USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=8 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= -8.15! C(o=-13!,f=-11!) USER MOD Set 1.2: B 13 HIS : no HE2:sc= -4.75! C(o=-13!,f=-13!) USER MOD Single : A 13 HIS : no HD1:sc= -0.0743 X(o=-0.074,f=-0.015) USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= -0.273 (180deg=-0.668) USER MOD Single : A 21 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.048) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -10.4! C(o=-10!,f=-8.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0401 X(o=-0.04,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 162:sc= -0.301 (180deg=-0.844) USER MOD Single : B 21 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.056) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -11! C(o=-11!,f=-8.8!) USER MOD Single : B 28 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.00764) USER MOD Single : B 29 GLN : amide:sc= -0.0324 X(o=-0.032,f=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N HIS A 13 -13.315 -3.475 2.179 1.00 0.00 N ATOM 205 CA HIS A 13 -12.412 -2.750 1.295 1.00 0.00 C ATOM 206 C HIS A 13 -11.677 -1.670 2.077 1.00 0.00 C ATOM 207 O HIS A 13 -10.566 -1.283 1.721 1.00 0.00 O ATOM 208 CB HIS A 13 -13.158 -2.103 0.126 1.00 0.00 C ATOM 209 CG HIS A 13 -13.908 -3.057 -0.741 1.00 0.00 C ATOM 210 ND1 HIS A 13 -13.479 -4.338 -1.016 1.00 0.00 N ATOM 211 CD2 HIS A 13 -15.065 -2.895 -1.418 1.00 0.00 C ATOM 212 CE1 HIS A 13 -14.343 -4.924 -1.827 1.00 0.00 C ATOM 213 NE2 HIS A 13 -15.315 -4.068 -2.085 1.00 0.00 N ATOM 0 HA HIS A 13 -11.702 -3.471 0.890 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.857 -1.367 0.522 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.440 -1.561 -0.490 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.680 -2.007 -1.432 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -14.267 -5.930 -2.212 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -16.121 -4.249 -2.683 1.00 0.00 H new ATOM 222 N ALA A 14 -12.306 -1.188 3.148 1.00 0.00 N ATOM 223 CA ALA A 14 -11.705 -0.154 3.982 1.00 0.00 C ATOM 224 C ALA A 14 -10.492 -0.705 4.714 1.00 0.00 C ATOM 225 O ALA A 14 -9.435 -0.075 4.745 1.00 0.00 O ATOM 226 CB ALA A 14 -12.722 0.389 4.974 1.00 0.00 C ATOM 0 H ALA A 14 -13.228 -1.497 3.456 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.381 0.664 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.256 1.160 5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.566 0.817 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.075 -0.420 5.613 1.00 0.00 H new ATOM 232 N LYS A 15 -10.647 -1.890 5.292 1.00 0.00 N ATOM 233 CA LYS A 15 -9.557 -2.532 6.011 1.00 0.00 C ATOM 234 C LYS A 15 -8.484 -3.015 5.039 1.00 0.00 C ATOM 235 O LYS A 15 -7.341 -3.245 5.432 1.00 0.00 O ATOM 236 CB LYS A 15 -10.082 -3.707 6.838 1.00 0.00 C ATOM 237 CG LYS A 15 -9.039 -4.310 7.766 1.00 0.00 C ATOM 238 CD LYS A 15 -9.594 -4.524 9.164 1.00 0.00 C ATOM 239 CE LYS A 15 -8.528 -5.046 10.113 1.00 0.00 C ATOM 240 NZ LYS A 15 -7.216 -4.375 9.897 1.00 0.00 N ATOM 0 H LYS A 15 -11.516 -2.424 5.276 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.113 -1.798 6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.934 -3.372 7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.448 -4.481 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.696 -5.262 7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.171 -3.653 7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.994 -3.584 9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.423 -5.230 9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.850 -4.890 11.142 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.413 -6.121 9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.599 -4.548 10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.768 -4.756 9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.364 -3.352 9.785 1.00 0.00 H new ATOM 254 N GLU A 16 -8.859 -3.173 3.770 1.00 0.00 N ATOM 255 CA GLU A 16 -7.925 -3.632 2.750 1.00 0.00 C ATOM 256 C GLU A 16 -7.032 -2.496 2.258 1.00 0.00 C ATOM 257 O GLU A 16 -5.859 -2.711 1.956 1.00 0.00 O ATOM 258 CB GLU A 16 -8.685 -4.247 1.574 1.00 0.00 C ATOM 259 CG GLU A 16 -8.472 -5.745 1.430 1.00 0.00 C ATOM 260 CD GLU A 16 -9.771 -6.498 1.220 1.00 0.00 C ATOM 261 OE1 GLU A 16 -10.821 -6.013 1.689 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.737 -7.575 0.586 1.00 0.00 O ATOM 0 H GLU A 16 -9.802 -2.990 3.427 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.286 -4.391 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.750 -4.050 1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.374 -3.754 0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.806 -5.935 0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.975 -6.126 2.322 1.00 0.00 H new ATOM 269 N ILE A 17 -7.585 -1.288 2.176 1.00 0.00 N ATOM 270 CA ILE A 17 -6.817 -0.135 1.720 1.00 0.00 C ATOM 271 C ILE A 17 -5.942 0.405 2.845 1.00 0.00 C ATOM 272 O ILE A 17 -4.834 0.888 2.607 1.00 0.00 O ATOM 273 CB ILE A 17 -7.744 0.982 1.193 1.00 0.00 C ATOM 274 CG1 ILE A 17 -6.928 2.224 0.787 1.00 0.00 C ATOM 275 CG2 ILE A 17 -8.812 1.324 2.225 1.00 0.00 C ATOM 276 CD1 ILE A 17 -6.644 3.203 1.914 1.00 0.00 C ATOM 0 H ILE A 17 -8.555 -1.084 2.418 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.179 -0.466 0.901 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.252 0.618 0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.979 1.894 0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.463 2.749 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.455 2.113 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.411 0.438 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.334 1.666 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.065 4.043 1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.585 3.569 2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.078 2.701 2.698 1.00 0.00 H new ATOM 288 N GLU A 18 -6.440 0.308 4.072 1.00 0.00 N ATOM 289 CA GLU A 18 -5.700 0.776 5.235 1.00 0.00 C ATOM 290 C GLU A 18 -4.657 -0.254 5.654 1.00 0.00 C ATOM 291 O GLU A 18 -3.599 0.096 6.178 1.00 0.00 O ATOM 292 CB GLU A 18 -6.655 1.058 6.396 1.00 0.00 C ATOM 293 CG GLU A 18 -6.900 2.539 6.636 1.00 0.00 C ATOM 294 CD GLU A 18 -5.988 3.115 7.703 1.00 0.00 C ATOM 295 OE1 GLU A 18 -5.637 2.376 8.646 1.00 0.00 O ATOM 296 OE2 GLU A 18 -5.628 4.306 7.596 1.00 0.00 O ATOM 0 H GLU A 18 -7.354 -0.091 4.286 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.189 1.701 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.608 0.568 6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.250 0.613 7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.752 3.084 5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.939 2.689 6.931 1.00 0.00 H new ATOM 303 N ARG A 19 -4.961 -1.526 5.414 1.00 0.00 N ATOM 304 CA ARG A 19 -4.048 -2.607 5.762 1.00 0.00 C ATOM 305 C ARG A 19 -2.909 -2.691 4.757 1.00 0.00 C ATOM 306 O ARG A 19 -1.758 -2.929 5.126 1.00 0.00 O ATOM 307 CB ARG A 19 -4.792 -3.940 5.825 1.00 0.00 C ATOM 308 CG ARG A 19 -3.880 -5.138 6.034 1.00 0.00 C ATOM 309 CD ARG A 19 -3.797 -6.001 4.787 1.00 0.00 C ATOM 310 NE ARG A 19 -3.733 -7.424 5.109 1.00 0.00 N ATOM 311 CZ ARG A 19 -4.711 -8.084 5.722 1.00 0.00 C ATOM 312 NH1 ARG A 19 -5.821 -7.451 6.075 1.00 0.00 N ATOM 313 NH2 ARG A 19 -4.580 -9.378 5.981 1.00 0.00 N ATOM 0 H ARG A 19 -5.832 -1.832 4.980 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.630 -2.394 6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.520 -3.902 6.636 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.352 -4.078 4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.882 -4.794 6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.249 -5.736 6.867 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.665 -5.811 4.156 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.916 -5.720 4.210 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.892 -7.940 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.926 -6.456 5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.570 -7.959 6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.728 -9.869 5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.331 -9.883 6.451 1.00 0.00 H new ATOM 327 N LEU A 20 -3.226 -2.483 3.484 1.00 0.00 N ATOM 328 CA LEU A 20 -2.212 -2.526 2.447 1.00 0.00 C ATOM 329 C LEU A 20 -1.314 -1.305 2.558 1.00 0.00 C ATOM 330 O LEU A 20 -0.117 -1.372 2.284 1.00 0.00 O ATOM 331 CB LEU A 20 -2.857 -2.586 1.062 1.00 0.00 C ATOM 332 CG LEU A 20 -3.684 -3.845 0.787 1.00 0.00 C ATOM 333 CD1 LEU A 20 -4.714 -3.579 -0.301 1.00 0.00 C ATOM 334 CD2 LEU A 20 -2.777 -5.001 0.392 1.00 0.00 C ATOM 0 H LEU A 20 -4.170 -2.285 3.151 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.612 -3.426 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.499 -1.714 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.072 -2.513 0.309 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.212 -4.118 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.293 -4.485 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.382 -2.779 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.206 -3.282 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.381 -5.888 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.223 -4.737 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.077 -5.207 1.201 1.00 0.00 H new ATOM 346 N GLN A 21 -1.906 -0.186 2.969 1.00 0.00 N ATOM 347 CA GLN A 21 -1.168 1.059 3.126 1.00 0.00 C ATOM 348 C GLN A 21 -0.102 0.928 4.208 1.00 0.00 C ATOM 349 O GLN A 21 1.041 1.339 4.017 1.00 0.00 O ATOM 350 CB GLN A 21 -2.124 2.203 3.471 1.00 0.00 C ATOM 351 CG GLN A 21 -2.588 2.994 2.259 1.00 0.00 C ATOM 352 CD GLN A 21 -2.332 4.482 2.402 1.00 0.00 C ATOM 353 OE1 GLN A 21 -1.885 5.140 1.462 1.00 0.00 O ATOM 354 NE2 GLN A 21 -2.614 5.020 3.582 1.00 0.00 N ATOM 0 H GLN A 21 -2.897 -0.119 3.199 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.674 1.280 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.995 1.795 3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.631 2.880 4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.076 2.625 1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.654 2.825 2.106 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.983 4.437 4.333 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.462 6.017 3.738 1.00 0.00 H new ATOM 363 N LYS A 22 -0.478 0.349 5.345 1.00 0.00 N ATOM 364 CA LYS A 22 0.462 0.167 6.445 1.00 0.00 C ATOM 365 C LYS A 22 1.619 -0.729 6.015 1.00 0.00 C ATOM 366 O LYS A 22 2.778 -0.472 6.349 1.00 0.00 O ATOM 367 CB LYS A 22 -0.243 -0.431 7.665 1.00 0.00 C ATOM 368 CG LYS A 22 -0.961 -1.737 7.376 1.00 0.00 C ATOM 369 CD LYS A 22 -1.356 -2.451 8.659 1.00 0.00 C ATOM 370 CE LYS A 22 -0.851 -3.885 8.677 1.00 0.00 C ATOM 371 NZ LYS A 22 -1.597 -4.726 9.653 1.00 0.00 N ATOM 0 H LYS A 22 -1.419 0.001 5.527 1.00 0.00 H new ATOM 0 HA LYS A 22 0.859 1.144 6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.492 -0.597 8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.963 0.292 8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.851 -1.540 6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.316 -2.384 6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.953 -1.911 9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.441 -2.445 8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.946 -4.316 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.210 -3.893 8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.222 -5.696 9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.486 -4.330 10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.606 -4.740 9.400 1.00 0.00 H new ATOM 385 N GLU A 23 1.298 -1.779 5.265 1.00 0.00 N ATOM 386 CA GLU A 23 2.313 -2.709 4.783 1.00 0.00 C ATOM 387 C GLU A 23 3.343 -1.988 3.919 1.00 0.00 C ATOM 388 O GLU A 23 4.547 -2.223 4.041 1.00 0.00 O ATOM 389 CB GLU A 23 1.661 -3.839 3.983 1.00 0.00 C ATOM 390 CG GLU A 23 1.670 -5.177 4.704 1.00 0.00 C ATOM 391 CD GLU A 23 2.288 -6.283 3.871 1.00 0.00 C ATOM 392 OE1 GLU A 23 3.533 -6.351 3.805 1.00 0.00 O ATOM 393 OE2 GLU A 23 1.526 -7.082 3.286 1.00 0.00 O ATOM 0 H GLU A 23 0.346 -2.006 4.979 1.00 0.00 H new ATOM 0 HA GLU A 23 2.823 -3.133 5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.631 -3.565 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.180 -3.945 3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.223 -5.079 5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.648 -5.452 4.966 1.00 0.00 H new ATOM 400 N ILE A 24 2.866 -1.102 3.047 1.00 0.00 N ATOM 401 CA ILE A 24 3.757 -0.349 2.172 1.00 0.00 C ATOM 402 C ILE A 24 4.673 0.549 3.004 1.00 0.00 C ATOM 403 O ILE A 24 5.816 0.808 2.632 1.00 0.00 O ATOM 404 CB ILE A 24 2.976 0.483 1.106 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.640 1.900 1.595 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.700 -0.235 0.698 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.613 2.943 1.095 1.00 0.00 C ATOM 0 H ILE A 24 1.875 -0.890 2.929 1.00 0.00 H new ATOM 0 HA ILE A 24 4.366 -1.067 1.623 1.00 0.00 H new ATOM 0 HB ILE A 24 3.634 0.581 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.634 2.163 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.633 1.910 2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.169 0.360 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.950 -1.207 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.065 -0.373 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.323 3.923 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.617 2.702 1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.602 2.958 0.005 1.00 0.00 H new ATOM 419 N GLU A 25 4.152 1.012 4.138 1.00 0.00 N ATOM 420 CA GLU A 25 4.912 1.869 5.035 1.00 0.00 C ATOM 421 C GLU A 25 6.142 1.135 5.545 1.00 0.00 C ATOM 422 O GLU A 25 7.238 1.691 5.589 1.00 0.00 O ATOM 423 CB GLU A 25 4.041 2.318 6.211 1.00 0.00 C ATOM 424 CG GLU A 25 4.681 3.400 7.065 1.00 0.00 C ATOM 425 CD GLU A 25 4.383 3.228 8.541 1.00 0.00 C ATOM 426 OE1 GLU A 25 3.192 3.277 8.916 1.00 0.00 O ATOM 427 OE2 GLU A 25 5.340 3.044 9.323 1.00 0.00 O ATOM 0 H GLU A 25 3.205 0.806 4.455 1.00 0.00 H new ATOM 0 HA GLU A 25 5.232 2.752 4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.089 2.685 5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.820 1.455 6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.760 3.388 6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.323 4.376 6.737 1.00 0.00 H new ATOM 434 N ARG A 26 5.953 -0.128 5.920 1.00 0.00 N ATOM 435 CA ARG A 26 7.052 -0.946 6.413 1.00 0.00 C ATOM 436 C ARG A 26 8.148 -1.046 5.358 1.00 0.00 C ATOM 437 O ARG A 26 9.320 -0.785 5.635 1.00 0.00 O ATOM 438 CB ARG A 26 6.553 -2.344 6.784 1.00 0.00 C ATOM 439 CG ARG A 26 7.574 -3.170 7.550 1.00 0.00 C ATOM 440 CD ARG A 26 7.872 -4.481 6.841 1.00 0.00 C ATOM 441 NE ARG A 26 7.005 -5.562 7.302 1.00 0.00 N ATOM 442 CZ ARG A 26 7.271 -6.851 7.113 1.00 0.00 C ATOM 443 NH1 ARG A 26 8.374 -7.216 6.475 1.00 0.00 N ATOM 444 NH2 ARG A 26 6.433 -7.774 7.563 1.00 0.00 N ATOM 0 H ARG A 26 5.051 -0.604 5.891 1.00 0.00 H new ATOM 0 HA ARG A 26 7.462 -0.473 7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.649 -2.250 7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.277 -2.876 5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.495 -2.598 7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.200 -3.374 8.553 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.746 -4.349 5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.914 -4.755 7.009 1.00 0.00 H new ATOM 0 HE ARG A 26 6.148 -5.314 7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.021 -6.508 6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.576 -8.205 6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.584 -7.496 8.054 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.637 -8.763 7.418 1.00 0.00 H new ATOM 458 N HIS A 27 7.755 -1.407 4.139 1.00 0.00 N ATOM 459 CA HIS A 27 8.704 -1.521 3.041 1.00 0.00 C ATOM 460 C HIS A 27 9.290 -0.154 2.697 1.00 0.00 C ATOM 461 O HIS A 27 10.345 -0.063 2.068 1.00 0.00 O ATOM 462 CB HIS A 27 8.027 -2.128 1.811 1.00 0.00 C ATOM 463 CG HIS A 27 8.110 -3.621 1.762 1.00 0.00 C ATOM 464 ND1 HIS A 27 9.285 -4.302 1.519 1.00 0.00 N ATOM 465 CD2 HIS A 27 7.157 -4.568 1.930 1.00 0.00 C ATOM 466 CE1 HIS A 27 9.051 -5.602 1.539 1.00 0.00 C ATOM 467 NE2 HIS A 27 7.769 -5.789 1.788 1.00 0.00 N ATOM 0 H HIS A 27 6.790 -1.624 3.890 1.00 0.00 H new ATOM 0 HA HIS A 27 9.514 -2.179 3.355 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.979 -1.829 1.798 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.487 -1.716 0.912 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.111 -4.395 2.137 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.784 -6.379 1.379 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.307 -6.695 1.863 1.00 0.00 H new ATOM 476 N LYS A 28 8.601 0.907 3.115 1.00 0.00 N ATOM 477 CA LYS A 28 9.049 2.269 2.858 1.00 0.00 C ATOM 478 C LYS A 28 10.173 2.656 3.813 1.00 0.00 C ATOM 479 O LYS A 28 11.068 3.424 3.458 1.00 0.00 O ATOM 480 CB LYS A 28 7.878 3.242 3.008 1.00 0.00 C ATOM 481 CG LYS A 28 8.230 4.687 2.681 1.00 0.00 C ATOM 482 CD LYS A 28 7.858 5.645 3.809 1.00 0.00 C ATOM 483 CE LYS A 28 6.471 5.366 4.373 1.00 0.00 C ATOM 484 NZ LYS A 28 5.928 6.538 5.116 1.00 0.00 N ATOM 0 H LYS A 28 7.726 0.845 3.636 1.00 0.00 H new ATOM 0 HA LYS A 28 9.429 2.320 1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.065 2.920 2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.506 3.192 4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.299 4.762 2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.714 4.986 1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.595 5.565 4.608 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.898 6.670 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.794 5.106 3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.516 4.504 5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.983 6.308 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.561 6.771 5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.861 7.354 4.475 1.00 0.00 H new ATOM 498 N GLN A 29 10.120 2.116 5.026 1.00 0.00 N ATOM 499 CA GLN A 29 11.132 2.401 6.034 1.00 0.00 C ATOM 500 C GLN A 29 12.440 1.699 5.693 1.00 0.00 C ATOM 501 O GLN A 29 13.522 2.261 5.866 1.00 0.00 O ATOM 502 CB GLN A 29 10.646 1.959 7.416 1.00 0.00 C ATOM 503 CG GLN A 29 11.642 2.238 8.530 1.00 0.00 C ATOM 504 CD GLN A 29 11.275 1.545 9.828 1.00 0.00 C ATOM 505 OE1 GLN A 29 12.102 0.872 10.441 1.00 0.00 O ATOM 506 NE2 GLN A 29 10.028 1.708 10.252 1.00 0.00 N ATOM 0 H GLN A 29 9.386 1.478 5.334 1.00 0.00 H new ATOM 0 HA GLN A 29 11.307 3.477 6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.709 2.468 7.642 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.431 0.891 7.392 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.633 1.912 8.216 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.699 3.313 8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.375 2.275 9.711 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.722 1.266 11.119 1.00 0.00 H new ATOM 515 N SER A 30 12.334 0.468 5.204 1.00 0.00 N ATOM 516 CA SER A 30 13.512 -0.310 4.834 1.00 0.00 C ATOM 517 C SER A 30 14.183 0.277 3.596 1.00 0.00 C ATOM 518 O SER A 30 15.410 0.329 3.507 1.00 0.00 O ATOM 519 CB SER A 30 13.126 -1.768 4.578 1.00 0.00 C ATOM 520 OG SER A 30 13.373 -2.569 5.720 1.00 0.00 O ATOM 0 H SER A 30 11.447 -0.012 5.055 1.00 0.00 H new ATOM 0 HA SER A 30 14.220 -0.270 5.662 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.071 -1.826 4.310 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.692 -2.154 3.730 1.00 0.00 H new ATOM 0 HG SER A 30 13.116 -3.496 5.531 1.00 0.00 H new ATOM 526 N ILE A 31 13.369 0.717 2.642 1.00 0.00 N ATOM 527 CA ILE A 31 13.879 1.301 1.405 1.00 0.00 C ATOM 528 C ILE A 31 14.416 2.708 1.640 1.00 0.00 C ATOM 529 O ILE A 31 15.295 3.176 0.915 1.00 0.00 O ATOM 530 CB ILE A 31 12.783 1.352 0.326 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.333 1.908 -0.986 1.00 0.00 C ATOM 532 CG2 ILE A 31 11.610 2.195 0.800 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.282 0.970 -1.691 1.00 0.00 C ATOM 0 H ILE A 31 12.351 0.680 2.701 1.00 0.00 H new ATOM 0 HA ILE A 31 14.693 0.663 1.060 1.00 0.00 H new ATOM 0 HB ILE A 31 12.437 0.334 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.500 2.136 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.847 2.848 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.844 2.221 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.193 1.760 1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.951 3.209 1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 31 14.632 1.432 -2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.134 0.761 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.766 0.038 -1.924 1.00 0.00 H new ATOM 545 N LYS A 32 13.885 3.376 2.658 1.00 0.00 N ATOM 546 CA LYS A 32 14.313 4.728 2.989 1.00 0.00 C ATOM 547 C LYS A 32 15.616 4.704 3.778 1.00 0.00 C ATOM 548 O LYS A 32 16.421 5.632 3.698 1.00 0.00 O ATOM 549 CB LYS A 32 13.228 5.448 3.791 1.00 0.00 C ATOM 550 CG LYS A 32 13.525 6.918 4.037 1.00 0.00 C ATOM 551 CD LYS A 32 12.475 7.556 4.932 1.00 0.00 C ATOM 552 CE LYS A 32 11.072 7.327 4.394 1.00 0.00 C ATOM 553 NZ LYS A 32 10.175 8.484 4.671 1.00 0.00 N ATOM 0 H LYS A 32 13.158 3.002 3.268 1.00 0.00 H new ATOM 0 HA LYS A 32 14.482 5.269 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.279 5.362 3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.104 4.946 4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.508 7.020 4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.563 7.447 3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.552 7.142 5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.665 8.626 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.119 7.154 3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.653 6.427 4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.228 8.288 4.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.109 8.634 5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.561 9.338 4.220 1.00 0.00 H new ATOM 567 N LYS A 33 15.820 3.634 4.539 1.00 0.00 N ATOM 568 CA LYS A 33 17.029 3.486 5.340 1.00 0.00 C ATOM 569 C LYS A 33 18.207 3.079 4.463 1.00 0.00 C ATOM 570 O LYS A 33 19.337 3.516 4.680 1.00 0.00 O ATOM 571 CB LYS A 33 16.812 2.446 6.441 1.00 0.00 C ATOM 572 CG LYS A 33 17.860 2.499 7.542 1.00 0.00 C ATOM 573 CD LYS A 33 17.638 3.684 8.467 1.00 0.00 C ATOM 574 CE LYS A 33 17.996 3.344 9.904 1.00 0.00 C ATOM 575 NZ LYS A 33 17.096 4.022 10.878 1.00 0.00 N ATOM 0 H LYS A 33 15.164 2.857 4.618 1.00 0.00 H new ATOM 0 HA LYS A 33 17.254 4.448 5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.826 2.595 6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.815 1.451 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.829 1.575 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.853 2.564 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.241 4.527 8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.595 3.997 8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.938 2.265 10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.028 3.636 10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.374 3.763 11.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.170 5.053 10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.114 3.724 10.709 1.00 0.00 H new ATOM 885 N SER B 11 16.495 -1.911 -4.741 1.00 0.00 N ATOM 886 CA SER B 11 15.686 -2.220 -5.909 1.00 0.00 C ATOM 887 C SER B 11 14.571 -3.180 -5.526 1.00 0.00 C ATOM 888 O SER B 11 13.492 -3.170 -6.121 1.00 0.00 O ATOM 889 CB SER B 11 16.552 -2.827 -7.014 1.00 0.00 C ATOM 890 OG SER B 11 16.894 -1.855 -7.987 1.00 0.00 O ATOM 0 HA SER B 11 15.246 -1.297 -6.286 1.00 0.00 H new ATOM 0 HB2 SER B 11 17.460 -3.246 -6.580 1.00 0.00 H new ATOM 0 HB3 SER B 11 16.017 -3.649 -7.489 1.00 0.00 H new ATOM 0 HG SER B 11 17.449 -2.268 -8.681 1.00 0.00 H new ATOM 896 N HIS B 12 14.836 -4.004 -4.517 1.00 0.00 N ATOM 897 CA HIS B 12 13.855 -4.963 -4.040 1.00 0.00 C ATOM 898 C HIS B 12 12.831 -4.258 -3.145 1.00 0.00 C ATOM 899 O HIS B 12 11.623 -4.412 -3.337 1.00 0.00 O ATOM 900 CB HIS B 12 14.578 -6.129 -3.330 1.00 0.00 C ATOM 901 CG HIS B 12 13.943 -6.618 -2.061 1.00 0.00 C ATOM 902 ND1 HIS B 12 12.936 -7.561 -2.030 1.00 0.00 N ATOM 903 CD2 HIS B 12 14.188 -6.288 -0.776 1.00 0.00 C ATOM 904 CE1 HIS B 12 12.591 -7.789 -0.775 1.00 0.00 C ATOM 905 NE2 HIS B 12 13.337 -7.030 0.005 1.00 0.00 N ATOM 0 H HIS B 12 15.724 -4.024 -4.016 1.00 0.00 H new ATOM 0 HA HIS B 12 13.300 -5.390 -4.875 1.00 0.00 H new ATOM 0 HB2 HIS B 12 14.646 -6.966 -4.025 1.00 0.00 H new ATOM 0 HB3 HIS B 12 15.598 -5.816 -3.106 1.00 0.00 H new ATOM 0 HD1 HIS B 12 12.523 -8.011 -2.847 1.00 0.00 H new ATOM 0 HD2 HIS B 12 14.918 -5.573 -0.427 1.00 0.00 H new ATOM 0 HE1 HIS B 12 11.829 -8.479 -0.444 1.00 0.00 H new ATOM 914 N HIS B 13 13.309 -3.462 -2.187 1.00 0.00 N ATOM 915 CA HIS B 13 12.401 -2.732 -1.310 1.00 0.00 C ATOM 916 C HIS B 13 11.664 -1.661 -2.102 1.00 0.00 C ATOM 917 O HIS B 13 10.558 -1.266 -1.743 1.00 0.00 O ATOM 918 CB HIS B 13 13.145 -2.067 -0.154 1.00 0.00 C ATOM 919 CG HIS B 13 13.898 -3.006 0.726 1.00 0.00 C ATOM 920 ND1 HIS B 13 13.484 -4.291 1.004 1.00 0.00 N ATOM 921 CD2 HIS B 13 15.045 -2.823 1.410 1.00 0.00 C ATOM 922 CE1 HIS B 13 14.351 -4.860 1.824 1.00 0.00 C ATOM 923 NE2 HIS B 13 15.309 -3.989 2.084 1.00 0.00 N ATOM 0 H HIS B 13 14.301 -3.310 -2.003 1.00 0.00 H new ATOM 0 HA HIS B 13 11.695 -3.453 -0.898 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.842 -1.335 -0.562 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.426 -1.518 0.454 1.00 0.00 H new ATOM 0 HD1 HIS B 13 12.642 -4.733 0.635 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.645 -1.925 1.425 1.00 0.00 H new ATOM 0 HE1 HIS B 13 14.287 -5.865 2.214 1.00 0.00 H new ATOM 932 N ALA B 14 12.291 -1.192 -3.179 1.00 0.00 N ATOM 933 CA ALA B 14 11.693 -0.165 -4.019 1.00 0.00 C ATOM 934 C ALA B 14 10.479 -0.717 -4.746 1.00 0.00 C ATOM 935 O ALA B 14 9.422 -0.086 -4.785 1.00 0.00 O ATOM 936 CB ALA B 14 12.712 0.369 -5.014 1.00 0.00 C ATOM 0 H ALA B 14 13.211 -1.508 -3.487 1.00 0.00 H new ATOM 0 HA ALA B 14 11.370 0.658 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.248 1.136 -5.634 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.556 0.800 -4.475 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.064 -0.446 -5.647 1.00 0.00 H new ATOM 942 N LYS B 15 10.631 -1.909 -5.311 1.00 0.00 N ATOM 943 CA LYS B 15 9.540 -2.556 -6.022 1.00 0.00 C ATOM 944 C LYS B 15 8.472 -3.035 -5.042 1.00 0.00 C ATOM 945 O LYS B 15 7.327 -3.268 -5.428 1.00 0.00 O ATOM 946 CB LYS B 15 10.064 -3.736 -6.843 1.00 0.00 C ATOM 947 CG LYS B 15 9.024 -4.341 -7.770 1.00 0.00 C ATOM 948 CD LYS B 15 9.580 -4.557 -9.168 1.00 0.00 C ATOM 949 CE LYS B 15 8.513 -5.077 -10.118 1.00 0.00 C ATOM 950 NZ LYS B 15 7.203 -4.406 -9.901 1.00 0.00 N ATOM 0 H LYS B 15 11.499 -2.445 -5.290 1.00 0.00 H new ATOM 0 HA LYS B 15 9.093 -1.828 -6.698 1.00 0.00 H new ATOM 0 HB2 LYS B 15 10.918 -3.406 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS B 15 10.426 -4.508 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS B 15 8.682 -5.292 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS B 15 8.155 -3.685 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS B 15 9.982 -3.619 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS B 15 10.408 -5.265 -9.126 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.835 -4.920 -11.147 1.00 0.00 H new ATOM 0 HE3 LYS B 15 8.397 -6.152 -9.981 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 6.598 -4.549 -10.734 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.740 -4.812 -9.063 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 7.355 -3.388 -9.754 1.00 0.00 H new ATOM 964 N GLU B 16 8.852 -3.182 -3.773 1.00 0.00 N ATOM 965 CA GLU B 16 7.922 -3.636 -2.746 1.00 0.00 C ATOM 966 C GLU B 16 7.031 -2.498 -2.254 1.00 0.00 C ATOM 967 O GLU B 16 5.859 -2.711 -1.950 1.00 0.00 O ATOM 968 CB GLU B 16 8.688 -4.244 -1.569 1.00 0.00 C ATOM 969 CG GLU B 16 8.472 -5.740 -1.412 1.00 0.00 C ATOM 970 CD GLU B 16 9.769 -6.499 -1.221 1.00 0.00 C ATOM 971 OE1 GLU B 16 10.816 -6.015 -1.699 1.00 0.00 O ATOM 972 OE2 GLU B 16 9.738 -7.579 -0.593 1.00 0.00 O ATOM 0 H GLU B 16 9.796 -2.993 -3.435 1.00 0.00 H new ATOM 0 HA GLU B 16 7.282 -4.397 -3.193 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.753 -4.051 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.384 -3.743 -0.650 1.00 0.00 H new ATOM 0 HG2 GLU B 16 7.820 -5.921 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU B 16 7.957 -6.123 -2.293 1.00 0.00 H new ATOM 979 N ILE B 17 7.584 -1.290 -2.176 1.00 0.00 N ATOM 980 CA ILE B 17 6.815 -0.137 -1.721 1.00 0.00 C ATOM 981 C ILE B 17 5.943 0.403 -2.849 1.00 0.00 C ATOM 982 O ILE B 17 4.837 0.894 -2.613 1.00 0.00 O ATOM 983 CB ILE B 17 7.741 0.980 -1.189 1.00 0.00 C ATOM 984 CG1 ILE B 17 6.926 2.226 -0.795 1.00 0.00 C ATOM 985 CG2 ILE B 17 8.823 1.316 -2.208 1.00 0.00 C ATOM 986 CD1 ILE B 17 6.657 3.202 -1.928 1.00 0.00 C ATOM 0 H ILE B 17 8.553 -1.086 -2.420 1.00 0.00 H new ATOM 0 HA ILE B 17 6.174 -0.468 -0.904 1.00 0.00 H new ATOM 0 HB ILE B 17 8.238 0.616 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE B 17 5.971 1.901 -0.381 1.00 0.00 H new ATOM 0 HG13 ILE B 17 7.456 2.752 -0.001 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.463 2.105 -1.812 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.423 0.428 -2.408 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.358 1.656 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.077 4.045 -1.552 1.00 0.00 H new ATOM 0 HD12 ILE B 17 7.604 3.563 -2.330 1.00 0.00 H new ATOM 0 HD13 ILE B 17 6.096 2.699 -2.716 1.00 0.00 H new ATOM 998 N GLU B 18 6.440 0.295 -4.076 1.00 0.00 N ATOM 999 CA GLU B 18 5.700 0.760 -5.241 1.00 0.00 C ATOM 1000 C GLU B 18 4.654 -0.269 -5.655 1.00 0.00 C ATOM 1001 O GLU B 18 3.597 0.082 -6.181 1.00 0.00 O ATOM 1002 CB GLU B 18 6.655 1.033 -6.405 1.00 0.00 C ATOM 1003 CG GLU B 18 6.902 2.512 -6.654 1.00 0.00 C ATOM 1004 CD GLU B 18 5.990 3.084 -7.720 1.00 0.00 C ATOM 1005 OE1 GLU B 18 5.636 2.342 -8.660 1.00 0.00 O ATOM 1006 OE2 GLU B 18 5.629 4.275 -7.616 1.00 0.00 O ATOM 0 H GLU B 18 7.352 -0.110 -4.289 1.00 0.00 H new ATOM 0 HA GLU B 18 5.193 1.688 -4.977 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.608 0.542 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.249 0.583 -7.311 1.00 0.00 H new ATOM 0 HG2 GLU B 18 6.758 3.062 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU B 18 7.940 2.658 -6.953 1.00 0.00 H new ATOM 1013 N ARG B 19 4.954 -1.541 -5.410 1.00 0.00 N ATOM 1014 CA ARG B 19 4.035 -2.619 -5.753 1.00 0.00 C ATOM 1015 C ARG B 19 2.899 -2.699 -4.744 1.00 0.00 C ATOM 1016 O ARG B 19 1.748 -2.935 -5.109 1.00 0.00 O ATOM 1017 CB ARG B 19 4.776 -3.956 -5.815 1.00 0.00 C ATOM 1018 CG ARG B 19 3.860 -5.151 -6.016 1.00 0.00 C ATOM 1019 CD ARG B 19 3.785 -6.012 -4.764 1.00 0.00 C ATOM 1020 NE ARG B 19 3.727 -7.436 -5.081 1.00 0.00 N ATOM 1021 CZ ARG B 19 4.707 -8.094 -5.693 1.00 0.00 C ATOM 1022 NH1 ARG B 19 5.813 -7.457 -6.051 1.00 0.00 N ATOM 1023 NH2 ARG B 19 4.580 -9.389 -5.947 1.00 0.00 N ATOM 0 H ARG B 19 5.824 -1.849 -4.976 1.00 0.00 H new ATOM 0 HA ARG B 19 3.613 -2.405 -6.735 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.500 -3.923 -6.629 1.00 0.00 H new ATOM 0 HB3 ARG B 19 5.340 -4.092 -4.892 1.00 0.00 H new ATOM 0 HG2 ARG B 19 2.861 -4.805 -6.281 1.00 0.00 H new ATOM 0 HG3 ARG B 19 4.221 -5.751 -6.851 1.00 0.00 H new ATOM 0 HD2 ARG B 19 4.654 -5.816 -4.137 1.00 0.00 H new ATOM 0 HD3 ARG B 19 2.905 -5.734 -4.185 1.00 0.00 H new ATOM 0 HE ARG B 19 2.889 -7.954 -4.819 1.00 0.00 H new ATOM 0 HH11 ARG B 19 5.913 -6.461 -5.857 1.00 0.00 H new ATOM 0 HH12 ARG B 19 6.564 -7.963 -6.520 1.00 0.00 H new ATOM 0 HH21 ARG B 19 3.730 -9.882 -5.673 1.00 0.00 H new ATOM 0 HH22 ARG B 19 5.332 -9.893 -6.417 1.00 0.00 H new ATOM 1037 N LEU B 20 3.221 -2.486 -3.473 1.00 0.00 N ATOM 1038 CA LEU B 20 2.209 -2.524 -2.432 1.00 0.00 C ATOM 1039 C LEU B 20 1.316 -1.297 -2.538 1.00 0.00 C ATOM 1040 O LEU B 20 0.122 -1.357 -2.252 1.00 0.00 O ATOM 1041 CB LEU B 20 2.858 -2.591 -1.049 1.00 0.00 C ATOM 1042 CG LEU B 20 3.687 -3.848 -0.781 1.00 0.00 C ATOM 1043 CD1 LEU B 20 4.719 -3.585 0.304 1.00 0.00 C ATOM 1044 CD2 LEU B 20 2.783 -5.007 -0.390 1.00 0.00 C ATOM 0 H LEU B 20 4.166 -2.287 -3.144 1.00 0.00 H new ATOM 0 HA LEU B 20 1.602 -3.420 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.499 -1.718 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.075 -2.523 -0.294 1.00 0.00 H new ATOM 0 HG LEU B 20 4.214 -4.116 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.299 -4.490 0.481 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.385 -2.783 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.213 -3.292 1.224 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.389 -5.894 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.230 -4.748 0.513 1.00 0.00 H new ATOM 0 HD23 LEU B 20 2.082 -5.211 -1.199 1.00 0.00 H new ATOM 1056 N GLN B 21 1.908 -0.184 -2.965 1.00 0.00 N ATOM 1057 CA GLN B 21 1.172 1.062 -3.122 1.00 0.00 C ATOM 1058 C GLN B 21 0.105 0.929 -4.203 1.00 0.00 C ATOM 1059 O GLN B 21 -1.038 1.341 -4.012 1.00 0.00 O ATOM 1060 CB GLN B 21 2.129 2.204 -3.470 1.00 0.00 C ATOM 1061 CG GLN B 21 2.590 3.001 -2.261 1.00 0.00 C ATOM 1062 CD GLN B 21 2.336 4.488 -2.413 1.00 0.00 C ATOM 1063 OE1 GLN B 21 1.894 5.153 -1.476 1.00 0.00 O ATOM 1064 NE2 GLN B 21 2.617 5.019 -3.597 1.00 0.00 N ATOM 0 H GLN B 21 2.897 -0.122 -3.208 1.00 0.00 H new ATOM 0 HA GLN B 21 0.680 1.287 -2.176 1.00 0.00 H new ATOM 0 HB2 GLN B 21 3.001 1.794 -3.978 1.00 0.00 H new ATOM 0 HB3 GLN B 21 1.638 2.877 -4.173 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.075 2.637 -1.372 1.00 0.00 H new ATOM 0 HG3 GLN B 21 3.655 2.832 -2.104 1.00 0.00 H new ATOM 0 HE21 GLN B 21 2.982 4.431 -4.346 1.00 0.00 H new ATOM 0 HE22 GLN B 21 2.468 6.015 -3.757 1.00 0.00 H new ATOM 1073 N LYS B 22 0.481 0.349 -5.340 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.458 0.166 -6.441 1.00 0.00 C ATOM 1075 C LYS B 22 -1.617 -0.728 -6.010 1.00 0.00 C ATOM 1076 O LYS B 22 -2.774 -0.470 -6.347 1.00 0.00 O ATOM 1077 CB LYS B 22 0.248 -0.436 -7.658 1.00 0.00 C ATOM 1078 CG LYS B 22 0.959 -1.747 -7.367 1.00 0.00 C ATOM 1079 CD LYS B 22 1.352 -2.464 -8.648 1.00 0.00 C ATOM 1080 CE LYS B 22 0.847 -3.898 -8.659 1.00 0.00 C ATOM 1081 NZ LYS B 22 1.594 -4.742 -9.632 1.00 0.00 N ATOM 0 H LYS B 22 1.422 0.000 -5.522 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.853 1.143 -6.718 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -0.485 -0.598 -8.448 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.973 0.283 -8.039 1.00 0.00 H new ATOM 0 HG2 LYS B 22 1.850 -1.554 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS B 22 0.310 -2.390 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS B 22 0.947 -1.927 -9.506 1.00 0.00 H new ATOM 0 HD3 LYS B 22 2.437 -2.458 -8.752 1.00 0.00 H new ATOM 0 HE2 LYS B 22 0.943 -4.324 -7.660 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -0.214 -3.907 -8.910 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 1.220 -5.712 -9.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 1.482 -4.350 -10.589 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 2.603 -4.754 -9.378 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.298 -1.777 -5.258 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.314 -2.705 -4.775 1.00 0.00 C ATOM 1097 C GLU B 23 -3.344 -1.980 -3.915 1.00 0.00 C ATOM 1098 O GLU B 23 -4.550 -2.208 -4.043 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.665 -3.834 -3.974 1.00 0.00 C ATOM 1100 CG GLU B 23 -1.676 -5.174 -4.690 1.00 0.00 C ATOM 1101 CD GLU B 23 -2.289 -6.279 -3.851 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -3.533 -6.350 -3.781 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -1.523 -7.072 -3.264 1.00 0.00 O ATOM 0 H GLU B 23 -0.346 -2.005 -4.971 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.823 -3.131 -5.639 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.634 -3.561 -3.748 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -2.184 -3.937 -3.021 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -2.233 -5.079 -5.622 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -0.655 -5.448 -4.955 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.867 -1.099 -3.038 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.760 -0.346 -2.166 1.00 0.00 C ATOM 1112 C ILE B 24 -4.667 0.557 -3.000 1.00 0.00 C ATOM 1113 O ILE B 24 -5.808 0.829 -2.626 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.983 0.483 -1.096 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.635 1.896 -1.584 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.716 -0.243 -0.671 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.600 2.947 -1.083 1.00 0.00 C ATOM 0 H ILE B 24 -1.876 -0.892 -2.914 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.373 -1.065 -1.622 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.648 0.587 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.627 2.150 -1.256 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.628 1.907 -2.674 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -1.189 0.352 0.075 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.977 -1.212 -0.245 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -1.072 -0.390 -1.538 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.302 3.925 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.606 2.714 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -3.589 2.961 0.007 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.144 1.009 -4.138 1.00 0.00 N ATOM 1130 CA GLU B 25 -4.898 1.872 -5.036 1.00 0.00 C ATOM 1131 C GLU B 25 -6.131 1.143 -5.551 1.00 0.00 C ATOM 1132 O GLU B 25 -7.224 1.705 -5.595 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.024 2.316 -6.211 1.00 0.00 C ATOM 1134 CG GLU B 25 -4.664 3.391 -7.074 1.00 0.00 C ATOM 1135 CD GLU B 25 -4.372 3.204 -8.549 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -3.183 3.249 -8.930 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -5.332 3.014 -9.326 1.00 0.00 O ATOM 0 H GLU B 25 -3.200 0.790 -4.458 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.214 2.756 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.075 2.688 -5.826 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.798 1.450 -6.833 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.743 3.383 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -4.303 4.369 -6.757 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.948 -0.119 -5.926 1.00 0.00 N ATOM 1145 CA ARG B 26 -7.049 -0.931 -6.423 1.00 0.00 C ATOM 1146 C ARG B 26 -8.148 -1.022 -5.370 1.00 0.00 C ATOM 1147 O ARG B 26 -9.323 -0.777 -5.656 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.557 -2.332 -6.790 1.00 0.00 C ATOM 1149 CG ARG B 26 -7.589 -3.164 -7.535 1.00 0.00 C ATOM 1150 CD ARG B 26 -7.876 -4.471 -6.814 1.00 0.00 C ATOM 1151 NE ARG B 26 -7.010 -5.552 -7.274 1.00 0.00 N ATOM 1152 CZ ARG B 26 -7.273 -6.840 -7.078 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -8.373 -7.204 -6.436 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -6.435 -7.766 -7.527 1.00 0.00 N ATOM 0 H ARG B 26 -5.049 -0.599 -5.895 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.453 -0.459 -7.318 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.661 -2.244 -7.405 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.268 -2.857 -5.879 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -8.512 -2.594 -7.638 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -7.230 -3.374 -8.543 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -7.741 -4.330 -5.742 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -8.918 -4.750 -6.971 1.00 0.00 H new ATOM 0 HE ARG B 26 -6.156 -5.305 -7.774 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -9.020 -6.495 -6.091 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -8.573 -8.193 -6.287 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -5.588 -7.490 -8.023 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -6.638 -8.754 -7.376 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.755 -1.362 -4.146 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.706 -1.471 -3.049 1.00 0.00 C ATOM 1170 C HIS B 27 -9.306 -0.106 -2.718 1.00 0.00 C ATOM 1171 O HIS B 27 -10.380 -0.021 -2.126 1.00 0.00 O ATOM 1172 CB HIS B 27 -8.029 -2.063 -1.812 1.00 0.00 C ATOM 1173 CG HIS B 27 -8.104 -3.558 -1.752 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -9.273 -4.242 -1.485 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -7.149 -4.502 -1.927 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -9.033 -5.541 -1.499 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -7.753 -5.725 -1.766 1.00 0.00 N ATOM 0 H HIS B 27 -6.789 -1.566 -3.891 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.511 -2.137 -3.360 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.983 -1.758 -1.798 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.494 -1.647 -0.918 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -6.107 -4.326 -2.151 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -9.760 -6.320 -1.322 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -7.288 -6.630 -1.841 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.608 0.958 -3.113 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.077 2.317 -2.864 1.00 0.00 C ATOM 1188 C LYS B 28 -10.205 2.679 -3.826 1.00 0.00 C ATOM 1189 O LYS B 28 -11.119 3.425 -3.476 1.00 0.00 O ATOM 1190 CB LYS B 28 -7.926 3.315 -3.008 1.00 0.00 C ATOM 1191 CG LYS B 28 -8.374 4.770 -2.986 1.00 0.00 C ATOM 1192 CD LYS B 28 -7.261 5.724 -3.393 1.00 0.00 C ATOM 1193 CE LYS B 28 -6.541 5.269 -4.654 1.00 0.00 C ATOM 1194 NZ LYS B 28 -5.991 6.418 -5.424 1.00 0.00 N ATOM 0 H LYS B 28 -7.717 0.903 -3.606 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.458 2.365 -1.844 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.211 3.151 -2.201 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.401 3.119 -3.943 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.222 4.897 -3.659 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.721 5.026 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -7.679 6.718 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.542 5.809 -2.578 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -5.731 4.591 -4.385 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.231 4.707 -5.283 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -6.508 6.514 -6.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.097 7.291 -4.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -4.983 6.253 -5.621 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.127 2.149 -5.038 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.140 2.413 -6.052 1.00 0.00 C ATOM 1210 C GLN B 29 -12.440 1.698 -5.706 1.00 0.00 C ATOM 1211 O GLN B 29 -13.530 2.234 -5.912 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.645 1.964 -7.428 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.641 2.223 -8.546 1.00 0.00 C ATOM 1214 CD GLN B 29 -11.268 1.515 -9.834 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -12.092 0.831 -10.441 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -10.019 1.676 -10.258 1.00 0.00 N ATOM 0 H GLN B 29 -9.373 1.534 -5.344 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.328 3.486 -6.079 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.713 2.481 -7.656 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.419 0.898 -7.394 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -12.631 1.895 -8.229 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -11.704 3.295 -8.730 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -9.369 2.252 -9.723 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -9.710 1.224 -11.118 1.00 0.00 H new ATOM 1225 N SER B 30 -12.318 0.484 -5.178 1.00 0.00 N ATOM 1226 CA SER B 30 -13.486 -0.306 -4.800 1.00 0.00 C ATOM 1227 C SER B 30 -14.168 0.275 -3.563 1.00 0.00 C ATOM 1228 O SER B 30 -15.394 0.340 -3.493 1.00 0.00 O ATOM 1229 CB SER B 30 -13.083 -1.759 -4.540 1.00 0.00 C ATOM 1230 OG SER B 30 -13.325 -2.568 -5.678 1.00 0.00 O ATOM 0 H SER B 30 -11.424 0.026 -5.002 1.00 0.00 H new ATOM 0 HA SER B 30 -14.194 -0.274 -5.628 1.00 0.00 H new ATOM 0 HB2 SER B 30 -12.026 -1.805 -4.276 1.00 0.00 H new ATOM 0 HB3 SER B 30 -13.642 -2.148 -3.689 1.00 0.00 H new ATOM 0 HG SER B 30 -13.057 -3.491 -5.486 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.364 0.692 -2.590 1.00 0.00 N ATOM 1237 CA ILE B 31 -13.888 1.266 -1.355 1.00 0.00 C ATOM 1238 C ILE B 31 -14.401 2.685 -1.582 1.00 0.00 C ATOM 1239 O ILE B 31 -15.260 3.172 -0.846 1.00 0.00 O ATOM 1240 CB ILE B 31 -12.810 1.273 -0.251 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.331 1.910 1.035 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -11.567 2.000 -0.731 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.248 1.010 1.827 1.00 0.00 C ATOM 0 H ILE B 31 -12.346 0.643 -2.633 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.721 0.641 -1.032 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.553 0.237 -0.031 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -12.484 2.192 1.660 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -13.863 2.828 0.786 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -10.816 1.997 0.059 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.169 1.497 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -11.822 3.029 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -14.579 1.529 2.727 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.114 0.748 1.220 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.714 0.102 2.107 1.00 0.00 H new