USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=5 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 HD1:sc= -4.04! K(o=-7.9!,f=-6) USER MOD Set 1.2: B 13 HIS : no HE2:sc= -3.85! X(o=-7.9!,f=-7.6) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.633 X(o=-0.63,f=-0.5) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0893 X(o=-0.089,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -0.0554 (180deg=-0.492) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -0.56 X(o=-0.56,f=-0.47) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N HIS A 13 -13.313 -3.833 2.125 1.00 0.00 N ATOM 205 CA HIS A 13 -12.359 -3.045 1.346 1.00 0.00 C ATOM 206 C HIS A 13 -11.585 -2.084 2.244 1.00 0.00 C ATOM 207 O HIS A 13 -10.534 -1.575 1.859 1.00 0.00 O ATOM 208 CB HIS A 13 -13.071 -2.241 0.259 1.00 0.00 C ATOM 209 CG HIS A 13 -14.027 -3.036 -0.569 1.00 0.00 C ATOM 210 ND1 HIS A 13 -13.832 -4.361 -0.895 1.00 0.00 N ATOM 211 CD2 HIS A 13 -15.191 -2.673 -1.151 1.00 0.00 C ATOM 212 CE1 HIS A 13 -14.838 -4.779 -1.643 1.00 0.00 C ATOM 213 NE2 HIS A 13 -15.676 -3.773 -1.812 1.00 0.00 N ATOM 0 HA HIS A 13 -11.665 -3.745 0.881 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.612 -1.419 0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.322 -1.797 -0.397 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.654 -1.698 -1.105 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -14.955 -5.774 -2.047 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -16.544 -3.808 -2.347 1.00 0.00 H new ATOM 222 N ALA A 14 -12.113 -1.830 3.440 1.00 0.00 N ATOM 223 CA ALA A 14 -11.468 -0.926 4.381 1.00 0.00 C ATOM 224 C ALA A 14 -10.327 -1.626 5.101 1.00 0.00 C ATOM 225 O ALA A 14 -9.265 -1.044 5.318 1.00 0.00 O ATOM 226 CB ALA A 14 -12.480 -0.387 5.381 1.00 0.00 C ATOM 0 H ALA A 14 -12.985 -2.239 3.777 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.055 -0.086 3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.980 0.287 6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.263 0.154 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.923 -1.216 5.933 1.00 0.00 H new ATOM 232 N LYS A 15 -10.550 -2.883 5.461 1.00 0.00 N ATOM 233 CA LYS A 15 -9.528 -3.665 6.143 1.00 0.00 C ATOM 234 C LYS A 15 -8.479 -4.152 5.149 1.00 0.00 C ATOM 235 O LYS A 15 -7.332 -4.408 5.516 1.00 0.00 O ATOM 236 CB LYS A 15 -10.160 -4.857 6.866 1.00 0.00 C ATOM 237 CG LYS A 15 -9.591 -5.098 8.254 1.00 0.00 C ATOM 238 CD LYS A 15 -10.590 -5.808 9.152 1.00 0.00 C ATOM 239 CE LYS A 15 -10.028 -7.112 9.693 1.00 0.00 C ATOM 240 NZ LYS A 15 -10.743 -7.561 10.919 1.00 0.00 N ATOM 0 H LYS A 15 -11.424 -3.381 5.293 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.042 -3.026 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.235 -4.694 6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.018 -5.754 6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.682 -5.695 8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.310 -4.145 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.861 -5.156 9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.504 -6.009 8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.102 -7.884 8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.969 -6.985 9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.329 -8.454 11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.652 -6.836 11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.749 -7.707 10.700 1.00 0.00 H new ATOM 254 N GLU A 16 -8.879 -4.269 3.885 1.00 0.00 N ATOM 255 CA GLU A 16 -7.973 -4.718 2.835 1.00 0.00 C ATOM 256 C GLU A 16 -7.081 -3.575 2.363 1.00 0.00 C ATOM 257 O GLU A 16 -5.901 -3.776 2.076 1.00 0.00 O ATOM 258 CB GLU A 16 -8.766 -5.285 1.654 1.00 0.00 C ATOM 259 CG GLU A 16 -8.821 -6.804 1.631 1.00 0.00 C ATOM 260 CD GLU A 16 -9.627 -7.375 2.782 1.00 0.00 C ATOM 261 OE1 GLU A 16 -9.901 -6.627 3.745 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.983 -8.571 2.722 1.00 0.00 O ATOM 0 H GLU A 16 -9.824 -4.059 3.565 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.339 -5.504 3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.783 -4.893 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.320 -4.932 0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.257 -7.134 0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.807 -7.201 1.670 1.00 0.00 H new ATOM 269 N ILE A 17 -7.649 -2.374 2.285 1.00 0.00 N ATOM 270 CA ILE A 17 -6.897 -1.204 1.853 1.00 0.00 C ATOM 271 C ILE A 17 -5.979 -0.711 2.967 1.00 0.00 C ATOM 272 O ILE A 17 -4.874 -0.234 2.709 1.00 0.00 O ATOM 273 CB ILE A 17 -7.851 -0.071 1.414 1.00 0.00 C ATOM 274 CG1 ILE A 17 -7.076 1.112 0.826 1.00 0.00 C ATOM 275 CG2 ILE A 17 -8.722 0.375 2.580 1.00 0.00 C ATOM 276 CD1 ILE A 17 -6.312 1.930 1.846 1.00 0.00 C ATOM 0 H ILE A 17 -8.625 -2.188 2.515 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.285 -1.495 0.999 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.500 -0.462 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.375 0.737 0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.775 1.766 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.388 1.174 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.314 -0.468 2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.089 0.740 3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.793 2.746 1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.007 2.339 2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.585 1.294 2.351 1.00 0.00 H new ATOM 288 N GLU A 18 -6.434 -0.837 4.208 1.00 0.00 N ATOM 289 CA GLU A 18 -5.643 -0.405 5.353 1.00 0.00 C ATOM 290 C GLU A 18 -4.566 -1.430 5.685 1.00 0.00 C ATOM 291 O GLU A 18 -3.515 -1.089 6.230 1.00 0.00 O ATOM 292 CB GLU A 18 -6.545 -0.181 6.568 1.00 0.00 C ATOM 293 CG GLU A 18 -5.785 0.228 7.820 1.00 0.00 C ATOM 294 CD GLU A 18 -6.558 -0.064 9.092 1.00 0.00 C ATOM 295 OE1 GLU A 18 -7.643 0.526 9.275 1.00 0.00 O ATOM 296 OE2 GLU A 18 -6.078 -0.882 9.904 1.00 0.00 O ATOM 0 H GLU A 18 -7.343 -1.233 4.446 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.157 0.536 5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.278 0.590 6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.100 -1.097 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.831 -0.298 7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.560 1.293 7.772 1.00 0.00 H new ATOM 303 N ARG A 19 -4.834 -2.689 5.355 1.00 0.00 N ATOM 304 CA ARG A 19 -3.889 -3.765 5.623 1.00 0.00 C ATOM 305 C ARG A 19 -2.789 -3.814 4.567 1.00 0.00 C ATOM 306 O ARG A 19 -1.638 -4.134 4.874 1.00 0.00 O ATOM 307 CB ARG A 19 -4.617 -5.108 5.677 1.00 0.00 C ATOM 308 CG ARG A 19 -3.697 -6.287 5.949 1.00 0.00 C ATOM 309 CD ARG A 19 -4.219 -7.561 5.304 1.00 0.00 C ATOM 310 NE ARG A 19 -3.582 -8.753 5.857 1.00 0.00 N ATOM 311 CZ ARG A 19 -3.937 -9.310 7.010 1.00 0.00 C ATOM 312 NH1 ARG A 19 -4.919 -8.783 7.728 1.00 0.00 N ATOM 313 NH2 ARG A 19 -3.309 -10.394 7.446 1.00 0.00 N ATOM 0 H ARG A 19 -5.697 -2.988 4.902 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.425 -3.567 6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.381 -5.067 6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.133 -5.271 4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.700 -6.067 5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.602 -6.435 7.025 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.297 -7.626 5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.044 -7.522 4.229 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.822 -9.182 5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.403 -7.949 7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.191 -9.212 8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.553 -10.801 6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.583 -10.820 8.331 1.00 0.00 H new ATOM 327 N LEU A 20 -3.137 -3.492 3.323 1.00 0.00 N ATOM 328 CA LEU A 20 -2.166 -3.507 2.246 1.00 0.00 C ATOM 329 C LEU A 20 -1.323 -2.239 2.282 1.00 0.00 C ATOM 330 O LEU A 20 -0.173 -2.237 1.845 1.00 0.00 O ATOM 331 CB LEU A 20 -2.871 -3.662 0.899 1.00 0.00 C ATOM 332 CG LEU A 20 -3.595 -4.994 0.697 1.00 0.00 C ATOM 333 CD1 LEU A 20 -4.447 -4.954 -0.562 1.00 0.00 C ATOM 334 CD2 LEU A 20 -2.596 -6.139 0.630 1.00 0.00 C ATOM 0 H LEU A 20 -4.079 -3.220 3.043 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.501 -4.361 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.593 -2.853 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.134 -3.542 0.105 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.252 -5.161 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.954 -5.910 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.188 -4.159 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.811 -4.764 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.129 -7.079 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.913 -5.978 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.029 -6.182 1.560 1.00 0.00 H new ATOM 346 N GLN A 21 -1.892 -1.167 2.833 1.00 0.00 N ATOM 347 CA GLN A 21 -1.175 0.095 2.953 1.00 0.00 C ATOM 348 C GLN A 21 -0.152 -0.004 4.078 1.00 0.00 C ATOM 349 O GLN A 21 0.964 0.501 3.965 1.00 0.00 O ATOM 350 CB GLN A 21 -2.146 1.253 3.223 1.00 0.00 C ATOM 351 CG GLN A 21 -1.460 2.552 3.618 1.00 0.00 C ATOM 352 CD GLN A 21 -1.783 3.693 2.673 1.00 0.00 C ATOM 353 OE1 GLN A 21 -2.517 4.617 3.025 1.00 0.00 O ATOM 354 NE2 GLN A 21 -1.236 3.634 1.465 1.00 0.00 N ATOM 0 H GLN A 21 -2.843 -1.150 3.201 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.662 0.295 2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.746 1.427 2.330 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.833 0.960 4.017 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.763 2.826 4.629 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.381 2.397 3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.634 2.850 1.216 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.418 4.373 0.786 1.00 0.00 H new ATOM 363 N LYS A 22 -0.542 -0.672 5.160 1.00 0.00 N ATOM 364 CA LYS A 22 0.343 -0.855 6.301 1.00 0.00 C ATOM 365 C LYS A 22 1.574 -1.648 5.888 1.00 0.00 C ATOM 366 O LYS A 22 2.704 -1.275 6.207 1.00 0.00 O ATOM 367 CB LYS A 22 -0.390 -1.575 7.436 1.00 0.00 C ATOM 368 CG LYS A 22 0.495 -1.889 8.631 1.00 0.00 C ATOM 369 CD LYS A 22 0.006 -3.118 9.379 1.00 0.00 C ATOM 370 CE LYS A 22 0.361 -4.398 8.639 1.00 0.00 C ATOM 371 NZ LYS A 22 -0.274 -5.593 9.262 1.00 0.00 N ATOM 0 H LYS A 22 -1.464 -1.094 5.268 1.00 0.00 H new ATOM 0 HA LYS A 22 0.658 0.126 6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.226 -0.958 7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.811 -2.504 7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.519 -2.050 8.294 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.513 -1.034 9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.447 -3.138 10.376 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.075 -3.060 9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.042 -4.317 7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.444 -4.525 8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.008 -6.445 8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.050 -5.685 10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.308 -5.484 9.247 1.00 0.00 H new ATOM 385 N GLU A 23 1.350 -2.743 5.166 1.00 0.00 N ATOM 386 CA GLU A 23 2.446 -3.583 4.701 1.00 0.00 C ATOM 387 C GLU A 23 3.403 -2.778 3.829 1.00 0.00 C ATOM 388 O GLU A 23 4.615 -2.767 4.062 1.00 0.00 O ATOM 389 CB GLU A 23 1.906 -4.782 3.918 1.00 0.00 C ATOM 390 CG GLU A 23 2.688 -6.063 4.151 1.00 0.00 C ATOM 391 CD GLU A 23 1.869 -7.125 4.858 1.00 0.00 C ATOM 392 OE1 GLU A 23 0.827 -6.774 5.451 1.00 0.00 O ATOM 393 OE2 GLU A 23 2.268 -8.308 4.817 1.00 0.00 O ATOM 0 H GLU A 23 0.422 -3.067 4.892 1.00 0.00 H new ATOM 0 HA GLU A 23 2.990 -3.949 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.865 -4.947 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.920 -4.546 2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.033 -6.453 3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.576 -5.840 4.743 1.00 0.00 H new ATOM 400 N ILE A 24 2.854 -2.093 2.828 1.00 0.00 N ATOM 401 CA ILE A 24 3.669 -1.280 1.936 1.00 0.00 C ATOM 402 C ILE A 24 4.313 -0.121 2.691 1.00 0.00 C ATOM 403 O ILE A 24 5.301 0.454 2.234 1.00 0.00 O ATOM 404 CB ILE A 24 2.856 -0.734 0.746 1.00 0.00 C ATOM 405 CG1 ILE A 24 3.752 0.111 -0.170 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.641 0.049 1.218 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.865 1.571 0.230 1.00 0.00 C ATOM 0 H ILE A 24 1.856 -2.086 2.617 1.00 0.00 H new ATOM 0 HA ILE A 24 4.449 -1.932 1.543 1.00 0.00 H new ATOM 0 HB ILE A 24 2.485 -1.580 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.750 -0.327 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.365 0.055 -1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.089 0.420 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.996 -0.602 1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.966 0.890 1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.517 2.091 -0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.876 2.030 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.283 1.642 1.234 1.00 0.00 H new ATOM 419 N GLU A 25 3.762 0.205 3.857 1.00 0.00 N ATOM 420 CA GLU A 25 4.301 1.280 4.676 1.00 0.00 C ATOM 421 C GLU A 25 5.631 0.851 5.281 1.00 0.00 C ATOM 422 O GLU A 25 6.575 1.637 5.357 1.00 0.00 O ATOM 423 CB GLU A 25 3.314 1.655 5.784 1.00 0.00 C ATOM 424 CG GLU A 25 3.537 3.045 6.353 1.00 0.00 C ATOM 425 CD GLU A 25 2.576 3.375 7.478 1.00 0.00 C ATOM 426 OE1 GLU A 25 2.012 2.433 8.072 1.00 0.00 O ATOM 427 OE2 GLU A 25 2.386 4.576 7.764 1.00 0.00 O ATOM 0 H GLU A 25 2.945 -0.260 4.253 1.00 0.00 H new ATOM 0 HA GLU A 25 4.461 2.155 4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.299 1.591 5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.391 0.925 6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.561 3.124 6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.426 3.782 5.557 1.00 0.00 H new ATOM 434 N ARG A 26 5.699 -0.411 5.696 1.00 0.00 N ATOM 435 CA ARG A 26 6.916 -0.959 6.280 1.00 0.00 C ATOM 436 C ARG A 26 8.023 -1.014 5.235 1.00 0.00 C ATOM 437 O ARG A 26 9.143 -0.555 5.473 1.00 0.00 O ATOM 438 CB ARG A 26 6.655 -2.356 6.844 1.00 0.00 C ATOM 439 CG ARG A 26 6.112 -2.348 8.262 1.00 0.00 C ATOM 440 CD ARG A 26 5.427 -3.662 8.604 1.00 0.00 C ATOM 441 NE ARG A 26 6.327 -4.587 9.287 1.00 0.00 N ATOM 442 CZ ARG A 26 6.069 -5.880 9.447 1.00 0.00 C ATOM 443 NH1 ARG A 26 4.943 -6.398 8.976 1.00 0.00 N ATOM 444 NH2 ARG A 26 6.937 -6.658 10.080 1.00 0.00 N ATOM 0 H ARG A 26 4.925 -1.072 5.638 1.00 0.00 H new ATOM 0 HA ARG A 26 7.233 -0.308 7.095 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.948 -2.874 6.196 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.584 -2.926 6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.926 -2.168 8.964 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.404 -1.527 8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.561 -3.466 9.236 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.056 -4.126 7.690 1.00 0.00 H new ATOM 0 HE ARG A 26 7.202 -4.220 9.662 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.272 -5.803 8.489 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.747 -7.391 9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.804 -6.263 10.445 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.737 -7.651 10.202 1.00 0.00 H new ATOM 458 N HIS A 27 7.699 -1.566 4.068 1.00 0.00 N ATOM 459 CA HIS A 27 8.663 -1.663 2.984 1.00 0.00 C ATOM 460 C HIS A 27 9.023 -0.274 2.470 1.00 0.00 C ATOM 461 O HIS A 27 10.091 -0.074 1.895 1.00 0.00 O ATOM 462 CB HIS A 27 8.102 -2.516 1.845 1.00 0.00 C ATOM 463 CG HIS A 27 8.634 -3.915 1.826 1.00 0.00 C ATOM 464 ND1 HIS A 27 9.979 -4.207 1.725 1.00 0.00 N ATOM 465 CD2 HIS A 27 7.996 -5.107 1.896 1.00 0.00 C ATOM 466 CE1 HIS A 27 10.145 -5.518 1.734 1.00 0.00 C ATOM 467 NE2 HIS A 27 8.957 -6.086 1.837 1.00 0.00 N ATOM 0 H HIS A 27 6.779 -1.950 3.853 1.00 0.00 H new ATOM 0 HA HIS A 27 9.565 -2.141 3.366 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.016 -2.550 1.929 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.333 -2.035 0.894 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.930 -5.259 1.982 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.090 -6.036 1.668 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.782 -7.090 1.868 1.00 0.00 H new ATOM 476 N LYS A 28 8.121 0.683 2.685 1.00 0.00 N ATOM 477 CA LYS A 28 8.340 2.053 2.246 1.00 0.00 C ATOM 478 C LYS A 28 9.283 2.786 3.191 1.00 0.00 C ATOM 479 O LYS A 28 9.949 3.742 2.796 1.00 0.00 O ATOM 480 CB LYS A 28 7.010 2.801 2.150 1.00 0.00 C ATOM 481 CG LYS A 28 7.152 4.234 1.664 1.00 0.00 C ATOM 482 CD LYS A 28 6.465 5.212 2.606 1.00 0.00 C ATOM 483 CE LYS A 28 4.972 4.946 2.692 1.00 0.00 C ATOM 484 NZ LYS A 28 4.172 6.103 2.202 1.00 0.00 N ATOM 0 H LYS A 28 7.232 0.531 3.161 1.00 0.00 H new ATOM 0 HA LYS A 28 8.801 2.020 1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.347 2.261 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.533 2.804 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.209 4.488 1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.723 4.325 0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.907 5.134 3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.635 6.232 2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.727 4.061 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.701 4.729 3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.159 5.881 2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.387 6.942 2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.411 6.295 1.208 1.00 0.00 H new ATOM 498 N GLN A 29 9.341 2.331 4.436 1.00 0.00 N ATOM 499 CA GLN A 29 10.212 2.949 5.426 1.00 0.00 C ATOM 500 C GLN A 29 11.653 2.495 5.226 1.00 0.00 C ATOM 501 O GLN A 29 12.588 3.280 5.377 1.00 0.00 O ATOM 502 CB GLN A 29 9.743 2.605 6.841 1.00 0.00 C ATOM 503 CG GLN A 29 10.584 3.244 7.933 1.00 0.00 C ATOM 504 CD GLN A 29 10.268 2.693 9.309 1.00 0.00 C ATOM 505 OE1 GLN A 29 9.921 3.440 10.224 1.00 0.00 O ATOM 506 NE2 GLN A 29 10.388 1.380 9.463 1.00 0.00 N ATOM 0 H GLN A 29 8.798 1.540 4.783 1.00 0.00 H new ATOM 0 HA GLN A 29 10.165 4.030 5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.707 2.923 6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.760 1.522 6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.640 3.083 7.715 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.419 4.321 7.930 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.679 0.799 8.677 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.190 0.952 10.368 1.00 0.00 H new ATOM 515 N SER A 30 11.822 1.224 4.879 1.00 0.00 N ATOM 516 CA SER A 30 13.152 0.669 4.652 1.00 0.00 C ATOM 517 C SER A 30 13.733 1.180 3.335 1.00 0.00 C ATOM 518 O SER A 30 14.910 1.539 3.262 1.00 0.00 O ATOM 519 CB SER A 30 13.094 -0.859 4.640 1.00 0.00 C ATOM 520 OG SER A 30 13.739 -1.403 5.779 1.00 0.00 O ATOM 0 H SER A 30 11.058 0.560 4.749 1.00 0.00 H new ATOM 0 HA SER A 30 13.801 0.993 5.466 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.055 -1.186 4.616 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.568 -1.237 3.734 1.00 0.00 H new ATOM 0 HG SER A 30 13.687 -2.381 5.749 1.00 0.00 H new ATOM 526 N ILE A 31 12.900 1.211 2.299 1.00 0.00 N ATOM 527 CA ILE A 31 13.331 1.679 0.987 1.00 0.00 C ATOM 528 C ILE A 31 13.502 3.193 0.978 1.00 0.00 C ATOM 529 O ILE A 31 14.348 3.728 0.261 1.00 0.00 O ATOM 530 CB ILE A 31 12.324 1.264 -0.106 1.00 0.00 C ATOM 531 CG1 ILE A 31 12.773 1.753 -1.482 1.00 0.00 C ATOM 532 CG2 ILE A 31 10.946 1.811 0.218 1.00 0.00 C ATOM 533 CD1 ILE A 31 13.848 0.897 -2.107 1.00 0.00 C ATOM 0 H ILE A 31 11.924 0.918 2.343 1.00 0.00 H new ATOM 0 HA ILE A 31 14.293 1.214 0.773 1.00 0.00 H new ATOM 0 HB ILE A 31 12.280 0.175 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.910 1.781 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.140 2.775 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.244 1.512 -0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.614 1.416 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.989 2.899 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 31 14.117 1.304 -3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 31 14.727 0.889 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.478 -0.121 -2.229 1.00 0.00 H new ATOM 545 N LYS A 32 12.703 3.879 1.789 1.00 0.00 N ATOM 546 CA LYS A 32 12.782 5.331 1.881 1.00 0.00 C ATOM 547 C LYS A 32 13.948 5.747 2.771 1.00 0.00 C ATOM 548 O LYS A 32 14.463 6.860 2.658 1.00 0.00 O ATOM 549 CB LYS A 32 11.475 5.903 2.432 1.00 0.00 C ATOM 550 CG LYS A 32 11.465 7.420 2.525 1.00 0.00 C ATOM 551 CD LYS A 32 10.274 7.922 3.324 1.00 0.00 C ATOM 552 CE LYS A 32 10.386 7.539 4.790 1.00 0.00 C ATOM 553 NZ LYS A 32 9.353 6.543 5.185 1.00 0.00 N ATOM 0 H LYS A 32 11.996 3.454 2.389 1.00 0.00 H new ATOM 0 HA LYS A 32 12.946 5.729 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.651 5.581 1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.295 5.486 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.388 7.763 2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.438 7.847 1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.205 9.006 3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.355 7.509 2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.377 7.129 4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.284 8.432 5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.627 6.096 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.437 7.021 5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.272 5.815 4.446 1.00 0.00 H new ATOM 567 N LYS A 33 14.361 4.845 3.658 1.00 0.00 N ATOM 568 CA LYS A 33 15.466 5.116 4.566 1.00 0.00 C ATOM 569 C LYS A 33 16.804 5.032 3.839 1.00 0.00 C ATOM 570 O LYS A 33 17.699 5.843 4.079 1.00 0.00 O ATOM 571 CB LYS A 33 15.446 4.133 5.738 1.00 0.00 C ATOM 572 CG LYS A 33 16.569 4.355 6.738 1.00 0.00 C ATOM 573 CD LYS A 33 16.250 3.721 8.083 1.00 0.00 C ATOM 574 CE LYS A 33 15.103 4.436 8.778 1.00 0.00 C ATOM 575 NZ LYS A 33 14.171 3.481 9.437 1.00 0.00 N ATOM 0 H LYS A 33 13.945 3.920 3.765 1.00 0.00 H new ATOM 0 HA LYS A 33 15.345 6.129 4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 33 14.490 4.216 6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 33 15.512 3.117 5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.495 3.934 6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.735 5.424 6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.992 2.672 7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.135 3.748 8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.503 5.125 9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.555 5.035 8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.403 4.008 9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.770 2.839 8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.688 2.927 10.149 1.00 0.00 H new ATOM 885 N SER B 11 16.675 -2.353 -3.891 1.00 0.00 N ATOM 886 CA SER B 11 16.050 -2.704 -5.157 1.00 0.00 C ATOM 887 C SER B 11 14.860 -3.618 -4.901 1.00 0.00 C ATOM 888 O SER B 11 13.771 -3.414 -5.443 1.00 0.00 O ATOM 889 CB SER B 11 17.058 -3.392 -6.080 1.00 0.00 C ATOM 890 OG SER B 11 16.806 -3.075 -7.438 1.00 0.00 O ATOM 0 HA SER B 11 15.705 -1.793 -5.647 1.00 0.00 H new ATOM 0 HB2 SER B 11 18.069 -3.084 -5.813 1.00 0.00 H new ATOM 0 HB3 SER B 11 17.006 -4.472 -5.940 1.00 0.00 H new ATOM 0 HG SER B 11 17.465 -3.526 -8.007 1.00 0.00 H new ATOM 896 N HIS B 12 15.072 -4.619 -4.050 1.00 0.00 N ATOM 897 CA HIS B 12 14.012 -5.553 -3.704 1.00 0.00 C ATOM 898 C HIS B 12 12.912 -4.821 -2.928 1.00 0.00 C ATOM 899 O HIS B 12 11.729 -5.133 -3.063 1.00 0.00 O ATOM 900 CB HIS B 12 14.604 -6.752 -2.922 1.00 0.00 C ATOM 901 CG HIS B 12 13.956 -7.063 -1.602 1.00 0.00 C ATOM 902 ND1 HIS B 12 12.703 -7.627 -1.489 1.00 0.00 N ATOM 903 CD2 HIS B 12 14.403 -6.886 -0.338 1.00 0.00 C ATOM 904 CE1 HIS B 12 12.407 -7.783 -0.211 1.00 0.00 C ATOM 905 NE2 HIS B 12 13.421 -7.342 0.508 1.00 0.00 N ATOM 0 H HIS B 12 15.965 -4.801 -3.591 1.00 0.00 H new ATOM 0 HA HIS B 12 13.553 -5.957 -4.607 1.00 0.00 H new ATOM 0 HB2 HIS B 12 14.541 -7.639 -3.553 1.00 0.00 H new ATOM 0 HB3 HIS B 12 15.663 -6.560 -2.748 1.00 0.00 H new ATOM 0 HD2 HIS B 12 15.354 -6.465 -0.048 1.00 0.00 H new ATOM 0 HE1 HIS B 12 11.490 -8.201 0.179 1.00 0.00 H new ATOM 0 HE2 HIS B 12 13.468 -7.340 1.527 1.00 0.00 H new ATOM 914 N HIS B 13 13.314 -3.833 -2.128 1.00 0.00 N ATOM 915 CA HIS B 13 12.360 -3.046 -1.350 1.00 0.00 C ATOM 916 C HIS B 13 11.586 -2.085 -2.248 1.00 0.00 C ATOM 917 O HIS B 13 10.536 -1.576 -1.862 1.00 0.00 O ATOM 918 CB HIS B 13 13.072 -2.243 -0.261 1.00 0.00 C ATOM 919 CG HIS B 13 14.029 -3.038 0.566 1.00 0.00 C ATOM 920 ND1 HIS B 13 13.835 -4.364 0.889 1.00 0.00 N ATOM 921 CD2 HIS B 13 15.192 -2.675 1.148 1.00 0.00 C ATOM 922 CE1 HIS B 13 14.843 -4.783 1.637 1.00 0.00 C ATOM 923 NE2 HIS B 13 15.679 -3.776 1.808 1.00 0.00 N ATOM 0 H HIS B 13 14.289 -3.560 -2.003 1.00 0.00 H new ATOM 0 HA HIS B 13 11.665 -3.746 -0.886 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.612 -1.419 -0.728 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.323 -1.801 0.396 1.00 0.00 H new ATOM 0 HD1 HIS B 13 13.040 -4.933 0.597 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.654 -1.700 1.103 1.00 0.00 H new ATOM 0 HE1 HIS B 13 14.961 -5.778 2.039 1.00 0.00 H new ATOM 932 N ALA B 14 12.114 -1.830 -3.444 1.00 0.00 N ATOM 933 CA ALA B 14 11.467 -0.925 -4.383 1.00 0.00 C ATOM 934 C ALA B 14 10.326 -1.626 -5.102 1.00 0.00 C ATOM 935 O ALA B 14 9.264 -1.044 -5.321 1.00 0.00 O ATOM 936 CB ALA B 14 12.478 -0.387 -5.385 1.00 0.00 C ATOM 0 H ALA B 14 12.986 -2.238 -3.782 1.00 0.00 H new ATOM 0 HA ALA B 14 11.055 -0.086 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.978 0.288 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.263 0.153 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA B 14 12.918 -1.216 -5.938 1.00 0.00 H new ATOM 942 N LYS B 15 10.547 -2.885 -5.460 1.00 0.00 N ATOM 943 CA LYS B 15 9.526 -3.666 -6.141 1.00 0.00 C ATOM 944 C LYS B 15 8.476 -4.151 -5.146 1.00 0.00 C ATOM 945 O LYS B 15 7.330 -4.409 -5.513 1.00 0.00 O ATOM 946 CB LYS B 15 10.157 -4.858 -6.863 1.00 0.00 C ATOM 947 CG LYS B 15 9.587 -5.097 -8.252 1.00 0.00 C ATOM 948 CD LYS B 15 10.589 -5.806 -9.149 1.00 0.00 C ATOM 949 CE LYS B 15 10.025 -7.109 -9.692 1.00 0.00 C ATOM 950 NZ LYS B 15 10.741 -7.556 -10.920 1.00 0.00 N ATOM 0 H LYS B 15 11.420 -3.384 -5.290 1.00 0.00 H new ATOM 0 HA LYS B 15 9.041 -3.028 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS B 15 11.232 -4.697 -6.943 1.00 0.00 H new ATOM 0 HB3 LYS B 15 10.013 -5.755 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS B 15 8.678 -5.694 -8.176 1.00 0.00 H new ATOM 0 HG3 LYS B 15 9.306 -4.144 -8.700 1.00 0.00 H new ATOM 0 HD2 LYS B 15 10.863 -5.153 -9.978 1.00 0.00 H new ATOM 0 HD3 LYS B 15 11.501 -6.009 -8.588 1.00 0.00 H new ATOM 0 HE2 LYS B 15 10.098 -7.883 -8.928 1.00 0.00 H new ATOM 0 HE3 LYS B 15 8.966 -6.981 -9.916 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 10.326 -8.448 -11.259 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 10.650 -6.829 -11.659 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 11.747 -7.703 -10.701 1.00 0.00 H new ATOM 964 N GLU B 16 8.876 -4.266 -3.882 1.00 0.00 N ATOM 965 CA GLU B 16 7.971 -4.713 -2.830 1.00 0.00 C ATOM 966 C GLU B 16 7.080 -3.568 -2.359 1.00 0.00 C ATOM 967 O GLU B 16 5.900 -3.768 -2.070 1.00 0.00 O ATOM 968 CB GLU B 16 8.764 -5.277 -1.650 1.00 0.00 C ATOM 969 CG GLU B 16 8.821 -6.796 -1.627 1.00 0.00 C ATOM 970 CD GLU B 16 9.623 -7.368 -2.779 1.00 0.00 C ATOM 971 OE1 GLU B 16 9.894 -6.620 -3.742 1.00 0.00 O ATOM 972 OE2 GLU B 16 9.981 -8.563 -2.719 1.00 0.00 O ATOM 0 H GLU B 16 9.822 -4.055 -3.563 1.00 0.00 H new ATOM 0 HA GLU B 16 7.337 -5.499 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.780 -4.884 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.317 -4.924 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU B 16 9.260 -7.125 -0.685 1.00 0.00 H new ATOM 0 HG3 GLU B 16 7.807 -7.194 -1.662 1.00 0.00 H new ATOM 979 N ILE B 17 7.648 -2.367 -2.286 1.00 0.00 N ATOM 980 CA ILE B 17 6.896 -1.197 -1.853 1.00 0.00 C ATOM 981 C ILE B 17 5.977 -0.705 -2.966 1.00 0.00 C ATOM 982 O ILE B 17 4.873 -0.225 -2.708 1.00 0.00 O ATOM 983 CB ILE B 17 7.849 -0.065 -1.411 1.00 0.00 C ATOM 984 CG1 ILE B 17 7.073 1.116 -0.822 1.00 0.00 C ATOM 985 CG2 ILE B 17 8.723 0.383 -2.573 1.00 0.00 C ATOM 986 CD1 ILE B 17 6.307 1.935 -1.843 1.00 0.00 C ATOM 0 H ILE B 17 8.623 -2.181 -2.521 1.00 0.00 H new ATOM 0 HA ILE B 17 6.284 -1.488 -0.999 1.00 0.00 H new ATOM 0 HB ILE B 17 8.497 -0.457 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE B 17 6.372 0.739 -0.077 1.00 0.00 H new ATOM 0 HG13 ILE B 17 7.772 1.770 -0.300 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.388 1.181 -2.242 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.316 -0.460 -2.928 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.092 0.749 -3.383 1.00 0.00 H new ATOM 0 HD11 ILE B 17 5.787 2.750 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE B 17 7.002 2.346 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE B 17 5.581 1.299 -2.349 1.00 0.00 H new ATOM 998 N GLU B 18 6.433 -0.832 -4.208 1.00 0.00 N ATOM 999 CA GLU B 18 5.641 -0.401 -5.353 1.00 0.00 C ATOM 1000 C GLU B 18 4.564 -1.427 -5.686 1.00 0.00 C ATOM 1001 O GLU B 18 3.514 -1.087 -6.231 1.00 0.00 O ATOM 1002 CB GLU B 18 6.544 -0.177 -6.568 1.00 0.00 C ATOM 1003 CG GLU B 18 5.788 0.234 -7.820 1.00 0.00 C ATOM 1004 CD GLU B 18 6.560 -0.059 -9.090 1.00 0.00 C ATOM 1005 OE1 GLU B 18 7.647 0.530 -9.274 1.00 0.00 O ATOM 1006 OE2 GLU B 18 6.080 -0.879 -9.902 1.00 0.00 O ATOM 0 H GLU B 18 7.342 -1.228 -4.446 1.00 0.00 H new ATOM 0 HA GLU B 18 5.153 0.539 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.278 0.592 -6.328 1.00 0.00 H new ATOM 0 HB3 GLU B 18 7.098 -1.093 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU B 18 4.833 -0.290 -7.851 1.00 0.00 H new ATOM 0 HG3 GLU B 18 5.566 1.300 -7.772 1.00 0.00 H new ATOM 1013 N ARG B 19 4.833 -2.687 -5.357 1.00 0.00 N ATOM 1014 CA ARG B 19 3.888 -3.762 -5.625 1.00 0.00 C ATOM 1015 C ARG B 19 2.788 -3.811 -4.569 1.00 0.00 C ATOM 1016 O ARG B 19 1.637 -4.130 -4.876 1.00 0.00 O ATOM 1017 CB ARG B 19 4.616 -5.106 -5.680 1.00 0.00 C ATOM 1018 CG ARG B 19 3.693 -6.284 -5.949 1.00 0.00 C ATOM 1019 CD ARG B 19 4.216 -7.560 -5.308 1.00 0.00 C ATOM 1020 NE ARG B 19 3.580 -8.751 -5.863 1.00 0.00 N ATOM 1021 CZ ARG B 19 3.935 -9.309 -7.014 1.00 0.00 C ATOM 1022 NH1 ARG B 19 4.920 -8.784 -7.731 1.00 0.00 N ATOM 1023 NH2 ARG B 19 3.308 -10.392 -7.451 1.00 0.00 N ATOM 0 H ARG B 19 5.697 -2.987 -4.905 1.00 0.00 H new ATOM 0 HA ARG B 19 3.424 -3.564 -6.591 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.378 -5.066 -6.458 1.00 0.00 H new ATOM 0 HB3 ARG B 19 5.134 -5.269 -4.735 1.00 0.00 H new ATOM 0 HG2 ARG B 19 2.698 -6.063 -5.563 1.00 0.00 H new ATOM 0 HG3 ARG B 19 3.593 -6.431 -7.024 1.00 0.00 H new ATOM 0 HD2 ARG B 19 5.294 -7.623 -5.454 1.00 0.00 H new ATOM 0 HD3 ARG B 19 4.041 -7.523 -4.233 1.00 0.00 H new ATOM 0 HE ARG B 19 2.819 -9.179 -5.336 1.00 0.00 H new ATOM 0 HH11 ARG B 19 5.405 -7.951 -7.398 1.00 0.00 H new ATOM 0 HH12 ARG B 19 5.192 -9.213 -8.615 1.00 0.00 H new ATOM 0 HH21 ARG B 19 2.550 -10.799 -6.902 1.00 0.00 H new ATOM 0 HH22 ARG B 19 3.583 -10.818 -8.336 1.00 0.00 H new ATOM 1037 N LEU B 20 3.136 -3.490 -3.325 1.00 0.00 N ATOM 1038 CA LEU B 20 2.165 -3.506 -2.249 1.00 0.00 C ATOM 1039 C LEU B 20 1.319 -2.241 -2.289 1.00 0.00 C ATOM 1040 O LEU B 20 0.166 -2.243 -1.861 1.00 0.00 O ATOM 1041 CB LEU B 20 2.869 -3.653 -0.900 1.00 0.00 C ATOM 1042 CG LEU B 20 3.598 -4.982 -0.691 1.00 0.00 C ATOM 1043 CD1 LEU B 20 4.441 -4.934 0.574 1.00 0.00 C ATOM 1044 CD2 LEU B 20 2.603 -6.130 -0.626 1.00 0.00 C ATOM 0 H LEU B 20 4.078 -3.218 -3.045 1.00 0.00 H new ATOM 0 HA LEU B 20 1.505 -4.363 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.588 -2.841 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.131 -3.532 -0.107 1.00 0.00 H new ATOM 0 HG LEU B 20 4.261 -5.149 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU B 20 4.952 -5.887 0.707 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.178 -4.136 0.490 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.797 -4.745 1.433 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.139 -7.068 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU B 20 1.915 -5.969 0.204 1.00 0.00 H new ATOM 0 HD23 LEU B 20 2.041 -6.177 -1.559 1.00 0.00 H new ATOM 1056 N GLN B 21 1.891 -1.166 -2.830 1.00 0.00 N ATOM 1057 CA GLN B 21 1.171 0.096 -2.951 1.00 0.00 C ATOM 1058 C GLN B 21 0.151 -0.004 -4.077 1.00 0.00 C ATOM 1059 O GLN B 21 -0.967 0.499 -3.965 1.00 0.00 O ATOM 1060 CB GLN B 21 2.141 1.255 -3.221 1.00 0.00 C ATOM 1061 CG GLN B 21 1.455 2.552 -3.620 1.00 0.00 C ATOM 1062 CD GLN B 21 1.776 3.694 -2.677 1.00 0.00 C ATOM 1063 OE1 GLN B 21 2.506 4.620 -3.030 1.00 0.00 O ATOM 1064 NE2 GLN B 21 1.231 3.635 -1.467 1.00 0.00 N ATOM 0 H GLN B 21 2.846 -1.146 -3.189 1.00 0.00 H new ATOM 0 HA GLN B 21 0.656 0.295 -2.011 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.739 1.432 -2.327 1.00 0.00 H new ATOM 0 HB3 GLN B 21 2.831 0.962 -4.012 1.00 0.00 H new ATOM 0 HG2 GLN B 21 1.759 2.824 -4.631 1.00 0.00 H new ATOM 0 HG3 GLN B 21 0.376 2.396 -3.643 1.00 0.00 H new ATOM 0 HE21 GLN B 21 0.632 2.849 -1.215 1.00 0.00 H new ATOM 0 HE22 GLN B 21 1.412 4.376 -0.789 1.00 0.00 H new ATOM 1073 N LYS B 22 0.543 -0.671 -5.160 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.339 -0.853 -6.304 1.00 0.00 C ATOM 1075 C LYS B 22 -1.573 -1.647 -5.893 1.00 0.00 C ATOM 1076 O LYS B 22 -2.701 -1.275 -6.219 1.00 0.00 O ATOM 1077 CB LYS B 22 0.397 -1.574 -7.435 1.00 0.00 C ATOM 1078 CG LYS B 22 -0.483 -1.884 -8.635 1.00 0.00 C ATOM 1079 CD LYS B 22 0.007 -3.117 -9.380 1.00 0.00 C ATOM 1080 CE LYS B 22 -0.355 -4.394 -8.640 1.00 0.00 C ATOM 1081 NZ LYS B 22 0.275 -5.593 -9.261 1.00 0.00 N ATOM 0 H LYS B 22 1.465 -1.093 -5.267 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.652 0.128 -6.662 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.237 -0.960 -7.760 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.813 -2.505 -7.050 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -1.510 -2.041 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.493 -1.029 -9.311 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -0.429 -3.138 -10.379 1.00 0.00 H new ATOM 0 HD3 LYS B 22 1.088 -3.062 -9.506 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -0.037 -4.314 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -1.438 -4.515 -8.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 0.004 -6.443 -8.727 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -0.048 -5.684 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 1.310 -5.489 -9.244 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.351 -2.740 -5.168 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.449 -3.580 -4.705 1.00 0.00 C ATOM 1097 C GLU B 23 -3.406 -2.776 -3.832 1.00 0.00 C ATOM 1098 O GLU B 23 -4.617 -2.767 -4.063 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.909 -4.780 -3.926 1.00 0.00 C ATOM 1100 CG GLU B 23 -2.695 -6.060 -4.163 1.00 0.00 C ATOM 1101 CD GLU B 23 -1.875 -7.125 -4.865 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -0.832 -6.777 -5.457 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -2.275 -8.307 -4.822 1.00 0.00 O ATOM 0 H GLU B 23 -0.424 -3.063 -4.890 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.994 -3.943 -5.576 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.868 -4.945 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.921 -4.547 -2.861 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -3.047 -6.448 -3.207 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -3.579 -5.834 -4.760 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.857 -2.094 -2.831 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.673 -1.283 -1.937 1.00 0.00 C ATOM 1112 C ILE B 24 -4.315 -0.123 -2.688 1.00 0.00 C ATOM 1113 O ILE B 24 -5.301 0.454 -2.230 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.858 -0.740 -0.747 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -3.755 0.104 0.171 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.647 0.047 -1.218 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.864 1.566 -0.221 1.00 0.00 C ATOM 0 H ILE B 24 -1.859 -2.087 -2.621 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.454 -1.935 -1.546 1.00 0.00 H new ATOM 0 HB ILE B 24 -2.484 -1.588 -0.173 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -4.754 -0.331 0.181 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -3.371 0.042 1.189 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -1.094 0.416 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.002 -0.600 -1.813 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -1.975 0.890 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -4.516 2.084 0.482 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -2.874 2.023 -0.202 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -4.280 1.643 -1.226 1.00 0.00 H new ATOM 1129 N GLU B 25 -3.763 0.205 -3.856 1.00 0.00 N ATOM 1130 CA GLU B 25 -4.301 1.281 -4.674 1.00 0.00 C ATOM 1131 C GLU B 25 -5.632 0.853 -5.278 1.00 0.00 C ATOM 1132 O GLU B 25 -6.578 1.639 -5.351 1.00 0.00 O ATOM 1133 CB GLU B 25 -3.316 1.655 -5.781 1.00 0.00 C ATOM 1134 CG GLU B 25 -3.535 3.047 -6.348 1.00 0.00 C ATOM 1135 CD GLU B 25 -2.574 3.376 -7.473 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -2.013 2.434 -8.070 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -2.382 4.577 -7.757 1.00 0.00 O ATOM 0 H GLU B 25 -2.946 -0.260 -4.252 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.459 2.156 -4.044 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -2.301 1.587 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.396 0.927 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.559 3.129 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -3.421 3.782 -5.551 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.700 -0.407 -5.696 1.00 0.00 N ATOM 1145 CA ARG B 26 -6.918 -0.954 -6.280 1.00 0.00 C ATOM 1146 C ARG B 26 -8.025 -1.013 -5.236 1.00 0.00 C ATOM 1147 O ARG B 26 -9.147 -0.558 -5.473 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.656 -2.352 -6.846 1.00 0.00 C ATOM 1149 CG ARG B 26 -6.112 -2.342 -8.265 1.00 0.00 C ATOM 1150 CD ARG B 26 -5.426 -3.656 -8.606 1.00 0.00 C ATOM 1151 NE ARG B 26 -6.327 -4.582 -9.288 1.00 0.00 N ATOM 1152 CZ ARG B 26 -6.070 -5.876 -9.447 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -4.945 -6.393 -8.974 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -6.938 -6.654 -10.078 1.00 0.00 N ATOM 0 H ARG B 26 -4.925 -1.068 -5.641 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.235 -0.300 -7.092 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.949 -2.870 -6.198 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -7.584 -2.923 -6.826 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -6.926 -2.162 -8.967 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -5.405 -1.520 -8.379 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -4.561 -3.460 -9.239 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -5.054 -4.119 -7.692 1.00 0.00 H new ATOM 0 HE ARG B 26 -7.202 -4.215 -9.663 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -4.275 -5.797 -8.487 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -4.749 -7.386 -9.097 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -7.805 -6.260 -10.443 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -6.739 -7.647 -10.199 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.699 -1.561 -4.067 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.663 -1.661 -2.983 1.00 0.00 C ATOM 1170 C HIS B 27 -9.024 -0.273 -2.470 1.00 0.00 C ATOM 1171 O HIS B 27 -10.092 -0.073 -1.896 1.00 0.00 O ATOM 1172 CB HIS B 27 -8.099 -2.514 -1.846 1.00 0.00 C ATOM 1173 CG HIS B 27 -8.633 -3.913 -1.826 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -9.977 -4.205 -1.724 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -7.994 -5.106 -1.894 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -10.142 -5.517 -1.729 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -8.956 -6.084 -1.833 1.00 0.00 N ATOM 0 H HIS B 27 -6.777 -1.940 -3.851 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.565 -2.140 -3.363 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -7.013 -2.549 -1.933 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.327 -2.033 -0.895 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -6.928 -5.259 -1.980 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -11.087 -6.036 -1.660 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -8.781 -7.088 -1.863 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.121 0.684 -2.684 1.00 0.00 N ATOM 1187 CA LYS B 28 -8.341 2.056 -2.246 1.00 0.00 C ATOM 1188 C LYS B 28 -9.285 2.788 -3.190 1.00 0.00 C ATOM 1189 O LYS B 28 -9.949 3.743 -2.796 1.00 0.00 O ATOM 1190 CB LYS B 28 -7.010 2.804 -2.152 1.00 0.00 C ATOM 1191 CG LYS B 28 -7.150 4.237 -1.663 1.00 0.00 C ATOM 1192 CD LYS B 28 -6.463 5.215 -2.601 1.00 0.00 C ATOM 1193 CE LYS B 28 -4.969 4.947 -2.690 1.00 0.00 C ATOM 1194 NZ LYS B 28 -4.169 6.103 -2.199 1.00 0.00 N ATOM 0 H LYS B 28 -7.231 0.531 -3.158 1.00 0.00 H new ATOM 0 HA LYS B 28 -8.802 2.024 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -6.345 2.263 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.535 2.809 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -8.206 4.492 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.721 4.326 -0.665 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -6.907 5.141 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.631 6.234 -2.252 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -4.723 4.061 -2.105 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -4.699 4.732 -3.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -3.156 5.882 -2.276 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -4.384 6.943 -2.773 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -4.407 6.293 -1.205 1.00 0.00 H new ATOM 1208 N GLN B 29 -9.344 2.333 -4.435 1.00 0.00 N ATOM 1209 CA GLN B 29 -10.216 2.950 -5.424 1.00 0.00 C ATOM 1210 C GLN B 29 -11.656 2.493 -5.226 1.00 0.00 C ATOM 1211 O GLN B 29 -12.592 3.277 -5.381 1.00 0.00 O ATOM 1212 CB GLN B 29 -9.744 2.608 -6.840 1.00 0.00 C ATOM 1213 CG GLN B 29 -10.586 3.248 -7.931 1.00 0.00 C ATOM 1214 CD GLN B 29 -10.270 2.696 -9.308 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -9.925 3.443 -10.224 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -10.390 1.382 -9.461 1.00 0.00 N ATOM 0 H GLN B 29 -8.801 1.543 -4.782 1.00 0.00 H new ATOM 0 HA GLN B 29 -10.173 4.031 -5.292 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -8.709 2.928 -6.956 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -9.759 1.526 -6.968 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -11.642 3.087 -7.712 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -10.420 4.325 -7.928 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -10.679 0.801 -8.674 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -10.193 0.954 -10.366 1.00 0.00 H new ATOM 1225 N SER B 30 -11.824 1.223 -4.876 1.00 0.00 N ATOM 1226 CA SER B 30 -13.152 0.668 -4.649 1.00 0.00 C ATOM 1227 C SER B 30 -13.735 1.178 -3.333 1.00 0.00 C ATOM 1228 O SER B 30 -14.912 1.533 -3.257 1.00 0.00 O ATOM 1229 CB SER B 30 -13.095 -0.861 -4.638 1.00 0.00 C ATOM 1230 OG SER B 30 -13.739 -1.403 -5.778 1.00 0.00 O ATOM 0 H SER B 30 -11.060 0.561 -4.744 1.00 0.00 H new ATOM 0 HA SER B 30 -13.799 0.993 -5.464 1.00 0.00 H new ATOM 0 HB2 SER B 30 -12.056 -1.189 -4.613 1.00 0.00 H new ATOM 0 HB3 SER B 30 -13.571 -1.239 -3.733 1.00 0.00 H new ATOM 0 HG SER B 30 -13.688 -2.381 -5.749 1.00 0.00 H new ATOM 1236 N ILE B 31 -12.900 1.213 -2.298 1.00 0.00 N ATOM 1237 CA ILE B 31 -13.330 1.679 -0.984 1.00 0.00 C ATOM 1238 C ILE B 31 -13.501 3.194 -0.975 1.00 0.00 C ATOM 1239 O ILE B 31 -14.348 3.728 -0.258 1.00 0.00 O ATOM 1240 CB ILE B 31 -12.323 1.265 0.107 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -12.770 1.754 1.483 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -10.945 1.812 -0.217 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -13.846 0.898 2.108 1.00 0.00 C ATOM 0 H ILE B 31 -11.923 0.924 -2.344 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.291 1.212 -0.769 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.279 0.176 0.130 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -11.907 1.781 2.148 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -13.136 2.777 1.395 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -10.243 1.513 0.561 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -10.613 1.417 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -10.988 2.900 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -14.114 1.305 3.083 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -14.725 0.891 1.464 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.476 -0.120 2.229 1.00 0.00 H new