USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 396 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 18 ASN : amide:sc= -1.99! C(o=-2!,f=-2.8!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.41) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -5.95! C(o=-6!,f=-9!) USER MOD Single : A 35 SER OG : rot -76:sc= 0.461 USER MOD Single : A 36 LYS NZ :NH3+ 131:sc= -0.0517 (180deg=-0.535) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot -60:sc= -7.02! USER MOD Single : A 55 GLN : amide:sc= -0.283 K(o=-0.28,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 201 N ASP A 13 -3.019 -3.804 -6.031 1.00 0.00 N ATOM 202 CA ASP A 13 -3.168 -2.328 -6.170 1.00 0.00 C ATOM 203 C ASP A 13 -1.823 -1.695 -6.522 1.00 0.00 C ATOM 204 O ASP A 13 -0.778 -2.278 -6.314 1.00 0.00 O ATOM 205 CB ASP A 13 -3.645 -1.848 -4.800 1.00 0.00 C ATOM 206 CG ASP A 13 -4.810 -0.873 -4.976 1.00 0.00 C ATOM 207 OD1 ASP A 13 -5.794 -1.261 -5.584 1.00 0.00 O ATOM 208 OD2 ASP A 13 -4.697 0.246 -4.502 1.00 0.00 O ATOM 0 HA ASP A 13 -3.865 -2.055 -6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.957 -2.698 -4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.827 -1.361 -4.269 1.00 0.00 H new ATOM 213 N ARG A 14 -1.840 -0.510 -7.061 1.00 0.00 N ATOM 214 CA ARG A 14 -0.562 0.151 -7.435 1.00 0.00 C ATOM 215 C ARG A 14 0.219 0.546 -6.179 1.00 0.00 C ATOM 216 O ARG A 14 1.433 0.491 -6.148 1.00 0.00 O ATOM 217 CB ARG A 14 -0.976 1.394 -8.224 1.00 0.00 C ATOM 218 CG ARG A 14 -1.963 0.997 -9.326 1.00 0.00 C ATOM 219 CD ARG A 14 -1.479 -0.285 -10.013 1.00 0.00 C ATOM 220 NE ARG A 14 -2.038 -0.216 -11.392 1.00 0.00 N ATOM 221 CZ ARG A 14 -1.647 0.723 -12.208 1.00 0.00 C ATOM 222 NH1 ARG A 14 -0.406 1.127 -12.191 1.00 0.00 N ATOM 223 NH2 ARG A 14 -2.498 1.258 -13.043 1.00 0.00 N ATOM 0 H ARG A 14 -2.683 0.029 -7.259 1.00 0.00 H new ATOM 0 HA ARG A 14 0.087 -0.504 -8.017 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.434 2.125 -7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.098 1.869 -8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.955 0.842 -8.901 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.051 1.802 -10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.390 -0.337 -10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.832 -1.172 -9.488 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.727 -0.903 -11.698 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.258 0.708 -11.540 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.100 1.861 -12.829 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.467 0.941 -13.056 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.193 1.993 -13.682 1.00 0.00 H new ATOM 237 N ILE A 15 -0.467 0.942 -5.142 1.00 0.00 N ATOM 238 CA ILE A 15 0.238 1.337 -3.891 1.00 0.00 C ATOM 239 C ILE A 15 0.831 0.106 -3.206 1.00 0.00 C ATOM 240 O ILE A 15 1.886 0.164 -2.611 1.00 0.00 O ATOM 241 CB ILE A 15 -0.837 1.978 -3.013 1.00 0.00 C ATOM 242 CG1 ILE A 15 -1.088 3.419 -3.476 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.364 1.989 -1.558 1.00 0.00 C ATOM 244 CD1 ILE A 15 -1.186 3.461 -5.003 1.00 0.00 C ATOM 0 H ILE A 15 -1.484 1.009 -5.107 1.00 0.00 H new ATOM 0 HA ILE A 15 1.065 2.020 -4.082 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.760 1.404 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.008 3.799 -3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.280 4.066 -3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.129 2.446 -0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.185 0.966 -1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.559 2.563 -1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.364 4.486 -5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.254 3.099 -5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.010 2.827 -5.332 1.00 0.00 H new ATOM 256 N ASP A 16 0.159 -1.007 -3.281 1.00 0.00 N ATOM 257 CA ASP A 16 0.683 -2.236 -2.625 1.00 0.00 C ATOM 258 C ASP A 16 2.027 -2.642 -3.239 1.00 0.00 C ATOM 259 O ASP A 16 3.053 -2.590 -2.592 1.00 0.00 O ATOM 260 CB ASP A 16 -0.374 -3.308 -2.894 1.00 0.00 C ATOM 261 CG ASP A 16 -1.641 -2.988 -2.099 1.00 0.00 C ATOM 262 OD1 ASP A 16 -1.645 -1.981 -1.411 1.00 0.00 O ATOM 263 OD2 ASP A 16 -2.586 -3.754 -2.192 1.00 0.00 O ATOM 0 H ASP A 16 -0.730 -1.119 -3.768 1.00 0.00 H new ATOM 0 HA ASP A 16 0.857 -2.089 -1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.601 -3.350 -3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.008 -4.289 -2.611 1.00 0.00 H new ATOM 268 N ARG A 17 2.029 -3.052 -4.478 1.00 0.00 N ATOM 269 CA ARG A 17 3.312 -3.468 -5.117 1.00 0.00 C ATOM 270 C ARG A 17 4.372 -2.393 -4.919 1.00 0.00 C ATOM 271 O ARG A 17 5.498 -2.677 -4.564 1.00 0.00 O ATOM 272 CB ARG A 17 2.986 -3.639 -6.600 1.00 0.00 C ATOM 273 CG ARG A 17 2.467 -2.321 -7.170 1.00 0.00 C ATOM 274 CD ARG A 17 1.866 -2.570 -8.553 1.00 0.00 C ATOM 275 NE ARG A 17 2.943 -2.200 -9.512 1.00 0.00 N ATOM 276 CZ ARG A 17 3.437 -3.100 -10.318 1.00 0.00 C ATOM 277 NH1 ARG A 17 2.639 -3.879 -10.995 1.00 0.00 N ATOM 278 NH2 ARG A 17 4.731 -3.222 -10.445 1.00 0.00 N ATOM 0 H ARG A 17 1.203 -3.117 -5.073 1.00 0.00 H new ATOM 0 HA ARG A 17 3.708 -4.386 -4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.876 -3.955 -7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.238 -4.422 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.715 -1.895 -6.506 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.279 -1.597 -7.239 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.571 -3.612 -8.674 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.973 -1.966 -8.710 1.00 0.00 H new ATOM 0 HE ARG A 17 3.295 -1.243 -9.539 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.628 -3.785 -10.895 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.026 -4.582 -11.625 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.355 -2.614 -9.914 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.118 -3.925 -11.075 1.00 0.00 H new ATOM 292 N ASN A 18 4.019 -1.164 -5.123 1.00 0.00 N ATOM 293 CA ASN A 18 5.007 -0.071 -4.922 1.00 0.00 C ATOM 294 C ASN A 18 5.373 0.011 -3.447 1.00 0.00 C ATOM 295 O ASN A 18 6.513 0.230 -3.089 1.00 0.00 O ATOM 296 CB ASN A 18 4.294 1.202 -5.378 1.00 0.00 C ATOM 297 CG ASN A 18 4.105 1.164 -6.895 1.00 0.00 C ATOM 298 OD1 ASN A 18 4.843 0.498 -7.595 1.00 0.00 O ATOM 299 ND2 ASN A 18 3.140 1.854 -7.438 1.00 0.00 N ATOM 0 H ASN A 18 3.090 -0.864 -5.420 1.00 0.00 H new ATOM 0 HA ASN A 18 5.931 -0.228 -5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.327 1.288 -4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.876 2.079 -5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.005 1.834 -8.449 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.520 2.413 -6.852 1.00 0.00 H new ATOM 306 N ILE A 19 4.420 -0.198 -2.584 1.00 0.00 N ATOM 307 CA ILE A 19 4.719 -0.171 -1.131 1.00 0.00 C ATOM 308 C ILE A 19 5.623 -1.353 -0.781 1.00 0.00 C ATOM 309 O ILE A 19 6.488 -1.258 0.066 1.00 0.00 O ATOM 310 CB ILE A 19 3.354 -0.299 -0.444 1.00 0.00 C ATOM 311 CG1 ILE A 19 2.749 1.095 -0.253 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.518 -0.971 0.920 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.442 0.981 0.536 1.00 0.00 C ATOM 0 H ILE A 19 3.447 -0.386 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 19 5.237 0.735 -0.818 1.00 0.00 H new ATOM 0 HB ILE A 19 2.695 -0.905 -1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.451 1.738 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.562 1.558 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.544 -1.058 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.948 -1.964 0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.179 -0.370 1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.011 1.973 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.740 0.353 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.643 0.536 1.511 1.00 0.00 H new ATOM 325 N LEU A 20 5.443 -2.464 -1.447 1.00 0.00 N ATOM 326 CA LEU A 20 6.308 -3.642 -1.173 1.00 0.00 C ATOM 327 C LEU A 20 7.730 -3.353 -1.651 1.00 0.00 C ATOM 328 O LEU A 20 8.695 -3.637 -0.970 1.00 0.00 O ATOM 329 CB LEU A 20 5.693 -4.783 -1.982 1.00 0.00 C ATOM 330 CG LEU A 20 4.641 -5.501 -1.138 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.845 -6.459 -2.026 1.00 0.00 C ATOM 332 CD2 LEU A 20 5.333 -6.293 -0.026 1.00 0.00 C ATOM 0 H LEU A 20 4.734 -2.603 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 20 6.363 -3.885 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.239 -4.393 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.469 -5.485 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 20 3.966 -4.768 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.094 -6.972 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.353 -5.896 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.520 -7.192 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.583 -6.805 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.007 -7.027 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.902 -5.611 0.606 1.00 0.00 H new ATOM 344 N ASN A 21 7.867 -2.770 -2.814 1.00 0.00 N ATOM 345 CA ASN A 21 9.225 -2.443 -3.325 1.00 0.00 C ATOM 346 C ASN A 21 9.882 -1.416 -2.406 1.00 0.00 C ATOM 347 O ASN A 21 11.085 -1.396 -2.236 1.00 0.00 O ATOM 348 CB ASN A 21 8.994 -1.850 -4.715 1.00 0.00 C ATOM 349 CG ASN A 21 10.312 -1.295 -5.260 1.00 0.00 C ATOM 350 OD1 ASN A 21 11.198 -2.045 -5.620 1.00 0.00 O ATOM 351 ND2 ASN A 21 10.480 -0.003 -5.336 1.00 0.00 N ATOM 0 H ASN A 21 7.096 -2.508 -3.429 1.00 0.00 H new ATOM 0 HA ASN A 21 9.881 -3.313 -3.363 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.603 -2.614 -5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.247 -1.058 -4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.355 0.377 -5.698 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.737 0.627 -5.034 1.00 0.00 H new ATOM 358 N GLU A 22 9.095 -0.569 -1.800 1.00 0.00 N ATOM 359 CA GLU A 22 9.666 0.449 -0.878 1.00 0.00 C ATOM 360 C GLU A 22 10.028 -0.203 0.452 1.00 0.00 C ATOM 361 O GLU A 22 10.959 0.200 1.120 1.00 0.00 O ATOM 362 CB GLU A 22 8.553 1.481 -0.689 1.00 0.00 C ATOM 363 CG GLU A 22 8.431 2.335 -1.952 1.00 0.00 C ATOM 364 CD GLU A 22 9.337 3.561 -1.830 1.00 0.00 C ATOM 365 OE1 GLU A 22 9.908 3.747 -0.768 1.00 0.00 O ATOM 366 OE2 GLU A 22 9.445 4.293 -2.799 1.00 0.00 O ATOM 0 H GLU A 22 8.081 -0.539 -1.905 1.00 0.00 H new ATOM 0 HA GLU A 22 10.576 0.904 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.608 0.979 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.771 2.114 0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.710 1.749 -2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.396 2.647 -2.094 1.00 0.00 H new ATOM 373 N LEU A 23 9.311 -1.222 0.835 1.00 0.00 N ATOM 374 CA LEU A 23 9.631 -1.912 2.110 1.00 0.00 C ATOM 375 C LEU A 23 10.872 -2.780 1.926 1.00 0.00 C ATOM 376 O LEU A 23 11.653 -2.970 2.838 1.00 0.00 O ATOM 377 CB LEU A 23 8.407 -2.772 2.408 1.00 0.00 C ATOM 378 CG LEU A 23 7.517 -2.048 3.413 1.00 0.00 C ATOM 379 CD1 LEU A 23 8.334 -1.713 4.661 1.00 0.00 C ATOM 380 CD2 LEU A 23 6.990 -0.755 2.788 1.00 0.00 C ATOM 0 H LEU A 23 8.519 -1.605 0.319 1.00 0.00 H new ATOM 0 HA LEU A 23 9.843 -1.219 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.854 -2.968 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.715 -3.738 2.807 1.00 0.00 H new ATOM 0 HG LEU A 23 6.678 -2.688 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.701 -1.195 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.713 -2.633 5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.171 -1.071 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.354 -0.237 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.829 -0.114 2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.411 -0.992 1.895 1.00 0.00 H new ATOM 392 N GLN A 24 11.072 -3.289 0.743 1.00 0.00 N ATOM 393 CA GLN A 24 12.276 -4.123 0.484 1.00 0.00 C ATOM 394 C GLN A 24 13.491 -3.221 0.268 1.00 0.00 C ATOM 395 O GLN A 24 14.594 -3.540 0.667 1.00 0.00 O ATOM 396 CB GLN A 24 11.953 -4.902 -0.789 1.00 0.00 C ATOM 397 CG GLN A 24 11.853 -6.394 -0.463 1.00 0.00 C ATOM 398 CD GLN A 24 13.168 -6.869 0.154 1.00 0.00 C ATOM 399 OE1 GLN A 24 13.223 -7.189 1.325 1.00 0.00 O ATOM 400 NE2 GLN A 24 14.239 -6.929 -0.589 1.00 0.00 N ATOM 0 H GLN A 24 10.452 -3.163 -0.057 1.00 0.00 H new ATOM 0 HA GLN A 24 12.511 -4.788 1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.015 -4.549 -1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.727 -4.734 -1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.029 -6.572 0.228 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.638 -6.962 -1.368 1.00 0.00 H new ATOM 0 HE21 GLN A 24 14.193 -6.661 -1.572 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.122 -7.244 -0.187 1.00 0.00 H new ATOM 409 N LYS A 25 13.295 -2.084 -0.350 1.00 0.00 N ATOM 410 CA LYS A 25 14.439 -1.153 -0.574 1.00 0.00 C ATOM 411 C LYS A 25 14.792 -0.447 0.726 1.00 0.00 C ATOM 412 O LYS A 25 15.948 -0.266 1.055 1.00 0.00 O ATOM 413 CB LYS A 25 13.937 -0.153 -1.624 1.00 0.00 C ATOM 414 CG LYS A 25 13.165 0.980 -0.940 1.00 0.00 C ATOM 415 CD LYS A 25 12.782 2.037 -1.979 1.00 0.00 C ATOM 416 CE LYS A 25 12.838 3.426 -1.340 1.00 0.00 C ATOM 417 NZ LYS A 25 13.932 4.137 -2.060 1.00 0.00 N ATOM 0 H LYS A 25 12.396 -1.762 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 25 15.340 -1.667 -0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.780 0.255 -2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.294 -0.660 -2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.270 0.586 -0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.776 1.429 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.462 1.989 -2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.780 1.841 -2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.888 3.949 -1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.045 3.361 -0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.032 5.099 -1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.825 3.619 -1.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.704 4.190 -3.073 1.00 0.00 H new ATOM 431 N ASP A 26 13.807 -0.058 1.478 1.00 0.00 N ATOM 432 CA ASP A 26 14.087 0.620 2.767 1.00 0.00 C ATOM 433 C ASP A 26 13.167 0.071 3.860 1.00 0.00 C ATOM 434 O ASP A 26 12.340 0.777 4.402 1.00 0.00 O ATOM 435 CB ASP A 26 13.793 2.099 2.512 1.00 0.00 C ATOM 436 CG ASP A 26 15.050 2.924 2.788 1.00 0.00 C ATOM 437 OD1 ASP A 26 16.105 2.537 2.312 1.00 0.00 O ATOM 438 OD2 ASP A 26 14.937 3.929 3.471 1.00 0.00 O ATOM 0 H ASP A 26 12.819 -0.180 1.256 1.00 0.00 H new ATOM 0 HA ASP A 26 15.112 0.462 3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.469 2.244 1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.977 2.434 3.153 1.00 0.00 H new ATOM 443 N GLY A 27 13.300 -1.186 4.182 1.00 0.00 N ATOM 444 CA GLY A 27 12.430 -1.782 5.234 1.00 0.00 C ATOM 445 C GLY A 27 12.550 -0.963 6.520 1.00 0.00 C ATOM 446 O GLY A 27 13.032 0.152 6.514 1.00 0.00 O ATOM 0 H GLY A 27 13.974 -1.826 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.394 -1.799 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.722 -2.816 5.420 1.00 0.00 H new ATOM 450 N ARG A 28 12.117 -1.507 7.623 1.00 0.00 N ATOM 451 CA ARG A 28 12.209 -0.758 8.906 1.00 0.00 C ATOM 452 C ARG A 28 11.659 0.660 8.733 1.00 0.00 C ATOM 453 O ARG A 28 12.003 1.565 9.467 1.00 0.00 O ATOM 454 CB ARG A 28 13.702 -0.717 9.228 1.00 0.00 C ATOM 455 CG ARG A 28 14.315 -2.101 8.994 1.00 0.00 C ATOM 456 CD ARG A 28 15.251 -2.048 7.783 1.00 0.00 C ATOM 457 NE ARG A 28 15.533 -3.472 7.457 1.00 0.00 N ATOM 458 CZ ARG A 28 15.193 -3.955 6.292 1.00 0.00 C ATOM 459 NH1 ARG A 28 15.264 -3.203 5.228 1.00 0.00 N ATOM 460 NH2 ARG A 28 14.779 -5.189 6.192 1.00 0.00 N ATOM 0 H ARG A 28 11.704 -2.437 7.691 1.00 0.00 H new ATOM 0 HA ARG A 28 11.630 -1.227 9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.200 0.023 8.601 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.853 -0.411 10.263 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.866 -2.421 9.879 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.527 -2.836 8.826 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.782 -1.535 6.943 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.168 -1.506 8.015 1.00 0.00 H new ATOM 0 HE ARG A 28 15.992 -4.071 8.143 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.585 -2.238 5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.999 -3.580 4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.721 -5.776 7.024 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.514 -5.566 5.282 1.00 0.00 H new ATOM 474 N ILE A 29 10.805 0.862 7.765 1.00 0.00 N ATOM 475 CA ILE A 29 10.233 2.224 7.545 1.00 0.00 C ATOM 476 C ILE A 29 8.777 2.268 8.001 1.00 0.00 C ATOM 477 O ILE A 29 8.032 1.324 7.829 1.00 0.00 O ATOM 478 CB ILE A 29 10.333 2.462 6.037 1.00 0.00 C ATOM 479 CG1 ILE A 29 9.840 3.872 5.714 1.00 0.00 C ATOM 480 CG2 ILE A 29 9.471 1.440 5.295 1.00 0.00 C ATOM 481 CD1 ILE A 29 9.645 4.013 4.202 1.00 0.00 C ATOM 0 H ILE A 29 10.479 0.144 7.118 1.00 0.00 H new ATOM 0 HA ILE A 29 10.764 2.988 8.112 1.00 0.00 H new ATOM 0 HB ILE A 29 11.371 2.354 5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.901 4.068 6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.559 4.610 6.069 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.545 1.613 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.820 0.434 5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.432 1.544 5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 29 9.293 5.019 3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.593 3.836 3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.909 3.285 3.861 1.00 0.00 H new ATOM 493 N SER A 30 8.367 3.359 8.586 1.00 0.00 N ATOM 494 CA SER A 30 6.959 3.464 9.058 1.00 0.00 C ATOM 495 C SER A 30 6.035 3.823 7.890 1.00 0.00 C ATOM 496 O SER A 30 6.471 3.984 6.767 1.00 0.00 O ATOM 497 CB SER A 30 6.975 4.587 10.094 1.00 0.00 C ATOM 498 OG SER A 30 6.750 5.832 9.445 1.00 0.00 O ATOM 0 H SER A 30 8.946 4.181 8.757 1.00 0.00 H new ATOM 0 HA SER A 30 6.591 2.527 9.476 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.206 4.413 10.847 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.933 4.603 10.614 1.00 0.00 H new ATOM 0 HG SER A 30 6.758 6.553 10.109 1.00 0.00 H new ATOM 504 N ASN A 31 4.761 3.949 8.145 1.00 0.00 N ATOM 505 CA ASN A 31 3.813 4.297 7.046 1.00 0.00 C ATOM 506 C ASN A 31 3.996 5.754 6.627 1.00 0.00 C ATOM 507 O ASN A 31 4.141 6.052 5.465 1.00 0.00 O ATOM 508 CB ASN A 31 2.419 4.078 7.638 1.00 0.00 C ATOM 509 CG ASN A 31 2.316 4.792 8.986 1.00 0.00 C ATOM 510 OD1 ASN A 31 3.040 4.476 9.911 1.00 0.00 O ATOM 511 ND2 ASN A 31 1.442 5.749 9.140 1.00 0.00 N ATOM 0 H ASN A 31 4.336 3.827 9.064 1.00 0.00 H new ATOM 0 HA ASN A 31 3.977 3.691 6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.659 4.458 6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.230 3.012 7.764 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.366 6.231 10.036 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.835 6.015 8.365 1.00 0.00 H new ATOM 518 N VAL A 32 4.003 6.668 7.561 1.00 0.00 N ATOM 519 CA VAL A 32 4.193 8.098 7.184 1.00 0.00 C ATOM 520 C VAL A 32 5.262 8.200 6.099 1.00 0.00 C ATOM 521 O VAL A 32 5.060 8.813 5.069 1.00 0.00 O ATOM 522 CB VAL A 32 4.653 8.793 8.464 1.00 0.00 C ATOM 523 CG1 VAL A 32 4.813 10.291 8.202 1.00 0.00 C ATOM 524 CG2 VAL A 32 3.610 8.576 9.563 1.00 0.00 C ATOM 0 H VAL A 32 3.887 6.489 8.558 1.00 0.00 H new ATOM 0 HA VAL A 32 3.284 8.553 6.789 1.00 0.00 H new ATOM 0 HB VAL A 32 5.609 8.376 8.781 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.141 10.787 9.115 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.554 10.446 7.418 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.857 10.709 7.885 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.937 9.071 10.477 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.655 8.994 9.245 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.495 7.508 9.750 1.00 0.00 H new ATOM 534 N GLU A 33 6.382 7.562 6.300 1.00 0.00 N ATOM 535 CA GLU A 33 7.438 7.578 5.256 1.00 0.00 C ATOM 536 C GLU A 33 6.936 6.812 4.034 1.00 0.00 C ATOM 537 O GLU A 33 7.178 7.186 2.905 1.00 0.00 O ATOM 538 CB GLU A 33 8.634 6.867 5.888 1.00 0.00 C ATOM 539 CG GLU A 33 9.923 7.593 5.500 1.00 0.00 C ATOM 540 CD GLU A 33 10.472 8.343 6.715 1.00 0.00 C ATOM 541 OE1 GLU A 33 10.065 9.474 6.922 1.00 0.00 O ATOM 542 OE2 GLU A 33 11.290 7.773 7.419 1.00 0.00 O ATOM 0 H GLU A 33 6.609 7.032 7.141 1.00 0.00 H new ATOM 0 HA GLU A 33 7.703 8.584 4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.527 6.848 6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.673 5.830 5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.661 6.877 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.729 8.291 4.686 1.00 0.00 H new ATOM 549 N LEU A 34 6.200 5.754 4.261 1.00 0.00 N ATOM 550 CA LEU A 34 5.637 4.975 3.127 1.00 0.00 C ATOM 551 C LEU A 34 4.582 5.819 2.402 1.00 0.00 C ATOM 552 O LEU A 34 4.662 6.050 1.213 1.00 0.00 O ATOM 553 CB LEU A 34 4.997 3.748 3.777 1.00 0.00 C ATOM 554 CG LEU A 34 5.614 2.479 3.188 1.00 0.00 C ATOM 555 CD1 LEU A 34 4.810 1.262 3.645 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.591 2.563 1.660 1.00 0.00 C ATOM 0 H LEU A 34 5.966 5.398 5.188 1.00 0.00 H new ATOM 0 HA LEU A 34 6.388 4.694 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.151 3.773 4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.920 3.754 3.608 1.00 0.00 H new ATOM 0 HG LEU A 34 6.644 2.382 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.249 0.357 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.827 1.203 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.780 1.357 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.031 1.659 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.561 2.660 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.165 3.431 1.335 1.00 0.00 H new ATOM 568 N SER A 35 3.612 6.302 3.129 1.00 0.00 N ATOM 569 CA SER A 35 2.557 7.160 2.517 1.00 0.00 C ATOM 570 C SER A 35 3.186 8.202 1.584 1.00 0.00 C ATOM 571 O SER A 35 2.710 8.441 0.493 1.00 0.00 O ATOM 572 CB SER A 35 1.897 7.850 3.704 1.00 0.00 C ATOM 573 OG SER A 35 2.589 9.059 3.992 1.00 0.00 O ATOM 0 H SER A 35 3.504 6.138 4.130 1.00 0.00 H new ATOM 0 HA SER A 35 1.851 6.585 1.917 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.851 8.061 3.481 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.911 7.194 4.574 1.00 0.00 H new ATOM 0 HG SER A 35 3.431 8.853 4.450 1.00 0.00 H new ATOM 579 N LYS A 36 4.242 8.838 2.018 1.00 0.00 N ATOM 580 CA LYS A 36 4.892 9.882 1.171 1.00 0.00 C ATOM 581 C LYS A 36 5.665 9.238 0.016 1.00 0.00 C ATOM 582 O LYS A 36 5.715 9.766 -1.078 1.00 0.00 O ATOM 583 CB LYS A 36 5.851 10.609 2.112 1.00 0.00 C ATOM 584 CG LYS A 36 5.052 11.313 3.212 1.00 0.00 C ATOM 585 CD LYS A 36 5.864 11.321 4.508 1.00 0.00 C ATOM 586 CE LYS A 36 6.423 12.725 4.753 1.00 0.00 C ATOM 587 NZ LYS A 36 5.241 13.545 5.136 1.00 0.00 N ATOM 0 H LYS A 36 4.683 8.680 2.924 1.00 0.00 H new ATOM 0 HA LYS A 36 4.162 10.556 0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.551 9.900 2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.442 11.336 1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.819 12.334 2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.102 10.803 3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.235 11.017 5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.679 10.600 4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.173 12.719 5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.905 13.120 3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.457 14.083 5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.011 14.204 4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.428 12.921 5.312 1.00 0.00 H new ATOM 601 N ARG A 37 6.272 8.107 0.248 1.00 0.00 N ATOM 602 CA ARG A 37 7.040 7.441 -0.838 1.00 0.00 C ATOM 603 C ARG A 37 6.106 7.054 -1.972 1.00 0.00 C ATOM 604 O ARG A 37 6.408 7.237 -3.134 1.00 0.00 O ATOM 605 CB ARG A 37 7.644 6.198 -0.189 1.00 0.00 C ATOM 606 CG ARG A 37 9.137 6.420 0.034 1.00 0.00 C ATOM 607 CD ARG A 37 9.543 5.848 1.393 1.00 0.00 C ATOM 608 NE ARG A 37 10.662 6.716 1.854 1.00 0.00 N ATOM 609 CZ ARG A 37 11.897 6.335 1.681 1.00 0.00 C ATOM 610 NH1 ARG A 37 12.523 6.627 0.573 1.00 0.00 N ATOM 611 NH2 ARG A 37 12.509 5.661 2.616 1.00 0.00 N ATOM 0 H ARG A 37 6.269 7.616 1.142 1.00 0.00 H new ATOM 0 HA ARG A 37 7.807 8.088 -1.264 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.149 5.993 0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.485 5.328 -0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.709 5.939 -0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.367 7.485 -0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.710 5.870 2.096 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.859 4.808 1.306 1.00 0.00 H new ATOM 0 HE ARG A 37 10.462 7.609 2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.046 7.154 -0.159 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.489 6.328 0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.021 5.432 3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.475 5.363 2.481 1.00 0.00 H new ATOM 625 N VAL A 38 4.972 6.532 -1.641 1.00 0.00 N ATOM 626 CA VAL A 38 3.996 6.141 -2.695 1.00 0.00 C ATOM 627 C VAL A 38 3.033 7.298 -2.971 1.00 0.00 C ATOM 628 O VAL A 38 1.949 7.107 -3.486 1.00 0.00 O ATOM 629 CB VAL A 38 3.241 4.938 -2.122 1.00 0.00 C ATOM 630 CG1 VAL A 38 4.158 3.714 -2.128 1.00 0.00 C ATOM 631 CG2 VAL A 38 2.804 5.241 -0.686 1.00 0.00 C ATOM 0 H VAL A 38 4.670 6.355 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 38 4.484 5.897 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 38 2.360 4.738 -2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.623 2.856 -1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.468 3.496 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.038 3.916 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.267 4.384 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.683 5.442 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.151 6.114 -0.681 1.00 0.00 H new ATOM 641 N GLY A 39 3.414 8.498 -2.618 1.00 0.00 N ATOM 642 CA GLY A 39 2.514 9.661 -2.849 1.00 0.00 C ATOM 643 C GLY A 39 1.124 9.321 -2.322 1.00 0.00 C ATOM 644 O GLY A 39 0.129 9.868 -2.754 1.00 0.00 O ATOM 0 H GLY A 39 4.308 8.720 -2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.903 10.545 -2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.467 9.896 -3.912 1.00 0.00 H new ATOM 648 N LEU A 40 1.050 8.403 -1.401 1.00 0.00 N ATOM 649 CA LEU A 40 -0.268 8.000 -0.850 1.00 0.00 C ATOM 650 C LEU A 40 -0.415 8.461 0.591 1.00 0.00 C ATOM 651 O LEU A 40 0.453 8.237 1.410 1.00 0.00 O ATOM 652 CB LEU A 40 -0.246 6.473 -0.885 1.00 0.00 C ATOM 653 CG LEU A 40 -1.630 5.933 -1.226 1.00 0.00 C ATOM 654 CD1 LEU A 40 -1.817 4.573 -0.556 1.00 0.00 C ATOM 655 CD2 LEU A 40 -2.715 6.894 -0.723 1.00 0.00 C ATOM 0 H LEU A 40 1.852 7.913 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.092 8.434 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.478 6.130 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.076 6.085 0.081 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.716 5.834 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.806 4.182 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.055 3.882 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.724 4.684 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.698 6.496 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.632 7.002 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.587 7.868 -1.196 1.00 0.00 H new ATOM 667 N SER A 41 -1.529 9.036 0.936 1.00 0.00 N ATOM 668 CA SER A 41 -1.727 9.415 2.352 1.00 0.00 C ATOM 669 C SER A 41 -1.410 8.211 3.205 1.00 0.00 C ATOM 670 O SER A 41 -1.523 7.091 2.753 1.00 0.00 O ATOM 671 CB SER A 41 -3.200 9.782 2.478 1.00 0.00 C ATOM 672 OG SER A 41 -3.331 11.196 2.544 1.00 0.00 O ATOM 0 H SER A 41 -2.300 9.257 0.306 1.00 0.00 H new ATOM 0 HA SER A 41 -1.092 10.243 2.667 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.757 9.394 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.625 9.324 3.371 1.00 0.00 H new ATOM 0 HG SER A 41 -4.278 11.433 2.623 1.00 0.00 H new ATOM 678 N PRO A 42 -0.989 8.461 4.391 1.00 0.00 N ATOM 679 CA PRO A 42 -0.614 7.359 5.276 1.00 0.00 C ATOM 680 C PRO A 42 -1.850 6.583 5.719 1.00 0.00 C ATOM 681 O PRO A 42 -1.884 5.372 5.642 1.00 0.00 O ATOM 682 CB PRO A 42 0.070 8.049 6.443 1.00 0.00 C ATOM 683 CG PRO A 42 -0.485 9.441 6.451 1.00 0.00 C ATOM 684 CD PRO A 42 -0.831 9.773 5.021 1.00 0.00 C ATOM 0 HA PRO A 42 0.034 6.624 4.799 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.138 7.536 7.382 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.153 8.057 6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.367 9.503 7.088 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.245 10.147 6.847 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.746 10.362 4.956 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.043 10.355 4.543 1.00 0.00 H new ATOM 692 N THR A 43 -2.880 7.259 6.147 1.00 0.00 N ATOM 693 CA THR A 43 -4.114 6.532 6.551 1.00 0.00 C ATOM 694 C THR A 43 -4.383 5.400 5.547 1.00 0.00 C ATOM 695 O THR A 43 -4.476 4.247 5.921 1.00 0.00 O ATOM 696 CB THR A 43 -5.228 7.586 6.517 1.00 0.00 C ATOM 697 OG1 THR A 43 -5.331 8.201 7.793 1.00 0.00 O ATOM 698 CG2 THR A 43 -6.562 6.923 6.162 1.00 0.00 C ATOM 0 H THR A 43 -2.920 8.274 6.234 1.00 0.00 H new ATOM 0 HA THR A 43 -4.039 6.075 7.538 1.00 0.00 H new ATOM 0 HB THR A 43 -4.990 8.337 5.764 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.041 8.876 7.774 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.349 7.677 6.140 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.484 6.451 5.183 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.804 6.169 6.911 1.00 0.00 H new ATOM 706 N PRO A 44 -4.452 5.770 4.292 1.00 0.00 N ATOM 707 CA PRO A 44 -4.653 4.776 3.217 1.00 0.00 C ATOM 708 C PRO A 44 -3.370 3.985 2.970 1.00 0.00 C ATOM 709 O PRO A 44 -3.388 2.773 2.905 1.00 0.00 O ATOM 710 CB PRO A 44 -5.001 5.621 1.997 1.00 0.00 C ATOM 711 CG PRO A 44 -4.405 6.968 2.274 1.00 0.00 C ATOM 712 CD PRO A 44 -4.366 7.138 3.775 1.00 0.00 C ATOM 0 HA PRO A 44 -5.424 4.045 3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.589 5.187 1.086 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.080 5.688 1.858 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.402 7.039 1.852 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.002 7.755 1.813 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.447 7.629 4.097 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.195 7.751 4.128 1.00 0.00 H new ATOM 720 N CYS A 45 -2.248 4.652 2.833 1.00 0.00 N ATOM 721 CA CYS A 45 -0.978 3.902 2.601 1.00 0.00 C ATOM 722 C CYS A 45 -0.975 2.664 3.480 1.00 0.00 C ATOM 723 O CYS A 45 -0.650 1.577 3.047 1.00 0.00 O ATOM 724 CB CYS A 45 0.145 4.854 3.004 1.00 0.00 C ATOM 725 SG CYS A 45 1.736 4.131 2.535 1.00 0.00 S ATOM 0 H CYS A 45 -2.159 5.667 2.871 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.861 3.580 1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.013 5.819 2.515 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.117 5.034 4.079 1.00 0.00 H new ATOM 0 HG CYS A 45 1.892 2.993 3.144 1.00 0.00 H new ATOM 731 N LEU A 46 -1.405 2.810 4.699 1.00 0.00 N ATOM 732 CA LEU A 46 -1.505 1.635 5.588 1.00 0.00 C ATOM 733 C LEU A 46 -2.603 0.727 5.061 1.00 0.00 C ATOM 734 O LEU A 46 -2.419 -0.458 4.895 1.00 0.00 O ATOM 735 CB LEU A 46 -1.881 2.206 6.949 1.00 0.00 C ATOM 736 CG LEU A 46 -0.704 3.011 7.496 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.169 4.418 7.868 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.138 2.314 8.735 1.00 0.00 C ATOM 0 H LEU A 46 -1.691 3.696 5.115 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.586 1.051 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.762 2.842 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.138 1.400 7.637 1.00 0.00 H new ATOM 0 HG LEU A 46 0.071 3.079 6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.326 4.989 8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.566 4.916 6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.947 4.355 8.629 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.702 2.889 9.124 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.913 2.242 9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.201 1.313 8.467 1.00 0.00 H new ATOM 750 N GLU A 47 -3.734 1.293 4.742 1.00 0.00 N ATOM 751 CA GLU A 47 -4.832 0.476 4.167 1.00 0.00 C ATOM 752 C GLU A 47 -4.280 -0.366 3.013 1.00 0.00 C ATOM 753 O GLU A 47 -4.519 -1.554 2.926 1.00 0.00 O ATOM 754 CB GLU A 47 -5.859 1.488 3.656 1.00 0.00 C ATOM 755 CG GLU A 47 -6.557 2.152 4.844 1.00 0.00 C ATOM 756 CD GLU A 47 -8.056 1.848 4.791 1.00 0.00 C ATOM 757 OE1 GLU A 47 -8.584 1.762 3.695 1.00 0.00 O ATOM 758 OE2 GLU A 47 -8.649 1.708 5.847 1.00 0.00 O ATOM 0 H GLU A 47 -3.943 2.285 4.856 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.275 -0.208 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.367 2.242 3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.592 0.989 3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.134 1.786 5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.393 3.229 4.820 1.00 0.00 H new ATOM 765 N ARG A 48 -3.511 0.242 2.145 1.00 0.00 N ATOM 766 CA ARG A 48 -2.907 -0.521 1.019 1.00 0.00 C ATOM 767 C ARG A 48 -1.885 -1.516 1.573 1.00 0.00 C ATOM 768 O ARG A 48 -1.873 -2.682 1.218 1.00 0.00 O ATOM 769 CB ARG A 48 -2.222 0.535 0.146 1.00 0.00 C ATOM 770 CG ARG A 48 -3.205 1.677 -0.123 1.00 0.00 C ATOM 771 CD ARG A 48 -3.585 1.687 -1.604 1.00 0.00 C ATOM 772 NE ARG A 48 -5.036 2.025 -1.624 1.00 0.00 N ATOM 773 CZ ARG A 48 -5.632 2.274 -2.757 1.00 0.00 C ATOM 774 NH1 ARG A 48 -4.977 2.852 -3.725 1.00 0.00 N ATOM 775 NH2 ARG A 48 -6.885 1.945 -2.922 1.00 0.00 N ATOM 0 H ARG A 48 -3.277 1.235 2.170 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.641 -1.092 0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.331 0.916 0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.895 0.091 -0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.097 1.555 0.491 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.755 2.630 0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.000 2.422 -2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.398 0.718 -2.067 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.563 2.062 -0.752 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.998 3.109 -3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.443 3.047 -4.611 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.398 1.493 -2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.351 2.140 -3.808 1.00 0.00 H new ATOM 789 N VAL A 49 -1.048 -1.068 2.466 1.00 0.00 N ATOM 790 CA VAL A 49 -0.045 -1.982 3.075 1.00 0.00 C ATOM 791 C VAL A 49 -0.759 -3.139 3.781 1.00 0.00 C ATOM 792 O VAL A 49 -0.414 -4.291 3.614 1.00 0.00 O ATOM 793 CB VAL A 49 0.720 -1.104 4.080 1.00 0.00 C ATOM 794 CG1 VAL A 49 0.576 -1.673 5.498 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.198 -1.069 3.698 1.00 0.00 C ATOM 0 H VAL A 49 -1.016 -0.105 2.801 1.00 0.00 H new ATOM 0 HA VAL A 49 0.625 -2.430 2.341 1.00 0.00 H new ATOM 0 HB VAL A 49 0.306 -0.096 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.122 -1.043 6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.478 -1.697 5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.982 -2.684 5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.743 -0.447 4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.603 -2.081 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.305 -0.654 2.696 1.00 0.00 H new ATOM 805 N ARG A 50 -1.763 -2.839 4.560 1.00 0.00 N ATOM 806 CA ARG A 50 -2.506 -3.923 5.259 1.00 0.00 C ATOM 807 C ARG A 50 -2.848 -5.021 4.267 1.00 0.00 C ATOM 808 O ARG A 50 -2.554 -6.180 4.482 1.00 0.00 O ATOM 809 CB ARG A 50 -3.770 -3.254 5.795 1.00 0.00 C ATOM 810 CG ARG A 50 -3.381 -2.056 6.662 1.00 0.00 C ATOM 811 CD ARG A 50 -3.500 -2.429 8.138 1.00 0.00 C ATOM 812 NE ARG A 50 -4.898 -2.914 8.299 1.00 0.00 N ATOM 813 CZ ARG A 50 -5.209 -3.690 9.300 1.00 0.00 C ATOM 814 NH1 ARG A 50 -4.492 -3.667 10.390 1.00 0.00 N ATOM 815 NH2 ARG A 50 -6.234 -4.492 9.210 1.00 0.00 N ATOM 0 H ARG A 50 -2.099 -1.893 4.741 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.930 -4.384 6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.401 -2.929 4.968 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.352 -3.966 6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.360 -1.747 6.436 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.028 -1.207 6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.780 -3.201 8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.303 -1.570 8.780 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.613 -2.639 7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.689 -3.042 10.459 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.735 -4.274 11.173 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.792 -4.512 8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.477 -5.099 9.993 1.00 0.00 H new ATOM 829 N ARG A 51 -3.423 -4.663 3.160 1.00 0.00 N ATOM 830 CA ARG A 51 -3.733 -5.687 2.128 1.00 0.00 C ATOM 831 C ARG A 51 -2.487 -6.535 1.894 1.00 0.00 C ATOM 832 O ARG A 51 -2.554 -7.742 1.770 1.00 0.00 O ATOM 833 CB ARG A 51 -4.104 -4.891 0.869 1.00 0.00 C ATOM 834 CG ARG A 51 -3.636 -5.645 -0.381 1.00 0.00 C ATOM 835 CD ARG A 51 -4.180 -7.077 -0.352 1.00 0.00 C ATOM 836 NE ARG A 51 -5.474 -7.011 -1.087 1.00 0.00 N ATOM 837 CZ ARG A 51 -5.962 -8.083 -1.650 1.00 0.00 C ATOM 838 NH1 ARG A 51 -5.169 -8.914 -2.269 1.00 0.00 N ATOM 839 NH2 ARG A 51 -7.243 -8.325 -1.593 1.00 0.00 N ATOM 0 H ARG A 51 -3.692 -3.708 2.923 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.541 -6.359 2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.182 -4.738 0.830 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.643 -3.904 0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.982 -5.132 -1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.547 -5.660 -0.422 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.489 -7.772 -0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.324 -7.424 0.671 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.979 -6.127 -1.150 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.167 -8.726 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.551 -9.751 -2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.863 -7.676 -1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.624 -9.163 -2.033 1.00 0.00 H new ATOM 853 N LEU A 52 -1.339 -5.909 1.867 1.00 0.00 N ATOM 854 CA LEU A 52 -0.077 -6.673 1.682 1.00 0.00 C ATOM 855 C LEU A 52 0.264 -7.421 2.971 1.00 0.00 C ATOM 856 O LEU A 52 0.870 -8.473 2.953 1.00 0.00 O ATOM 857 CB LEU A 52 0.988 -5.616 1.388 1.00 0.00 C ATOM 858 CG LEU A 52 0.782 -5.060 -0.017 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.782 -3.930 -0.265 1.00 0.00 C ATOM 860 CD2 LEU A 52 1.003 -6.172 -1.042 1.00 0.00 C ATOM 0 H LEU A 52 -1.224 -4.900 1.966 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.150 -7.411 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.928 -4.811 2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.983 -6.053 1.475 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.234 -4.676 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.638 -3.530 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.625 -3.138 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.797 -4.315 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.856 -5.775 -2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.019 -6.556 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.292 -6.979 -0.863 1.00 0.00 H new ATOM 872 N GLU A 53 -0.118 -6.874 4.092 1.00 0.00 N ATOM 873 CA GLU A 53 0.186 -7.535 5.392 1.00 0.00 C ATOM 874 C GLU A 53 -0.727 -8.747 5.598 1.00 0.00 C ATOM 875 O GLU A 53 -0.271 -9.869 5.692 1.00 0.00 O ATOM 876 CB GLU A 53 -0.097 -6.462 6.444 1.00 0.00 C ATOM 877 CG GLU A 53 -0.224 -7.112 7.820 1.00 0.00 C ATOM 878 CD GLU A 53 1.097 -7.789 8.189 1.00 0.00 C ATOM 879 OE1 GLU A 53 1.329 -8.890 7.719 1.00 0.00 O ATOM 880 OE2 GLU A 53 1.854 -7.195 8.940 1.00 0.00 O ATOM 0 H GLU A 53 -0.629 -5.994 4.164 1.00 0.00 H new ATOM 0 HA GLU A 53 1.211 -7.903 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.707 -5.726 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.015 -5.929 6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.481 -6.360 8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.031 -7.845 7.815 1.00 0.00 H new ATOM 887 N ARG A 54 -2.011 -8.531 5.669 1.00 0.00 N ATOM 888 CA ARG A 54 -2.948 -9.674 5.868 1.00 0.00 C ATOM 889 C ARG A 54 -2.598 -10.817 4.913 1.00 0.00 C ATOM 890 O ARG A 54 -2.872 -11.969 5.182 1.00 0.00 O ATOM 891 CB ARG A 54 -4.333 -9.111 5.547 1.00 0.00 C ATOM 892 CG ARG A 54 -4.722 -8.080 6.606 1.00 0.00 C ATOM 893 CD ARG A 54 -6.244 -7.920 6.632 1.00 0.00 C ATOM 894 NE ARG A 54 -6.482 -6.474 6.369 1.00 0.00 N ATOM 895 CZ ARG A 54 -7.223 -6.108 5.358 1.00 0.00 C ATOM 896 NH1 ARG A 54 -8.510 -6.327 5.378 1.00 0.00 N ATOM 897 NH2 ARG A 54 -6.678 -5.520 4.330 1.00 0.00 N ATOM 0 H ARG A 54 -2.452 -7.614 5.598 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.897 -10.079 6.879 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.330 -8.650 4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.067 -9.916 5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.363 -8.396 7.585 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.249 -7.123 6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.720 -8.543 5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.656 -8.219 7.596 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.066 -5.769 6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.937 -6.784 6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.088 -6.041 4.588 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.673 -5.346 4.316 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.257 -5.234 3.540 1.00 0.00 H new ATOM 911 N GLN A 55 -1.993 -10.508 3.798 1.00 0.00 N ATOM 912 CA GLN A 55 -1.624 -11.579 2.828 1.00 0.00 C ATOM 913 C GLN A 55 -0.302 -12.232 3.237 1.00 0.00 C ATOM 914 O GLN A 55 0.255 -13.036 2.516 1.00 0.00 O ATOM 915 CB GLN A 55 -1.474 -10.862 1.486 1.00 0.00 C ATOM 916 CG GLN A 55 -2.859 -10.590 0.896 1.00 0.00 C ATOM 917 CD GLN A 55 -3.387 -11.859 0.227 1.00 0.00 C ATOM 918 OE1 GLN A 55 -3.785 -12.791 0.897 1.00 0.00 O ATOM 919 NE2 GLN A 55 -3.404 -11.936 -1.075 1.00 0.00 N ATOM 0 H GLN A 55 -1.738 -9.561 3.517 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.370 -12.373 2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.934 -9.925 1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.888 -11.472 0.799 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.543 -10.268 1.681 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.804 -9.779 0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.070 -11.153 -1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.752 -12.779 -1.532 1.00 0.00 H new ATOM 928 N GLY A 56 0.205 -11.893 4.390 1.00 0.00 N ATOM 929 CA GLY A 56 1.489 -12.494 4.847 1.00 0.00 C ATOM 930 C GLY A 56 2.650 -11.890 4.054 1.00 0.00 C ATOM 931 O GLY A 56 3.580 -12.576 3.677 1.00 0.00 O ATOM 0 H GLY A 56 -0.215 -11.225 5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.629 -12.311 5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.465 -13.575 4.710 1.00 0.00 H new ATOM 935 N PHE A 57 2.607 -10.610 3.799 1.00 0.00 N ATOM 936 CA PHE A 57 3.713 -9.964 3.031 1.00 0.00 C ATOM 937 C PHE A 57 4.229 -8.731 3.779 1.00 0.00 C ATOM 938 O PHE A 57 4.999 -7.952 3.253 1.00 0.00 O ATOM 939 CB PHE A 57 3.084 -9.555 1.697 1.00 0.00 C ATOM 940 CG PHE A 57 4.159 -9.451 0.635 1.00 0.00 C ATOM 941 CD1 PHE A 57 5.512 -9.494 0.997 1.00 0.00 C ATOM 942 CD2 PHE A 57 3.800 -9.308 -0.710 1.00 0.00 C ATOM 943 CE1 PHE A 57 6.503 -9.395 0.013 1.00 0.00 C ATOM 944 CE2 PHE A 57 4.792 -9.210 -1.694 1.00 0.00 C ATOM 945 CZ PHE A 57 6.143 -9.253 -1.332 1.00 0.00 C ATOM 0 H PHE A 57 1.856 -9.984 4.088 1.00 0.00 H new ATOM 0 HA PHE A 57 4.564 -10.632 2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.334 -10.287 1.398 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.571 -8.599 1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.790 -9.603 2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.757 -9.273 -0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.546 -9.428 0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.514 -9.101 -2.732 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.908 -9.177 -2.091 1.00 0.00 H new ATOM 955 N ILE A 58 3.812 -8.551 5.003 1.00 0.00 N ATOM 956 CA ILE A 58 4.280 -7.370 5.786 1.00 0.00 C ATOM 957 C ILE A 58 4.532 -7.767 7.241 1.00 0.00 C ATOM 958 O ILE A 58 4.305 -6.999 8.154 1.00 0.00 O ATOM 959 CB ILE A 58 3.146 -6.349 5.693 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.587 -6.329 4.269 1.00 0.00 C ATOM 961 CG2 ILE A 58 3.686 -4.965 6.035 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.624 -5.720 3.326 1.00 0.00 C ATOM 0 H ILE A 58 3.168 -9.170 5.495 1.00 0.00 H new ATOM 0 HA ILE A 58 5.217 -6.967 5.401 1.00 0.00 H new ATOM 0 HB ILE A 58 2.355 -6.623 6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.339 -7.341 3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.665 -5.749 4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.880 -4.234 5.970 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.089 -4.972 7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.475 -4.699 5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.228 -5.705 2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.850 -4.702 3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.535 -6.319 3.351 1.00 0.00 H new