USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 720 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 71 SER OG : rot 75:sc= 1.31 USER MOD Set 1.2: A 76 CYS SG : rot -47:sc= 1.95 USER MOD Set 2.1: A 66 ASN : amide:sc= -2.97! C(o=-10!,f=-15!) USER MOD Set 2.2: A 67 CYS SG : rot -44:sc= -1.61! USER MOD Set 2.3: A 70 CYS SG : rot -24:sc= -1.3! USER MOD Set 2.4: A 84 HIS : no HE2:sc= -3.38 K(o=-10,f=-6.7) USER MOD Set 2.5: A 101 CYS SG : rot 91:sc= -0.831 USER MOD Set 3.1: A 64 SER OG : rot 43:sc= 0.12 USER MOD Set 3.2: A 78 ASN : amide:sc= -0.301 K(o=-0.18,f=-11!) USER MOD Set 3.3: A 98 TYR OH : rot 130:sc= 0 USER MOD Set 4.1: A 60 TYR OH : rot 8:sc= 1.99 USER MOD Set 4.2: A 65 LYS NZ :NH3+ -176:sc= 1.52 (180deg=0.41) USER MOD Set 5.1: A 27 LYS NZ :NH3+ -175:sc= 1.33 (180deg=1.14) USER MOD Set 5.2: A 58 TYR OH : rot 180:sc= 0.0298 USER MOD Single : A 18 GLN : amide:sc= -1.87! K(o=-1.9!,f=-1.3) USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= 1.29 (180deg=1.01) USER MOD Single : A 23 GLN : amide:sc= -0.957 K(o=-0.96,f=-0.0026) USER MOD Single : A 24 MET CE :methyl -135:sc= -0.0487 (180deg=-1.16) USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 2.05 (180deg=1.13) USER MOD Single : A 29 MET CE :methyl 158:sc= 0 (180deg=-0.65) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc=-0.00846 (180deg=-0.156) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.11) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -141:sc= -1.04 (180deg=-3.75!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 81:sc= 1.42 USER MOD Single : A 55 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.13) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 68 SER OG : rot -32:sc= 0.0763 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.272 X(o=0.27,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 93 SER OG : rot -2:sc= 0.896 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 169:sc= -0.044 (180deg=-0.207) USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -19.158 3.840 5.697 1.00 0.00 N ATOM 226 CA ASP A 16 -20.063 4.493 4.757 1.00 0.00 C ATOM 227 C ASP A 16 -19.549 5.867 4.349 1.00 0.00 C ATOM 228 O ASP A 16 -19.981 6.417 3.337 1.00 0.00 O ATOM 229 CB ASP A 16 -21.478 4.595 5.329 1.00 0.00 C ATOM 230 CG ASP A 16 -22.309 3.369 5.006 1.00 0.00 C ATOM 231 OD1 ASP A 16 -22.963 3.353 3.938 1.00 0.00 O ATOM 232 OD2 ASP A 16 -22.302 2.409 5.803 1.00 0.00 O ATOM 0 HA ASP A 16 -20.102 3.871 3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -21.424 4.722 6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -21.969 5.482 4.928 1.00 0.00 H new ATOM 237 N PHE A 17 -18.627 6.408 5.136 1.00 0.00 N ATOM 238 CA PHE A 17 -17.949 7.650 4.785 1.00 0.00 C ATOM 239 C PHE A 17 -17.205 7.493 3.464 1.00 0.00 C ATOM 240 O PHE A 17 -17.394 8.278 2.534 1.00 0.00 O ATOM 241 CB PHE A 17 -16.970 8.057 5.896 1.00 0.00 C ATOM 242 CG PHE A 17 -16.188 9.307 5.595 1.00 0.00 C ATOM 243 CD1 PHE A 17 -16.776 10.554 5.713 1.00 0.00 C ATOM 244 CD2 PHE A 17 -14.866 9.231 5.186 1.00 0.00 C ATOM 245 CE1 PHE A 17 -16.061 11.703 5.433 1.00 0.00 C ATOM 246 CE2 PHE A 17 -14.145 10.375 4.904 1.00 0.00 C ATOM 247 CZ PHE A 17 -14.744 11.612 5.026 1.00 0.00 C ATOM 0 H PHE A 17 -18.331 6.004 6.025 1.00 0.00 H new ATOM 0 HA PHE A 17 -18.699 8.433 4.674 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -17.527 8.203 6.821 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.273 7.237 6.070 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.806 10.630 6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.393 8.265 5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -16.531 12.670 5.532 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.115 10.301 4.589 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.184 12.508 4.804 1.00 0.00 H new ATOM 257 N GLN A 18 -16.370 6.459 3.376 1.00 0.00 N ATOM 258 CA GLN A 18 -15.594 6.216 2.168 1.00 0.00 C ATOM 259 C GLN A 18 -16.515 5.735 1.054 1.00 0.00 C ATOM 260 O GLN A 18 -16.305 6.047 -0.116 1.00 0.00 O ATOM 261 CB GLN A 18 -14.459 5.210 2.439 1.00 0.00 C ATOM 262 CG GLN A 18 -14.906 3.758 2.622 1.00 0.00 C ATOM 263 CD GLN A 18 -15.031 2.967 1.321 1.00 0.00 C ATOM 264 OE1 GLN A 18 -15.877 2.081 1.212 1.00 0.00 O ATOM 265 NE2 GLN A 18 -14.181 3.247 0.343 1.00 0.00 N ATOM 0 H GLN A 18 -16.216 5.782 4.123 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.128 7.148 1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.751 5.254 1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.923 5.524 3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.195 3.251 3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.869 3.749 3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.491 3.988 0.464 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.217 2.721 -0.530 1.00 0.00 H new ATOM 274 N LYS A 19 -17.551 4.995 1.440 1.00 0.00 N ATOM 275 CA LYS A 19 -18.555 4.520 0.499 1.00 0.00 C ATOM 276 C LYS A 19 -19.211 5.697 -0.209 1.00 0.00 C ATOM 277 O LYS A 19 -19.405 5.674 -1.417 1.00 0.00 O ATOM 278 CB LYS A 19 -19.614 3.700 1.230 1.00 0.00 C ATOM 279 CG LYS A 19 -19.116 2.364 1.760 1.00 0.00 C ATOM 280 CD LYS A 19 -20.205 1.647 2.542 1.00 0.00 C ATOM 281 CE LYS A 19 -21.444 1.416 1.692 1.00 0.00 C ATOM 282 NZ LYS A 19 -22.624 1.043 2.514 1.00 0.00 N ATOM 0 H LYS A 19 -17.715 4.711 2.406 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.066 3.889 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.000 4.287 2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.449 3.520 0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.788 1.739 0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.249 2.523 2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.826 0.690 2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.470 2.235 3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -21.668 2.320 1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.244 0.627 0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -23.359 0.636 1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -22.342 0.342 3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -22.998 1.889 2.989 1.00 0.00 H new ATOM 296 N ARG A 20 -19.546 6.722 0.558 1.00 0.00 N ATOM 297 CA ARG A 20 -20.124 7.941 0.012 1.00 0.00 C ATOM 298 C ARG A 20 -19.089 8.711 -0.802 1.00 0.00 C ATOM 299 O ARG A 20 -19.335 9.067 -1.957 1.00 0.00 O ATOM 300 CB ARG A 20 -20.660 8.815 1.153 1.00 0.00 C ATOM 301 CG ARG A 20 -20.980 10.247 0.747 1.00 0.00 C ATOM 302 CD ARG A 20 -22.146 10.323 -0.226 1.00 0.00 C ATOM 303 NE ARG A 20 -23.418 9.981 0.406 1.00 0.00 N ATOM 304 CZ ARG A 20 -24.257 10.883 0.920 1.00 0.00 C ATOM 305 NH1 ARG A 20 -23.931 12.173 0.934 1.00 0.00 N ATOM 306 NH2 ARG A 20 -25.417 10.485 1.434 1.00 0.00 N ATOM 0 H ARG A 20 -19.426 6.734 1.571 1.00 0.00 H new ATOM 0 HA ARG A 20 -20.947 7.673 -0.651 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -21.562 8.354 1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -19.925 8.833 1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -21.213 10.831 1.637 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.099 10.699 0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -22.207 11.330 -0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -21.964 9.647 -1.061 1.00 0.00 H new ATOM 0 HE ARG A 20 -23.680 8.997 0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -23.036 12.477 0.551 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -24.576 12.858 1.328 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -25.662 9.495 1.434 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -26.062 11.170 1.828 1.00 0.00 H new ATOM 320 N LEU A 21 -17.931 8.943 -0.195 1.00 0.00 N ATOM 321 CA LEU A 21 -16.879 9.750 -0.806 1.00 0.00 C ATOM 322 C LEU A 21 -16.427 9.195 -2.156 1.00 0.00 C ATOM 323 O LEU A 21 -16.369 9.923 -3.145 1.00 0.00 O ATOM 324 CB LEU A 21 -15.683 9.826 0.147 1.00 0.00 C ATOM 325 CG LEU A 21 -14.396 10.381 -0.462 1.00 0.00 C ATOM 326 CD1 LEU A 21 -14.569 11.841 -0.864 1.00 0.00 C ATOM 327 CD2 LEU A 21 -13.240 10.228 0.514 1.00 0.00 C ATOM 0 H LEU A 21 -17.695 8.580 0.729 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.288 10.744 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.958 10.446 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.482 8.826 0.531 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.170 9.809 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.639 12.212 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.368 11.923 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.823 12.433 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.330 10.628 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.463 10.774 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.097 9.173 0.746 1.00 0.00 H new ATOM 339 N GLU A 22 -16.127 7.911 -2.198 1.00 0.00 N ATOM 340 CA GLU A 22 -15.638 7.288 -3.418 1.00 0.00 C ATOM 341 C GLU A 22 -16.766 7.036 -4.416 1.00 0.00 C ATOM 342 O GLU A 22 -16.530 7.000 -5.623 1.00 0.00 O ATOM 343 CB GLU A 22 -14.883 6.002 -3.095 1.00 0.00 C ATOM 344 CG GLU A 22 -13.683 6.233 -2.185 1.00 0.00 C ATOM 345 CD GLU A 22 -12.603 7.104 -2.814 1.00 0.00 C ATOM 346 OE1 GLU A 22 -12.843 8.316 -3.024 1.00 0.00 O ATOM 347 OE2 GLU A 22 -11.507 6.579 -3.094 1.00 0.00 O ATOM 0 H GLU A 22 -16.212 7.277 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.944 7.981 -3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.564 5.297 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.545 5.542 -4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.023 6.700 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.250 5.269 -1.915 1.00 0.00 H new ATOM 354 N GLN A 23 -17.988 6.861 -3.920 1.00 0.00 N ATOM 355 CA GLN A 23 -19.143 6.702 -4.803 1.00 0.00 C ATOM 356 C GLN A 23 -19.347 7.959 -5.624 1.00 0.00 C ATOM 357 O GLN A 23 -19.394 7.911 -6.855 1.00 0.00 O ATOM 358 CB GLN A 23 -20.415 6.420 -4.013 1.00 0.00 C ATOM 359 CG GLN A 23 -21.629 6.154 -4.890 1.00 0.00 C ATOM 360 CD GLN A 23 -22.890 5.903 -4.087 1.00 0.00 C ATOM 361 OE1 GLN A 23 -23.997 6.213 -4.531 1.00 0.00 O ATOM 362 NE2 GLN A 23 -22.733 5.335 -2.903 1.00 0.00 N ATOM 0 H GLN A 23 -18.204 6.826 -2.924 1.00 0.00 H new ATOM 0 HA GLN A 23 -18.941 5.854 -5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -20.248 5.558 -3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -20.625 7.270 -3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -21.788 7.006 -5.551 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.430 5.291 -5.525 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -21.798 5.094 -2.573 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -23.546 5.138 -2.320 1.00 0.00 H new ATOM 371 N MET A 24 -19.477 9.084 -4.929 1.00 0.00 N ATOM 372 CA MET A 24 -19.623 10.375 -5.592 1.00 0.00 C ATOM 373 C MET A 24 -18.387 10.678 -6.429 1.00 0.00 C ATOM 374 O MET A 24 -18.486 11.287 -7.489 1.00 0.00 O ATOM 375 CB MET A 24 -19.882 11.499 -4.576 1.00 0.00 C ATOM 376 CG MET A 24 -18.789 11.676 -3.535 1.00 0.00 C ATOM 377 SD MET A 24 -19.202 12.904 -2.278 1.00 0.00 S ATOM 378 CE MET A 24 -19.283 14.397 -3.265 1.00 0.00 C ATOM 0 H MET A 24 -19.484 9.128 -3.910 1.00 0.00 H new ATOM 0 HA MET A 24 -20.489 10.322 -6.252 1.00 0.00 H new ATOM 0 HB2 MET A 24 -20.006 12.438 -5.116 1.00 0.00 H new ATOM 0 HB3 MET A 24 -20.823 11.299 -4.065 1.00 0.00 H new ATOM 0 HG2 MET A 24 -18.598 10.718 -3.050 1.00 0.00 H new ATOM 0 HG3 MET A 24 -17.865 11.971 -4.033 1.00 0.00 H new ATOM 0 HE1 MET A 24 -18.755 15.201 -2.752 1.00 0.00 H new ATOM 0 HE2 MET A 24 -18.818 14.218 -4.234 1.00 0.00 H new ATOM 0 HE3 MET A 24 -20.325 14.682 -3.409 1.00 0.00 H new ATOM 388 N LYS A 25 -17.232 10.235 -5.945 1.00 0.00 N ATOM 389 CA LYS A 25 -15.975 10.347 -6.678 1.00 0.00 C ATOM 390 C LYS A 25 -16.111 9.698 -8.058 1.00 0.00 C ATOM 391 O LYS A 25 -15.882 10.335 -9.089 1.00 0.00 O ATOM 392 CB LYS A 25 -14.859 9.654 -5.888 1.00 0.00 C ATOM 393 CG LYS A 25 -13.451 10.000 -6.342 1.00 0.00 C ATOM 394 CD LYS A 25 -13.059 11.399 -5.902 1.00 0.00 C ATOM 395 CE LYS A 25 -13.031 11.524 -4.384 1.00 0.00 C ATOM 396 NZ LYS A 25 -11.953 10.703 -3.774 1.00 0.00 N ATOM 0 H LYS A 25 -17.140 9.788 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.729 11.401 -6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.961 9.916 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.995 8.575 -5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.746 9.277 -5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.388 9.927 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.077 11.646 -6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.764 12.121 -6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.889 12.569 -4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.994 11.216 -3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.848 10.957 -2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.198 9.695 -3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.057 10.881 -4.272 1.00 0.00 H new ATOM 410 N GLU A 26 -16.508 8.429 -8.056 1.00 0.00 N ATOM 411 CA GLU A 26 -16.692 7.674 -9.287 1.00 0.00 C ATOM 412 C GLU A 26 -17.792 8.299 -10.143 1.00 0.00 C ATOM 413 O GLU A 26 -17.662 8.383 -11.361 1.00 0.00 O ATOM 414 CB GLU A 26 -17.041 6.220 -8.965 1.00 0.00 C ATOM 415 CG GLU A 26 -17.147 5.338 -10.196 1.00 0.00 C ATOM 416 CD GLU A 26 -17.640 3.945 -9.876 1.00 0.00 C ATOM 417 OE1 GLU A 26 -18.848 3.794 -9.606 1.00 0.00 O ATOM 418 OE2 GLU A 26 -16.832 2.993 -9.925 1.00 0.00 O ATOM 0 H GLU A 26 -16.709 7.900 -7.207 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.759 7.700 -9.850 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.282 5.811 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.987 6.192 -8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.824 5.802 -10.913 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.170 5.272 -10.676 1.00 0.00 H new ATOM 425 N LYS A 27 -18.870 8.741 -9.492 1.00 0.00 N ATOM 426 CA LYS A 27 -19.981 9.409 -10.173 1.00 0.00 C ATOM 427 C LYS A 27 -19.492 10.568 -11.033 1.00 0.00 C ATOM 428 O LYS A 27 -19.971 10.774 -12.148 1.00 0.00 O ATOM 429 CB LYS A 27 -20.993 9.931 -9.149 1.00 0.00 C ATOM 430 CG LYS A 27 -22.037 8.911 -8.717 1.00 0.00 C ATOM 431 CD LYS A 27 -23.091 8.696 -9.799 1.00 0.00 C ATOM 432 CE LYS A 27 -23.835 9.988 -10.125 1.00 0.00 C ATOM 433 NZ LYS A 27 -24.619 10.502 -8.967 1.00 0.00 N ATOM 0 H LYS A 27 -18.997 8.647 -8.484 1.00 0.00 H new ATOM 0 HA LYS A 27 -20.458 8.674 -10.821 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -20.453 10.276 -8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -21.503 10.798 -9.570 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -21.549 7.963 -8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -22.519 9.249 -7.800 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -22.614 8.313 -10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -23.803 7.939 -9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -23.118 10.747 -10.440 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -24.506 9.815 -10.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.172 11.332 -9.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -25.263 9.760 -8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -23.970 10.774 -8.201 1.00 0.00 H new ATOM 447 N VAL A 28 -18.525 11.305 -10.512 1.00 0.00 N ATOM 448 CA VAL A 28 -17.985 12.463 -11.205 1.00 0.00 C ATOM 449 C VAL A 28 -17.176 12.018 -12.417 1.00 0.00 C ATOM 450 O VAL A 28 -17.250 12.617 -13.489 1.00 0.00 O ATOM 451 CB VAL A 28 -17.096 13.314 -10.270 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.531 14.509 -11.007 1.00 0.00 C ATOM 453 CG2 VAL A 28 -17.870 13.781 -9.049 1.00 0.00 C ATOM 0 H VAL A 28 -18.096 11.120 -9.605 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.824 13.077 -11.532 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.273 12.682 -9.937 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.909 15.093 -10.329 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.929 14.166 -11.848 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.348 15.129 -11.375 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.218 14.377 -8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.719 14.386 -9.366 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.229 12.915 -8.493 1.00 0.00 H new ATOM 463 N MET A 29 -16.437 10.929 -12.251 1.00 0.00 N ATOM 464 CA MET A 29 -15.593 10.403 -13.320 1.00 0.00 C ATOM 465 C MET A 29 -16.423 9.723 -14.406 1.00 0.00 C ATOM 466 O MET A 29 -15.885 9.298 -15.431 1.00 0.00 O ATOM 467 CB MET A 29 -14.580 9.411 -12.749 1.00 0.00 C ATOM 468 CG MET A 29 -13.654 10.012 -11.705 1.00 0.00 C ATOM 469 SD MET A 29 -12.467 8.818 -11.058 1.00 0.00 S ATOM 470 CE MET A 29 -11.578 9.835 -9.881 1.00 0.00 C ATOM 0 H MET A 29 -16.404 10.391 -11.385 1.00 0.00 H new ATOM 0 HA MET A 29 -15.067 11.244 -13.772 1.00 0.00 H new ATOM 0 HB2 MET A 29 -15.117 8.573 -12.305 1.00 0.00 H new ATOM 0 HB3 MET A 29 -13.980 9.009 -13.565 1.00 0.00 H new ATOM 0 HG2 MET A 29 -13.116 10.852 -12.143 1.00 0.00 H new ATOM 0 HG3 MET A 29 -14.249 10.409 -10.883 1.00 0.00 H new ATOM 0 HE1 MET A 29 -11.099 9.197 -9.138 1.00 0.00 H new ATOM 0 HE2 MET A 29 -10.819 10.417 -10.403 1.00 0.00 H new ATOM 0 HE3 MET A 29 -12.275 10.511 -9.385 1.00 0.00 H new ATOM 480 N LYS A 30 -17.727 9.622 -14.181 1.00 0.00 N ATOM 481 CA LYS A 30 -18.617 8.991 -15.143 1.00 0.00 C ATOM 482 C LYS A 30 -19.332 10.026 -16.006 1.00 0.00 C ATOM 483 O LYS A 30 -20.049 9.676 -16.945 1.00 0.00 O ATOM 484 CB LYS A 30 -19.655 8.113 -14.438 1.00 0.00 C ATOM 485 CG LYS A 30 -19.067 6.943 -13.655 1.00 0.00 C ATOM 486 CD LYS A 30 -17.943 6.266 -14.424 1.00 0.00 C ATOM 487 CE LYS A 30 -17.437 5.012 -13.725 1.00 0.00 C ATOM 488 NZ LYS A 30 -18.468 3.939 -13.679 1.00 0.00 N ATOM 0 H LYS A 30 -18.190 9.969 -13.341 1.00 0.00 H new ATOM 0 HA LYS A 30 -17.998 8.367 -15.787 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -20.235 8.735 -13.756 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.349 7.723 -15.183 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -18.690 7.298 -12.696 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -19.851 6.217 -13.440 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -18.294 6.006 -15.422 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.118 6.967 -14.549 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.552 4.641 -14.243 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.130 5.263 -12.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.023 3.042 -13.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -19.202 4.192 -12.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.901 3.833 -14.619 1.00 0.00 H new ATOM 502 N ASP A 31 -19.144 11.296 -15.689 1.00 0.00 N ATOM 503 CA ASP A 31 -19.778 12.366 -16.453 1.00 0.00 C ATOM 504 C ASP A 31 -18.953 12.731 -17.677 1.00 0.00 C ATOM 505 O ASP A 31 -17.723 12.777 -17.625 1.00 0.00 O ATOM 506 CB ASP A 31 -19.997 13.610 -15.596 1.00 0.00 C ATOM 507 CG ASP A 31 -20.635 14.732 -16.394 1.00 0.00 C ATOM 508 OD1 ASP A 31 -21.832 14.622 -16.725 1.00 0.00 O ATOM 509 OD2 ASP A 31 -19.935 15.715 -16.716 1.00 0.00 O ATOM 0 H ASP A 31 -18.562 11.614 -14.914 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.748 11.991 -16.779 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -20.632 13.360 -14.746 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.042 13.947 -15.192 1.00 0.00 H new ATOM 514 N GLN A 32 -19.651 13.007 -18.770 1.00 0.00 N ATOM 515 CA GLN A 32 -19.021 13.300 -20.054 1.00 0.00 C ATOM 516 C GLN A 32 -18.309 14.651 -20.044 1.00 0.00 C ATOM 517 O GLN A 32 -17.219 14.789 -20.596 1.00 0.00 O ATOM 518 CB GLN A 32 -20.067 13.293 -21.171 1.00 0.00 C ATOM 519 CG GLN A 32 -20.760 11.954 -21.361 1.00 0.00 C ATOM 520 CD GLN A 32 -21.842 12.013 -22.422 1.00 0.00 C ATOM 521 OE1 GLN A 32 -21.582 11.796 -23.606 1.00 0.00 O ATOM 522 NE2 GLN A 32 -23.065 12.301 -22.008 1.00 0.00 N ATOM 0 H GLN A 32 -20.670 13.035 -18.794 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.278 12.522 -20.233 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -20.819 14.052 -20.955 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -19.586 13.578 -22.107 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -20.022 11.201 -21.639 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.198 11.637 -20.415 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -23.241 12.475 -21.018 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -23.832 12.349 -22.678 1.00 0.00 H new ATOM 531 N ASP A 33 -18.924 15.642 -19.412 1.00 0.00 N ATOM 532 CA ASP A 33 -18.396 17.001 -19.436 1.00 0.00 C ATOM 533 C ASP A 33 -17.229 17.121 -18.475 1.00 0.00 C ATOM 534 O ASP A 33 -16.208 17.732 -18.793 1.00 0.00 O ATOM 535 CB ASP A 33 -19.483 18.006 -19.056 1.00 0.00 C ATOM 536 CG ASP A 33 -19.218 19.405 -19.585 1.00 0.00 C ATOM 537 OD1 ASP A 33 -18.246 20.051 -19.144 1.00 0.00 O ATOM 538 OD2 ASP A 33 -20.006 19.870 -20.440 1.00 0.00 O ATOM 0 H ASP A 33 -19.786 15.532 -18.878 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.054 17.221 -20.447 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.442 17.656 -19.438 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.568 18.046 -17.970 1.00 0.00 H new ATOM 543 N VAL A 34 -17.389 16.518 -17.303 1.00 0.00 N ATOM 544 CA VAL A 34 -16.341 16.496 -16.294 1.00 0.00 C ATOM 545 C VAL A 34 -15.039 15.937 -16.862 1.00 0.00 C ATOM 546 O VAL A 34 -14.003 16.596 -16.814 1.00 0.00 O ATOM 547 CB VAL A 34 -16.759 15.661 -15.065 1.00 0.00 C ATOM 548 CG1 VAL A 34 -15.561 15.365 -14.177 1.00 0.00 C ATOM 549 CG2 VAL A 34 -17.841 16.381 -14.271 1.00 0.00 C ATOM 0 H VAL A 34 -18.244 16.034 -17.028 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.181 17.528 -15.982 1.00 0.00 H new ATOM 0 HB VAL A 34 -17.162 14.714 -15.423 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.882 14.776 -13.318 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.817 14.805 -14.744 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.124 16.302 -13.831 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -18.122 15.777 -13.409 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.462 17.345 -13.931 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -18.714 16.538 -14.905 1.00 0.00 H new ATOM 559 N GLN A 35 -15.098 14.731 -17.419 1.00 0.00 N ATOM 560 CA GLN A 35 -13.899 14.087 -17.945 1.00 0.00 C ATOM 561 C GLN A 35 -13.337 14.856 -19.138 1.00 0.00 C ATOM 562 O GLN A 35 -12.123 14.900 -19.344 1.00 0.00 O ATOM 563 CB GLN A 35 -14.186 12.631 -18.311 1.00 0.00 C ATOM 564 CG GLN A 35 -15.265 12.451 -19.366 1.00 0.00 C ATOM 565 CD GLN A 35 -15.764 11.019 -19.464 1.00 0.00 C ATOM 566 OE1 GLN A 35 -16.131 10.552 -20.543 1.00 0.00 O ATOM 567 NE2 GLN A 35 -15.822 10.322 -18.336 1.00 0.00 N ATOM 0 H GLN A 35 -15.954 14.185 -17.517 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.140 14.096 -17.163 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.265 12.170 -18.668 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.482 12.094 -17.410 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.104 13.108 -19.136 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.874 12.761 -20.335 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.509 10.742 -17.461 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.179 9.367 -18.345 1.00 0.00 H new ATOM 576 N ALA A 36 -14.224 15.474 -19.911 1.00 0.00 N ATOM 577 CA ALA A 36 -13.809 16.335 -21.013 1.00 0.00 C ATOM 578 C ALA A 36 -13.082 17.563 -20.471 1.00 0.00 C ATOM 579 O ALA A 36 -12.078 17.998 -21.027 1.00 0.00 O ATOM 580 CB ALA A 36 -15.008 16.751 -21.855 1.00 0.00 C ATOM 0 H ALA A 36 -15.234 15.395 -19.795 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.126 15.776 -21.653 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.675 17.393 -22.671 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.490 15.864 -22.265 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.718 17.295 -21.233 1.00 0.00 H new ATOM 586 N PHE A 37 -13.593 18.100 -19.371 1.00 0.00 N ATOM 587 CA PHE A 37 -12.974 19.236 -18.698 1.00 0.00 C ATOM 588 C PHE A 37 -11.614 18.846 -18.127 1.00 0.00 C ATOM 589 O PHE A 37 -10.653 19.618 -18.200 1.00 0.00 O ATOM 590 CB PHE A 37 -13.890 19.748 -17.583 1.00 0.00 C ATOM 591 CG PHE A 37 -13.266 20.803 -16.718 1.00 0.00 C ATOM 592 CD1 PHE A 37 -13.027 22.072 -17.214 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.928 20.522 -15.406 1.00 0.00 C ATOM 594 CE1 PHE A 37 -12.460 23.044 -16.417 1.00 0.00 C ATOM 595 CE2 PHE A 37 -12.360 21.490 -14.603 1.00 0.00 C ATOM 596 CZ PHE A 37 -12.126 22.755 -15.109 1.00 0.00 C ATOM 0 H PHE A 37 -14.444 17.763 -18.921 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.825 20.032 -19.427 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.800 20.150 -18.030 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -14.187 18.907 -16.956 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.287 22.304 -18.236 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.110 19.535 -15.006 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.277 24.031 -16.816 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.099 21.260 -13.581 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.683 23.515 -14.483 1.00 0.00 H new ATOM 606 N LEU A 38 -11.543 17.642 -17.564 1.00 0.00 N ATOM 607 CA LEU A 38 -10.303 17.124 -16.999 1.00 0.00 C ATOM 608 C LEU A 38 -9.190 17.090 -18.036 1.00 0.00 C ATOM 609 O LEU A 38 -8.076 17.518 -17.766 1.00 0.00 O ATOM 610 CB LEU A 38 -10.515 15.724 -16.419 1.00 0.00 C ATOM 611 CG LEU A 38 -10.665 15.665 -14.899 1.00 0.00 C ATOM 612 CD1 LEU A 38 -9.455 16.294 -14.230 1.00 0.00 C ATOM 613 CD2 LEU A 38 -11.941 16.356 -14.447 1.00 0.00 C ATOM 0 H LEU A 38 -12.336 17.005 -17.488 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.004 17.800 -16.198 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.406 15.291 -16.873 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.673 15.096 -16.710 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.729 14.618 -14.603 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.572 16.247 -13.147 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.555 15.752 -14.522 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.368 17.335 -14.540 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.021 16.298 -13.361 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.917 17.402 -14.754 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.801 15.864 -14.901 1.00 0.00 H new ATOM 625 N LYS A 39 -9.502 16.601 -19.227 1.00 0.00 N ATOM 626 CA LYS A 39 -8.502 16.501 -20.284 1.00 0.00 C ATOM 627 C LYS A 39 -8.294 17.849 -20.961 1.00 0.00 C ATOM 628 O LYS A 39 -7.272 18.083 -21.601 1.00 0.00 O ATOM 629 CB LYS A 39 -8.901 15.438 -21.309 1.00 0.00 C ATOM 630 CG LYS A 39 -10.232 15.699 -21.992 1.00 0.00 C ATOM 631 CD LYS A 39 -10.619 14.553 -22.912 1.00 0.00 C ATOM 632 CE LYS A 39 -9.659 14.412 -24.086 1.00 0.00 C ATOM 633 NZ LYS A 39 -10.021 13.264 -24.959 1.00 0.00 N ATOM 0 H LYS A 39 -10.431 16.269 -19.486 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.558 16.199 -19.830 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.122 15.372 -22.069 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.944 14.469 -20.812 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.007 15.840 -21.239 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.173 16.624 -22.566 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.636 13.623 -22.344 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.629 14.716 -23.288 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.664 15.331 -24.672 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.644 14.279 -23.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.345 13.200 -25.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.992 12.384 -24.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.980 13.404 -25.336 1.00 0.00 H new ATOM 647 N GLU A 40 -9.273 18.729 -20.818 1.00 0.00 N ATOM 648 CA GLU A 40 -9.179 20.084 -21.345 1.00 0.00 C ATOM 649 C GLU A 40 -8.130 20.870 -20.573 1.00 0.00 C ATOM 650 O GLU A 40 -7.214 21.457 -21.147 1.00 0.00 O ATOM 651 CB GLU A 40 -10.532 20.790 -21.221 1.00 0.00 C ATOM 652 CG GLU A 40 -10.601 22.134 -21.926 1.00 0.00 C ATOM 653 CD GLU A 40 -11.964 22.780 -21.807 1.00 0.00 C ATOM 654 OE1 GLU A 40 -12.839 22.492 -22.651 1.00 0.00 O ATOM 655 OE2 GLU A 40 -12.174 23.582 -20.873 1.00 0.00 O ATOM 0 H GLU A 40 -10.150 18.527 -20.337 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.893 20.031 -22.396 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.307 20.140 -21.627 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.758 20.935 -20.165 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.848 22.801 -21.505 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.356 22.001 -22.980 1.00 0.00 H new ATOM 662 N ASN A 41 -8.274 20.858 -19.258 1.00 0.00 N ATOM 663 CA ASN A 41 -7.392 21.610 -18.375 1.00 0.00 C ATOM 664 C ASN A 41 -6.434 20.687 -17.631 1.00 0.00 C ATOM 665 O ASN A 41 -5.987 21.007 -16.532 1.00 0.00 O ATOM 666 CB ASN A 41 -8.214 22.423 -17.369 1.00 0.00 C ATOM 667 CG ASN A 41 -8.821 23.669 -17.984 1.00 0.00 C ATOM 668 OD1 ASN A 41 -8.212 24.736 -17.974 1.00 0.00 O ATOM 669 ND2 ASN A 41 -10.024 23.545 -18.523 1.00 0.00 N ATOM 0 H ASN A 41 -9.000 20.331 -18.773 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.803 22.288 -18.993 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.010 21.797 -16.965 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.577 22.709 -16.532 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.477 24.353 -18.950 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.497 22.642 -18.511 1.00 0.00 H new ATOM 676 N GLU A 42 -6.081 19.567 -18.253 1.00 0.00 N ATOM 677 CA GLU A 42 -5.185 18.592 -17.628 1.00 0.00 C ATOM 678 C GLU A 42 -3.801 19.192 -17.416 1.00 0.00 C ATOM 679 O GLU A 42 -2.991 18.674 -16.649 1.00 0.00 O ATOM 680 CB GLU A 42 -5.079 17.322 -18.480 1.00 0.00 C ATOM 681 CG GLU A 42 -4.482 17.547 -19.860 1.00 0.00 C ATOM 682 CD GLU A 42 -4.334 16.258 -20.641 1.00 0.00 C ATOM 683 OE1 GLU A 42 -3.868 15.256 -20.057 1.00 0.00 O ATOM 684 OE2 GLU A 42 -4.679 16.239 -21.841 1.00 0.00 O ATOM 0 H GLU A 42 -6.399 19.309 -19.187 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.606 18.326 -16.658 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.471 16.590 -17.948 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.073 16.889 -18.592 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.115 18.237 -20.419 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.506 18.021 -19.758 1.00 0.00 H new ATOM 691 N GLU A 43 -3.550 20.297 -18.100 1.00 0.00 N ATOM 692 CA GLU A 43 -2.289 21.010 -17.994 1.00 0.00 C ATOM 693 C GLU A 43 -2.218 21.782 -16.679 1.00 0.00 C ATOM 694 O GLU A 43 -1.137 22.137 -16.210 1.00 0.00 O ATOM 695 CB GLU A 43 -2.159 21.970 -19.179 1.00 0.00 C ATOM 696 CG GLU A 43 -0.836 22.713 -19.248 1.00 0.00 C ATOM 697 CD GLU A 43 -0.813 23.729 -20.368 1.00 0.00 C ATOM 698 OE1 GLU A 43 -0.683 23.321 -21.542 1.00 0.00 O ATOM 699 OE2 GLU A 43 -0.929 24.938 -20.078 1.00 0.00 O ATOM 0 H GLU A 43 -4.216 20.724 -18.744 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.467 20.294 -18.010 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.293 21.407 -20.103 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.968 22.699 -19.130 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.653 23.216 -18.299 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.026 21.998 -19.391 1.00 0.00 H new ATOM 706 N VAL A 44 -3.377 22.025 -16.081 1.00 0.00 N ATOM 707 CA VAL A 44 -3.462 22.863 -14.890 1.00 0.00 C ATOM 708 C VAL A 44 -4.026 22.089 -13.698 1.00 0.00 C ATOM 709 O VAL A 44 -3.592 22.279 -12.562 1.00 0.00 O ATOM 710 CB VAL A 44 -4.348 24.103 -15.151 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.339 25.040 -13.952 1.00 0.00 C ATOM 712 CG2 VAL A 44 -3.894 24.836 -16.403 1.00 0.00 C ATOM 0 H VAL A 44 -4.272 21.654 -16.400 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.447 23.183 -14.654 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.370 23.758 -15.306 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.970 25.904 -14.161 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.722 24.515 -13.077 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.319 25.373 -13.758 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.531 25.705 -16.567 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.861 25.162 -16.280 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.963 24.168 -17.261 1.00 0.00 H new ATOM 722 N ILE A 45 -4.990 21.217 -13.966 1.00 0.00 N ATOM 723 CA ILE A 45 -5.693 20.497 -12.910 1.00 0.00 C ATOM 724 C ILE A 45 -4.823 19.405 -12.287 1.00 0.00 C ATOM 725 O ILE A 45 -4.089 18.697 -12.980 1.00 0.00 O ATOM 726 CB ILE A 45 -6.997 19.857 -13.436 1.00 0.00 C ATOM 727 CG1 ILE A 45 -7.917 20.921 -14.036 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.718 19.110 -12.320 1.00 0.00 C ATOM 729 CD1 ILE A 45 -9.177 20.347 -14.647 1.00 0.00 C ATOM 0 H ILE A 45 -5.304 20.990 -14.910 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.934 21.236 -12.146 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.732 19.145 -14.217 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.191 21.635 -13.259 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.371 21.475 -14.800 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.634 18.667 -12.711 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.071 18.323 -11.932 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.965 19.805 -11.518 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.785 21.155 -15.054 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.911 19.655 -15.446 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.744 19.817 -13.881 1.00 0.00 H new ATOM 741 N ASP A 46 -4.930 19.282 -10.974 1.00 0.00 N ATOM 742 CA ASP A 46 -4.237 18.246 -10.217 1.00 0.00 C ATOM 743 C ASP A 46 -5.229 17.207 -9.719 1.00 0.00 C ATOM 744 O ASP A 46 -6.435 17.455 -9.697 1.00 0.00 O ATOM 745 CB ASP A 46 -3.523 18.842 -9.001 1.00 0.00 C ATOM 746 CG ASP A 46 -2.177 19.446 -9.325 1.00 0.00 C ATOM 747 OD1 ASP A 46 -1.196 18.682 -9.446 1.00 0.00 O ATOM 748 OD2 ASP A 46 -2.083 20.687 -9.405 1.00 0.00 O ATOM 0 H ASP A 46 -5.502 19.900 -10.398 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.507 17.786 -10.883 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.158 19.608 -8.557 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.391 18.063 -8.250 1.00 0.00 H new ATOM 753 N GLN A 47 -4.725 16.060 -9.280 1.00 0.00 N ATOM 754 CA GLN A 47 -5.575 15.068 -8.632 1.00 0.00 C ATOM 755 C GLN A 47 -6.039 15.628 -7.295 1.00 0.00 C ATOM 756 O GLN A 47 -7.178 15.430 -6.872 1.00 0.00 O ATOM 757 CB GLN A 47 -4.826 13.754 -8.409 1.00 0.00 C ATOM 758 CG GLN A 47 -4.252 13.143 -9.675 1.00 0.00 C ATOM 759 CD GLN A 47 -3.575 11.814 -9.415 1.00 0.00 C ATOM 760 OE1 GLN A 47 -3.066 11.570 -8.323 1.00 0.00 O ATOM 761 NE2 GLN A 47 -3.553 10.950 -10.415 1.00 0.00 N ATOM 0 H GLN A 47 -3.743 15.795 -9.359 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.429 14.858 -9.277 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.015 13.927 -7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.504 13.036 -7.947 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.051 13.005 -10.404 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.534 13.834 -10.116 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.987 11.190 -11.306 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.102 10.043 -10.295 1.00 0.00 H new ATOM 770 N LYS A 48 -5.127 16.355 -6.654 1.00 0.00 N ATOM 771 CA LYS A 48 -5.410 17.069 -5.415 1.00 0.00 C ATOM 772 C LYS A 48 -6.562 18.046 -5.621 1.00 0.00 C ATOM 773 O LYS A 48 -7.462 18.155 -4.791 1.00 0.00 O ATOM 774 CB LYS A 48 -4.160 17.837 -4.974 1.00 0.00 C ATOM 775 CG LYS A 48 -2.951 16.944 -4.718 1.00 0.00 C ATOM 776 CD LYS A 48 -1.666 17.750 -4.567 1.00 0.00 C ATOM 777 CE LYS A 48 -1.342 18.520 -5.838 1.00 0.00 C ATOM 778 NZ LYS A 48 0.003 19.154 -5.782 1.00 0.00 N ATOM 0 H LYS A 48 -4.167 16.465 -6.982 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.691 16.349 -4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.904 18.569 -5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.388 18.394 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.119 16.357 -3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.841 16.238 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.767 18.446 -3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.841 17.080 -4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.388 17.844 -6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.098 19.289 -5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.182 19.668 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.041 19.819 -4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.728 18.419 -5.655 1.00 0.00 H new ATOM 792 N MET A 49 -6.511 18.751 -6.746 1.00 0.00 N ATOM 793 CA MET A 49 -7.539 19.711 -7.117 1.00 0.00 C ATOM 794 C MET A 49 -8.901 19.030 -7.237 1.00 0.00 C ATOM 795 O MET A 49 -9.923 19.603 -6.862 1.00 0.00 O ATOM 796 CB MET A 49 -7.170 20.370 -8.448 1.00 0.00 C ATOM 797 CG MET A 49 -8.014 21.579 -8.789 1.00 0.00 C ATOM 798 SD MET A 49 -7.533 22.350 -10.348 1.00 0.00 S ATOM 799 CE MET A 49 -5.835 22.812 -10.003 1.00 0.00 C ATOM 0 H MET A 49 -5.754 18.671 -7.425 1.00 0.00 H new ATOM 0 HA MET A 49 -7.602 20.470 -6.337 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.122 20.668 -8.416 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.268 19.634 -9.246 1.00 0.00 H new ATOM 0 HG2 MET A 49 -9.061 21.282 -8.844 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.932 22.312 -7.986 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.626 23.786 -10.446 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.684 22.864 -8.925 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.162 22.068 -10.429 1.00 0.00 H new ATOM 809 N ILE A 50 -8.899 17.801 -7.750 1.00 0.00 N ATOM 810 CA ILE A 50 -10.127 17.030 -7.921 1.00 0.00 C ATOM 811 C ILE A 50 -10.787 16.738 -6.575 1.00 0.00 C ATOM 812 O ILE A 50 -11.946 17.064 -6.377 1.00 0.00 O ATOM 813 CB ILE A 50 -9.859 15.705 -8.673 1.00 0.00 C ATOM 814 CG1 ILE A 50 -9.384 16.000 -10.097 1.00 0.00 C ATOM 815 CG2 ILE A 50 -11.101 14.823 -8.693 1.00 0.00 C ATOM 816 CD1 ILE A 50 -10.358 16.838 -10.901 1.00 0.00 C ATOM 0 H ILE A 50 -8.055 17.316 -8.056 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.807 17.637 -8.519 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.076 15.162 -8.144 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.425 16.516 -10.051 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.214 15.057 -10.617 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.882 13.899 -9.228 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.397 14.589 -7.671 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.913 15.349 -9.195 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.955 17.007 -11.899 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.311 16.314 -10.978 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.510 17.796 -10.404 1.00 0.00 H new ATOM 828 N GLU A 51 -10.033 16.136 -5.664 1.00 0.00 N ATOM 829 CA GLU A 51 -10.497 15.857 -4.303 1.00 0.00 C ATOM 830 C GLU A 51 -11.085 17.105 -3.646 1.00 0.00 C ATOM 831 O GLU A 51 -12.166 17.060 -3.054 1.00 0.00 O ATOM 832 CB GLU A 51 -9.331 15.348 -3.447 1.00 0.00 C ATOM 833 CG GLU A 51 -8.705 14.056 -3.944 1.00 0.00 C ATOM 834 CD GLU A 51 -9.633 12.863 -3.814 1.00 0.00 C ATOM 835 OE1 GLU A 51 -9.937 12.462 -2.668 1.00 0.00 O ATOM 836 OE2 GLU A 51 -10.050 12.312 -4.849 1.00 0.00 O ATOM 0 H GLU A 51 -9.079 15.825 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.276 15.097 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.561 16.119 -3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.684 15.198 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.419 14.175 -4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.791 13.862 -3.383 1.00 0.00 H new ATOM 843 N LYS A 52 -10.371 18.218 -3.758 1.00 0.00 N ATOM 844 CA LYS A 52 -10.792 19.462 -3.125 1.00 0.00 C ATOM 845 C LYS A 52 -12.044 20.036 -3.773 1.00 0.00 C ATOM 846 O LYS A 52 -12.926 20.551 -3.089 1.00 0.00 O ATOM 847 CB LYS A 52 -9.674 20.494 -3.176 1.00 0.00 C ATOM 848 CG LYS A 52 -8.472 20.117 -2.336 1.00 0.00 C ATOM 849 CD LYS A 52 -7.576 21.315 -2.120 1.00 0.00 C ATOM 850 CE LYS A 52 -6.414 20.988 -1.200 1.00 0.00 C ATOM 851 NZ LYS A 52 -5.651 22.208 -0.826 1.00 0.00 N ATOM 0 H LYS A 52 -9.498 18.285 -4.281 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.025 19.227 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.358 20.626 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.060 21.455 -2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.802 19.725 -1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.912 19.322 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.194 21.661 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.158 22.133 -1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.788 20.502 -0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.748 20.279 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.865 21.947 -0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.273 22.658 -1.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.281 22.874 -0.335 1.00 0.00 H new ATOM 865 N SER A 53 -12.126 19.937 -5.087 1.00 0.00 N ATOM 866 CA SER A 53 -13.239 20.526 -5.821 1.00 0.00 C ATOM 867 C SER A 53 -14.250 19.452 -6.201 1.00 0.00 C ATOM 868 O SER A 53 -15.103 19.653 -7.064 1.00 0.00 O ATOM 869 CB SER A 53 -12.717 21.224 -7.073 1.00 0.00 C ATOM 870 OG SER A 53 -11.581 22.019 -6.768 1.00 0.00 O ATOM 0 H SER A 53 -11.440 19.457 -5.669 1.00 0.00 H new ATOM 0 HA SER A 53 -13.736 21.258 -5.184 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.456 20.482 -7.827 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.501 21.850 -7.500 1.00 0.00 H new ATOM 0 HG SER A 53 -10.785 21.449 -6.723 1.00 0.00 H new ATOM 876 N LEU A 54 -14.152 18.318 -5.529 1.00 0.00 N ATOM 877 CA LEU A 54 -14.961 17.155 -5.843 1.00 0.00 C ATOM 878 C LEU A 54 -16.427 17.443 -5.572 1.00 0.00 C ATOM 879 O LEU A 54 -17.301 17.110 -6.376 1.00 0.00 O ATOM 880 CB LEU A 54 -14.467 15.969 -5.012 1.00 0.00 C ATOM 881 CG LEU A 54 -14.656 14.590 -5.636 1.00 0.00 C ATOM 882 CD1 LEU A 54 -16.091 14.137 -5.526 1.00 0.00 C ATOM 883 CD2 LEU A 54 -14.208 14.584 -7.090 1.00 0.00 C ATOM 0 H LEU A 54 -13.509 18.178 -4.750 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.865 16.911 -6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.406 16.111 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.982 15.985 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.033 13.888 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -16.197 13.151 -5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.377 14.086 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.737 14.846 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.353 13.589 -7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.796 15.307 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.153 14.852 -7.147 1.00 0.00 H new ATOM 895 N ASN A 55 -16.680 18.077 -4.437 1.00 0.00 N ATOM 896 CA ASN A 55 -18.025 18.507 -4.070 1.00 0.00 C ATOM 897 C ASN A 55 -18.607 19.432 -5.138 1.00 0.00 C ATOM 898 O ASN A 55 -19.805 19.397 -5.405 1.00 0.00 O ATOM 899 CB ASN A 55 -18.020 19.210 -2.703 1.00 0.00 C ATOM 900 CG ASN A 55 -17.282 20.539 -2.714 1.00 0.00 C ATOM 901 OD1 ASN A 55 -16.065 20.587 -2.534 1.00 0.00 O ATOM 902 ND2 ASN A 55 -18.013 21.624 -2.911 1.00 0.00 N ATOM 0 H ASN A 55 -15.965 18.308 -3.747 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.654 17.620 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.049 19.376 -2.384 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -17.560 18.553 -1.966 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.570 22.543 -2.917 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -19.019 21.542 -3.056 1.00 0.00 H new ATOM 909 N LYS A 56 -17.750 20.243 -5.758 1.00 0.00 N ATOM 910 CA LYS A 56 -18.176 21.144 -6.825 1.00 0.00 C ATOM 911 C LYS A 56 -18.606 20.359 -8.056 1.00 0.00 C ATOM 912 O LYS A 56 -19.714 20.532 -8.560 1.00 0.00 O ATOM 913 CB LYS A 56 -17.045 22.107 -7.204 1.00 0.00 C ATOM 914 CG LYS A 56 -16.846 23.250 -6.227 1.00 0.00 C ATOM 915 CD LYS A 56 -18.032 24.201 -6.247 1.00 0.00 C ATOM 916 CE LYS A 56 -17.752 25.459 -5.443 1.00 0.00 C ATOM 917 NZ LYS A 56 -18.920 26.375 -5.431 1.00 0.00 N ATOM 0 H LYS A 56 -16.755 20.293 -5.538 1.00 0.00 H new ATOM 0 HA LYS A 56 -19.026 21.718 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.115 21.544 -7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.251 22.520 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.711 22.853 -5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.936 23.794 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.266 24.471 -7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -18.910 23.698 -5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -17.493 25.187 -4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.889 25.975 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -18.691 27.222 -4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -19.152 26.655 -6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -19.737 25.891 -5.006 1.00 0.00 H new ATOM 931 N LEU A 57 -17.728 19.487 -8.523 1.00 0.00 N ATOM 932 CA LEU A 57 -17.985 18.713 -9.730 1.00 0.00 C ATOM 933 C LEU A 57 -19.194 17.799 -9.560 1.00 0.00 C ATOM 934 O LEU A 57 -20.001 17.656 -10.476 1.00 0.00 O ATOM 935 CB LEU A 57 -16.751 17.897 -10.120 1.00 0.00 C ATOM 936 CG LEU A 57 -15.722 18.632 -10.989 1.00 0.00 C ATOM 937 CD1 LEU A 57 -15.193 19.871 -10.287 1.00 0.00 C ATOM 938 CD2 LEU A 57 -14.577 17.704 -11.359 1.00 0.00 C ATOM 0 H LEU A 57 -16.827 19.296 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 57 -18.208 19.417 -10.532 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.257 17.560 -9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.080 17.005 -10.653 1.00 0.00 H new ATOM 0 HG LEU A 57 -16.224 18.951 -11.903 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.466 20.370 -10.928 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.019 20.551 -10.077 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.714 19.582 -9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.857 18.242 -11.975 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.086 17.352 -10.452 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.965 16.851 -11.916 1.00 0.00 H new ATOM 950 N TYR A 58 -19.326 17.197 -8.384 1.00 0.00 N ATOM 951 CA TYR A 58 -20.466 16.336 -8.107 1.00 0.00 C ATOM 952 C TYR A 58 -21.748 17.155 -8.052 1.00 0.00 C ATOM 953 O TYR A 58 -22.782 16.746 -8.572 1.00 0.00 O ATOM 954 CB TYR A 58 -20.272 15.575 -6.796 1.00 0.00 C ATOM 955 CG TYR A 58 -21.315 14.502 -6.581 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.361 13.392 -7.409 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.257 14.604 -5.565 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.311 12.410 -7.233 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.214 13.623 -5.381 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.236 12.528 -6.216 1.00 0.00 C ATOM 961 OH TYR A 58 -24.187 11.548 -6.042 1.00 0.00 O ATOM 0 H TYR A 58 -18.663 17.289 -7.614 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.544 15.610 -8.916 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.282 15.119 -6.789 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.305 16.279 -5.964 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.639 13.295 -8.207 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.242 15.462 -4.909 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -22.332 11.552 -7.888 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -23.940 13.715 -4.587 1.00 0.00 H new ATOM 0 HH TYR A 58 -24.761 11.781 -5.283 1.00 0.00 H new ATOM 971 N GLU A 59 -21.665 18.321 -7.431 1.00 0.00 N ATOM 972 CA GLU A 59 -22.805 19.220 -7.335 1.00 0.00 C ATOM 973 C GLU A 59 -23.236 19.666 -8.729 1.00 0.00 C ATOM 974 O GLU A 59 -24.428 19.718 -9.038 1.00 0.00 O ATOM 975 CB GLU A 59 -22.428 20.421 -6.464 1.00 0.00 C ATOM 976 CG GLU A 59 -23.596 21.298 -6.056 1.00 0.00 C ATOM 977 CD GLU A 59 -23.259 22.165 -4.858 1.00 0.00 C ATOM 978 OE1 GLU A 59 -22.696 23.261 -5.040 1.00 0.00 O ATOM 979 OE2 GLU A 59 -23.534 21.732 -3.717 1.00 0.00 O ATOM 0 H GLU A 59 -20.816 18.668 -6.984 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.646 18.703 -6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.931 20.058 -5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.704 21.031 -7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.884 21.933 -6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.456 20.671 -5.820 1.00 0.00 H new ATOM 986 N TYR A 60 -22.244 19.952 -9.566 1.00 0.00 N ATOM 987 CA TYR A 60 -22.462 20.359 -10.948 1.00 0.00 C ATOM 988 C TYR A 60 -23.291 19.332 -11.719 1.00 0.00 C ATOM 989 O TYR A 60 -24.305 19.679 -12.323 1.00 0.00 O ATOM 990 CB TYR A 60 -21.108 20.574 -11.640 1.00 0.00 C ATOM 991 CG TYR A 60 -21.206 20.784 -13.134 1.00 0.00 C ATOM 992 CD1 TYR A 60 -21.669 21.982 -13.659 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.835 19.777 -14.020 1.00 0.00 C ATOM 994 CE1 TYR A 60 -21.763 22.168 -15.020 1.00 0.00 C ATOM 995 CE2 TYR A 60 -20.928 19.962 -15.387 1.00 0.00 C ATOM 996 CZ TYR A 60 -21.395 21.161 -15.879 1.00 0.00 C ATOM 997 OH TYR A 60 -21.494 21.360 -17.237 1.00 0.00 O ATOM 0 H TYR A 60 -21.260 19.907 -9.302 1.00 0.00 H new ATOM 0 HA TYR A 60 -23.025 21.293 -10.940 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -20.617 21.439 -11.194 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -20.472 19.711 -11.446 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -21.960 22.779 -12.991 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -20.469 18.837 -13.634 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -22.126 23.106 -15.413 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -20.637 19.173 -16.064 1.00 0.00 H new ATOM 0 HH TYR A 60 -21.715 22.298 -17.415 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.861 18.074 -11.688 1.00 0.00 N ATOM 1008 CA ILE A 61 -23.501 17.026 -12.481 1.00 0.00 C ATOM 1009 C ILE A 61 -24.902 16.692 -11.965 1.00 0.00 C ATOM 1010 O ILE A 61 -25.770 16.274 -12.731 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.644 15.739 -12.545 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.465 15.127 -11.155 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -21.291 16.050 -13.166 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -21.693 13.825 -11.152 1.00 0.00 C ATOM 0 H ILE A 61 -22.074 17.755 -11.124 1.00 0.00 H new ATOM 0 HA ILE A 61 -23.592 17.427 -13.490 1.00 0.00 H new ATOM 0 HB ILE A 61 -23.163 15.010 -13.167 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -21.950 15.845 -10.517 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.447 14.956 -10.715 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.692 15.140 -13.208 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -21.434 16.437 -14.175 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.776 16.796 -12.561 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.608 13.454 -10.130 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -22.217 13.090 -11.762 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.697 13.992 -11.561 1.00 0.00 H new ATOM 1026 N GLU A 62 -25.118 16.855 -10.663 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.425 16.587 -10.070 1.00 0.00 C ATOM 1028 C GLU A 62 -27.384 17.747 -10.318 1.00 0.00 C ATOM 1029 O GLU A 62 -28.601 17.610 -10.157 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.285 16.346 -8.569 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.362 15.194 -8.223 1.00 0.00 C ATOM 1032 CD GLU A 62 -25.905 13.842 -8.646 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -27.027 13.487 -8.224 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -25.207 13.113 -9.382 1.00 0.00 O ATOM 0 H GLU A 62 -24.409 17.170 -10.001 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.832 15.693 -10.541 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.911 17.255 -8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -27.271 16.150 -8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.396 15.355 -8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.188 15.187 -7.147 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.829 18.894 -10.681 1.00 0.00 N ATOM 1042 CA GLN A 63 -27.635 20.077 -10.975 1.00 0.00 C ATOM 1043 C GLN A 63 -28.184 20.053 -12.402 1.00 0.00 C ATOM 1044 O GLN A 63 -28.011 19.083 -13.140 1.00 0.00 O ATOM 1045 CB GLN A 63 -26.823 21.355 -10.767 1.00 0.00 C ATOM 1046 CG GLN A 63 -26.662 21.750 -9.307 1.00 0.00 C ATOM 1047 CD GLN A 63 -25.823 23.001 -9.118 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -26.038 23.768 -8.182 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -24.852 23.209 -9.996 1.00 0.00 N ATOM 0 H GLN A 63 -25.824 19.034 -10.780 1.00 0.00 H new ATOM 0 HA GLN A 63 -28.476 20.064 -10.282 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.835 21.223 -11.209 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -27.305 22.172 -11.304 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -27.647 21.911 -8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -26.202 20.925 -8.762 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.705 22.549 -10.760 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -24.252 24.029 -9.908 1.00 0.00 H new ATOM 1058 N SER A 64 -28.846 21.140 -12.777 1.00 0.00 N ATOM 1059 CA SER A 64 -29.445 21.269 -14.095 1.00 0.00 C ATOM 1060 C SER A 64 -28.377 21.514 -15.161 1.00 0.00 C ATOM 1061 O SER A 64 -27.707 22.548 -15.161 1.00 0.00 O ATOM 1062 CB SER A 64 -30.462 22.410 -14.079 1.00 0.00 C ATOM 1063 OG SER A 64 -29.918 23.560 -13.451 1.00 0.00 O ATOM 0 H SER A 64 -28.981 21.954 -12.177 1.00 0.00 H new ATOM 0 HA SER A 64 -29.952 20.337 -14.346 1.00 0.00 H new ATOM 0 HB2 SER A 64 -30.759 22.653 -15.099 1.00 0.00 H new ATOM 0 HB3 SER A 64 -31.362 22.094 -13.552 1.00 0.00 H new ATOM 0 HG SER A 64 -28.994 23.689 -13.750 1.00 0.00 H new ATOM 1069 N LYS A 65 -28.233 20.553 -16.061 1.00 0.00 N ATOM 1070 CA LYS A 65 -27.216 20.600 -17.105 1.00 0.00 C ATOM 1071 C LYS A 65 -27.568 21.609 -18.200 1.00 0.00 C ATOM 1072 O LYS A 65 -26.688 22.163 -18.863 1.00 0.00 O ATOM 1073 CB LYS A 65 -27.064 19.202 -17.718 1.00 0.00 C ATOM 1074 CG LYS A 65 -26.045 19.126 -18.844 1.00 0.00 C ATOM 1075 CD LYS A 65 -24.635 19.347 -18.329 1.00 0.00 C ATOM 1076 CE LYS A 65 -23.627 19.382 -19.461 1.00 0.00 C ATOM 1077 NZ LYS A 65 -22.240 19.473 -18.947 1.00 0.00 N ATOM 0 H LYS A 65 -28.817 19.717 -16.090 1.00 0.00 H new ATOM 0 HA LYS A 65 -26.278 20.922 -16.653 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -26.776 18.502 -16.934 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -28.033 18.875 -18.096 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -26.108 18.152 -19.329 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -26.279 19.875 -19.600 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -24.592 20.284 -17.774 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -24.373 18.551 -17.632 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.732 18.485 -20.072 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.834 20.235 -20.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -21.579 19.563 -19.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -22.153 20.305 -18.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -22.013 18.614 -18.406 1.00 0.00 H new ATOM 1091 N ASN A 66 -28.853 21.845 -18.386 1.00 0.00 N ATOM 1092 CA ASN A 66 -29.325 22.613 -19.528 1.00 0.00 C ATOM 1093 C ASN A 66 -29.977 23.921 -19.078 1.00 0.00 C ATOM 1094 O ASN A 66 -29.903 24.295 -17.909 1.00 0.00 O ATOM 1095 CB ASN A 66 -30.322 21.756 -20.315 1.00 0.00 C ATOM 1096 CG ASN A 66 -30.376 22.092 -21.790 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -30.173 23.233 -22.181 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -30.651 21.097 -22.615 1.00 0.00 N ATOM 0 H ASN A 66 -29.590 21.517 -17.762 1.00 0.00 H new ATOM 0 HA ASN A 66 -28.479 22.874 -20.164 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -30.056 20.705 -20.200 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -31.316 21.882 -19.885 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -30.700 21.266 -23.620 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -30.814 20.160 -22.247 1.00 0.00 H new ATOM 1105 N CYS A 67 -30.616 24.615 -20.014 1.00 0.00 N ATOM 1106 CA CYS A 67 -31.352 25.823 -19.700 1.00 0.00 C ATOM 1107 C CYS A 67 -32.695 25.766 -20.394 1.00 0.00 C ATOM 1108 O CYS A 67 -32.789 25.321 -21.542 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.606 27.085 -20.131 1.00 0.00 C ATOM 1110 SG CYS A 67 -30.957 27.656 -21.835 1.00 0.00 S ATOM 0 H CYS A 67 -30.636 24.355 -21.000 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.474 25.874 -18.618 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -30.854 27.889 -19.438 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.535 26.904 -20.039 1.00 0.00 H new ATOM 0 HG CYS A 67 -30.960 26.637 -22.642 1.00 0.00 H new ATOM 1115 N SER A 68 -33.702 26.279 -19.732 1.00 0.00 N ATOM 1116 CA SER A 68 -35.086 26.102 -20.176 1.00 0.00 C ATOM 1117 C SER A 68 -35.377 26.931 -21.428 1.00 0.00 C ATOM 1118 O SER A 68 -36.407 26.760 -22.075 1.00 0.00 O ATOM 1119 CB SER A 68 -36.056 26.469 -19.050 1.00 0.00 C ATOM 1120 OG SER A 68 -37.381 26.069 -19.356 1.00 0.00 O ATOM 0 H SER A 68 -33.601 26.827 -18.878 1.00 0.00 H new ATOM 0 HA SER A 68 -35.227 25.052 -20.432 1.00 0.00 H new ATOM 0 HB2 SER A 68 -35.736 25.993 -18.123 1.00 0.00 H new ATOM 0 HB3 SER A 68 -36.029 27.546 -18.882 1.00 0.00 H new ATOM 0 HG SER A 68 -37.523 26.120 -20.324 1.00 0.00 H new ATOM 1126 N TYR A 69 -34.459 27.828 -21.763 1.00 0.00 N ATOM 1127 CA TYR A 69 -34.554 28.616 -22.978 1.00 0.00 C ATOM 1128 C TYR A 69 -34.489 27.722 -24.214 1.00 0.00 C ATOM 1129 O TYR A 69 -35.088 28.024 -25.243 1.00 0.00 O ATOM 1130 CB TYR A 69 -33.403 29.620 -23.011 1.00 0.00 C ATOM 1131 CG TYR A 69 -33.582 30.719 -24.025 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -34.240 31.887 -23.685 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -33.098 30.587 -25.317 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -34.413 32.901 -24.604 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -33.267 31.594 -26.245 1.00 0.00 C ATOM 1136 CZ TYR A 69 -33.926 32.750 -25.884 1.00 0.00 C ATOM 1137 OH TYR A 69 -34.096 33.758 -26.804 1.00 0.00 O ATOM 0 H TYR A 69 -33.632 28.027 -21.201 1.00 0.00 H new ATOM 0 HA TYR A 69 -35.510 29.139 -22.985 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -33.294 30.065 -22.022 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -32.476 29.088 -23.225 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -34.625 32.007 -22.683 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -32.581 29.683 -25.602 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -34.927 33.808 -24.322 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -32.885 31.477 -27.249 1.00 0.00 H new ATOM 0 HH TYR A 69 -33.694 33.493 -27.657 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.754 26.622 -24.109 1.00 0.00 N ATOM 1148 CA CYS A 70 -33.516 25.773 -25.274 1.00 0.00 C ATOM 1149 C CYS A 70 -34.157 24.393 -25.120 1.00 0.00 C ATOM 1150 O CYS A 70 -34.369 23.690 -26.107 1.00 0.00 O ATOM 1151 CB CYS A 70 -32.015 25.629 -25.534 1.00 0.00 C ATOM 1152 SG CYS A 70 -31.109 24.771 -24.211 1.00 0.00 S ATOM 0 H CYS A 70 -33.318 26.299 -23.245 1.00 0.00 H new ATOM 0 HA CYS A 70 -33.984 26.261 -26.129 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -31.870 25.088 -26.469 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -31.584 26.621 -25.670 1.00 0.00 H new ATOM 0 HG CYS A 70 -31.760 24.890 -23.092 1.00 0.00 H new ATOM 1157 N SER A 71 -34.451 23.999 -23.888 1.00 0.00 N ATOM 1158 CA SER A 71 -35.090 22.719 -23.632 1.00 0.00 C ATOM 1159 C SER A 71 -36.494 22.930 -23.081 1.00 0.00 C ATOM 1160 O SER A 71 -36.727 23.859 -22.307 1.00 0.00 O ATOM 1161 CB SER A 71 -34.238 21.897 -22.662 1.00 0.00 C ATOM 1162 OG SER A 71 -33.828 22.682 -21.554 1.00 0.00 O ATOM 0 H SER A 71 -34.256 24.549 -23.051 1.00 0.00 H new ATOM 0 HA SER A 71 -35.175 22.168 -24.569 1.00 0.00 H new ATOM 0 HB2 SER A 71 -34.808 21.037 -22.311 1.00 0.00 H new ATOM 0 HB3 SER A 71 -33.362 21.509 -23.181 1.00 0.00 H new ATOM 0 HG SER A 71 -34.585 22.807 -20.944 1.00 0.00 H new ATOM 1168 N GLU A 72 -37.422 22.074 -23.482 1.00 0.00 N ATOM 1169 CA GLU A 72 -38.816 22.211 -23.079 1.00 0.00 C ATOM 1170 C GLU A 72 -39.210 21.058 -22.158 1.00 0.00 C ATOM 1171 O GLU A 72 -40.385 20.697 -22.042 1.00 0.00 O ATOM 1172 CB GLU A 72 -39.710 22.252 -24.319 1.00 0.00 C ATOM 1173 CG GLU A 72 -41.111 22.783 -24.054 1.00 0.00 C ATOM 1174 CD GLU A 72 -41.994 22.710 -25.279 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -42.628 21.655 -25.493 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -42.053 23.698 -26.037 1.00 0.00 O ATOM 0 H GLU A 72 -37.235 21.275 -24.088 1.00 0.00 H new ATOM 0 HA GLU A 72 -38.945 23.143 -22.530 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -39.234 22.874 -25.077 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -39.786 21.247 -24.733 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -41.567 22.211 -23.246 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -41.047 23.817 -23.716 1.00 0.00 H new ATOM 1183 N ASP A 73 -38.213 20.487 -21.501 1.00 0.00 N ATOM 1184 CA ASP A 73 -38.446 19.443 -20.518 1.00 0.00 C ATOM 1185 C ASP A 73 -39.042 20.044 -19.253 1.00 0.00 C ATOM 1186 O ASP A 73 -38.645 21.121 -18.812 1.00 0.00 O ATOM 1187 CB ASP A 73 -37.145 18.696 -20.195 1.00 0.00 C ATOM 1188 CG ASP A 73 -37.284 17.761 -19.006 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -38.279 17.014 -18.936 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -36.408 17.792 -18.119 1.00 0.00 O ATOM 0 H ASP A 73 -37.231 20.731 -21.632 1.00 0.00 H new ATOM 0 HA ASP A 73 -39.152 18.725 -20.936 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -36.834 18.123 -21.068 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -36.356 19.420 -19.992 1.00 0.00 H new ATOM 1195 N GLU A 74 -39.996 19.339 -18.680 1.00 0.00 N ATOM 1196 CA GLU A 74 -40.696 19.797 -17.488 1.00 0.00 C ATOM 1197 C GLU A 74 -39.730 19.941 -16.307 1.00 0.00 C ATOM 1198 O GLU A 74 -39.971 20.711 -15.379 1.00 0.00 O ATOM 1199 CB GLU A 74 -41.811 18.805 -17.142 1.00 0.00 C ATOM 1200 CG GLU A 74 -42.789 19.313 -16.098 1.00 0.00 C ATOM 1201 CD GLU A 74 -43.534 20.545 -16.561 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -44.342 20.441 -17.509 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -43.327 21.623 -15.972 1.00 0.00 O ATOM 0 H GLU A 74 -40.311 18.432 -19.024 1.00 0.00 H new ATOM 0 HA GLU A 74 -41.129 20.777 -17.689 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -42.361 18.561 -18.051 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -41.361 17.879 -16.783 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -43.505 18.526 -15.861 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -42.250 19.541 -15.179 1.00 0.00 H new ATOM 1210 N ASN A 75 -38.623 19.212 -16.355 1.00 0.00 N ATOM 1211 CA ASN A 75 -37.689 19.178 -15.236 1.00 0.00 C ATOM 1212 C ASN A 75 -36.465 20.051 -15.497 1.00 0.00 C ATOM 1213 O ASN A 75 -35.589 20.172 -14.639 1.00 0.00 O ATOM 1214 CB ASN A 75 -37.236 17.741 -14.967 1.00 0.00 C ATOM 1215 CG ASN A 75 -38.386 16.749 -14.949 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -39.011 16.511 -13.912 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -38.670 16.162 -16.103 1.00 0.00 N ATOM 0 H ASN A 75 -38.350 18.638 -17.153 1.00 0.00 H new ATOM 0 HA ASN A 75 -38.212 19.571 -14.364 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -36.519 17.443 -15.732 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -36.716 17.703 -14.010 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -39.431 15.485 -16.157 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -38.128 16.388 -16.937 1.00 0.00 H new ATOM 1224 N CYS A 76 -36.402 20.674 -16.668 1.00 0.00 N ATOM 1225 CA CYS A 76 -35.213 21.428 -17.056 1.00 0.00 C ATOM 1226 C CYS A 76 -35.335 22.901 -16.686 1.00 0.00 C ATOM 1227 O CYS A 76 -34.616 23.746 -17.226 1.00 0.00 O ATOM 1228 CB CYS A 76 -34.949 21.287 -18.559 1.00 0.00 C ATOM 1229 SG CYS A 76 -36.120 22.176 -19.615 1.00 0.00 S ATOM 0 H CYS A 76 -37.151 20.673 -17.360 1.00 0.00 H new ATOM 0 HA CYS A 76 -34.371 21.010 -16.505 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -33.942 21.645 -18.773 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -34.973 20.229 -18.821 1.00 0.00 H new ATOM 0 HG CYS A 76 -37.333 21.944 -19.209 1.00 0.00 H new ATOM 1235 N ASN A 77 -36.232 23.205 -15.756 1.00 0.00 N ATOM 1236 CA ASN A 77 -36.418 24.581 -15.312 1.00 0.00 C ATOM 1237 C ASN A 77 -35.229 25.027 -14.469 1.00 0.00 C ATOM 1238 O ASN A 77 -35.146 24.741 -13.271 1.00 0.00 O ATOM 1239 CB ASN A 77 -37.722 24.748 -14.525 1.00 0.00 C ATOM 1240 CG ASN A 77 -38.018 26.207 -14.213 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -38.638 26.910 -15.010 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -37.581 26.670 -13.054 1.00 0.00 N ATOM 0 H ASN A 77 -36.837 22.524 -15.298 1.00 0.00 H new ATOM 0 HA ASN A 77 -36.484 25.212 -16.198 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -38.547 24.325 -15.098 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -37.658 24.184 -13.594 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -37.755 27.641 -12.795 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -37.070 26.056 -12.419 1.00 0.00 H new ATOM 1249 N ASN A 78 -34.301 25.699 -15.122 1.00 0.00 N ATOM 1250 CA ASN A 78 -33.090 26.187 -14.482 1.00 0.00 C ATOM 1251 C ASN A 78 -33.358 27.563 -13.875 1.00 0.00 C ATOM 1252 O ASN A 78 -34.102 28.360 -14.451 1.00 0.00 O ATOM 1253 CB ASN A 78 -31.970 26.251 -15.534 1.00 0.00 C ATOM 1254 CG ASN A 78 -30.581 26.505 -14.968 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -30.404 27.203 -13.972 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -29.577 25.927 -15.612 1.00 0.00 N ATOM 0 H ASN A 78 -34.364 25.924 -16.115 1.00 0.00 H new ATOM 0 HA ASN A 78 -32.781 25.517 -13.680 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -31.956 25.312 -16.088 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -32.206 27.039 -16.249 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -28.620 26.055 -15.284 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -29.762 25.354 -16.436 1.00 0.00 H new ATOM 1263 N LEU A 79 -32.785 27.827 -12.702 1.00 0.00 N ATOM 1264 CA LEU A 79 -32.953 29.125 -12.049 1.00 0.00 C ATOM 1265 C LEU A 79 -32.381 30.232 -12.931 1.00 0.00 C ATOM 1266 O LEU A 79 -32.961 31.311 -13.052 1.00 0.00 O ATOM 1267 CB LEU A 79 -32.307 29.153 -10.654 1.00 0.00 C ATOM 1268 CG LEU A 79 -30.776 29.108 -10.602 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -30.295 29.622 -9.260 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -30.259 27.696 -10.833 1.00 0.00 C ATOM 0 H LEU A 79 -32.204 27.165 -12.187 1.00 0.00 H new ATOM 0 HA LEU A 79 -34.021 29.294 -11.912 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -32.638 30.058 -10.144 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -32.692 28.307 -10.084 1.00 0.00 H new ATOM 0 HG LEU A 79 -30.388 29.744 -11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -29.206 29.589 -9.227 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -30.631 30.650 -9.122 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -30.702 28.998 -8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -29.170 27.696 -10.790 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -30.652 27.034 -10.062 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -30.584 27.345 -11.813 1.00 0.00 H new ATOM 1282 N LEU A 80 -31.241 29.951 -13.542 1.00 0.00 N ATOM 1283 CA LEU A 80 -30.664 30.836 -14.537 1.00 0.00 C ATOM 1284 C LEU A 80 -31.257 30.512 -15.899 1.00 0.00 C ATOM 1285 O LEU A 80 -31.745 29.403 -16.122 1.00 0.00 O ATOM 1286 CB LEU A 80 -29.140 30.706 -14.545 1.00 0.00 C ATOM 1287 CG LEU A 80 -28.435 31.484 -13.429 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -27.015 30.985 -13.232 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -28.419 32.966 -13.759 1.00 0.00 C ATOM 0 H LEU A 80 -30.694 29.109 -13.363 1.00 0.00 H new ATOM 0 HA LEU A 80 -30.902 31.871 -14.291 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -28.877 29.652 -14.459 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -28.763 31.052 -15.507 1.00 0.00 H new ATOM 0 HG LEU A 80 -28.987 31.326 -12.502 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -26.537 31.554 -12.434 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -27.034 29.929 -12.963 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -26.453 31.114 -14.157 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -27.916 33.511 -12.960 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -27.887 33.124 -14.697 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -29.442 33.328 -13.857 1.00 0.00 H new ATOM 1301 N GLU A 81 -31.202 31.455 -16.821 1.00 0.00 N ATOM 1302 CA GLU A 81 -31.917 31.306 -18.078 1.00 0.00 C ATOM 1303 C GLU A 81 -31.087 31.827 -19.232 1.00 0.00 C ATOM 1304 O GLU A 81 -30.533 32.924 -19.181 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.249 32.062 -18.022 1.00 0.00 C ATOM 1306 CG GLU A 81 -34.086 31.737 -16.797 1.00 0.00 C ATOM 1307 CD GLU A 81 -35.371 32.530 -16.739 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -35.315 33.771 -16.858 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -36.443 31.914 -16.576 1.00 0.00 O ATOM 0 H GLU A 81 -30.676 32.324 -16.727 1.00 0.00 H new ATOM 0 HA GLU A 81 -32.110 30.245 -18.235 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -33.049 33.133 -18.041 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -33.826 31.830 -18.917 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -34.321 30.673 -16.795 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -33.501 31.936 -15.899 1.00 0.00 H new ATOM 1316 N GLY A 82 -30.995 31.012 -20.271 1.00 0.00 N ATOM 1317 CA GLY A 82 -30.185 31.359 -21.414 1.00 0.00 C ATOM 1318 C GLY A 82 -28.719 31.068 -21.176 1.00 0.00 C ATOM 1319 O GLY A 82 -27.879 31.396 -22.003 1.00 0.00 O ATOM 0 H GLY A 82 -31.470 30.112 -20.341 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -30.529 30.802 -22.285 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -30.313 32.417 -21.642 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.415 30.440 -20.045 1.00 0.00 N ATOM 1324 CA TYR A 83 -27.042 30.083 -19.696 1.00 0.00 C ATOM 1325 C TYR A 83 -26.969 28.632 -19.225 1.00 0.00 C ATOM 1326 O TYR A 83 -27.977 28.064 -18.802 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.515 31.017 -18.597 1.00 0.00 C ATOM 1328 CG TYR A 83 -26.271 32.442 -19.054 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -27.308 33.364 -19.130 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -24.997 32.861 -19.415 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -27.081 34.661 -19.553 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -24.763 34.154 -19.839 1.00 0.00 C ATOM 1333 CZ TYR A 83 -25.807 35.050 -19.908 1.00 0.00 C ATOM 1334 OH TYR A 83 -25.577 36.339 -20.332 1.00 0.00 O ATOM 0 H TYR A 83 -29.107 30.165 -19.348 1.00 0.00 H new ATOM 0 HA TYR A 83 -26.421 30.193 -20.585 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -27.229 31.029 -17.773 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -25.583 30.609 -18.205 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -28.308 33.063 -18.854 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -24.175 32.163 -19.363 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -27.898 35.366 -19.605 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -23.765 34.462 -20.115 1.00 0.00 H new ATOM 0 HH TYR A 83 -24.626 36.449 -20.543 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.788 28.030 -19.337 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.548 26.676 -18.829 1.00 0.00 C ATOM 1346 C HIS A 84 -24.327 26.686 -17.914 1.00 0.00 C ATOM 1347 O HIS A 84 -23.419 27.499 -18.099 1.00 0.00 O ATOM 1348 CB HIS A 84 -25.294 25.662 -19.958 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.444 25.402 -20.881 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -26.591 24.231 -21.595 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -27.434 26.220 -21.306 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -27.630 24.383 -22.425 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -28.169 25.577 -22.288 1.00 0.00 N ATOM 0 H HIS A 84 -24.975 28.460 -19.778 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.446 26.372 -18.291 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.450 26.014 -20.552 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.994 24.715 -19.508 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -26.011 23.397 -21.506 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -27.622 27.218 -20.937 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -27.979 23.628 -23.114 1.00 0.00 H new ATOM 1361 N PRO A 85 -24.281 25.789 -16.923 1.00 0.00 N ATOM 1362 CA PRO A 85 -23.156 25.701 -15.993 1.00 0.00 C ATOM 1363 C PRO A 85 -21.943 24.998 -16.609 1.00 0.00 C ATOM 1364 O PRO A 85 -22.082 24.133 -17.479 1.00 0.00 O ATOM 1365 CB PRO A 85 -23.732 24.891 -14.835 1.00 0.00 C ATOM 1366 CG PRO A 85 -24.772 24.022 -15.456 1.00 0.00 C ATOM 1367 CD PRO A 85 -25.324 24.786 -16.632 1.00 0.00 C ATOM 0 HA PRO A 85 -22.782 26.681 -15.698 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.960 24.296 -14.346 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -24.163 25.541 -14.074 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -24.343 23.073 -15.777 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -25.560 23.789 -14.740 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -25.500 24.132 -17.486 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -26.276 25.258 -16.391 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.755 25.383 -16.162 1.00 0.00 N ATOM 1376 CA LYS A 86 -19.510 24.779 -16.626 1.00 0.00 C ATOM 1377 C LYS A 86 -18.481 24.770 -15.502 1.00 0.00 C ATOM 1378 O LYS A 86 -18.599 25.533 -14.543 1.00 0.00 O ATOM 1379 CB LYS A 86 -18.945 25.550 -17.821 1.00 0.00 C ATOM 1380 CG LYS A 86 -18.679 27.018 -17.520 1.00 0.00 C ATOM 1381 CD LYS A 86 -17.734 27.644 -18.532 1.00 0.00 C ATOM 1382 CE LYS A 86 -17.521 29.121 -18.237 1.00 0.00 C ATOM 1383 NZ LYS A 86 -16.371 29.691 -18.987 1.00 0.00 N ATOM 0 H LYS A 86 -20.626 26.121 -15.469 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.725 23.756 -16.934 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.016 25.078 -18.142 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -19.644 25.478 -18.654 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.622 27.564 -17.518 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.254 27.112 -16.521 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.777 27.124 -18.511 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.140 27.525 -19.536 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -18.426 29.673 -18.491 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.356 29.255 -17.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.268 30.699 -18.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.501 29.184 -18.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.538 29.590 -20.008 1.00 0.00 H new ATOM 1397 N LEU A 87 -17.475 23.914 -15.626 1.00 0.00 N ATOM 1398 CA LEU A 87 -16.388 23.879 -14.657 1.00 0.00 C ATOM 1399 C LEU A 87 -15.309 24.879 -15.051 1.00 0.00 C ATOM 1400 O LEU A 87 -14.976 25.013 -16.230 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.759 22.482 -14.550 1.00 0.00 C ATOM 1402 CG LEU A 87 -16.681 21.337 -14.121 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -17.586 21.763 -12.974 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -17.484 20.814 -15.302 1.00 0.00 C ATOM 0 H LEU A 87 -17.389 23.238 -16.385 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.810 24.139 -13.686 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.331 22.228 -15.520 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.933 22.536 -13.841 1.00 0.00 H new ATOM 0 HG LEU A 87 -16.058 20.519 -13.759 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -18.230 20.931 -12.690 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.976 22.058 -12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -18.201 22.606 -13.289 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -18.131 20.002 -14.971 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -18.094 21.619 -15.712 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -16.804 20.446 -16.070 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.773 25.587 -14.071 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.711 26.547 -14.319 1.00 0.00 C ATOM 1418 C VAL A 88 -12.589 26.377 -13.304 1.00 0.00 C ATOM 1419 O VAL A 88 -12.825 25.958 -12.171 1.00 0.00 O ATOM 1420 CB VAL A 88 -14.233 27.999 -14.267 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -15.386 28.192 -15.237 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -14.662 28.378 -12.859 1.00 0.00 C ATOM 0 H VAL A 88 -15.057 25.515 -13.094 1.00 0.00 H new ATOM 0 HA VAL A 88 -13.329 26.354 -15.321 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.415 28.655 -14.563 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.738 29.222 -15.183 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -15.049 27.976 -16.251 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.200 27.516 -14.974 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -15.025 29.406 -12.853 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -15.458 27.710 -12.529 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.811 28.290 -12.183 1.00 0.00 H new ATOM 1432 N VAL A 89 -11.374 26.696 -13.707 1.00 0.00 N ATOM 1433 CA VAL A 89 -10.236 26.574 -12.815 1.00 0.00 C ATOM 1434 C VAL A 89 -9.824 27.943 -12.270 1.00 0.00 C ATOM 1435 O VAL A 89 -9.518 28.870 -13.023 1.00 0.00 O ATOM 1436 CB VAL A 89 -9.038 25.872 -13.503 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -8.640 26.580 -14.793 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -7.853 25.769 -12.549 1.00 0.00 C ATOM 0 H VAL A 89 -11.150 27.040 -14.641 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.544 25.947 -11.978 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.353 24.863 -13.768 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.797 26.060 -15.248 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.483 26.578 -15.484 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.355 27.608 -14.571 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.023 25.273 -13.052 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.546 26.768 -12.241 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.142 25.192 -11.671 1.00 0.00 H new ATOM 1448 N ASN A 90 -9.856 28.073 -10.956 1.00 0.00 N ATOM 1449 CA ASN A 90 -9.422 29.294 -10.296 1.00 0.00 C ATOM 1450 C ASN A 90 -8.313 28.977 -9.310 1.00 0.00 C ATOM 1451 O ASN A 90 -8.568 28.490 -8.207 1.00 0.00 O ATOM 1452 CB ASN A 90 -10.586 29.989 -9.582 1.00 0.00 C ATOM 1453 CG ASN A 90 -11.448 30.807 -10.525 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -11.156 31.971 -10.795 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -12.527 30.218 -11.012 1.00 0.00 N ATOM 0 H ASN A 90 -10.180 27.344 -10.320 1.00 0.00 H new ATOM 0 HA ASN A 90 -9.046 29.978 -11.057 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -11.205 29.239 -9.090 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.191 30.639 -8.801 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.151 30.731 -11.635 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -12.735 29.251 -10.765 1.00 0.00 H new ATOM 1462 N GLY A 91 -7.081 29.226 -9.724 1.00 0.00 N ATOM 1463 CA GLY A 91 -5.945 28.885 -8.898 1.00 0.00 C ATOM 1464 C GLY A 91 -5.787 27.384 -8.761 1.00 0.00 C ATOM 1465 O GLY A 91 -5.472 26.697 -9.731 1.00 0.00 O ATOM 0 H GLY A 91 -6.848 29.658 -10.618 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.039 29.309 -9.331 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.065 29.331 -7.911 1.00 0.00 H new ATOM 1469 N ARG A 92 -6.019 26.870 -7.561 1.00 0.00 N ATOM 1470 CA ARG A 92 -5.927 25.437 -7.314 1.00 0.00 C ATOM 1471 C ARG A 92 -7.306 24.881 -6.959 1.00 0.00 C ATOM 1472 O ARG A 92 -7.432 23.771 -6.443 1.00 0.00 O ATOM 1473 CB ARG A 92 -4.929 25.126 -6.186 1.00 0.00 C ATOM 1474 CG ARG A 92 -3.467 25.398 -6.534 1.00 0.00 C ATOM 1475 CD ARG A 92 -3.198 26.883 -6.703 1.00 0.00 C ATOM 1476 NE ARG A 92 -1.783 27.184 -6.898 1.00 0.00 N ATOM 1477 CZ ARG A 92 -1.229 28.350 -6.576 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -1.967 29.309 -6.029 1.00 0.00 N ATOM 1479 NH2 ARG A 92 0.058 28.556 -6.797 1.00 0.00 N ATOM 0 H ARG A 92 -6.272 27.424 -6.743 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.565 24.959 -8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.196 25.717 -5.310 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.033 24.078 -5.906 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.825 24.999 -5.748 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.208 24.874 -7.454 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.765 27.255 -7.556 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.560 27.415 -5.823 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.187 26.462 -7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.960 29.152 -5.855 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.541 30.202 -5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.628 27.820 -7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.481 29.450 -6.550 1.00 0.00 H new ATOM 1493 N SER A 93 -8.337 25.662 -7.250 1.00 0.00 N ATOM 1494 CA SER A 93 -9.702 25.269 -6.939 1.00 0.00 C ATOM 1495 C SER A 93 -10.582 25.335 -8.186 1.00 0.00 C ATOM 1496 O SER A 93 -10.465 26.260 -8.992 1.00 0.00 O ATOM 1497 CB SER A 93 -10.262 26.166 -5.827 1.00 0.00 C ATOM 1498 OG SER A 93 -10.110 27.542 -6.146 1.00 0.00 O ATOM 0 H SER A 93 -8.253 26.573 -7.702 1.00 0.00 H new ATOM 0 HA SER A 93 -9.699 24.237 -6.588 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.317 25.941 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.749 25.949 -4.890 1.00 0.00 H new ATOM 0 HG SER A 93 -9.647 27.629 -7.005 1.00 0.00 H new ATOM 1504 N ILE A 94 -11.443 24.344 -8.352 1.00 0.00 N ATOM 1505 CA ILE A 94 -12.357 24.307 -9.481 1.00 0.00 C ATOM 1506 C ILE A 94 -13.725 24.827 -9.054 1.00 0.00 C ATOM 1507 O ILE A 94 -14.248 24.434 -8.011 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.488 22.879 -10.051 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -11.107 22.341 -10.425 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -13.412 22.867 -11.263 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -11.098 20.872 -10.785 1.00 0.00 C ATOM 0 H ILE A 94 -11.528 23.551 -7.716 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.953 24.946 -10.267 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.923 22.235 -9.287 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.721 22.914 -11.268 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.426 22.504 -9.590 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.491 21.851 -11.650 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.400 23.222 -10.971 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -13.006 23.519 -12.036 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.083 20.566 -11.038 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.453 20.287 -9.936 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.752 20.703 -11.640 1.00 0.00 H new ATOM 1523 N ASP A 95 -14.292 25.713 -9.857 1.00 0.00 N ATOM 1524 CA ASP A 95 -15.559 26.344 -9.533 1.00 0.00 C ATOM 1525 C ASP A 95 -16.541 26.124 -10.669 1.00 0.00 C ATOM 1526 O ASP A 95 -16.197 25.516 -11.684 1.00 0.00 O ATOM 1527 CB ASP A 95 -15.376 27.844 -9.285 1.00 0.00 C ATOM 1528 CG ASP A 95 -16.347 28.381 -8.245 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -17.533 28.590 -8.578 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -15.931 28.581 -7.081 1.00 0.00 O ATOM 0 H ASP A 95 -13.890 26.013 -10.745 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.948 25.893 -8.620 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.354 28.033 -8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.515 28.384 -10.221 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.750 26.625 -10.506 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.800 26.422 -11.489 1.00 0.00 C ATOM 1537 C ILE A 96 -19.365 27.757 -11.952 1.00 0.00 C ATOM 1538 O ILE A 96 -20.054 28.446 -11.200 1.00 0.00 O ATOM 1539 CB ILE A 96 -19.939 25.560 -10.913 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -19.377 24.248 -10.366 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -20.994 25.288 -11.980 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -20.343 23.504 -9.478 1.00 0.00 C ATOM 0 H ILE A 96 -18.032 27.179 -9.697 1.00 0.00 H new ATOM 0 HA ILE A 96 -18.358 25.901 -12.339 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.413 26.104 -10.096 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -19.095 23.606 -11.201 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.467 24.458 -9.804 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.791 24.678 -11.556 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.408 26.233 -12.331 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -20.538 24.759 -12.816 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.878 22.583 -9.126 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.606 24.128 -8.624 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -21.244 23.263 -10.042 1.00 0.00 H new ATOM 1554 N GLU A 97 -19.060 28.122 -13.183 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.587 29.344 -13.766 1.00 0.00 C ATOM 1556 C GLU A 97 -20.648 29.015 -14.796 1.00 0.00 C ATOM 1557 O GLU A 97 -20.978 27.849 -15.015 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.474 30.172 -14.413 1.00 0.00 C ATOM 1559 CG GLU A 97 -17.417 30.649 -13.435 1.00 0.00 C ATOM 1560 CD GLU A 97 -16.446 31.621 -14.067 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -15.751 31.241 -15.027 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -16.365 32.777 -13.604 1.00 0.00 O ATOM 0 H GLU A 97 -18.448 27.589 -13.801 1.00 0.00 H new ATOM 0 HA GLU A 97 -20.032 29.935 -12.965 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.995 29.575 -15.189 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.917 31.038 -14.905 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.902 31.126 -12.583 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.868 29.790 -13.049 1.00 0.00 H new ATOM 1569 N TYR A 98 -21.177 30.044 -15.425 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.203 29.871 -16.434 1.00 0.00 C ATOM 1571 C TYR A 98 -21.779 30.507 -17.747 1.00 0.00 C ATOM 1572 O TYR A 98 -21.294 31.637 -17.775 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.527 30.472 -15.961 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.453 29.465 -15.316 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -24.147 28.884 -14.093 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -25.637 29.099 -15.938 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -24.995 27.960 -13.513 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -26.491 28.178 -15.365 1.00 0.00 C ATOM 1579 CZ TYR A 98 -26.167 27.611 -14.154 1.00 0.00 C ATOM 1580 OH TYR A 98 -27.016 26.689 -13.585 1.00 0.00 O ATOM 0 H TYR A 98 -20.912 31.014 -15.254 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.342 28.802 -16.596 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -23.320 31.271 -15.249 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -24.034 30.927 -16.812 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -23.233 29.158 -13.587 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -25.896 29.543 -16.888 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -24.742 27.513 -12.563 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -27.408 27.904 -15.865 1.00 0.00 H new ATOM 0 HH TYR A 98 -27.928 27.048 -13.572 1.00 0.00 H new ATOM 1590 N TYR A 99 -21.947 29.767 -18.829 1.00 0.00 N ATOM 1591 CA TYR A 99 -21.676 30.291 -20.157 1.00 0.00 C ATOM 1592 C TYR A 99 -22.989 30.462 -20.894 1.00 0.00 C ATOM 1593 O TYR A 99 -23.972 29.780 -20.584 1.00 0.00 O ATOM 1594 CB TYR A 99 -20.726 29.377 -20.945 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.270 27.992 -21.224 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -22.024 27.729 -22.365 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -21.012 26.944 -20.353 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -22.510 26.462 -22.624 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -21.491 25.676 -20.602 1.00 0.00 C ATOM 1600 CZ TYR A 99 -22.237 25.438 -21.737 1.00 0.00 C ATOM 1601 OH TYR A 99 -22.712 24.172 -21.982 1.00 0.00 O ATOM 0 H TYR A 99 -22.270 28.800 -18.814 1.00 0.00 H new ATOM 0 HA TYR A 99 -21.179 31.256 -20.059 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -20.486 29.856 -21.894 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -19.792 29.281 -20.391 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -22.232 28.529 -23.059 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -20.426 27.125 -19.464 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -23.097 26.274 -23.511 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -21.283 24.872 -19.911 1.00 0.00 H new ATOM 0 HH TYR A 99 -22.429 23.571 -21.261 1.00 0.00 H new ATOM 1611 N GLU A 100 -23.020 31.367 -21.856 1.00 0.00 N ATOM 1612 CA GLU A 100 -24.260 31.671 -22.538 1.00 0.00 C ATOM 1613 C GLU A 100 -24.658 30.534 -23.473 1.00 0.00 C ATOM 1614 O GLU A 100 -23.823 29.958 -24.171 1.00 0.00 O ATOM 1615 CB GLU A 100 -24.164 32.983 -23.314 1.00 0.00 C ATOM 1616 CG GLU A 100 -25.516 33.651 -23.498 1.00 0.00 C ATOM 1617 CD GLU A 100 -25.463 34.870 -24.388 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -25.002 35.936 -23.930 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -25.890 34.767 -25.553 1.00 0.00 O ATOM 0 H GLU A 100 -22.210 31.897 -22.178 1.00 0.00 H new ATOM 0 HA GLU A 100 -25.032 31.784 -21.776 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -23.495 33.664 -22.788 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -23.721 32.792 -24.291 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -26.215 32.930 -23.922 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -25.907 33.939 -22.522 1.00 0.00 H new ATOM 1626 N CYS A 101 -25.940 30.210 -23.446 1.00 0.00 N ATOM 1627 CA CYS A 101 -26.512 29.180 -24.294 1.00 0.00 C ATOM 1628 C CYS A 101 -26.291 29.529 -25.762 1.00 0.00 C ATOM 1629 O CYS A 101 -26.631 30.625 -26.195 1.00 0.00 O ATOM 1630 CB CYS A 101 -28.014 29.061 -23.998 1.00 0.00 C ATOM 1631 SG CYS A 101 -28.901 27.766 -24.922 1.00 0.00 S ATOM 0 H CYS A 101 -26.618 30.659 -22.830 1.00 0.00 H new ATOM 0 HA CYS A 101 -26.026 28.226 -24.088 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -28.142 28.873 -22.932 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -28.485 30.021 -24.211 1.00 0.00 H new ATOM 0 HG CYS A 101 -28.896 26.662 -24.235 1.00 0.00 H new ATOM 1636 N PRO A 102 -25.698 28.613 -26.538 1.00 0.00 N ATOM 1637 CA PRO A 102 -25.498 28.802 -27.983 1.00 0.00 C ATOM 1638 C PRO A 102 -26.813 29.096 -28.710 1.00 0.00 C ATOM 1639 O PRO A 102 -26.835 29.712 -29.774 1.00 0.00 O ATOM 1640 CB PRO A 102 -24.902 27.464 -28.451 1.00 0.00 C ATOM 1641 CG PRO A 102 -25.095 26.510 -27.318 1.00 0.00 C ATOM 1642 CD PRO A 102 -25.138 27.338 -26.071 1.00 0.00 C ATOM 0 HA PRO A 102 -24.855 29.656 -28.198 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -25.402 27.107 -29.351 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -23.845 27.571 -28.695 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -26.018 25.944 -27.440 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -24.281 25.787 -27.276 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -25.763 26.880 -25.304 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -24.146 27.468 -25.639 1.00 0.00 H new ATOM 1650 N VAL A 103 -27.912 28.663 -28.106 1.00 0.00 N ATOM 1651 CA VAL A 103 -29.244 28.867 -28.668 1.00 0.00 C ATOM 1652 C VAL A 103 -29.767 30.273 -28.356 1.00 0.00 C ATOM 1653 O VAL A 103 -30.720 30.748 -28.969 1.00 0.00 O ATOM 1654 CB VAL A 103 -30.233 27.820 -28.107 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -31.590 27.899 -28.797 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -29.650 26.421 -28.233 1.00 0.00 C ATOM 0 H VAL A 103 -27.908 28.163 -27.217 1.00 0.00 H new ATOM 0 HA VAL A 103 -29.166 28.753 -29.749 1.00 0.00 H new ATOM 0 HB VAL A 103 -30.389 28.044 -27.052 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -32.257 27.147 -28.375 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -32.018 28.890 -28.646 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -31.467 27.716 -29.864 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -30.358 25.695 -27.834 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -29.457 26.200 -29.283 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -28.717 26.364 -27.673 1.00 0.00 H new ATOM 1666 N LYS A 104 -29.109 30.947 -27.420 1.00 0.00 N ATOM 1667 CA LYS A 104 -29.572 32.238 -26.914 1.00 0.00 C ATOM 1668 C LYS A 104 -29.458 33.332 -27.978 1.00 0.00 C ATOM 1669 O LYS A 104 -30.073 34.391 -27.859 1.00 0.00 O ATOM 1670 CB LYS A 104 -28.770 32.616 -25.660 1.00 0.00 C ATOM 1671 CG LYS A 104 -29.230 33.889 -24.965 1.00 0.00 C ATOM 1672 CD LYS A 104 -30.653 33.772 -24.452 1.00 0.00 C ATOM 1673 CE LYS A 104 -31.060 35.007 -23.664 1.00 0.00 C ATOM 1674 NZ LYS A 104 -30.924 36.257 -24.461 1.00 0.00 N ATOM 0 H LYS A 104 -28.244 30.618 -26.991 1.00 0.00 H new ATOM 0 HA LYS A 104 -30.627 32.148 -26.654 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -28.825 31.791 -24.949 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -27.722 32.729 -25.937 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -28.561 34.110 -24.133 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -29.162 34.726 -25.660 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -31.334 33.633 -25.292 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -30.742 32.889 -23.820 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -32.093 34.900 -23.334 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -30.445 35.082 -22.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -31.383 37.042 -23.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -29.916 36.474 -24.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -31.378 36.129 -25.388 1.00 0.00 H new