USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 389 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: B 12 HIS : no HE2:sc= -5.53! C(o=-10!,f=-10!) USER MOD Set 1.2: B 13 HIS : no HE2:sc= -4.54! C(o=-10!,f=-12!) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.322 X(o=-0.32,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -4.84! C(o=-4.8!,f=-3.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.016) USER MOD Single : A 30 SER OG : rot -45:sc= 0.156 USER MOD Single : A 32 LYS NZ :NH3+ -141:sc= -2.1! (180deg=-5.01!) USER MOD Single : A 33 LYS NZ :NH3+ -151:sc= -1.55 (180deg=-2.25!) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -4.8! C(o=-4.8!,f=-4.1!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.0098) USER MOD Single : B 30 SER OG : rot -46:sc= 0.15 USER MOD ----------------------------------------------------------------- ATOM 204 N HIS A 13 -13.891 -3.367 2.894 1.00 0.00 N ATOM 205 CA HIS A 13 -12.893 -2.982 1.905 1.00 0.00 C ATOM 206 C HIS A 13 -11.981 -1.910 2.483 1.00 0.00 C ATOM 207 O HIS A 13 -10.820 -1.793 2.095 1.00 0.00 O ATOM 208 CB HIS A 13 -13.546 -2.463 0.624 1.00 0.00 C ATOM 209 CG HIS A 13 -14.432 -3.455 -0.058 1.00 0.00 C ATOM 210 ND1 HIS A 13 -14.197 -4.813 -0.049 1.00 0.00 N ATOM 211 CD2 HIS A 13 -15.555 -3.274 -0.788 1.00 0.00 C ATOM 212 CE1 HIS A 13 -15.139 -5.426 -0.746 1.00 0.00 C ATOM 213 NE2 HIS A 13 -15.975 -4.513 -1.203 1.00 0.00 N ATOM 0 HA HIS A 13 -12.310 -3.868 1.654 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -14.130 -1.574 0.862 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.764 -2.154 -0.070 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.033 -2.330 -1.004 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -15.212 -6.491 -0.913 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -16.800 -4.698 -1.773 1.00 0.00 H new ATOM 222 N ALA A 14 -12.517 -1.133 3.423 1.00 0.00 N ATOM 223 CA ALA A 14 -11.750 -0.075 4.066 1.00 0.00 C ATOM 224 C ALA A 14 -10.610 -0.673 4.876 1.00 0.00 C ATOM 225 O ALA A 14 -9.462 -0.243 4.768 1.00 0.00 O ATOM 226 CB ALA A 14 -12.652 0.768 4.957 1.00 0.00 C ATOM 0 H ALA A 14 -13.478 -1.218 3.754 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.329 0.570 3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.064 1.554 5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.441 1.218 4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.098 0.136 5.725 1.00 0.00 H new ATOM 232 N LYS A 15 -10.936 -1.684 5.676 1.00 0.00 N ATOM 233 CA LYS A 15 -9.936 -2.359 6.492 1.00 0.00 C ATOM 234 C LYS A 15 -8.917 -3.061 5.602 1.00 0.00 C ATOM 235 O LYS A 15 -7.779 -3.293 6.007 1.00 0.00 O ATOM 236 CB LYS A 15 -10.604 -3.371 7.424 1.00 0.00 C ATOM 237 CG LYS A 15 -9.736 -3.777 8.603 1.00 0.00 C ATOM 238 CD LYS A 15 -10.528 -3.789 9.900 1.00 0.00 C ATOM 239 CE LYS A 15 -10.613 -5.189 10.488 1.00 0.00 C ATOM 240 NZ LYS A 15 -11.771 -5.333 11.414 1.00 0.00 N ATOM 0 H LYS A 15 -11.882 -2.052 5.775 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.421 -1.613 7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.536 -2.948 7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.865 -4.261 6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.316 -4.766 8.423 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.898 -3.086 8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.059 -3.119 10.620 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.533 -3.408 9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.700 -5.917 9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.690 -5.415 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.794 -6.301 11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.675 -4.656 12.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.654 -5.143 10.898 1.00 0.00 H new ATOM 254 N GLU A 16 -9.337 -3.399 4.382 1.00 0.00 N ATOM 255 CA GLU A 16 -8.461 -4.073 3.431 1.00 0.00 C ATOM 256 C GLU A 16 -7.445 -3.101 2.835 1.00 0.00 C ATOM 257 O GLU A 16 -6.299 -3.470 2.584 1.00 0.00 O ATOM 258 CB GLU A 16 -9.285 -4.716 2.315 1.00 0.00 C ATOM 259 CG GLU A 16 -9.726 -6.137 2.625 1.00 0.00 C ATOM 260 CD GLU A 16 -10.345 -6.268 4.003 1.00 0.00 C ATOM 261 OE1 GLU A 16 -9.645 -5.983 4.998 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.530 -6.653 4.087 1.00 0.00 O ATOM 0 H GLU A 16 -10.278 -3.216 4.032 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.917 -4.851 3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.167 -4.104 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.698 -4.719 1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.447 -6.462 1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.867 -6.804 2.552 1.00 0.00 H new ATOM 269 N ILE A 17 -7.869 -1.860 2.613 1.00 0.00 N ATOM 270 CA ILE A 17 -6.989 -0.840 2.051 1.00 0.00 C ATOM 271 C ILE A 17 -6.047 -0.291 3.120 1.00 0.00 C ATOM 272 O ILE A 17 -4.963 0.203 2.810 1.00 0.00 O ATOM 273 CB ILE A 17 -7.800 0.317 1.418 1.00 0.00 C ATOM 274 CG1 ILE A 17 -6.871 1.452 0.961 1.00 0.00 C ATOM 275 CG2 ILE A 17 -8.843 0.835 2.397 1.00 0.00 C ATOM 276 CD1 ILE A 17 -7.606 2.702 0.527 1.00 0.00 C ATOM 0 H ILE A 17 -8.815 -1.537 2.813 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.398 -1.313 1.267 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.316 -0.070 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.192 1.705 1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.257 1.096 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.404 1.648 1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.526 0.028 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.348 1.201 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.885 3.459 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.264 2.465 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.199 3.083 1.359 1.00 0.00 H new ATOM 288 N GLU A 18 -6.463 -0.388 4.378 1.00 0.00 N ATOM 289 CA GLU A 18 -5.649 0.094 5.486 1.00 0.00 C ATOM 290 C GLU A 18 -4.590 -0.937 5.860 1.00 0.00 C ATOM 291 O GLU A 18 -3.468 -0.588 6.225 1.00 0.00 O ATOM 292 CB GLU A 18 -6.527 0.406 6.699 1.00 0.00 C ATOM 293 CG GLU A 18 -6.436 1.852 7.160 1.00 0.00 C ATOM 294 CD GLU A 18 -5.184 2.129 7.969 1.00 0.00 C ATOM 295 OE1 GLU A 18 -4.933 1.391 8.945 1.00 0.00 O ATOM 296 OE2 GLU A 18 -4.453 3.081 7.624 1.00 0.00 O ATOM 0 H GLU A 18 -7.356 -0.795 4.655 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.150 1.010 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.564 0.176 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.240 -0.248 7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.455 2.509 6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.313 2.094 7.761 1.00 0.00 H new ATOM 303 N ARG A 19 -4.954 -2.211 5.755 1.00 0.00 N ATOM 304 CA ARG A 19 -4.033 -3.294 6.071 1.00 0.00 C ATOM 305 C ARG A 19 -2.993 -3.439 4.968 1.00 0.00 C ATOM 306 O ARG A 19 -1.812 -3.666 5.236 1.00 0.00 O ATOM 307 CB ARG A 19 -4.795 -4.610 6.250 1.00 0.00 C ATOM 308 CG ARG A 19 -4.033 -5.649 7.055 1.00 0.00 C ATOM 309 CD ARG A 19 -4.972 -6.654 7.700 1.00 0.00 C ATOM 310 NE ARG A 19 -4.262 -7.829 8.193 1.00 0.00 N ATOM 311 CZ ARG A 19 -3.886 -8.842 7.419 1.00 0.00 C ATOM 312 NH1 ARG A 19 -4.156 -8.822 6.121 1.00 0.00 N ATOM 313 NH2 ARG A 19 -3.241 -9.876 7.942 1.00 0.00 N ATOM 0 H ARG A 19 -5.879 -2.517 5.454 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.526 -3.055 7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.745 -4.406 6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.027 -5.022 5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.331 -6.171 6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.444 -5.153 7.827 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.501 -6.178 8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.725 -6.963 6.975 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.042 -7.876 9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.653 -8.029 5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.867 -9.600 5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.032 -9.895 8.940 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.953 -10.652 7.346 1.00 0.00 H new ATOM 327 N LEU A 20 -3.440 -3.292 3.725 1.00 0.00 N ATOM 328 CA LEU A 20 -2.548 -3.395 2.581 1.00 0.00 C ATOM 329 C LEU A 20 -1.567 -2.230 2.575 1.00 0.00 C ATOM 330 O LEU A 20 -0.387 -2.401 2.270 1.00 0.00 O ATOM 331 CB LEU A 20 -3.351 -3.417 1.279 1.00 0.00 C ATOM 332 CG LEU A 20 -2.963 -4.522 0.294 1.00 0.00 C ATOM 333 CD1 LEU A 20 -1.451 -4.622 0.167 1.00 0.00 C ATOM 334 CD2 LEU A 20 -3.552 -5.855 0.732 1.00 0.00 C ATOM 0 H LEU A 20 -4.413 -3.102 3.487 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.988 -4.327 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.408 -3.525 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.236 -2.453 0.783 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.371 -4.269 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.197 -5.414 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.053 -3.673 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.018 -4.851 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.267 -6.630 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.173 -6.113 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.639 -5.778 0.768 1.00 0.00 H new ATOM 346 N GLN A 21 -2.064 -1.044 2.922 1.00 0.00 N ATOM 347 CA GLN A 21 -1.229 0.150 2.964 1.00 0.00 C ATOM 348 C GLN A 21 -0.145 0.009 4.025 1.00 0.00 C ATOM 349 O GLN A 21 0.987 0.451 3.835 1.00 0.00 O ATOM 350 CB GLN A 21 -2.083 1.387 3.249 1.00 0.00 C ATOM 351 CG GLN A 21 -1.271 2.660 3.422 1.00 0.00 C ATOM 352 CD GLN A 21 -2.143 3.893 3.559 1.00 0.00 C ATOM 353 OE1 GLN A 21 -1.880 4.926 2.944 1.00 0.00 O ATOM 354 NE2 GLN A 21 -3.189 3.790 4.371 1.00 0.00 N ATOM 0 H GLN A 21 -3.039 -0.887 3.177 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.751 0.268 1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.791 1.526 2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.669 1.214 4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.639 2.566 4.305 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.607 2.782 2.566 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.370 2.914 4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.812 4.587 4.504 1.00 0.00 H new ATOM 363 N LYS A 22 -0.500 -0.616 5.143 1.00 0.00 N ATOM 364 CA LYS A 22 0.444 -0.821 6.234 1.00 0.00 C ATOM 365 C LYS A 22 1.620 -1.674 5.772 1.00 0.00 C ATOM 366 O LYS A 22 2.775 -1.367 6.063 1.00 0.00 O ATOM 367 CB LYS A 22 -0.253 -1.490 7.421 1.00 0.00 C ATOM 368 CG LYS A 22 0.330 -1.098 8.768 1.00 0.00 C ATOM 369 CD LYS A 22 1.087 -2.251 9.407 1.00 0.00 C ATOM 370 CE LYS A 22 2.588 -2.100 9.226 1.00 0.00 C ATOM 371 NZ LYS A 22 3.309 -3.378 9.476 1.00 0.00 N ATOM 0 H LYS A 22 -1.434 -0.989 5.317 1.00 0.00 H new ATOM 0 HA LYS A 22 0.821 0.152 6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.312 -1.231 7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.188 -2.572 7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.000 -0.248 8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.472 -0.776 9.432 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.851 -2.298 10.470 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.759 -3.192 8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.799 -1.757 8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.960 -1.334 9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.330 -3.232 9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.129 -3.693 10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.972 -4.102 8.810 1.00 0.00 H new ATOM 385 N GLU A 23 1.316 -2.747 5.048 1.00 0.00 N ATOM 386 CA GLU A 23 2.347 -3.645 4.542 1.00 0.00 C ATOM 387 C GLU A 23 3.337 -2.895 3.653 1.00 0.00 C ATOM 388 O GLU A 23 4.553 -3.055 3.785 1.00 0.00 O ATOM 389 CB GLU A 23 1.711 -4.795 3.759 1.00 0.00 C ATOM 390 CG GLU A 23 1.326 -5.983 4.626 1.00 0.00 C ATOM 391 CD GLU A 23 -0.028 -6.557 4.259 1.00 0.00 C ATOM 392 OE1 GLU A 23 -0.530 -6.238 3.162 1.00 0.00 O ATOM 393 OE2 GLU A 23 -0.585 -7.326 5.071 1.00 0.00 O ATOM 0 H GLU A 23 0.364 -3.015 4.799 1.00 0.00 H new ATOM 0 HA GLU A 23 2.890 -4.051 5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.822 -4.427 3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.407 -5.128 2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.084 -6.760 4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.315 -5.677 5.672 1.00 0.00 H new ATOM 400 N ILE A 24 2.811 -2.073 2.749 1.00 0.00 N ATOM 401 CA ILE A 24 3.664 -1.303 1.849 1.00 0.00 C ATOM 402 C ILE A 24 4.568 -0.370 2.654 1.00 0.00 C ATOM 403 O ILE A 24 5.719 -0.134 2.293 1.00 0.00 O ATOM 404 CB ILE A 24 2.843 -0.505 0.780 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.544 0.935 1.224 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.544 -1.221 0.445 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.620 1.916 0.813 1.00 0.00 C ATOM 0 H ILE A 24 1.810 -1.924 2.621 1.00 0.00 H new ATOM 0 HA ILE A 24 4.282 -2.011 1.298 1.00 0.00 H new ATOM 0 HB ILE A 24 3.467 -0.454 -0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.591 1.250 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.433 0.959 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.993 -0.646 -0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.766 -2.211 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.940 -1.320 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.351 2.915 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.570 1.623 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.715 1.918 -0.273 1.00 0.00 H new ATOM 419 N GLU A 25 4.027 0.149 3.754 1.00 0.00 N ATOM 420 CA GLU A 25 4.773 1.049 4.624 1.00 0.00 C ATOM 421 C GLU A 25 6.028 0.365 5.146 1.00 0.00 C ATOM 422 O GLU A 25 7.103 0.961 5.177 1.00 0.00 O ATOM 423 CB GLU A 25 3.898 1.503 5.794 1.00 0.00 C ATOM 424 CG GLU A 25 4.103 2.960 6.179 1.00 0.00 C ATOM 425 CD GLU A 25 2.796 3.690 6.415 1.00 0.00 C ATOM 426 OE1 GLU A 25 2.202 3.506 7.499 1.00 0.00 O ATOM 427 OE2 GLU A 25 2.366 4.443 5.518 1.00 0.00 O ATOM 0 H GLU A 25 3.073 -0.040 4.062 1.00 0.00 H new ATOM 0 HA GLU A 25 5.067 1.924 4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.851 1.348 5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.108 0.874 6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.712 3.011 7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.660 3.466 5.390 1.00 0.00 H new ATOM 434 N ARG A 26 5.885 -0.895 5.546 1.00 0.00 N ATOM 435 CA ARG A 26 7.013 -1.663 6.055 1.00 0.00 C ATOM 436 C ARG A 26 8.114 -1.736 5.005 1.00 0.00 C ATOM 437 O ARG A 26 9.276 -1.433 5.284 1.00 0.00 O ATOM 438 CB ARG A 26 6.565 -3.073 6.444 1.00 0.00 C ATOM 439 CG ARG A 26 7.532 -3.781 7.381 1.00 0.00 C ATOM 440 CD ARG A 26 7.586 -5.274 7.103 1.00 0.00 C ATOM 441 NE ARG A 26 8.865 -5.858 7.496 1.00 0.00 N ATOM 442 CZ ARG A 26 9.179 -6.169 8.749 1.00 0.00 C ATOM 443 NH1 ARG A 26 8.307 -5.954 9.725 1.00 0.00 N ATOM 444 NH2 ARG A 26 10.363 -6.697 9.028 1.00 0.00 N ATOM 0 H ARG A 26 5.001 -1.403 5.527 1.00 0.00 H new ATOM 0 HA ARG A 26 7.402 -1.163 6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.586 -3.016 6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.445 -3.670 5.540 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.528 -3.353 7.269 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.228 -3.613 8.414 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.779 -5.772 7.641 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.418 -5.451 6.041 1.00 0.00 H new ATOM 0 HE ARG A 26 9.556 -6.037 6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.395 -5.550 9.514 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.549 -6.193 10.687 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.035 -6.865 8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.601 -6.935 9.991 1.00 0.00 H new ATOM 458 N HIS A 27 7.737 -2.124 3.791 1.00 0.00 N ATOM 459 CA HIS A 27 8.692 -2.219 2.695 1.00 0.00 C ATOM 460 C HIS A 27 9.293 -0.849 2.389 1.00 0.00 C ATOM 461 O HIS A 27 10.389 -0.749 1.839 1.00 0.00 O ATOM 462 CB HIS A 27 8.015 -2.785 1.446 1.00 0.00 C ATOM 463 CG HIS A 27 8.434 -4.185 1.121 1.00 0.00 C ATOM 464 ND1 HIS A 27 9.709 -4.515 0.714 1.00 0.00 N ATOM 465 CD2 HIS A 27 7.737 -5.347 1.147 1.00 0.00 C ATOM 466 CE1 HIS A 27 9.779 -5.818 0.502 1.00 0.00 C ATOM 467 NE2 HIS A 27 8.597 -6.345 0.759 1.00 0.00 N ATOM 0 H HIS A 27 6.780 -2.377 3.543 1.00 0.00 H new ATOM 0 HA HIS A 27 9.494 -2.893 2.996 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.934 -2.761 1.586 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.241 -2.140 0.597 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.699 -5.466 1.422 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.654 -6.359 0.174 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.360 -7.334 0.682 1.00 0.00 H new ATOM 476 N LYS A 28 8.565 0.204 2.753 1.00 0.00 N ATOM 477 CA LYS A 28 9.021 1.569 2.521 1.00 0.00 C ATOM 478 C LYS A 28 10.050 1.980 3.566 1.00 0.00 C ATOM 479 O LYS A 28 10.910 2.819 3.305 1.00 0.00 O ATOM 480 CB LYS A 28 7.835 2.535 2.554 1.00 0.00 C ATOM 481 CG LYS A 28 8.222 3.982 2.288 1.00 0.00 C ATOM 482 CD LYS A 28 7.062 4.926 2.560 1.00 0.00 C ATOM 483 CE LYS A 28 7.294 5.745 3.819 1.00 0.00 C ATOM 484 NZ LYS A 28 6.066 6.472 4.245 1.00 0.00 N ATOM 0 H LYS A 28 7.656 0.136 3.210 1.00 0.00 H new ATOM 0 HA LYS A 28 9.489 1.609 1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.101 2.221 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.351 2.470 3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.070 4.255 2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.545 4.089 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.928 5.594 1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.141 4.352 2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.624 5.088 4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.097 6.461 3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.267 7.018 5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.765 7.118 3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.307 5.788 4.438 1.00 0.00 H new ATOM 498 N GLN A 29 9.957 1.385 4.749 1.00 0.00 N ATOM 499 CA GLN A 29 10.884 1.691 5.830 1.00 0.00 C ATOM 500 C GLN A 29 12.249 1.074 5.557 1.00 0.00 C ATOM 501 O GLN A 29 13.284 1.675 5.844 1.00 0.00 O ATOM 502 CB GLN A 29 10.336 1.179 7.163 1.00 0.00 C ATOM 503 CG GLN A 29 10.733 2.040 8.352 1.00 0.00 C ATOM 504 CD GLN A 29 9.573 2.309 9.290 1.00 0.00 C ATOM 505 OE1 GLN A 29 9.394 3.427 9.770 1.00 0.00 O ATOM 506 NE2 GLN A 29 8.777 1.279 9.557 1.00 0.00 N ATOM 0 H GLN A 29 9.250 0.689 4.983 1.00 0.00 H new ATOM 0 HA GLN A 29 10.996 2.774 5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.249 1.132 7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.691 0.162 7.326 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.534 1.546 8.903 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.132 2.988 7.992 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.963 0.368 9.137 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.980 1.399 10.182 1.00 0.00 H new ATOM 515 N SER A 30 12.243 -0.131 4.997 1.00 0.00 N ATOM 516 CA SER A 30 13.481 -0.830 4.682 1.00 0.00 C ATOM 517 C SER A 30 14.194 -0.170 3.504 1.00 0.00 C ATOM 518 O SER A 30 15.411 0.015 3.529 1.00 0.00 O ATOM 519 CB SER A 30 13.195 -2.298 4.361 1.00 0.00 C ATOM 520 OG SER A 30 12.552 -2.431 3.105 1.00 0.00 O ATOM 0 H SER A 30 11.395 -0.642 4.753 1.00 0.00 H new ATOM 0 HA SER A 30 14.132 -0.776 5.555 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.129 -2.861 4.356 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.567 -2.728 5.141 1.00 0.00 H new ATOM 0 HG SER A 30 11.836 -1.766 3.032 1.00 0.00 H new ATOM 526 N ILE A 31 13.430 0.183 2.475 1.00 0.00 N ATOM 527 CA ILE A 31 13.993 0.817 1.292 1.00 0.00 C ATOM 528 C ILE A 31 14.358 2.275 1.564 1.00 0.00 C ATOM 529 O ILE A 31 15.224 2.843 0.899 1.00 0.00 O ATOM 530 CB ILE A 31 13.018 0.733 0.101 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.762 1.028 -1.220 1.00 0.00 C ATOM 532 CG2 ILE A 31 11.811 1.647 0.321 1.00 0.00 C ATOM 533 CD1 ILE A 31 13.419 2.350 -1.888 1.00 0.00 C ATOM 0 H ILE A 31 12.421 0.040 2.438 1.00 0.00 H new ATOM 0 HA ILE A 31 14.904 0.275 1.037 1.00 0.00 H new ATOM 0 HB ILE A 31 12.626 -0.282 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.834 1.008 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.551 0.222 -1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.137 1.571 -0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.286 1.344 1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.149 2.678 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 31 13.997 2.455 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 31 12.355 2.373 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.658 3.172 -1.213 1.00 0.00 H new ATOM 545 N LYS A 32 13.701 2.871 2.555 1.00 0.00 N ATOM 546 CA LYS A 32 13.968 4.256 2.919 1.00 0.00 C ATOM 547 C LYS A 32 15.187 4.341 3.831 1.00 0.00 C ATOM 548 O LYS A 32 15.875 5.360 3.873 1.00 0.00 O ATOM 549 CB LYS A 32 12.753 4.878 3.611 1.00 0.00 C ATOM 550 CG LYS A 32 12.905 6.369 3.881 1.00 0.00 C ATOM 551 CD LYS A 32 11.896 6.875 4.906 1.00 0.00 C ATOM 552 CE LYS A 32 10.488 6.362 4.633 1.00 0.00 C ATOM 553 NZ LYS A 32 9.454 7.202 5.296 1.00 0.00 N ATOM 0 H LYS A 32 12.982 2.417 3.118 1.00 0.00 H new ATOM 0 HA LYS A 32 14.171 4.814 2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.870 4.717 2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.579 4.362 4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.915 6.571 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.780 6.920 2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.207 6.563 5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.891 7.965 4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.309 6.347 3.558 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.401 5.334 4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.699 6.592 5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.888 7.734 6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.052 7.867 4.605 1.00 0.00 H new ATOM 567 N LYS A 33 15.451 3.257 4.555 1.00 0.00 N ATOM 568 CA LYS A 33 16.591 3.202 5.461 1.00 0.00 C ATOM 569 C LYS A 33 17.886 3.025 4.677 1.00 0.00 C ATOM 570 O LYS A 33 18.901 3.651 4.986 1.00 0.00 O ATOM 571 CB LYS A 33 16.423 2.057 6.460 1.00 0.00 C ATOM 572 CG LYS A 33 16.618 2.478 7.907 1.00 0.00 C ATOM 573 CD LYS A 33 15.310 2.928 8.537 1.00 0.00 C ATOM 574 CE LYS A 33 15.008 2.148 9.807 1.00 0.00 C ATOM 575 NZ LYS A 33 13.546 1.925 9.987 1.00 0.00 N ATOM 0 H LYS A 33 14.890 2.405 4.531 1.00 0.00 H new ATOM 0 HA LYS A 33 16.639 4.143 6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.427 1.630 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.137 1.269 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.030 1.645 8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.345 3.289 7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.362 3.992 8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.496 2.795 7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.521 1.187 9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.402 2.689 10.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.327 1.858 11.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.020 2.720 9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.269 1.041 9.514 1.00 0.00 H new ATOM 885 N SER B 11 16.877 -0.883 -4.868 1.00 0.00 N ATOM 886 CA SER B 11 16.093 -0.980 -6.090 1.00 0.00 C ATOM 887 C SER B 11 15.107 -2.133 -5.980 1.00 0.00 C ATOM 888 O SER B 11 14.019 -2.095 -6.554 1.00 0.00 O ATOM 889 CB SER B 11 17.010 -1.184 -7.298 1.00 0.00 C ATOM 890 OG SER B 11 16.900 -0.105 -8.210 1.00 0.00 O ATOM 0 HA SER B 11 15.541 -0.050 -6.228 1.00 0.00 H new ATOM 0 HB2 SER B 11 18.043 -1.277 -6.963 1.00 0.00 H new ATOM 0 HB3 SER B 11 16.753 -2.117 -7.800 1.00 0.00 H new ATOM 0 HG SER B 11 17.497 -0.259 -8.972 1.00 0.00 H new ATOM 896 N HIS B 12 15.495 -3.154 -5.221 1.00 0.00 N ATOM 897 CA HIS B 12 14.648 -4.316 -5.016 1.00 0.00 C ATOM 898 C HIS B 12 13.529 -3.975 -4.026 1.00 0.00 C ATOM 899 O HIS B 12 12.354 -4.237 -4.292 1.00 0.00 O ATOM 900 CB HIS B 12 15.512 -5.512 -4.554 1.00 0.00 C ATOM 901 CG HIS B 12 14.945 -6.336 -3.434 1.00 0.00 C ATOM 902 ND1 HIS B 12 14.052 -7.368 -3.628 1.00 0.00 N ATOM 903 CD2 HIS B 12 15.160 -6.270 -2.102 1.00 0.00 C ATOM 904 CE1 HIS B 12 13.740 -7.901 -2.460 1.00 0.00 C ATOM 905 NE2 HIS B 12 14.400 -7.254 -1.519 1.00 0.00 N ATOM 0 H HIS B 12 16.393 -3.196 -4.739 1.00 0.00 H new ATOM 0 HA HIS B 12 14.169 -4.606 -5.951 1.00 0.00 H new ATOM 0 HB2 HIS B 12 15.682 -6.165 -5.410 1.00 0.00 H new ATOM 0 HB3 HIS B 12 16.486 -5.134 -4.244 1.00 0.00 H new ATOM 0 HD1 HIS B 12 13.689 -7.672 -4.531 1.00 0.00 H new ATOM 0 HD2 HIS B 12 15.808 -5.574 -1.591 1.00 0.00 H new ATOM 0 HE1 HIS B 12 13.061 -8.726 -2.303 1.00 0.00 H new ATOM 914 N HIS B 13 13.890 -3.365 -2.897 1.00 0.00 N ATOM 915 CA HIS B 13 12.893 -2.980 -1.907 1.00 0.00 C ATOM 916 C HIS B 13 11.980 -1.910 -2.486 1.00 0.00 C ATOM 917 O HIS B 13 10.818 -1.795 -2.100 1.00 0.00 O ATOM 918 CB HIS B 13 13.547 -2.460 -0.627 1.00 0.00 C ATOM 919 CG HIS B 13 14.433 -3.450 0.055 1.00 0.00 C ATOM 920 ND1 HIS B 13 14.200 -4.809 0.046 1.00 0.00 N ATOM 921 CD2 HIS B 13 15.555 -3.268 0.786 1.00 0.00 C ATOM 922 CE1 HIS B 13 15.142 -5.420 0.742 1.00 0.00 C ATOM 923 NE2 HIS B 13 15.976 -4.506 1.201 1.00 0.00 N ATOM 0 H HIS B 13 14.852 -3.131 -2.650 1.00 0.00 H new ATOM 0 HA HIS B 13 12.311 -3.866 -1.654 1.00 0.00 H new ATOM 0 HB2 HIS B 13 14.131 -1.571 -0.866 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.765 -2.151 0.067 1.00 0.00 H new ATOM 0 HD1 HIS B 13 13.422 -5.271 -0.425 1.00 0.00 H new ATOM 0 HD2 HIS B 13 16.032 -2.324 1.003 1.00 0.00 H new ATOM 0 HE1 HIS B 13 15.217 -6.485 0.907 1.00 0.00 H new ATOM 932 N ALA B 14 12.516 -1.130 -3.424 1.00 0.00 N ATOM 933 CA ALA B 14 11.749 -0.074 -4.068 1.00 0.00 C ATOM 934 C ALA B 14 10.608 -0.673 -4.876 1.00 0.00 C ATOM 935 O ALA B 14 9.460 -0.244 -4.766 1.00 0.00 O ATOM 936 CB ALA B 14 12.649 0.769 -4.959 1.00 0.00 C ATOM 0 H ALA B 14 13.478 -1.212 -3.752 1.00 0.00 H new ATOM 0 HA ALA B 14 11.328 0.572 -3.297 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.060 1.554 -5.433 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.437 1.221 -4.357 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.096 0.137 -5.727 1.00 0.00 H new ATOM 942 N LYS B 15 10.934 -1.682 -5.678 1.00 0.00 N ATOM 943 CA LYS B 15 9.935 -2.358 -6.492 1.00 0.00 C ATOM 944 C LYS B 15 8.916 -3.061 -5.603 1.00 0.00 C ATOM 945 O LYS B 15 7.778 -3.293 -6.009 1.00 0.00 O ATOM 946 CB LYS B 15 10.604 -3.369 -7.427 1.00 0.00 C ATOM 947 CG LYS B 15 9.735 -3.775 -8.606 1.00 0.00 C ATOM 948 CD LYS B 15 10.527 -3.787 -9.903 1.00 0.00 C ATOM 949 CE LYS B 15 10.612 -5.187 -10.491 1.00 0.00 C ATOM 950 NZ LYS B 15 11.768 -5.331 -11.416 1.00 0.00 N ATOM 0 H LYS B 15 11.881 -2.047 -5.780 1.00 0.00 H new ATOM 0 HA LYS B 15 9.419 -1.612 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS B 15 11.535 -2.944 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS B 15 10.867 -4.260 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS B 15 9.315 -4.764 -8.426 1.00 0.00 H new ATOM 0 HG3 LYS B 15 8.897 -3.084 -8.697 1.00 0.00 H new ATOM 0 HD2 LYS B 15 10.058 -3.117 -10.623 1.00 0.00 H new ATOM 0 HD3 LYS B 15 11.532 -3.406 -9.721 1.00 0.00 H new ATOM 0 HE2 LYS B 15 10.700 -5.915 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS B 15 9.689 -5.413 -11.025 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 11.791 -6.299 -11.795 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 11.672 -4.654 -12.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 12.651 -5.141 -10.900 1.00 0.00 H new ATOM 964 N GLU B 16 9.335 -3.399 -4.384 1.00 0.00 N ATOM 965 CA GLU B 16 8.459 -4.073 -3.433 1.00 0.00 C ATOM 966 C GLU B 16 7.443 -3.102 -2.836 1.00 0.00 C ATOM 967 O GLU B 16 6.297 -3.470 -2.587 1.00 0.00 O ATOM 968 CB GLU B 16 9.284 -4.716 -2.317 1.00 0.00 C ATOM 969 CG GLU B 16 9.725 -6.137 -2.628 1.00 0.00 C ATOM 970 CD GLU B 16 10.345 -6.267 -4.006 1.00 0.00 C ATOM 971 OE1 GLU B 16 9.644 -5.982 -5.001 1.00 0.00 O ATOM 972 OE2 GLU B 16 11.529 -6.652 -4.092 1.00 0.00 O ATOM 0 H GLU B 16 10.276 -3.216 -4.034 1.00 0.00 H new ATOM 0 HA GLU B 16 7.915 -4.850 -3.970 1.00 0.00 H new ATOM 0 HB2 GLU B 16 10.166 -4.104 -2.130 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.697 -4.719 -1.398 1.00 0.00 H new ATOM 0 HG2 GLU B 16 10.445 -6.462 -1.877 1.00 0.00 H new ATOM 0 HG3 GLU B 16 8.866 -6.804 -2.556 1.00 0.00 H new ATOM 979 N ILE B 17 7.867 -1.860 -2.613 1.00 0.00 N ATOM 980 CA ILE B 17 6.987 -0.842 -2.049 1.00 0.00 C ATOM 981 C ILE B 17 6.045 -0.292 -3.118 1.00 0.00 C ATOM 982 O ILE B 17 4.959 0.200 -2.808 1.00 0.00 O ATOM 983 CB ILE B 17 7.797 0.316 -1.417 1.00 0.00 C ATOM 984 CG1 ILE B 17 6.869 1.449 -0.959 1.00 0.00 C ATOM 985 CG2 ILE B 17 8.841 0.835 -2.396 1.00 0.00 C ATOM 986 CD1 ILE B 17 7.603 2.701 -0.526 1.00 0.00 C ATOM 0 H ILE B 17 8.813 -1.536 -2.814 1.00 0.00 H new ATOM 0 HA ILE B 17 6.398 -1.317 -1.265 1.00 0.00 H new ATOM 0 HB ILE B 17 8.313 -0.071 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE B 17 6.189 1.701 -1.773 1.00 0.00 H new ATOM 0 HG13 ILE B 17 6.257 1.093 -0.130 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.400 1.649 -1.934 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.525 0.028 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.346 1.200 -3.296 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.881 3.457 -0.216 1.00 0.00 H new ATOM 0 HD12 ILE B 17 8.263 2.465 0.309 1.00 0.00 H new ATOM 0 HD13 ILE B 17 8.194 3.083 -1.359 1.00 0.00 H new ATOM 998 N GLU B 18 6.462 -0.386 -4.376 1.00 0.00 N ATOM 999 CA GLU B 18 5.648 0.096 -5.485 1.00 0.00 C ATOM 1000 C GLU B 18 4.590 -0.936 -5.858 1.00 0.00 C ATOM 1001 O GLU B 18 3.467 -0.586 -6.223 1.00 0.00 O ATOM 1002 CB GLU B 18 6.526 0.409 -6.697 1.00 0.00 C ATOM 1003 CG GLU B 18 6.434 1.855 -7.158 1.00 0.00 C ATOM 1004 CD GLU B 18 5.182 2.129 -7.968 1.00 0.00 C ATOM 1005 OE1 GLU B 18 4.933 1.391 -8.945 1.00 0.00 O ATOM 1006 OE2 GLU B 18 4.450 3.081 -7.626 1.00 0.00 O ATOM 0 H GLU B 18 7.357 -0.791 -4.652 1.00 0.00 H new ATOM 0 HA GLU B 18 5.148 1.012 -5.170 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.563 0.180 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.240 -0.245 -7.521 1.00 0.00 H new ATOM 0 HG2 GLU B 18 6.451 2.512 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU B 18 7.311 2.098 -7.758 1.00 0.00 H new ATOM 1013 N ARG B 19 4.954 -2.210 -5.755 1.00 0.00 N ATOM 1014 CA ARG B 19 4.032 -3.292 -6.072 1.00 0.00 C ATOM 1015 C ARG B 19 2.992 -3.437 -4.969 1.00 0.00 C ATOM 1016 O ARG B 19 1.811 -3.664 -5.237 1.00 0.00 O ATOM 1017 CB ARG B 19 4.794 -4.607 -6.252 1.00 0.00 C ATOM 1018 CG ARG B 19 4.031 -5.647 -7.057 1.00 0.00 C ATOM 1019 CD ARG B 19 4.971 -6.652 -7.701 1.00 0.00 C ATOM 1020 NE ARG B 19 4.260 -7.828 -8.195 1.00 0.00 N ATOM 1021 CZ ARG B 19 3.886 -8.841 -7.421 1.00 0.00 C ATOM 1022 NH1 ARG B 19 4.154 -8.821 -6.122 1.00 0.00 N ATOM 1023 NH2 ARG B 19 3.242 -9.876 -7.944 1.00 0.00 N ATOM 0 H ARG B 19 5.879 -2.517 -5.455 1.00 0.00 H new ATOM 0 HA ARG B 19 3.524 -3.052 -7.006 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.744 -4.402 -6.746 1.00 0.00 H new ATOM 0 HB3 ARG B 19 5.028 -5.019 -5.270 1.00 0.00 H new ATOM 0 HG2 ARG B 19 3.329 -6.169 -6.407 1.00 0.00 H new ATOM 0 HG3 ARG B 19 3.442 -5.151 -7.829 1.00 0.00 H new ATOM 0 HD2 ARG B 19 5.501 -6.176 -8.526 1.00 0.00 H new ATOM 0 HD3 ARG B 19 5.723 -6.961 -6.975 1.00 0.00 H new ATOM 0 HE ARG B 19 4.038 -7.874 -9.190 1.00 0.00 H new ATOM 0 HH11 ARG B 19 4.648 -8.027 -5.715 1.00 0.00 H new ATOM 0 HH12 ARG B 19 3.866 -9.600 -5.530 1.00 0.00 H new ATOM 0 HH21 ARG B 19 3.033 -9.895 -8.942 1.00 0.00 H new ATOM 0 HH22 ARG B 19 2.956 -10.653 -7.348 1.00 0.00 H new ATOM 1037 N LEU B 20 3.438 -3.291 -3.725 1.00 0.00 N ATOM 1038 CA LEU B 20 2.546 -3.394 -2.583 1.00 0.00 C ATOM 1039 C LEU B 20 1.565 -2.230 -2.574 1.00 0.00 C ATOM 1040 O LEU B 20 0.386 -2.401 -2.268 1.00 0.00 O ATOM 1041 CB LEU B 20 3.350 -3.416 -1.280 1.00 0.00 C ATOM 1042 CG LEU B 20 2.964 -4.522 -0.296 1.00 0.00 C ATOM 1043 CD1 LEU B 20 1.452 -4.623 -0.169 1.00 0.00 C ATOM 1044 CD2 LEU B 20 3.552 -5.854 -0.737 1.00 0.00 C ATOM 0 H LEU B 20 4.411 -3.101 -3.486 1.00 0.00 H new ATOM 0 HA LEU B 20 1.985 -4.325 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.407 -3.522 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU B 20 3.233 -2.453 -0.783 1.00 0.00 H new ATOM 0 HG LEU B 20 3.373 -4.270 0.682 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.198 -5.415 0.535 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.053 -3.675 0.192 1.00 0.00 H new ATOM 0 HD13 LEU B 20 1.019 -4.851 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.268 -6.630 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU B 20 3.171 -6.110 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU B 20 4.639 -5.777 -0.775 1.00 0.00 H new ATOM 1056 N GLN B 21 2.061 -1.044 -2.923 1.00 0.00 N ATOM 1057 CA GLN B 21 1.226 0.151 -2.965 1.00 0.00 C ATOM 1058 C GLN B 21 0.144 0.009 -4.028 1.00 0.00 C ATOM 1059 O GLN B 21 -0.988 0.454 -3.839 1.00 0.00 O ATOM 1060 CB GLN B 21 2.080 1.387 -3.250 1.00 0.00 C ATOM 1061 CG GLN B 21 1.268 2.660 -3.422 1.00 0.00 C ATOM 1062 CD GLN B 21 2.139 3.894 -3.561 1.00 0.00 C ATOM 1063 OE1 GLN B 21 1.875 4.927 -2.945 1.00 0.00 O ATOM 1064 NE2 GLN B 21 3.185 3.791 -4.372 1.00 0.00 N ATOM 0 H GLN B 21 3.036 -0.887 -3.180 1.00 0.00 H new ATOM 0 HA GLN B 21 0.748 0.270 -1.993 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.788 1.525 -2.433 1.00 0.00 H new ATOM 0 HB3 GLN B 21 2.665 1.214 -4.153 1.00 0.00 H new ATOM 0 HG2 GLN B 21 0.635 2.566 -4.304 1.00 0.00 H new ATOM 0 HG3 GLN B 21 0.605 2.782 -2.565 1.00 0.00 H new ATOM 0 HE21 GLN B 21 3.366 2.915 -4.863 1.00 0.00 H new ATOM 0 HE22 GLN B 21 3.808 4.588 -4.505 1.00 0.00 H new ATOM 1073 N LYS B 22 0.498 -0.616 -5.146 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.445 -0.822 -6.237 1.00 0.00 C ATOM 1075 C LYS B 22 -1.622 -1.674 -5.776 1.00 0.00 C ATOM 1076 O LYS B 22 -2.777 -1.365 -6.065 1.00 0.00 O ATOM 1077 CB LYS B 22 0.252 -1.491 -7.423 1.00 0.00 C ATOM 1078 CG LYS B 22 -0.330 -1.098 -8.771 1.00 0.00 C ATOM 1079 CD LYS B 22 -1.087 -2.252 -9.410 1.00 0.00 C ATOM 1080 CE LYS B 22 -2.589 -2.100 -9.229 1.00 0.00 C ATOM 1081 NZ LYS B 22 -3.310 -3.379 -9.477 1.00 0.00 N ATOM 0 H LYS B 22 1.432 -0.988 -5.319 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.822 0.151 -6.551 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.311 -1.233 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.186 -2.573 -7.310 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -1.000 -0.248 -8.645 1.00 0.00 H new ATOM 0 HG3 LYS B 22 0.472 -0.776 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -0.850 -2.300 -10.473 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -0.759 -3.193 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -2.800 -1.755 -8.217 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -2.961 -1.335 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -4.331 -3.233 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -3.130 -3.696 -10.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -2.973 -4.102 -8.810 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.318 -2.748 -5.051 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.352 -3.644 -4.546 1.00 0.00 C ATOM 1097 C GLU B 23 -3.339 -2.893 -3.657 1.00 0.00 C ATOM 1098 O GLU B 23 -4.557 -3.050 -3.790 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.717 -4.795 -3.762 1.00 0.00 C ATOM 1100 CG GLU B 23 -1.330 -5.982 -4.629 1.00 0.00 C ATOM 1101 CD GLU B 23 0.025 -6.555 -4.262 1.00 0.00 C ATOM 1102 OE1 GLU B 23 0.526 -6.236 -3.162 1.00 0.00 O ATOM 1103 OE2 GLU B 23 0.585 -7.321 -5.073 1.00 0.00 O ATOM 0 H GLU B 23 -0.366 -3.017 -4.801 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.896 -4.048 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.829 -4.427 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -2.415 -5.129 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -2.087 -6.760 -4.533 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -1.319 -5.675 -5.675 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.814 -2.075 -2.751 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.665 -1.305 -1.850 1.00 0.00 C ATOM 1112 C ILE B 24 -4.571 -0.372 -2.654 1.00 0.00 C ATOM 1113 O ILE B 24 -5.724 -0.140 -2.293 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.845 -0.505 -0.781 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.544 0.934 -1.225 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.545 -1.222 -0.447 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.621 1.916 -0.815 1.00 0.00 C ATOM 0 H ILE B 24 -1.813 -1.928 -2.621 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.281 -2.015 -1.298 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.470 -0.452 0.111 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.592 1.248 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.431 0.958 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -0.993 -0.647 0.297 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.767 -2.212 -0.049 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.942 -1.321 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.352 2.915 -1.157 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.570 1.623 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -3.718 1.918 0.271 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.031 0.153 -3.752 1.00 0.00 N ATOM 1130 CA GLU B 25 -4.778 1.053 -4.619 1.00 0.00 C ATOM 1131 C GLU B 25 -6.036 0.368 -5.138 1.00 0.00 C ATOM 1132 O GLU B 25 -7.114 0.960 -5.158 1.00 0.00 O ATOM 1133 CB GLU B 25 -3.908 1.508 -5.792 1.00 0.00 C ATOM 1134 CG GLU B 25 -4.111 2.965 -6.173 1.00 0.00 C ATOM 1135 CD GLU B 25 -2.803 3.693 -6.412 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -2.211 3.508 -7.496 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -2.371 4.448 -5.516 1.00 0.00 O ATOM 0 H GLU B 25 -3.076 -0.032 -4.060 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.069 1.928 -4.038 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -2.860 1.351 -5.538 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.124 0.882 -6.658 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.723 3.019 -7.074 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -4.664 3.470 -5.381 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.890 -0.888 -5.547 1.00 0.00 N ATOM 1145 CA ARG B 26 -7.017 -1.658 -6.054 1.00 0.00 C ATOM 1146 C ARG B 26 -8.117 -1.729 -5.003 1.00 0.00 C ATOM 1147 O ARG B 26 -9.280 -1.430 -5.282 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.570 -3.068 -6.444 1.00 0.00 C ATOM 1149 CG ARG B 26 -7.535 -3.776 -7.380 1.00 0.00 C ATOM 1150 CD ARG B 26 -7.587 -5.269 -7.102 1.00 0.00 C ATOM 1151 NE ARG B 26 -8.866 -5.855 -7.494 1.00 0.00 N ATOM 1152 CZ ARG B 26 -9.179 -6.168 -8.747 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -8.308 -5.953 -9.724 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -10.363 -6.697 -9.025 1.00 0.00 N ATOM 0 H ARG B 26 -5.004 -1.392 -5.537 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.407 -1.160 -6.942 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.591 -3.011 -6.920 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.450 -3.665 -5.540 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -8.532 -3.349 -7.268 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -7.231 -3.608 -8.413 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -6.780 -5.766 -7.641 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -7.418 -5.446 -6.040 1.00 0.00 H new ATOM 0 HE ARG B 26 -9.557 -6.034 -6.766 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -7.396 -5.547 -9.514 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -8.550 -6.194 -10.685 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -11.035 -6.864 -8.276 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -10.601 -6.937 -9.987 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.739 -2.113 -3.788 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.694 -2.208 -2.691 1.00 0.00 C ATOM 1170 C HIS B 27 -9.293 -0.837 -2.384 1.00 0.00 C ATOM 1171 O HIS B 27 -10.389 -0.737 -1.829 1.00 0.00 O ATOM 1172 CB HIS B 27 -8.016 -2.774 -1.442 1.00 0.00 C ATOM 1173 CG HIS B 27 -8.432 -4.176 -1.119 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -9.708 -4.509 -0.711 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -7.735 -5.337 -1.147 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -9.776 -5.811 -0.501 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -8.593 -6.336 -0.758 1.00 0.00 N ATOM 0 H HIS B 27 -6.782 -2.362 -3.539 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.496 -2.882 -2.992 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.935 -2.747 -1.581 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.244 -2.131 -0.592 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -6.698 -5.455 -1.424 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -10.651 -6.354 -0.175 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -8.354 -7.325 -0.680 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.568 0.217 -2.751 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.024 1.583 -2.520 1.00 0.00 C ATOM 1188 C LYS B 28 -10.054 1.996 -3.564 1.00 0.00 C ATOM 1189 O LYS B 28 -10.909 2.842 -3.307 1.00 0.00 O ATOM 1190 CB LYS B 28 -7.838 2.549 -2.553 1.00 0.00 C ATOM 1191 CG LYS B 28 -8.224 3.994 -2.286 1.00 0.00 C ATOM 1192 CD LYS B 28 -7.065 4.939 -2.562 1.00 0.00 C ATOM 1193 CE LYS B 28 -7.302 5.757 -3.821 1.00 0.00 C ATOM 1194 NZ LYS B 28 -6.075 6.481 -4.253 1.00 0.00 N ATOM 0 H LYS B 28 -7.660 0.150 -3.211 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.492 1.622 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.103 2.235 -1.812 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.355 2.485 -3.528 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.074 4.266 -2.911 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.544 4.101 -1.249 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -6.929 5.608 -1.712 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.144 4.366 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -7.637 5.099 -4.623 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.103 6.475 -3.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -6.279 7.027 -5.115 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -5.770 7.128 -3.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -5.318 5.795 -4.449 1.00 0.00 H new ATOM 1208 N GLN B 29 -9.967 1.390 -4.743 1.00 0.00 N ATOM 1209 CA GLN B 29 -10.893 1.693 -5.826 1.00 0.00 C ATOM 1210 C GLN B 29 -12.257 1.072 -5.553 1.00 0.00 C ATOM 1211 O GLN B 29 -13.293 1.669 -5.842 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.342 1.181 -7.157 1.00 0.00 C ATOM 1213 CG GLN B 29 -10.738 2.040 -8.347 1.00 0.00 C ATOM 1214 CD GLN B 29 -9.577 2.306 -9.286 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -9.396 3.424 -9.768 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -8.782 1.275 -9.551 1.00 0.00 N ATOM 0 H GLN B 29 -9.265 0.687 -4.972 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.008 2.775 -5.885 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.255 1.135 -7.098 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.695 0.163 -7.320 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -11.539 1.546 -8.897 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -11.136 2.990 -7.989 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -8.969 0.365 -9.129 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -7.985 1.393 -10.176 1.00 0.00 H new ATOM 1225 N SER B 30 -12.246 -0.132 -4.990 1.00 0.00 N ATOM 1226 CA SER B 30 -13.483 -0.835 -4.673 1.00 0.00 C ATOM 1227 C SER B 30 -14.196 -0.177 -3.496 1.00 0.00 C ATOM 1228 O SER B 30 -15.414 0.004 -3.519 1.00 0.00 O ATOM 1229 CB SER B 30 -13.192 -2.302 -4.354 1.00 0.00 C ATOM 1230 OG SER B 30 -12.547 -2.434 -3.099 1.00 0.00 O ATOM 0 H SER B 30 -11.396 -0.640 -4.745 1.00 0.00 H new ATOM 0 HA SER B 30 -14.136 -0.783 -5.544 1.00 0.00 H new ATOM 0 HB2 SER B 30 -14.124 -2.868 -4.349 1.00 0.00 H new ATOM 0 HB3 SER B 30 -12.564 -2.730 -5.136 1.00 0.00 H new ATOM 0 HG SER B 30 -11.825 -1.775 -3.032 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.432 0.179 -2.467 1.00 0.00 N ATOM 1237 CA ILE B 31 -13.996 0.814 -1.285 1.00 0.00 C ATOM 1238 C ILE B 31 -14.355 2.273 -1.560 1.00 0.00 C ATOM 1239 O ILE B 31 -15.222 2.845 -0.899 1.00 0.00 O ATOM 1240 CB ILE B 31 -13.022 0.729 -0.093 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.767 1.028 1.227 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -11.813 1.640 -0.313 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -13.423 2.350 1.892 1.00 0.00 C ATOM 0 H ILE B 31 -12.422 0.038 -2.430 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.908 0.275 -1.030 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.633 -0.286 -0.018 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -14.839 1.009 1.030 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -13.558 0.223 1.931 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -11.140 1.564 0.541 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.288 1.335 -1.218 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.149 2.671 -0.419 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -14.002 2.458 2.809 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -12.359 2.372 2.130 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.660 3.171 1.215 1.00 0.00 H new