 6.106 8.497 -5.709 1.00 0.00 C ATOM 1491 CG GLU A 92 4.723 7.921 -5.964 1.00 0.00 C ATOM 1492 CD GLU A 92 4.553 7.420 -7.385 1.00 0.00 C ATOM 1493 OE1 GLU A 92 5.408 7.744 -8.235 1.00 0.00 O ATOM 1494 OE2 GLU A 92 3.564 6.704 -7.646 1.00 0.00 O ATOM 0 H GLU A 92 8.114 8.790 -4.220 1.00 0.00 H new ATOM 0 HA GLU A 92 5.825 10.456 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.449 9.008 -6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.802 7.679 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.541 7.101 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.972 8.684 -5.759 1.00 0.00 H new ATOM 1501 N MET A 93 5.557 7.873 -2.809 1.00 0.00 N ATOM 1502 CA MET A 93 4.744 7.315 -1.734 1.00 0.00 C ATOM 1503 C MET A 93 4.414 8.380 -0.693 1.00 0.00 C ATOM 1504 O MET A 93 3.458 8.239 0.071 1.00 0.00 O ATOM 1505 CB MET A 93 5.473 6.145 -1.070 1.00 0.00 C ATOM 1506 CG MET A 93 4.724 5.556 0.115 1.00 0.00 C ATOM 1507 SD MET A 93 5.761 4.484 1.128 1.00 0.00 S ATOM 1508 CE MET A 93 7.010 5.643 1.680 1.00 0.00 C ATOM 0 H MET A 93 6.389 7.329 -3.035 1.00 0.00 H new ATOM 0 HA MET A 93 3.811 6.954 -2.167 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.637 5.363 -1.811 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.455 6.481 -0.738 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.333 6.365 0.732 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.867 4.989 -0.247 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.136 5.555 2.759 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.956 5.422 1.185 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.699 6.658 1.432 1.00 0.00 H new ATOM 1518 N ASP A 94 5.210 9.443 -0.668 1.00 0.00 N ATOM 1519 CA ASP A 94 5.001 10.532 0.280 1.00 0.00 C ATOM 1520 C ASP A 94 3.780 11.361 -0.106 1.00 0.00 C ATOM 1521 O ASP A 94 2.907 11.620 0.722 1.00 0.00 O ATOM 1522 CB ASP A 94 6.241 11.425 0.344 1.00 0.00 C ATOM 1523 CG ASP A 94 7.230 10.967 1.397 1.00 0.00 C ATOM 1524 OD1 ASP A 94 6.790 10.399 2.418 1.00 0.00 O ATOM 1525 OD2 ASP A 94 8.446 11.178 1.201 1.00 0.00 O ATOM 0 H ASP A 94 6.006 9.574 -1.293 1.00 0.00 H new ATOM 0 HA ASP A 94 4.825 10.097 1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.730 11.433 -0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.937 12.450 0.557 1.00 0.00 H new ATOM 1530 N TRP A 95 3.728 11.776 -1.367 1.00 0.00 N ATOM 1531 CA TRP A 95 2.615 12.578 -1.862 1.00 0.00 C ATOM 1532 C TRP A 95 1.338 11.747 -1.940 1.00 0.00 C ATOM 1533 O TRP A 95 0.283 12.168 -1.466 1.00 0.00 O ATOM 1534 CB TRP A 95 2.947 13.154 -3.239 1.00 0.00 C ATOM 1535 CG TRP A 95 2.432 12.321 -4.372 1.00 0.00 C ATOM 1536 CD1 TRP A 95 3.175 11.614 -5.274 1.00 0.00 C ATOM 1537 CD2 TRP A 95 1.061 12.109 -4.726 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.348 10.975 -6.167 1.00 0.00 N ATOM 1539 CE2 TRP A 95 1.047 11.263 -5.852 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.157 12.551 -4.200 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.137 10.852 -6.459 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.330 12.143 -4.804 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.314 11.300 -5.924 1.00 0.00 C ATOM 0 H TRP A 95 4.443 11.570 -2.065 1.00 0.00 H new ATOM 0 HA TRP A 95 2.451 13.398 -1.163 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.528 14.157 -3.316 1.00 0.00 H new ATOM 0 HB3 TRP A 95 4.029 13.252 -3.332 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.254 11.564 -5.284 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.654 10.383 -6.939 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.180 13.200 -3.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.127 10.202 -7.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.276 12.479 -4.407 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.249 10.998 -6.373 1.00 0.00 H new ATOM 1554 N VAL A 96 1.442 10.566 -2.540 1.00 0.00 N ATOM 1555 CA VAL A 96 0.295 9.676 -2.678 1.00 0.00 C ATOM 1556 C VAL A 96 -0.414 9.481 -1.343 1.00 0.00 C ATOM 1557 O VAL A 96 -1.628 9.280 -1.295 1.00 0.00 O ATOM 1558 CB VAL A 96 0.716 8.300 -3.229 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.551 8.462 -4.490 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.477 7.514 -2.173 1.00 0.00 C ATOM 0 H VAL A 96 2.308 10.203 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.389 10.148 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.183 7.741 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.839 7.480 -4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.967 8.983 -5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.446 9.040 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.767 6.545 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.370 8.067 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.841 7.366 -1.301 1.00 0.00 H new ATOM 1570 N LEU A 97 0.352 9.542 -0.258 1.00 0.00 N ATOM 1571 CA LEU A 97 -0.203 9.373 1.080 1.00 0.00 C ATOM 1572 C LEU A 97 -0.828 10.672 1.579 1.00 0.00 C ATOM 1573 O LEU A 97 -2.024 10.730 1.862 1.00 0.00 O ATOM 1574 CB LEU A 97 0.886 8.912 2.050 1.00 0.00 C ATOM 1575 CG LEU A 97 1.363 7.469 1.887 1.00 0.00 C ATOM 1576 CD1 LEU A 97 2.645 7.238 2.672 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.281 6.496 2.333 1.00 0.00 C ATOM 0 H LEU A 97 1.358 9.707 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.982 8.613 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.746 9.572 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.516 9.038 3.067 1.00 0.00 H new ATOM 0 HG LEU A 97 1.571 7.293 0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.969 6.205 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.421 7.910 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.464 7.433 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.638 5.473 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.042 6.673 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.613 6.643 1.727 1.00 0.00 H new