USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 565 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: A 69 THR OG1 : rot -144:sc= 1.5 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 1.04 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= -0.0224 (180deg=-0.202) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.13) USER MOD Single : A 20 LYS NZ :NH3+ 160:sc= 0.982 (180deg=0.155) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0486 K(o=-0.049,f=-1.3!) USER MOD Single : A 29 HIS : no HE2:sc= -0.561 K(o=-0.56,f=-5.4!) USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00909) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -172:sc=-0.00588 (180deg=-0.091) USER MOD Single : A 42 ASN : amide:sc= -0.864 K(o=-0.86,f=-5.3!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0151 K(o=-0.015,f=-2.9!) USER MOD Single : A 51 GLN :FLIP amide:sc= -1.22 F(o=-1.7,f=-1.2) USER MOD Single : A 58 THR OG1 : rot 129:sc= 1.08 USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= -0.0809 (180deg=-0.371) USER MOD Single : A 74 TYR OH : rot 70:sc= 0.862 USER MOD Single : A 76 TYR OH : rot 180:sc= 0.688 USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= 1.19 (180deg=0.641) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -12.783 -4.695 -10.965 1.00 0.00 N ATOM 245 CA GLU A 14 -13.202 -5.872 -10.226 1.00 0.00 C ATOM 246 C GLU A 14 -13.286 -5.601 -8.740 1.00 0.00 C ATOM 247 O GLU A 14 -14.238 -6.009 -8.080 1.00 0.00 O ATOM 248 CB GLU A 14 -12.268 -7.037 -10.481 1.00 0.00 C ATOM 249 CG GLU A 14 -12.254 -7.515 -11.911 1.00 0.00 C ATOM 250 CD GLU A 14 -11.349 -8.692 -12.092 1.00 0.00 C ATOM 251 OE1 GLU A 14 -11.758 -9.833 -11.774 1.00 0.00 O ATOM 252 OE2 GLU A 14 -10.213 -8.516 -12.557 1.00 0.00 O ATOM 0 HA GLU A 14 -14.199 -6.131 -10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.257 -6.747 -10.197 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.555 -7.867 -9.835 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.266 -7.784 -12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.930 -6.704 -12.563 1.00 0.00 H new ATOM 259 N ILE A 15 -12.321 -4.867 -8.219 1.00 0.00 N ATOM 260 CA ILE A 15 -12.245 -4.602 -6.783 1.00 0.00 C ATOM 261 C ILE A 15 -13.412 -3.756 -6.302 1.00 0.00 C ATOM 262 O ILE A 15 -13.804 -3.821 -5.136 1.00 0.00 O ATOM 263 CB ILE A 15 -10.883 -3.977 -6.380 1.00 0.00 C ATOM 264 CG1 ILE A 15 -10.645 -2.614 -7.044 1.00 0.00 C ATOM 265 CG2 ILE A 15 -9.759 -4.932 -6.732 1.00 0.00 C ATOM 266 CD1 ILE A 15 -11.206 -1.406 -6.316 1.00 0.00 C ATOM 0 H ILE A 15 -11.573 -4.440 -8.766 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.317 -5.566 -6.280 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.905 -3.809 -5.303 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.571 -2.474 -7.163 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.075 -2.641 -8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.804 -4.490 -6.448 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.898 -5.871 -6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.766 -5.122 -7.805 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.976 -0.502 -6.880 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.287 -1.508 -6.220 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.759 -1.339 -5.324 1.00 0.00 H new ATOM 278 N LYS A 16 -13.985 -2.999 -7.215 1.00 0.00 N ATOM 279 CA LYS A 16 -15.118 -2.167 -6.915 1.00 0.00 C ATOM 280 C LYS A 16 -16.349 -3.001 -6.629 1.00 0.00 C ATOM 281 O LYS A 16 -17.243 -2.557 -5.932 1.00 0.00 O ATOM 282 CB LYS A 16 -15.376 -1.161 -8.024 1.00 0.00 C ATOM 283 CG LYS A 16 -14.534 0.104 -7.939 1.00 0.00 C ATOM 284 CD LYS A 16 -14.900 1.085 -9.043 1.00 0.00 C ATOM 285 CE LYS A 16 -14.581 0.529 -10.422 1.00 0.00 C ATOM 286 NZ LYS A 16 -15.008 1.438 -11.500 1.00 0.00 N ATOM 0 H LYS A 16 -13.673 -2.948 -8.185 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.884 -1.604 -6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.189 -1.642 -8.984 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.430 -0.883 -8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.679 0.576 -6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.478 -0.154 -8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -15.963 1.320 -8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.358 2.019 -8.894 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.508 0.352 -10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.073 -0.436 -10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.771 1.019 -12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -16.036 1.587 -11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.519 2.350 -11.399 1.00 0.00 H new ATOM 300 N LYS A 17 -16.370 -4.205 -7.152 1.00 0.00 N ATOM 301 CA LYS A 17 -17.455 -5.133 -6.893 1.00 0.00 C ATOM 302 C LYS A 17 -17.049 -6.100 -5.783 1.00 0.00 C ATOM 303 O LYS A 17 -17.810 -6.369 -4.855 1.00 0.00 O ATOM 304 CB LYS A 17 -17.784 -5.932 -8.151 1.00 0.00 C ATOM 305 CG LYS A 17 -18.106 -5.086 -9.368 1.00 0.00 C ATOM 306 CD LYS A 17 -18.512 -5.955 -10.549 1.00 0.00 C ATOM 307 CE LYS A 17 -19.811 -6.698 -10.271 1.00 0.00 C ATOM 308 NZ LYS A 17 -20.956 -5.772 -10.098 1.00 0.00 N ATOM 0 H LYS A 17 -15.642 -4.571 -7.766 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.333 -4.564 -6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.939 -6.578 -8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.633 -6.582 -7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -18.912 -4.392 -9.129 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -17.237 -4.485 -9.637 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -18.629 -5.333 -11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.720 -6.672 -10.764 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -20.020 -7.383 -11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -19.696 -7.304 -9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -21.846 -6.307 -10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -20.886 -5.302 -9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -20.940 -5.056 -10.852 1.00 0.00 H new ATOM 322 N LYS A 18 -15.825 -6.583 -5.887 1.00 0.00 N ATOM 323 CA LYS A 18 -15.261 -7.578 -4.996 1.00 0.00 C ATOM 324 C LYS A 18 -15.182 -7.051 -3.574 1.00 0.00 C ATOM 325 O LYS A 18 -15.779 -7.612 -2.657 1.00 0.00 O ATOM 326 CB LYS A 18 -13.871 -7.968 -5.528 1.00 0.00 C ATOM 327 CG LYS A 18 -13.099 -9.002 -4.726 1.00 0.00 C ATOM 328 CD LYS A 18 -11.785 -9.311 -5.424 1.00 0.00 C ATOM 329 CE LYS A 18 -10.922 -10.293 -4.649 1.00 0.00 C ATOM 330 NZ LYS A 18 -9.686 -10.618 -5.392 1.00 0.00 N ATOM 0 H LYS A 18 -15.177 -6.284 -6.616 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.901 -8.460 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.989 -8.344 -6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.265 -7.064 -5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.909 -8.629 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.690 -9.912 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.992 -9.719 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.230 -8.384 -5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.665 -9.869 -3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.486 -11.206 -4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.182 -11.389 -4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.930 -10.917 -6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.075 -9.778 -5.434 1.00 0.00 H new ATOM 344 N PHE A 19 -14.498 -5.948 -3.408 1.00 0.00 N ATOM 345 CA PHE A 19 -14.306 -5.360 -2.085 1.00 0.00 C ATOM 346 C PHE A 19 -15.319 -4.258 -1.864 1.00 0.00 C ATOM 347 O PHE A 19 -15.517 -3.781 -0.739 1.00 0.00 O ATOM 348 CB PHE A 19 -12.882 -4.799 -1.942 1.00 0.00 C ATOM 349 CG PHE A 19 -11.795 -5.813 -2.186 1.00 0.00 C ATOM 350 CD1 PHE A 19 -11.581 -6.844 -1.297 1.00 0.00 C ATOM 351 CD2 PHE A 19 -11.004 -5.743 -3.318 1.00 0.00 C ATOM 352 CE1 PHE A 19 -10.597 -7.783 -1.524 1.00 0.00 C ATOM 353 CE2 PHE A 19 -10.019 -6.684 -3.550 1.00 0.00 C ATOM 354 CZ PHE A 19 -9.818 -7.704 -2.649 1.00 0.00 C ATOM 0 H PHE A 19 -14.059 -5.429 -4.169 1.00 0.00 H new ATOM 0 HA PHE A 19 -14.447 -6.138 -1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.757 -3.972 -2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.763 -4.389 -0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.193 -6.918 -0.410 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.158 -4.944 -4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.440 -8.582 -0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.408 -6.619 -4.438 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.049 -8.440 -2.828 1.00 0.00 H new ATOM 364 N LYS A 20 -15.959 -3.873 -2.955 1.00 0.00 N ATOM 365 CA LYS A 20 -16.939 -2.805 -2.993 1.00 0.00 C ATOM 366 C LYS A 20 -16.324 -1.491 -2.611 1.00 0.00 C ATOM 367 O LYS A 20 -16.409 -1.038 -1.481 1.00 0.00 O ATOM 368 CB LYS A 20 -18.224 -3.137 -2.229 1.00 0.00 C ATOM 369 CG LYS A 20 -18.921 -4.332 -2.827 1.00 0.00 C ATOM 370 CD LYS A 20 -20.084 -4.824 -2.008 1.00 0.00 C ATOM 371 CE LYS A 20 -20.645 -6.102 -2.621 1.00 0.00 C ATOM 372 NZ LYS A 20 -19.579 -7.129 -2.795 1.00 0.00 N ATOM 0 H LYS A 20 -15.805 -4.309 -3.864 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.266 -2.702 -4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.987 -3.336 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.893 -2.277 -2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.274 -4.074 -3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.201 -5.142 -2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.765 -5.012 -0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -20.860 -4.059 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.435 -6.498 -1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -21.098 -5.877 -3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.014 -8.069 -2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.031 -6.918 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.947 -7.117 -1.969 1.00 0.00 H new ATOM 386 N LEU A 21 -15.624 -0.950 -3.557 1.00 0.00 N ATOM 387 CA LEU A 21 -14.904 0.298 -3.421 1.00 0.00 C ATOM 388 C LEU A 21 -15.402 1.282 -4.444 1.00 0.00 C ATOM 389 O LEU A 21 -14.747 2.269 -4.752 1.00 0.00 O ATOM 390 CB LEU A 21 -13.413 0.034 -3.593 1.00 0.00 C ATOM 391 CG LEU A 21 -12.767 -0.779 -2.477 1.00 0.00 C ATOM 392 CD1 LEU A 21 -11.413 -1.258 -2.907 1.00 0.00 C ATOM 393 CD2 LEU A 21 -12.637 0.070 -1.225 1.00 0.00 C ATOM 0 H LEU A 21 -15.528 -1.371 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.071 0.724 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.259 -0.488 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.897 0.991 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.397 -1.641 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.960 -1.838 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.513 -1.884 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.780 -0.401 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.175 -0.519 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.018 0.941 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.626 0.398 -0.904 1.00 0.00 H new ATOM 405 N THR A 22 -16.564 0.975 -4.987 1.00 0.00 N ATOM 406 CA THR A 22 -17.215 1.825 -5.939 1.00 0.00 C ATOM 407 C THR A 22 -17.530 3.180 -5.285 1.00 0.00 C ATOM 408 O THR A 22 -18.052 3.243 -4.156 1.00 0.00 O ATOM 409 CB THR A 22 -18.498 1.135 -6.513 1.00 0.00 C ATOM 410 OG1 THR A 22 -19.210 2.006 -7.400 1.00 0.00 O ATOM 411 CG2 THR A 22 -19.428 0.643 -5.406 1.00 0.00 C ATOM 0 H THR A 22 -17.079 0.121 -4.772 1.00 0.00 H new ATOM 0 HA THR A 22 -16.549 2.003 -6.784 1.00 0.00 H new ATOM 0 HB THR A 22 -18.156 0.267 -7.077 1.00 0.00 H new ATOM 0 HG1 THR A 22 -20.004 1.546 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 22 -20.305 0.171 -5.850 1.00 0.00 H new ATOM 0 HG22 THR A 22 -18.902 -0.081 -4.784 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.742 1.487 -4.793 1.00 0.00 H new ATOM 419 N GLY A 23 -17.185 4.233 -5.964 1.00 0.00 N ATOM 420 CA GLY A 23 -17.329 5.547 -5.422 1.00 0.00 C ATOM 421 C GLY A 23 -15.965 6.156 -5.199 1.00 0.00 C ATOM 422 O GLY A 23 -14.957 5.533 -5.547 1.00 0.00 O ATOM 0 H GLY A 23 -16.797 4.204 -6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.910 6.170 -6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.878 5.505 -4.481 1.00 0.00 H new ATOM 426 N PRO A 24 -15.879 7.364 -4.643 1.00 0.00 N ATOM 427 CA PRO A 24 -14.609 8.020 -4.406 1.00 0.00 C ATOM 428 C PRO A 24 -13.947 7.516 -3.126 1.00 0.00 C ATOM 429 O PRO A 24 -14.481 7.707 -2.021 1.00 0.00 O ATOM 430 CB PRO A 24 -14.982 9.511 -4.266 1.00 0.00 C ATOM 431 CG PRO A 24 -16.471 9.580 -4.435 1.00 0.00 C ATOM 432 CD PRO A 24 -16.996 8.194 -4.208 1.00 0.00 C ATOM 0 HA PRO A 24 -13.894 7.829 -5.206 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.681 9.899 -3.293 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.475 10.113 -5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.909 10.281 -3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.731 9.934 -5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.248 8.021 -3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.897 8.000 -4.789 1.00 0.00 H new ATOM 440 N ILE A 25 -12.816 6.870 -3.262 1.00 0.00 N ATOM 441 CA ILE A 25 -12.104 6.345 -2.117 1.00 0.00 C ATOM 442 C ILE A 25 -10.811 7.115 -1.852 1.00 0.00 C ATOM 443 O ILE A 25 -10.174 7.620 -2.782 1.00 0.00 O ATOM 444 CB ILE A 25 -11.878 4.784 -2.197 1.00 0.00 C ATOM 445 CG1 ILE A 25 -11.193 4.311 -3.513 1.00 0.00 C ATOM 446 CG2 ILE A 25 -13.193 4.042 -1.993 1.00 0.00 C ATOM 447 CD1 ILE A 25 -9.699 4.571 -3.607 1.00 0.00 C ATOM 0 H ILE A 25 -12.364 6.693 -4.159 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.748 6.502 -1.252 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.186 4.543 -1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.365 3.241 -3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.683 4.803 -4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -13.018 2.968 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.603 4.290 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.901 4.337 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.325 4.203 -4.562 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.511 5.642 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.188 4.055 -2.794 1.00 0.00 H new ATOM 459 N GLN A 26 -10.475 7.251 -0.590 1.00 0.00 N ATOM 460 CA GLN A 26 -9.280 7.962 -0.155 1.00 0.00 C ATOM 461 C GLN A 26 -8.343 7.018 0.581 1.00 0.00 C ATOM 462 O GLN A 26 -8.776 6.292 1.488 1.00 0.00 O ATOM 463 CB GLN A 26 -9.663 9.088 0.794 1.00 0.00 C ATOM 464 CG GLN A 26 -10.485 10.201 0.180 1.00 0.00 C ATOM 465 CD GLN A 26 -11.004 11.150 1.236 1.00 0.00 C ATOM 466 OE1 GLN A 26 -11.270 10.746 2.368 1.00 0.00 O ATOM 467 NE2 GLN A 26 -11.153 12.397 0.896 1.00 0.00 N ATOM 0 H GLN A 26 -11.026 6.869 0.178 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.783 8.364 -1.038 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.222 8.664 1.628 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.751 9.518 1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.877 10.751 -0.538 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.323 9.775 -0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.923 12.698 -0.051 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.500 13.073 1.576 1.00 0.00 H new ATOM 476 N VAL A 27 -7.094 7.016 0.196 1.00 0.00 N ATOM 477 CA VAL A 27 -6.088 6.203 0.851 1.00 0.00 C ATOM 478 C VAL A 27 -5.757 6.776 2.245 1.00 0.00 C ATOM 479 O VAL A 27 -5.773 7.997 2.447 1.00 0.00 O ATOM 480 CB VAL A 27 -4.797 6.070 -0.024 1.00 0.00 C ATOM 481 CG1 VAL A 27 -4.097 7.391 -0.232 1.00 0.00 C ATOM 482 CG2 VAL A 27 -3.850 5.079 0.563 1.00 0.00 C ATOM 0 H VAL A 27 -6.740 7.576 -0.580 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.497 5.201 0.978 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.126 5.716 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.209 7.240 -0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.771 8.085 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.805 7.804 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.962 5.007 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.561 5.400 1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.333 4.104 0.621 1.00 0.00 H new ATOM 492 N ILE A 28 -5.490 5.912 3.197 1.00 0.00 N ATOM 493 CA ILE A 28 -5.219 6.352 4.559 1.00 0.00 C ATOM 494 C ILE A 28 -3.700 6.468 4.808 1.00 0.00 C ATOM 495 O ILE A 28 -3.221 7.461 5.370 1.00 0.00 O ATOM 496 CB ILE A 28 -5.844 5.360 5.594 1.00 0.00 C ATOM 497 CG1 ILE A 28 -7.352 5.168 5.336 1.00 0.00 C ATOM 498 CG2 ILE A 28 -5.610 5.834 7.025 1.00 0.00 C ATOM 499 CD1 ILE A 28 -8.183 6.435 5.442 1.00 0.00 C ATOM 0 H ILE A 28 -5.453 4.902 3.061 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.673 7.334 4.687 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.346 4.399 5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.485 4.745 4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.738 4.437 6.047 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.056 5.124 7.721 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.539 5.904 7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.068 6.814 7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.229 6.201 5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.087 6.850 6.445 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.830 7.164 4.712 1.00 0.00 H new ATOM 511 N HIS A 29 -2.962 5.467 4.362 1.00 0.00 N ATOM 512 CA HIS A 29 -1.501 5.386 4.541 1.00 0.00 C ATOM 513 C HIS A 29 -0.920 4.544 3.447 1.00 0.00 C ATOM 514 O HIS A 29 -1.652 4.001 2.613 1.00 0.00 O ATOM 515 CB HIS A 29 -1.111 4.684 5.867 1.00 0.00 C ATOM 516 CG HIS A 29 -1.233 5.469 7.122 1.00 0.00 C ATOM 517 ND1 HIS A 29 -0.236 6.276 7.606 1.00 0.00 N ATOM 518 CD2 HIS A 29 -2.227 5.532 8.017 1.00 0.00 C ATOM 519 CE1 HIS A 29 -0.616 6.808 8.740 1.00 0.00 C ATOM 520 NE2 HIS A 29 -1.820 6.374 9.013 1.00 0.00 N ATOM 0 H HIS A 29 -3.354 4.672 3.858 1.00 0.00 H new ATOM 0 HA HIS A 29 -1.126 6.410 4.537 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -1.727 3.791 5.968 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.077 4.350 5.779 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.663 6.437 7.152 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.173 5.014 7.962 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.036 7.488 9.346 1.00 0.00 H new ATOM 529 N LEU A 30 0.354 4.388 3.480 1.00 0.00 N ATOM 530 CA LEU A 30 1.031 3.513 2.612 1.00 0.00 C ATOM 531 C LEU A 30 1.491 2.330 3.423 1.00 0.00 C ATOM 532 O LEU A 30 1.930 2.460 4.577 1.00 0.00 O ATOM 533 CB LEU A 30 2.255 4.158 1.916 1.00 0.00 C ATOM 534 CG LEU A 30 2.013 5.323 0.939 1.00 0.00 C ATOM 535 CD1 LEU A 30 1.664 6.606 1.667 1.00 0.00 C ATOM 536 CD2 LEU A 30 3.223 5.525 0.047 1.00 0.00 C ATOM 0 H LEU A 30 0.965 4.881 4.131 1.00 0.00 H new ATOM 0 HA LEU A 30 0.341 3.228 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.931 4.513 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.780 3.372 1.372 1.00 0.00 H new ATOM 0 HG LEU A 30 1.157 5.060 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.501 7.403 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.757 6.457 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.483 6.882 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.036 6.352 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.094 5.752 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.410 4.616 -0.524 1.00 0.00 H new ATOM 548 N ALA A 31 1.317 1.204 2.878 1.00 0.00 N ATOM 549 CA ALA A 31 1.818 0.012 3.444 1.00 0.00 C ATOM 550 C ALA A 31 2.974 -0.461 2.577 1.00 0.00 C ATOM 551 O ALA A 31 3.276 0.134 1.554 1.00 0.00 O ATOM 552 CB ALA A 31 0.713 -1.017 3.522 1.00 0.00 C ATOM 0 H ALA A 31 0.810 1.071 2.003 1.00 0.00 H new ATOM 0 HA ALA A 31 2.178 0.175 4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.102 -1.936 3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.097 -0.635 4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.336 -1.223 2.520 1.00 0.00 H new ATOM 558 N LYS A 32 3.613 -1.486 2.966 1.00 0.00 N ATOM 559 CA LYS A 32 4.696 -2.006 2.236 1.00 0.00 C ATOM 560 C LYS A 32 4.712 -3.453 2.512 1.00 0.00 C ATOM 561 O LYS A 32 5.024 -3.897 3.621 1.00 0.00 O ATOM 562 CB LYS A 32 6.043 -1.294 2.545 1.00 0.00 C ATOM 563 CG LYS A 32 6.545 -1.405 3.978 1.00 0.00 C ATOM 564 CD LYS A 32 7.755 -0.524 4.227 1.00 0.00 C ATOM 565 CE LYS A 32 8.904 -0.805 3.267 1.00 0.00 C ATOM 566 NZ LYS A 32 9.400 -2.191 3.359 1.00 0.00 N ATOM 0 H LYS A 32 3.396 -2.001 3.819 1.00 0.00 H new ATOM 0 HA LYS A 32 4.570 -1.824 1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.806 -1.701 1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.937 -0.237 2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.746 -1.126 4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.802 -2.442 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.461 0.522 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.100 -0.671 5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.575 -0.609 2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.723 -0.116 3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.213 -2.312 2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.694 -2.390 4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.644 -2.849 3.084 1.00 0.00 H new ATOM 580 N ALA A 33 4.239 -4.163 1.577 1.00 0.00 N ATOM 581 CA ALA A 33 4.153 -5.574 1.675 1.00 0.00 C ATOM 582 C ALA A 33 5.538 -6.134 1.671 1.00 0.00 C ATOM 583 O ALA A 33 6.336 -5.822 0.786 1.00 0.00 O ATOM 584 CB ALA A 33 3.294 -6.128 0.555 1.00 0.00 C ATOM 0 H ALA A 33 3.890 -3.782 0.697 1.00 0.00 H new ATOM 0 HA ALA A 33 3.669 -5.868 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.237 -7.213 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.292 -5.705 0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.735 -5.865 -0.406 1.00 0.00 H new ATOM 590 N CYS A 34 5.856 -6.859 2.689 1.00 0.00 N ATOM 591 CA CYS A 34 7.156 -7.425 2.812 1.00 0.00 C ATOM 592 C CYS A 34 7.073 -8.867 2.810 1.00 0.00 C ATOM 593 O CYS A 34 6.046 -9.438 3.206 1.00 0.00 O ATOM 594 CB CYS A 34 7.862 -7.055 4.127 1.00 0.00 C ATOM 595 SG CYS A 34 9.508 -7.923 4.352 1.00 0.00 S ATOM 0 H CYS A 34 5.223 -7.076 3.459 1.00 0.00 H new ATOM 0 HA CYS A 34 7.719 -7.029 1.967 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.020 -5.977 4.156 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.210 -7.304 4.964 1.00 0.00 H new ATOM 600 N CYS A 35 8.156 -9.458 2.360 1.00 0.00 N ATOM 601 CA CYS A 35 8.439 -10.815 2.586 1.00 0.00 C ATOM 602 C CYS A 35 7.480 -11.717 1.763 1.00 0.00 C ATOM 603 O CYS A 35 6.620 -11.221 1.018 1.00 0.00 O ATOM 604 CB CYS A 35 8.323 -11.044 4.124 1.00 0.00 C ATOM 605 SG CYS A 35 9.161 -9.775 5.287 1.00 0.00 S ATOM 0 H CYS A 35 8.870 -8.975 1.814 1.00 0.00 H new ATOM 0 HA CYS A 35 9.442 -11.083 2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.263 -11.080 4.377 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.738 -12.027 4.348 1.00 0.00 H new ATOM 610 N ASP A 36 7.653 -13.008 1.834 1.00 0.00 N ATOM 611 CA ASP A 36 6.748 -13.895 1.127 1.00 0.00 C ATOM 612 C ASP A 36 5.443 -14.039 1.886 1.00 0.00 C ATOM 613 O ASP A 36 5.339 -14.729 2.917 1.00 0.00 O ATOM 614 CB ASP A 36 7.370 -15.261 0.729 1.00 0.00 C ATOM 615 CG ASP A 36 7.872 -16.112 1.868 1.00 0.00 C ATOM 616 OD1 ASP A 36 9.027 -15.918 2.296 1.00 0.00 O ATOM 617 OD2 ASP A 36 7.145 -17.033 2.329 1.00 0.00 O ATOM 0 H ASP A 36 8.394 -13.470 2.361 1.00 0.00 H new ATOM 0 HA ASP A 36 6.534 -13.419 0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.623 -15.831 0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.199 -15.076 0.046 1.00 0.00 H new ATOM 622 N VAL A 37 4.476 -13.310 1.416 1.00 0.00 N ATOM 623 CA VAL A 37 3.150 -13.281 1.996 1.00 0.00 C ATOM 624 C VAL A 37 2.301 -14.375 1.395 1.00 0.00 C ATOM 625 O VAL A 37 2.639 -14.904 0.317 1.00 0.00 O ATOM 626 CB VAL A 37 2.435 -11.922 1.814 1.00 0.00 C ATOM 627 CG1 VAL A 37 3.295 -10.774 2.294 1.00 0.00 C ATOM 628 CG2 VAL A 37 1.976 -11.712 0.390 1.00 0.00 C ATOM 0 H VAL A 37 4.580 -12.703 0.603 1.00 0.00 H new ATOM 0 HA VAL A 37 3.277 -13.438 3.067 1.00 0.00 H new ATOM 0 HB VAL A 37 1.541 -11.946 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.761 -9.835 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.520 -10.906 3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.225 -10.753 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.479 -10.745 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.838 -11.736 -0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.280 -12.503 0.112 1.00 0.00 H new ATOM 638 N LYS A 38 1.275 -14.785 2.113 1.00 0.00 N ATOM 639 CA LYS A 38 0.363 -15.799 1.606 1.00 0.00 C ATOM 640 C LYS A 38 -0.300 -15.274 0.350 1.00 0.00 C ATOM 641 O LYS A 38 -0.244 -15.912 -0.698 1.00 0.00 O ATOM 642 CB LYS A 38 -0.696 -16.177 2.639 1.00 0.00 C ATOM 643 CG LYS A 38 -0.138 -16.459 4.015 1.00 0.00 C ATOM 644 CD LYS A 38 0.956 -17.517 4.003 1.00 0.00 C ATOM 645 CE LYS A 38 1.484 -17.755 5.405 1.00 0.00 C ATOM 646 NZ LYS A 38 2.628 -18.691 5.442 1.00 0.00 N ATOM 0 H LYS A 38 1.050 -14.436 3.045 1.00 0.00 H new ATOM 0 HA LYS A 38 0.934 -16.700 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.423 -15.368 2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.233 -17.058 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.260 -15.536 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.946 -16.786 4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.564 -18.448 3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.770 -17.199 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.787 -16.802 5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.680 -18.148 6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.945 -18.814 6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.336 -19.611 5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.409 -18.307 4.872 1.00 0.00 H new ATOM 660 N GLY A 39 -0.884 -14.088 0.452 1.00 0.00 N ATOM 661 CA GLY A 39 -1.465 -13.456 -0.714 1.00 0.00 C ATOM 662 C GLY A 39 -2.620 -14.223 -1.347 1.00 0.00 C ATOM 663 O GLY A 39 -2.634 -14.415 -2.570 1.00 0.00 O ATOM 0 H GLY A 39 -0.965 -13.555 1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.817 -12.463 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.685 -13.319 -1.463 1.00 0.00 H new ATOM 667 N GLY A 40 -3.514 -14.743 -0.524 1.00 0.00 N ATOM 668 CA GLY A 40 -4.679 -15.516 -1.008 1.00 0.00 C ATOM 669 C GLY A 40 -5.593 -14.736 -1.970 1.00 0.00 C ATOM 670 O GLY A 40 -5.354 -13.576 -2.250 1.00 0.00 O ATOM 0 H GLY A 40 -3.468 -14.651 0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.322 -16.415 -1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.267 -15.843 -0.150 1.00 0.00 H new ATOM 674 N LYS A 41 -6.666 -15.360 -2.435 1.00 0.00 N ATOM 675 CA LYS A 41 -7.553 -14.752 -3.446 1.00 0.00 C ATOM 676 C LYS A 41 -8.265 -13.481 -2.986 1.00 0.00 C ATOM 677 O LYS A 41 -8.603 -12.630 -3.809 1.00 0.00 O ATOM 678 CB LYS A 41 -8.550 -15.757 -4.020 1.00 0.00 C ATOM 679 CG LYS A 41 -7.904 -16.868 -4.832 1.00 0.00 C ATOM 680 CD LYS A 41 -7.078 -16.301 -5.980 1.00 0.00 C ATOM 681 CE LYS A 41 -6.490 -17.395 -6.863 1.00 0.00 C ATOM 682 NZ LYS A 41 -5.634 -18.335 -6.110 1.00 0.00 N ATOM 0 H LYS A 41 -6.953 -16.291 -2.134 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.877 -14.441 -4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.116 -16.201 -3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.264 -15.227 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.267 -17.472 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.675 -17.529 -5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.703 -15.645 -6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.271 -15.689 -5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.300 -17.948 -7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.906 -16.937 -7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.153 -18.975 -6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.925 -17.801 -5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.221 -18.892 -5.457 1.00 0.00 H new ATOM 696 N ASN A 42 -8.506 -13.347 -1.700 1.00 0.00 N ATOM 697 CA ASN A 42 -9.118 -12.113 -1.181 1.00 0.00 C ATOM 698 C ASN A 42 -8.026 -11.134 -0.815 1.00 0.00 C ATOM 699 O ASN A 42 -8.263 -9.944 -0.658 1.00 0.00 O ATOM 700 CB ASN A 42 -10.039 -12.359 0.045 1.00 0.00 C ATOM 701 CG ASN A 42 -9.316 -12.905 1.283 1.00 0.00 C ATOM 702 OD1 ASN A 42 -8.316 -13.605 1.176 1.00 0.00 O ATOM 703 ND2 ASN A 42 -9.832 -12.616 2.456 1.00 0.00 N ATOM 0 H ASN A 42 -8.298 -14.054 -0.995 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.751 -11.707 -1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.529 -11.422 0.310 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.824 -13.059 -0.241 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.399 -12.977 3.306 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.665 -12.031 2.516 1.00 0.00 H new ATOM 710 N GLU A 43 -6.826 -11.639 -0.748 1.00 0.00 N ATOM 711 CA GLU A 43 -5.692 -10.873 -0.360 1.00 0.00 C ATOM 712 C GLU A 43 -5.030 -10.292 -1.592 1.00 0.00 C ATOM 713 O GLU A 43 -5.269 -10.758 -2.721 1.00 0.00 O ATOM 714 CB GLU A 43 -4.718 -11.728 0.464 1.00 0.00 C ATOM 715 CG GLU A 43 -5.333 -12.270 1.751 1.00 0.00 C ATOM 716 CD GLU A 43 -4.405 -13.162 2.534 1.00 0.00 C ATOM 717 OE1 GLU A 43 -4.325 -14.368 2.235 1.00 0.00 O ATOM 718 OE2 GLU A 43 -3.754 -12.687 3.484 1.00 0.00 O ATOM 0 H GLU A 43 -6.613 -12.612 -0.967 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.010 -10.048 0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.373 -12.563 -0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.841 -11.130 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.635 -11.433 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.237 -12.827 1.505 1.00 0.00 H new ATOM 725 N LEU A 44 -4.252 -9.265 -1.400 1.00 0.00 N ATOM 726 CA LEU A 44 -3.627 -8.576 -2.495 1.00 0.00 C ATOM 727 C LEU A 44 -2.556 -9.437 -3.093 1.00 0.00 C ATOM 728 O LEU A 44 -1.747 -10.045 -2.389 1.00 0.00 O ATOM 729 CB LEU A 44 -3.019 -7.245 -2.034 1.00 0.00 C ATOM 730 CG LEU A 44 -3.060 -6.046 -3.014 1.00 0.00 C ATOM 731 CD1 LEU A 44 -2.605 -4.785 -2.317 1.00 0.00 C ATOM 732 CD2 LEU A 44 -2.206 -6.276 -4.242 1.00 0.00 C ATOM 0 H LEU A 44 -4.033 -8.881 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.390 -8.365 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.529 -6.945 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.976 -7.427 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.094 -5.940 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.639 -3.950 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.263 -4.578 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.584 -4.916 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.269 -5.407 -4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.170 -6.429 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.564 -7.158 -4.774 1.00 0.00 H new ATOM 744 N SER A 45 -2.529 -9.435 -4.370 1.00 0.00 N ATOM 745 CA SER A 45 -1.570 -10.168 -5.155 1.00 0.00 C ATOM 746 C SER A 45 -0.264 -9.351 -5.265 1.00 0.00 C ATOM 747 O SER A 45 0.343 -9.250 -6.332 1.00 0.00 O ATOM 748 CB SER A 45 -2.167 -10.401 -6.543 1.00 0.00 C ATOM 749 OG SER A 45 -3.478 -10.972 -6.452 1.00 0.00 O ATOM 0 H SER A 45 -3.194 -8.907 -4.935 1.00 0.00 H new ATOM 0 HA SER A 45 -1.342 -11.125 -4.686 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.215 -9.456 -7.085 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.517 -11.064 -7.115 1.00 0.00 H new ATOM 0 HG SER A 45 -3.838 -11.109 -7.353 1.00 0.00 H new ATOM 755 N PHE A 46 0.159 -8.783 -4.151 1.00 0.00 N ATOM 756 CA PHE A 46 1.373 -8.010 -4.094 1.00 0.00 C ATOM 757 C PHE A 46 2.560 -8.916 -3.877 1.00 0.00 C ATOM 758 O PHE A 46 2.473 -10.131 -4.088 1.00 0.00 O ATOM 759 CB PHE A 46 1.305 -6.885 -3.035 1.00 0.00 C ATOM 760 CG PHE A 46 0.837 -7.293 -1.644 1.00 0.00 C ATOM 761 CD1 PHE A 46 1.258 -8.455 -1.041 1.00 0.00 C ATOM 762 CD2 PHE A 46 -0.015 -6.484 -0.947 1.00 0.00 C ATOM 763 CE1 PHE A 46 0.826 -8.787 0.217 1.00 0.00 C ATOM 764 CE2 PHE A 46 -0.447 -6.823 0.317 1.00 0.00 C ATOM 765 CZ PHE A 46 -0.021 -7.980 0.894 1.00 0.00 C ATOM 0 H PHE A 46 -0.335 -8.848 -3.261 1.00 0.00 H new ATOM 0 HA PHE A 46 1.495 -7.511 -5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.296 -6.440 -2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.638 -6.107 -3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.936 -9.113 -1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.356 -5.562 -1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.167 -9.705 0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.123 -6.171 0.850 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.357 -8.251 1.884 1.00 0.00 H new ATOM 775 N LYS A 47 3.634 -8.359 -3.436 1.00 0.00 N ATOM 776 CA LYS A 47 4.831 -9.054 -3.326 1.00 0.00 C ATOM 777 C LYS A 47 5.585 -8.539 -2.102 1.00 0.00 C ATOM 778 O LYS A 47 5.117 -7.687 -1.381 1.00 0.00 O ATOM 779 CB LYS A 47 5.626 -8.849 -4.613 1.00 0.00 C ATOM 780 CG LYS A 47 6.770 -9.788 -4.870 1.00 0.00 C ATOM 781 CD LYS A 47 7.552 -9.271 -6.040 1.00 0.00 C ATOM 782 CE LYS A 47 8.868 -10.012 -6.217 1.00 0.00 C ATOM 783 NZ LYS A 47 9.672 -9.471 -7.336 1.00 0.00 N ATOM 0 H LYS A 47 3.687 -7.384 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 47 4.663 -10.123 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.934 -8.921 -5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.018 -7.832 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.408 -9.859 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.398 -10.792 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.955 -9.370 -6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.750 -8.208 -5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.445 -9.949 -5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.666 -11.068 -6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.559 -10.008 -7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.134 -9.555 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.888 -8.470 -7.156 1.00 0.00 H new ATOM 797 N GLN A 48 6.752 -8.990 -2.018 1.00 0.00 N ATOM 798 CA GLN A 48 7.688 -8.909 -0.893 1.00 0.00 C ATOM 799 C GLN A 48 8.348 -7.523 -0.712 1.00 0.00 C ATOM 800 O GLN A 48 8.994 -7.230 0.316 1.00 0.00 O ATOM 801 CB GLN A 48 8.724 -10.039 -1.109 1.00 0.00 C ATOM 802 CG GLN A 48 10.091 -9.818 -0.530 1.00 0.00 C ATOM 803 CD GLN A 48 10.927 -11.070 -0.579 1.00 0.00 C ATOM 804 OE1 GLN A 48 10.914 -11.871 0.350 1.00 0.00 O ATOM 805 NE2 GLN A 48 11.628 -11.275 -1.652 1.00 0.00 N ATOM 0 H GLN A 48 7.167 -9.492 -2.803 1.00 0.00 H new ATOM 0 HA GLN A 48 7.146 -9.041 0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.319 -10.958 -0.685 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.831 -10.203 -2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.595 -9.023 -1.080 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.999 -9.483 0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.617 -10.589 -2.407 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.189 -12.122 -1.740 1.00 0.00 H new ATOM 814 N GLY A 49 8.136 -6.693 -1.650 1.00 0.00 N ATOM 815 CA GLY A 49 8.742 -5.385 -1.660 1.00 0.00 C ATOM 816 C GLY A 49 7.831 -4.378 -2.283 1.00 0.00 C ATOM 817 O GLY A 49 8.264 -3.324 -2.751 1.00 0.00 O ATOM 0 H GLY A 49 7.534 -6.883 -2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.981 -5.083 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.682 -5.420 -2.210 1.00 0.00 H new ATOM 821 N GLU A 50 6.581 -4.719 -2.322 1.00 0.00 N ATOM 822 CA GLU A 50 5.586 -3.913 -2.962 1.00 0.00 C ATOM 823 C GLU A 50 5.121 -2.763 -2.098 1.00 0.00 C ATOM 824 O GLU A 50 4.718 -2.947 -0.941 1.00 0.00 O ATOM 825 CB GLU A 50 4.432 -4.775 -3.420 1.00 0.00 C ATOM 826 CG GLU A 50 4.724 -5.526 -4.697 1.00 0.00 C ATOM 827 CD GLU A 50 5.008 -4.606 -5.850 1.00 0.00 C ATOM 828 OE1 GLU A 50 4.056 -4.167 -6.508 1.00 0.00 O ATOM 829 OE2 GLU A 50 6.188 -4.298 -6.109 1.00 0.00 O ATOM 0 H GLU A 50 6.217 -5.576 -1.905 1.00 0.00 H new ATOM 0 HA GLU A 50 6.046 -3.457 -3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.185 -5.489 -2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.553 -4.147 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.579 -6.184 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.874 -6.162 -4.944 1.00 0.00 H new ATOM 836 N GLN A 51 5.132 -1.601 -2.682 1.00 0.00 N ATOM 837 CA GLN A 51 4.757 -0.410 -2.028 1.00 0.00 C ATOM 838 C GLN A 51 3.335 -0.174 -2.398 1.00 0.00 C ATOM 839 O GLN A 51 2.986 0.254 -3.502 1.00 0.00 O ATOM 840 CB GLN A 51 5.636 0.774 -2.452 1.00 0.00 C ATOM 841 CG GLN A 51 5.377 2.043 -1.648 1.00 0.00 C ATOM 842 CD GLN A 51 5.739 1.880 -0.180 1.00 0.00 C ATOM 843 OE1 GLN A 51 5.031 2.554 0.678 1.00 0.00 O flip ATOM 844 NE2 GLN A 51 6.656 1.137 0.175 1.00 0.00 N flip ATOM 0 H GLN A 51 5.412 -1.466 -3.653 1.00 0.00 H new ATOM 0 HA GLN A 51 4.884 -0.503 -0.949 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.684 0.494 -2.346 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.467 0.982 -3.508 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.954 2.864 -2.073 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.325 2.316 -1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.193 0.621 -0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.877 1.038 1.166 1.00 0.00 H new ATOM 853 N ILE A 52 2.559 -0.577 -1.525 1.00 0.00 N ATOM 854 CA ILE A 52 1.135 -0.505 -1.609 1.00 0.00 C ATOM 855 C ILE A 52 0.553 0.580 -0.719 1.00 0.00 C ATOM 856 O ILE A 52 1.188 1.060 0.181 1.00 0.00 O ATOM 857 CB ILE A 52 0.513 -1.831 -1.228 1.00 0.00 C ATOM 858 CG1 ILE A 52 0.903 -2.203 0.165 1.00 0.00 C ATOM 859 CG2 ILE A 52 0.941 -2.911 -2.186 1.00 0.00 C ATOM 860 CD1 ILE A 52 0.262 -3.438 0.591 1.00 0.00 C ATOM 0 H ILE A 52 2.886 -1.002 -0.657 1.00 0.00 H new ATOM 0 HA ILE A 52 0.901 -0.260 -2.645 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.571 -1.729 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.986 -2.316 0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.630 -1.397 0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.484 -3.857 -1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.623 -2.649 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.026 -3.010 -2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.570 -3.676 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.821 -3.316 0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.556 -4.249 -0.076 1.00 0.00 H new ATOM 872 N GLU A 53 -0.624 0.991 -1.009 1.00 0.00 N ATOM 873 CA GLU A 53 -1.289 1.964 -0.183 1.00 0.00 C ATOM 874 C GLU A 53 -2.572 1.361 0.346 1.00 0.00 C ATOM 875 O GLU A 53 -3.280 0.707 -0.401 1.00 0.00 O ATOM 876 CB GLU A 53 -1.623 3.210 -0.981 1.00 0.00 C ATOM 877 CG GLU A 53 -0.467 3.899 -1.658 1.00 0.00 C ATOM 878 CD GLU A 53 -0.930 5.073 -2.473 1.00 0.00 C ATOM 879 OE1 GLU A 53 -1.398 4.868 -3.628 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.835 6.221 -1.997 1.00 0.00 O ATOM 0 H GLU A 53 -1.162 0.675 -1.816 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.627 2.241 0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.355 2.942 -1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.104 3.925 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.249 4.235 -0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.055 3.190 -2.301 1.00 0.00 H new ATOM 887 N ILE A 54 -2.867 1.549 1.621 1.00 0.00 N ATOM 888 CA ILE A 54 -4.137 1.031 2.158 1.00 0.00 C ATOM 889 C ILE A 54 -5.209 2.121 2.253 1.00 0.00 C ATOM 890 O ILE A 54 -4.989 3.209 2.805 1.00 0.00 O ATOM 891 CB ILE A 54 -4.049 0.209 3.502 1.00 0.00 C ATOM 892 CG1 ILE A 54 -3.859 1.085 4.742 1.00 0.00 C ATOM 893 CG2 ILE A 54 -2.928 -0.806 3.426 1.00 0.00 C ATOM 894 CD1 ILE A 54 -2.574 1.827 4.766 1.00 0.00 C ATOM 0 H ILE A 54 -2.275 2.038 2.293 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.433 0.294 1.412 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.010 -0.294 3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.680 1.799 4.799 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.921 0.457 5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.880 -1.365 4.360 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.115 -1.493 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.981 -0.291 3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.516 2.424 5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.745 1.120 4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.516 2.483 3.897 1.00 0.00 H new ATOM 906 N ILE A 55 -6.346 1.821 1.698 1.00 0.00 N ATOM 907 CA ILE A 55 -7.466 2.743 1.631 1.00 0.00 C ATOM 908 C ILE A 55 -8.488 2.410 2.713 1.00 0.00 C ATOM 909 O ILE A 55 -9.108 3.294 3.301 1.00 0.00 O ATOM 910 CB ILE A 55 -8.166 2.713 0.208 1.00 0.00 C ATOM 911 CG1 ILE A 55 -7.282 3.299 -0.918 1.00 0.00 C ATOM 912 CG2 ILE A 55 -9.533 3.391 0.207 1.00 0.00 C ATOM 913 CD1 ILE A 55 -6.081 2.467 -1.302 1.00 0.00 C ATOM 0 H ILE A 55 -6.535 0.915 1.269 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.074 3.747 1.794 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.313 1.654 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.901 3.443 -1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.935 4.285 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.964 3.340 -0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.191 2.884 0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.422 4.435 0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.531 2.968 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.432 2.343 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.412 1.489 -1.650 1.00 0.00 H new ATOM 925 N ARG A 56 -8.639 1.146 2.995 1.00 0.00 N ATOM 926 CA ARG A 56 -9.637 0.716 3.938 1.00 0.00 C ATOM 927 C ARG A 56 -9.017 0.101 5.163 1.00 0.00 C ATOM 928 O ARG A 56 -8.275 -0.888 5.071 1.00 0.00 O ATOM 929 CB ARG A 56 -10.611 -0.261 3.283 1.00 0.00 C ATOM 930 CG ARG A 56 -11.601 -0.908 4.236 1.00 0.00 C ATOM 931 CD ARG A 56 -12.494 -1.902 3.516 1.00 0.00 C ATOM 932 NE ARG A 56 -13.365 -1.251 2.550 1.00 0.00 N ATOM 933 CZ ARG A 56 -14.089 -1.869 1.621 1.00 0.00 C ATOM 934 NH1 ARG A 56 -14.005 -3.203 1.457 1.00 0.00 N ATOM 935 NH2 ARG A 56 -14.900 -1.152 0.845 1.00 0.00 N ATOM 0 H ARG A 56 -8.084 0.394 2.586 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.189 1.600 4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.166 0.266 2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.039 -1.046 2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.061 -1.415 5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.214 -0.138 4.704 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.876 -2.642 3.007 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.099 -2.440 4.245 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.426 -0.234 2.588 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.381 -3.751 2.049 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.566 -3.665 0.741 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.960 -0.141 0.967 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.461 -1.614 0.129 1.00 0.00 H new ATOM 949 N ILE A 57 -9.322 0.684 6.292 1.00 0.00 N ATOM 950 CA ILE A 57 -8.898 0.176 7.568 1.00 0.00 C ATOM 951 C ILE A 57 -10.084 -0.580 8.112 1.00 0.00 C ATOM 952 O ILE A 57 -11.051 0.019 8.605 1.00 0.00 O ATOM 953 CB ILE A 57 -8.510 1.326 8.549 1.00 0.00 C ATOM 954 CG1 ILE A 57 -7.437 2.248 7.930 1.00 0.00 C ATOM 955 CG2 ILE A 57 -8.032 0.772 9.883 1.00 0.00 C ATOM 956 CD1 ILE A 57 -6.146 1.548 7.554 1.00 0.00 C ATOM 0 H ILE A 57 -9.879 1.536 6.351 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.012 -0.450 7.460 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.406 1.920 8.729 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.852 2.720 7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.210 3.046 8.637 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.769 1.596 10.546 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.827 0.181 10.337 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.157 0.142 9.723 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.451 2.271 7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.703 1.100 8.443 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.355 0.769 6.821 1.00 0.00 H new ATOM 968 N THR A 58 -10.060 -1.857 7.945 1.00 0.00 N ATOM 969 CA THR A 58 -11.168 -2.685 8.287 1.00 0.00 C ATOM 970 C THR A 58 -10.984 -3.429 9.597 1.00 0.00 C ATOM 971 O THR A 58 -9.881 -3.881 9.932 1.00 0.00 O ATOM 972 CB THR A 58 -11.385 -3.700 7.172 1.00 0.00 C ATOM 973 OG1 THR A 58 -10.383 -3.502 6.146 1.00 0.00 O ATOM 974 CG2 THR A 58 -12.753 -3.529 6.578 1.00 0.00 C ATOM 0 H THR A 58 -9.261 -2.363 7.563 1.00 0.00 H new ATOM 0 HA THR A 58 -12.030 -2.029 8.411 1.00 0.00 H new ATOM 0 HB THR A 58 -11.301 -4.707 7.581 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.949 -4.357 5.944 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.898 -4.259 5.782 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.507 -3.680 7.351 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.849 -2.523 6.169 1.00 0.00 H new ATOM 1037 N GLY A 63 -10.618 -9.582 8.592 1.00 0.00 N ATOM 1038 CA GLY A 63 -9.426 -9.332 9.375 1.00 0.00 C ATOM 1039 C GLY A 63 -8.290 -8.853 8.529 1.00 0.00 C ATOM 1040 O GLY A 63 -7.138 -9.115 8.826 1.00 0.00 O ATOM 0 HA2 GLY A 63 -9.645 -8.589 10.142 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.133 -10.246 9.891 1.00 0.00 H new ATOM 1044 N LYS A 64 -8.617 -8.174 7.457 1.00 0.00 N ATOM 1045 CA LYS A 64 -7.627 -7.713 6.521 1.00 0.00 C ATOM 1046 C LYS A 64 -7.901 -6.276 6.176 1.00 0.00 C ATOM 1047 O LYS A 64 -9.046 -5.817 6.272 1.00 0.00 O ATOM 1048 CB LYS A 64 -7.694 -8.522 5.236 1.00 0.00 C ATOM 1049 CG LYS A 64 -7.580 -10.020 5.384 1.00 0.00 C ATOM 1050 CD LYS A 64 -6.234 -10.454 5.926 1.00 0.00 C ATOM 1051 CE LYS A 64 -6.235 -11.938 6.237 1.00 0.00 C ATOM 1052 NZ LYS A 64 -7.149 -12.274 7.355 1.00 0.00 N ATOM 0 H LYS A 64 -9.576 -7.927 7.211 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.643 -7.824 6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.638 -8.298 4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.897 -8.182 4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.367 -10.376 6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.745 -10.490 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.454 -10.230 5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.000 -9.888 6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.532 -12.494 5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.223 -12.256 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.893 -13.203 7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.068 -11.552 8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.128 -12.303 7.006 1.00 0.00 H new ATOM 1066 N TRP A 65 -6.883 -5.582 5.772 1.00 0.00 N ATOM 1067 CA TRP A 65 -7.012 -4.214 5.329 1.00 0.00 C ATOM 1068 C TRP A 65 -7.014 -4.154 3.838 1.00 0.00 C ATOM 1069 O TRP A 65 -6.465 -5.015 3.197 1.00 0.00 O ATOM 1070 CB TRP A 65 -5.896 -3.361 5.874 1.00 0.00 C ATOM 1071 CG TRP A 65 -6.086 -2.996 7.295 1.00 0.00 C ATOM 1072 CD1 TRP A 65 -7.142 -3.309 8.095 1.00 0.00 C ATOM 1073 CD2 TRP A 65 -5.212 -2.216 8.068 1.00 0.00 C ATOM 1074 NE1 TRP A 65 -6.976 -2.756 9.324 1.00 0.00 N ATOM 1075 CE2 TRP A 65 -5.783 -2.076 9.335 1.00 0.00 C ATOM 1076 CE3 TRP A 65 -3.993 -1.619 7.803 1.00 0.00 C ATOM 1077 CZ2 TRP A 65 -5.171 -1.356 10.341 1.00 0.00 C ATOM 1078 CZ3 TRP A 65 -3.380 -0.905 8.787 1.00 0.00 C ATOM 1079 CH2 TRP A 65 -3.964 -0.769 10.053 1.00 0.00 C ATOM 0 H TRP A 65 -5.930 -5.944 5.737 1.00 0.00 H new ATOM 0 HA TRP A 65 -7.958 -3.825 5.706 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.952 -3.895 5.765 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.818 -2.451 5.279 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.988 -3.910 7.796 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.627 -2.833 10.106 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.534 -1.718 6.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.624 -1.258 11.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.428 -0.436 8.588 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.457 -0.194 10.814 1.00 0.00 H new ATOM 1090 N LEU A 66 -7.628 -3.160 3.284 1.00 0.00 N ATOM 1091 CA LEU A 66 -7.691 -3.046 1.851 1.00 0.00 C ATOM 1092 C LEU A 66 -6.582 -2.158 1.360 1.00 0.00 C ATOM 1093 O LEU A 66 -6.534 -0.960 1.680 1.00 0.00 O ATOM 1094 CB LEU A 66 -9.101 -2.576 1.392 1.00 0.00 C ATOM 1095 CG LEU A 66 -9.367 -2.312 -0.119 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -8.797 -0.972 -0.579 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -8.816 -3.445 -0.976 1.00 0.00 C ATOM 0 H LEU A 66 -8.095 -2.412 3.796 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.540 -4.027 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.819 -3.326 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.330 -1.656 1.930 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.449 -2.269 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.007 -0.832 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.257 -0.166 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.719 -0.961 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.015 -3.236 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.741 -3.529 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.298 -4.381 -0.695 1.00 0.00 H new ATOM 1109 N GLY A 67 -5.712 -2.740 0.596 1.00 0.00 N ATOM 1110 CA GLY A 67 -4.619 -2.037 0.022 1.00 0.00 C ATOM 1111 C GLY A 67 -4.685 -2.083 -1.479 1.00 0.00 C ATOM 1112 O GLY A 67 -5.584 -2.688 -2.042 1.00 0.00 O ATOM 0 H GLY A 67 -5.745 -3.730 0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.630 -1.001 0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.680 -2.474 0.363 1.00 0.00 H new ATOM 1116 N ARG A 68 -3.752 -1.450 -2.105 1.00 0.00 N ATOM 1117 CA ARG A 68 -3.601 -1.412 -3.539 1.00 0.00 C ATOM 1118 C ARG A 68 -2.140 -1.217 -3.813 1.00 0.00 C ATOM 1119 O ARG A 68 -1.474 -0.569 -3.035 1.00 0.00 O ATOM 1120 CB ARG A 68 -4.368 -0.243 -4.175 1.00 0.00 C ATOM 1121 CG ARG A 68 -3.811 1.145 -3.848 1.00 0.00 C ATOM 1122 CD ARG A 68 -4.533 2.224 -4.610 1.00 0.00 C ATOM 1123 NE ARG A 68 -3.965 3.543 -4.371 1.00 0.00 N ATOM 1124 CZ ARG A 68 -4.533 4.692 -4.729 1.00 0.00 C ATOM 1125 NH1 ARG A 68 -5.765 4.711 -5.252 1.00 0.00 N ATOM 1126 NH2 ARG A 68 -3.870 5.813 -4.544 1.00 0.00 N ATOM 0 H ARG A 68 -3.034 -0.916 -1.616 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.996 -2.335 -3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.368 -0.373 -5.257 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.407 -0.288 -3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.902 1.331 -2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.748 1.177 -4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.493 2.001 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.585 2.226 -4.324 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.065 3.590 -3.894 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.278 3.839 -5.380 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.190 5.598 -5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.937 5.792 -4.132 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.289 6.703 -4.812 1.00 0.00 H new ATOM 1140 N THR A 69 -1.645 -1.753 -4.865 1.00 0.00 N ATOM 1141 CA THR A 69 -0.264 -1.540 -5.231 1.00 0.00 C ATOM 1142 C THR A 69 -0.114 -0.187 -5.916 1.00 0.00 C ATOM 1143 O THR A 69 -1.111 0.536 -6.117 1.00 0.00 O ATOM 1144 CB THR A 69 0.200 -2.625 -6.189 1.00 0.00 C ATOM 1145 OG1 THR A 69 -0.663 -2.615 -7.333 1.00 0.00 O ATOM 1146 CG2 THR A 69 0.172 -3.988 -5.514 1.00 0.00 C ATOM 0 H THR A 69 -2.168 -2.351 -5.505 1.00 0.00 H new ATOM 0 HA THR A 69 0.341 -1.569 -4.325 1.00 0.00 H new ATOM 0 HB THR A 69 1.228 -2.431 -6.495 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.802 -3.533 -7.646 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.508 -4.750 -6.218 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.833 -3.978 -4.647 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.845 -4.214 -5.193 1.00 0.00 H new ATOM 1154 N ALA A 70 1.101 0.150 -6.288 1.00 0.00 N ATOM 1155 CA ALA A 70 1.360 1.359 -7.039 1.00 0.00 C ATOM 1156 C ALA A 70 0.853 1.182 -8.478 1.00 0.00 C ATOM 1157 O ALA A 70 0.700 2.146 -9.229 1.00 0.00 O ATOM 1158 CB ALA A 70 2.844 1.688 -7.026 1.00 0.00 C ATOM 0 H ALA A 70 1.933 -0.402 -6.080 1.00 0.00 H new ATOM 0 HA ALA A 70 0.831 2.191 -6.575 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.019 2.600 -7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.176 1.833 -5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.403 0.867 -7.475 1.00 0.00 H new ATOM 1164 N ARG A 71 0.603 -0.080 -8.849 1.00 0.00 N ATOM 1165 CA ARG A 71 0.047 -0.423 -10.146 1.00 0.00 C ATOM 1166 C ARG A 71 -1.459 -0.213 -10.103 1.00 0.00 C ATOM 1167 O ARG A 71 -2.094 0.056 -11.119 1.00 0.00 O ATOM 1168 CB ARG A 71 0.361 -1.888 -10.467 1.00 0.00 C ATOM 1169 CG ARG A 71 -0.158 -2.384 -11.811 1.00 0.00 C ATOM 1170 CD ARG A 71 0.191 -3.841 -11.997 1.00 0.00 C ATOM 1171 NE ARG A 71 -0.277 -4.402 -13.269 1.00 0.00 N ATOM 1172 CZ ARG A 71 -0.056 -5.669 -13.650 1.00 0.00 C ATOM 1173 NH1 ARG A 71 0.639 -6.493 -12.861 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -0.500 -6.101 -14.816 1.00 0.00 N ATOM 0 H ARG A 71 0.784 -0.886 -8.251 1.00 0.00 H new ATOM 0 HA ARG A 71 0.484 0.209 -10.919 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.442 -2.025 -10.440 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.060 -2.514 -9.680 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.239 -2.251 -11.864 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.275 -1.793 -12.618 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.273 -3.957 -11.935 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.239 -4.416 -11.177 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.800 -3.794 -13.899 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.002 -6.159 -11.968 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.807 -7.456 -13.151 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.014 -5.470 -15.432 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.329 -7.065 -15.101 1.00 0.00 H new ATOM 1188 N GLY A 72 -2.017 -0.307 -8.916 1.00 0.00 N ATOM 1189 CA GLY A 72 -3.426 -0.090 -8.748 1.00 0.00 C ATOM 1190 C GLY A 72 -4.214 -1.370 -8.583 1.00 0.00 C ATOM 1191 O GLY A 72 -5.413 -1.394 -8.847 1.00 0.00 O ATOM 0 H GLY A 72 -1.513 -0.532 -8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.587 0.543 -7.875 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.808 0.455 -9.611 1.00 0.00 H new ATOM 1195 N SER A 73 -3.558 -2.426 -8.164 1.00 0.00 N ATOM 1196 CA SER A 73 -4.224 -3.661 -7.893 1.00 0.00 C ATOM 1197 C SER A 73 -4.568 -3.713 -6.416 1.00 0.00 C ATOM 1198 O SER A 73 -3.686 -3.708 -5.562 1.00 0.00 O ATOM 1199 CB SER A 73 -3.366 -4.860 -8.352 1.00 0.00 C ATOM 1200 OG SER A 73 -2.007 -4.719 -7.959 1.00 0.00 O ATOM 0 H SER A 73 -2.551 -2.445 -8.004 1.00 0.00 H new ATOM 0 HA SER A 73 -5.152 -3.723 -8.461 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.772 -5.780 -7.931 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.423 -4.953 -9.437 1.00 0.00 H new ATOM 0 HG SER A 73 -1.495 -5.497 -8.266 1.00 0.00 H new ATOM 1206 N TYR A 74 -5.838 -3.647 -6.138 1.00 0.00 N ATOM 1207 CA TYR A 74 -6.354 -3.662 -4.776 1.00 0.00 C ATOM 1208 C TYR A 74 -6.475 -5.077 -4.247 1.00 0.00 C ATOM 1209 O TYR A 74 -6.688 -6.028 -5.022 1.00 0.00 O ATOM 1210 CB TYR A 74 -7.719 -2.958 -4.697 1.00 0.00 C ATOM 1211 CG TYR A 74 -7.696 -1.466 -4.970 1.00 0.00 C ATOM 1212 CD1 TYR A 74 -7.576 -0.963 -6.260 1.00 0.00 C ATOM 1213 CD2 TYR A 74 -7.806 -0.564 -3.928 1.00 0.00 C ATOM 1214 CE1 TYR A 74 -7.559 0.398 -6.496 1.00 0.00 C ATOM 1215 CE2 TYR A 74 -7.793 0.795 -4.155 1.00 0.00 C ATOM 1216 CZ TYR A 74 -7.669 1.272 -5.437 1.00 0.00 C ATOM 1217 OH TYR A 74 -7.624 2.628 -5.658 1.00 0.00 O ATOM 0 H TYR A 74 -6.564 -3.580 -6.852 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.641 -3.121 -4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.395 -3.431 -5.410 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.137 -3.123 -3.704 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.495 -1.647 -7.092 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.904 -0.931 -2.917 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.460 0.774 -7.504 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.880 1.483 -3.327 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.440 2.911 -6.121 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.305 -5.221 -2.948 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.455 -6.514 -2.306 1.00 0.00 C ATOM 1229 C GLY A 75 -6.416 -6.411 -0.801 1.00 0.00 C ATOM 1230 O GLY A 75 -5.947 -5.401 -0.263 1.00 0.00 O ATOM 0 H GLY A 75 -6.063 -4.459 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.399 -6.963 -2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.661 -7.180 -2.644 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.924 -7.427 -0.116 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.862 -7.470 1.329 1.00 0.00 C ATOM 1236 C TYR A 76 -5.473 -7.841 1.816 1.00 0.00 C ATOM 1237 O TYR A 76 -4.761 -8.597 1.192 1.00 0.00 O ATOM 1238 CB TYR A 76 -7.962 -8.346 1.951 1.00 0.00 C ATOM 1239 CG TYR A 76 -9.295 -7.621 2.114 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -9.314 -6.289 2.489 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -10.516 -8.252 1.906 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -10.487 -5.595 2.653 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -11.714 -7.556 2.072 1.00 0.00 C ATOM 1244 CZ TYR A 76 -11.681 -6.220 2.448 1.00 0.00 C ATOM 1245 OH TYR A 76 -12.852 -5.503 2.613 1.00 0.00 O ATOM 0 H TYR A 76 -7.383 -8.231 -0.544 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.064 -6.459 1.681 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.110 -9.227 1.327 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.627 -8.699 2.926 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.377 -5.780 2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.538 -9.291 1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.464 -4.555 2.944 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.659 -8.053 1.909 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.620 -6.084 2.431 1.00 0.00 H new ATOM 1255 N ILE A 77 -5.076 -7.255 2.877 1.00 0.00 N ATOM 1256 CA ILE A 77 -3.752 -7.423 3.382 1.00 0.00 C ATOM 1257 C ILE A 77 -3.800 -7.877 4.809 1.00 0.00 C ATOM 1258 O ILE A 77 -4.634 -7.389 5.584 1.00 0.00 O ATOM 1259 CB ILE A 77 -3.037 -6.060 3.391 1.00 0.00 C ATOM 1260 CG1 ILE A 77 -3.089 -5.393 2.042 1.00 0.00 C ATOM 1261 CG2 ILE A 77 -1.604 -6.246 3.782 1.00 0.00 C ATOM 1262 CD1 ILE A 77 -2.739 -3.948 2.087 1.00 0.00 C ATOM 0 H ILE A 77 -5.662 -6.634 3.435 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.237 -8.150 2.754 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.552 -5.423 4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.405 -5.905 1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.091 -5.504 1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.100 -5.280 3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.553 -6.688 4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.114 -6.906 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.796 -3.528 1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.438 -3.424 2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.726 -3.831 2.472 1.00 0.00 H new ATOM 1274 N LYS A 78 -2.935 -8.802 5.167 1.00 0.00 N ATOM 1275 CA LYS A 78 -2.758 -9.099 6.559 1.00 0.00 C ATOM 1276 C LYS A 78 -1.973 -7.928 7.116 1.00 0.00 C ATOM 1277 O LYS A 78 -1.009 -7.499 6.492 1.00 0.00 O ATOM 1278 CB LYS A 78 -1.940 -10.368 6.791 1.00 0.00 C ATOM 1279 CG LYS A 78 -2.430 -11.605 6.079 1.00 0.00 C ATOM 1280 CD LYS A 78 -1.652 -12.830 6.536 1.00 0.00 C ATOM 1281 CE LYS A 78 -1.996 -14.082 5.734 1.00 0.00 C ATOM 1282 NZ LYS A 78 -3.445 -14.342 5.654 1.00 0.00 N ATOM 0 H LYS A 78 -2.359 -9.346 4.525 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.729 -9.254 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.912 -10.177 6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.918 -10.573 7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.492 -11.748 6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.320 -11.479 5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.584 -12.630 6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.857 -13.012 7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.596 -13.981 4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.504 -14.942 6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.605 -15.327 5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.878 -14.184 6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.875 -13.699 4.959 1.00 0.00 H new ATOM 1296 N THR A 79 -2.337 -7.435 8.251 1.00 0.00 N ATOM 1297 CA THR A 79 -1.694 -6.250 8.825 1.00 0.00 C ATOM 1298 C THR A 79 -0.205 -6.503 9.170 1.00 0.00 C ATOM 1299 O THR A 79 0.568 -5.573 9.413 1.00 0.00 O ATOM 1300 CB THR A 79 -2.469 -5.801 10.070 1.00 0.00 C ATOM 1301 OG1 THR A 79 -2.484 -6.870 11.030 1.00 0.00 O ATOM 1302 CG2 THR A 79 -3.894 -5.499 9.679 1.00 0.00 C ATOM 0 H THR A 79 -3.085 -7.824 8.824 1.00 0.00 H new ATOM 0 HA THR A 79 -1.714 -5.458 8.076 1.00 0.00 H new ATOM 0 HB THR A 79 -1.994 -4.917 10.496 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.977 -6.586 11.828 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.453 -5.179 10.559 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.906 -4.705 8.933 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.355 -6.395 9.263 1.00 0.00 H new ATOM 1310 N THR A 80 0.165 -7.767 9.161 1.00 0.00 N ATOM 1311 CA THR A 80 1.500 -8.210 9.448 1.00 0.00 C ATOM 1312 C THR A 80 2.267 -8.436 8.122 1.00 0.00 C ATOM 1313 O THR A 80 3.493 -8.484 8.098 1.00 0.00 O ATOM 1314 CB THR A 80 1.426 -9.523 10.268 1.00 0.00 C ATOM 1315 OG1 THR A 80 2.723 -10.020 10.647 1.00 0.00 O ATOM 1316 CG2 THR A 80 0.662 -10.584 9.493 1.00 0.00 C ATOM 0 H THR A 80 -0.477 -8.530 8.947 1.00 0.00 H new ATOM 0 HA THR A 80 2.031 -7.456 10.029 1.00 0.00 H new ATOM 0 HB THR A 80 0.895 -9.290 11.191 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.619 -10.847 11.162 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.617 -11.501 10.080 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.350 -10.231 9.294 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.170 -10.782 8.549 1.00 0.00 H new ATOM 1324 N ALA A 81 1.523 -8.523 7.020 1.00 0.00 N ATOM 1325 CA ALA A 81 2.105 -8.743 5.694 1.00 0.00 C ATOM 1326 C ALA A 81 2.718 -7.451 5.194 1.00 0.00 C ATOM 1327 O ALA A 81 3.550 -7.446 4.289 1.00 0.00 O ATOM 1328 CB ALA A 81 1.039 -9.264 4.705 1.00 0.00 C ATOM 0 H ALA A 81 0.506 -8.444 7.019 1.00 0.00 H new ATOM 0 HA ALA A 81 2.884 -9.502 5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.495 -9.420 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.634 -10.207 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.235 -8.533 4.618 1.00 0.00 H new ATOM 1334 N VAL A 82 2.315 -6.356 5.813 1.00 0.00 N ATOM 1335 CA VAL A 82 2.798 -5.046 5.438 1.00 0.00 C ATOM 1336 C VAL A 82 3.266 -4.266 6.627 1.00 0.00 C ATOM 1337 O VAL A 82 2.810 -4.495 7.750 1.00 0.00 O ATOM 1338 CB VAL A 82 1.731 -4.194 4.695 1.00 0.00 C ATOM 1339 CG1 VAL A 82 1.375 -4.824 3.400 1.00 0.00 C ATOM 1340 CG2 VAL A 82 0.468 -3.977 5.525 1.00 0.00 C ATOM 0 H VAL A 82 1.648 -6.353 6.585 1.00 0.00 H new ATOM 0 HA VAL A 82 3.630 -5.238 4.761 1.00 0.00 H new ATOM 0 HB VAL A 82 2.179 -3.216 4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.627 -4.215 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.265 -4.900 2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.971 -5.820 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.242 -3.376 4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.019 -4.941 5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.724 -3.459 6.449 1.00 0.00 H new ATOM 1350 N GLU A 83 4.176 -3.367 6.383 1.00 0.00 N ATOM 1351 CA GLU A 83 4.610 -2.437 7.376 1.00 0.00 C ATOM 1352 C GLU A 83 3.945 -1.104 7.067 1.00 0.00 C ATOM 1353 O GLU A 83 4.320 -0.413 6.118 1.00 0.00 O ATOM 1354 CB GLU A 83 6.136 -2.286 7.380 1.00 0.00 C ATOM 1355 CG GLU A 83 6.905 -3.575 7.638 1.00 0.00 C ATOM 1356 CD GLU A 83 6.553 -4.213 8.959 1.00 0.00 C ATOM 1357 OE1 GLU A 83 6.883 -3.637 10.027 1.00 0.00 O ATOM 1358 OE2 GLU A 83 5.968 -5.306 8.963 1.00 0.00 O ATOM 0 H GLU A 83 4.639 -3.261 5.480 1.00 0.00 H new ATOM 0 HA GLU A 83 4.329 -2.795 8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.449 -1.879 6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.413 -1.556 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.701 -4.281 6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.974 -3.365 7.615 1.00 0.00 H new ATOM 1365 N ILE A 84 2.908 -0.818 7.796 1.00 0.00 N ATOM 1366 CA ILE A 84 2.139 0.407 7.651 1.00 0.00 C ATOM 1367 C ILE A 84 2.950 1.595 8.146 1.00 0.00 C ATOM 1368 O ILE A 84 3.561 1.531 9.225 1.00 0.00 O ATOM 1369 CB ILE A 84 0.821 0.279 8.454 1.00 0.00 C ATOM 1370 CG1 ILE A 84 -0.055 -0.802 7.822 1.00 0.00 C ATOM 1371 CG2 ILE A 84 0.065 1.611 8.570 1.00 0.00 C ATOM 1372 CD1 ILE A 84 -0.650 -0.398 6.508 1.00 0.00 C ATOM 0 H ILE A 84 2.556 -1.436 8.527 1.00 0.00 H new ATOM 0 HA ILE A 84 1.904 0.568 6.599 1.00 0.00 H new ATOM 0 HB ILE A 84 1.076 -0.010 9.474 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.541 -1.704 7.680 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.859 -1.057 8.513 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.850 1.461 9.143 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.694 2.343 9.076 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.186 1.975 7.574 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.259 -1.214 6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.273 0.486 6.647 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.148 -0.172 5.801 1.00 0.00 H new ATOM 1384 N ASP A 85 2.977 2.656 7.370 1.00 0.00 N ATOM 1385 CA ASP A 85 3.742 3.827 7.737 1.00 0.00 C ATOM 1386 C ASP A 85 3.055 4.626 8.812 1.00 0.00 C ATOM 1387 O ASP A 85 1.833 4.603 8.962 1.00 0.00 O ATOM 1388 CB ASP A 85 3.973 4.782 6.552 1.00 0.00 C ATOM 1389 CG ASP A 85 2.727 5.584 6.143 1.00 0.00 C ATOM 1390 OD1 ASP A 85 2.333 6.525 6.860 1.00 0.00 O ATOM 1391 OD2 ASP A 85 2.134 5.308 5.152 1.00 0.00 O ATOM 0 H ASP A 85 2.479 2.732 6.483 1.00 0.00 H new ATOM 0 HA ASP A 85 4.696 3.437 8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.772 5.478 6.810 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.318 4.204 5.695 1.00 0.00 H new