USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 SER OG : rot -56:sc= 1.05 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.839 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-0.48) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -2.62! K(o=-2.6!,f=-1.9) USER MOD Single : A 34 SER OG : rot -102:sc= 0.0872 USER MOD Single : A 38 THR OG1 : rot 180:sc= -7.58! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -126:sc=-0.00649 (180deg=-0.0851) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.62 K(o=-1.6,f=-5.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0462 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.24) USER MOD Single : A 57 TYR OH : rot -34:sc= -0.0758 USER MOD Single : A 59 GLN : amide:sc= -0.466 K(o=-0.47,f=-1.3) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 188 N PRO A 12 0.453 5.950 0.975 1.00 0.00 N ATOM 189 CA PRO A 12 -0.031 4.620 0.518 1.00 0.00 C ATOM 190 C PRO A 12 -0.424 3.755 1.722 1.00 0.00 C ATOM 191 O PRO A 12 -0.637 4.261 2.809 1.00 0.00 O ATOM 192 CB PRO A 12 1.173 4.036 -0.222 1.00 0.00 C ATOM 193 CG PRO A 12 2.357 4.734 0.358 1.00 0.00 C ATOM 194 CD PRO A 12 1.899 6.114 0.739 1.00 0.00 C ATOM 0 HA PRO A 12 -0.919 4.674 -0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.240 2.958 -0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.099 4.210 -1.296 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.735 4.197 1.228 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.171 4.782 -0.365 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.412 6.474 1.631 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.096 6.835 -0.055 1.00 0.00 H new ATOM 202 N SER A 13 -0.523 2.456 1.542 1.00 0.00 N ATOM 203 CA SER A 13 -0.904 1.566 2.686 1.00 0.00 C ATOM 204 C SER A 13 -0.762 0.089 2.312 1.00 0.00 C ATOM 205 O SER A 13 -1.674 -0.692 2.511 1.00 0.00 O ATOM 206 CB SER A 13 -2.369 1.901 2.983 1.00 0.00 C ATOM 207 OG SER A 13 -2.847 1.044 4.011 1.00 0.00 O ATOM 0 H SER A 13 -0.357 1.977 0.657 1.00 0.00 H new ATOM 0 HA SER A 13 -0.258 1.728 3.549 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.461 2.943 3.290 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.972 1.780 2.083 1.00 0.00 H new ATOM 0 HG SER A 13 -2.712 0.110 3.747 1.00 0.00 H new ATOM 213 N ALA A 14 0.364 -0.305 1.748 1.00 0.00 N ATOM 214 CA ALA A 14 0.574 -1.737 1.330 1.00 0.00 C ATOM 215 C ALA A 14 -0.286 -2.043 0.109 1.00 0.00 C ATOM 216 O ALA A 14 0.224 -2.197 -0.986 1.00 0.00 O ATOM 217 CB ALA A 14 0.189 -2.636 2.518 1.00 0.00 C ATOM 0 H ALA A 14 1.154 0.312 1.558 1.00 0.00 H new ATOM 0 HA ALA A 14 1.614 -1.918 1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.331 -3.681 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.819 -2.396 3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.856 -2.468 2.778 1.00 0.00 H new ATOM 223 N PHE A 15 -1.583 -2.131 0.273 1.00 0.00 N ATOM 224 CA PHE A 15 -2.465 -2.427 -0.901 1.00 0.00 C ATOM 225 C PHE A 15 -2.291 -1.352 -1.981 1.00 0.00 C ATOM 226 O PHE A 15 -2.527 -1.594 -3.150 1.00 0.00 O ATOM 227 CB PHE A 15 -3.898 -2.416 -0.355 1.00 0.00 C ATOM 228 CG PHE A 15 -4.868 -2.741 -1.471 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.705 -3.910 -2.224 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.925 -1.866 -1.755 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.599 -4.206 -3.261 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.820 -2.163 -2.792 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.656 -3.332 -3.545 1.00 0.00 C ATOM 0 H PHE A 15 -2.068 -2.012 1.162 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.220 -3.384 -1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.997 -3.144 0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.129 -1.439 0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.890 -4.584 -2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.050 -0.963 -1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.473 -5.108 -3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.636 -1.490 -3.010 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.345 -3.560 -4.345 1.00 0.00 H new ATOM 243 N PHE A 16 -1.881 -0.167 -1.596 1.00 0.00 N ATOM 244 CA PHE A 16 -1.696 0.920 -2.602 1.00 0.00 C ATOM 245 C PHE A 16 -0.441 0.659 -3.431 1.00 0.00 C ATOM 246 O PHE A 16 -0.404 0.958 -4.608 1.00 0.00 O ATOM 247 CB PHE A 16 -1.559 2.211 -1.793 1.00 0.00 C ATOM 248 CG PHE A 16 -1.942 3.388 -2.657 1.00 0.00 C ATOM 249 CD1 PHE A 16 -1.008 3.940 -3.542 1.00 0.00 C ATOM 250 CD2 PHE A 16 -3.231 3.928 -2.574 1.00 0.00 C ATOM 251 CE1 PHE A 16 -1.363 5.031 -4.344 1.00 0.00 C ATOM 252 CE2 PHE A 16 -3.587 5.019 -3.376 1.00 0.00 C ATOM 253 CZ PHE A 16 -2.652 5.571 -4.261 1.00 0.00 C ATOM 0 H PHE A 16 -1.668 0.091 -0.633 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.530 0.979 -3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.198 2.170 -0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.534 2.324 -1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.013 3.524 -3.606 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.951 3.503 -1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.642 5.456 -5.027 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.582 5.435 -3.312 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.925 6.413 -4.879 1.00 0.00 H new ATOM 263 N LEU A 17 0.571 0.068 -2.841 1.00 0.00 N ATOM 264 CA LEU A 17 1.803 -0.249 -3.626 1.00 0.00 C ATOM 265 C LEU A 17 1.408 -1.264 -4.705 1.00 0.00 C ATOM 266 O LEU A 17 1.283 -0.923 -5.864 1.00 0.00 O ATOM 267 CB LEU A 17 2.792 -0.855 -2.618 1.00 0.00 C ATOM 268 CG LEU A 17 3.547 0.251 -1.865 1.00 0.00 C ATOM 269 CD1 LEU A 17 4.347 1.104 -2.851 1.00 0.00 C ATOM 270 CD2 LEU A 17 2.554 1.143 -1.112 1.00 0.00 C ATOM 0 H LEU A 17 0.596 -0.206 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 17 2.252 0.616 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.255 -1.484 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.502 -1.497 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 17 4.229 -0.214 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.879 1.885 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.065 0.475 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.668 1.561 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.097 1.925 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.864 1.599 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.994 0.541 -0.397 1.00 0.00 H new ATOM 282 N PHE A 18 1.212 -2.507 -4.305 1.00 0.00 N ATOM 283 CA PHE A 18 0.805 -3.605 -5.256 1.00 0.00 C ATOM 284 C PHE A 18 -0.140 -3.072 -6.357 1.00 0.00 C ATOM 285 O PHE A 18 0.130 -3.225 -7.534 1.00 0.00 O ATOM 286 CB PHE A 18 0.093 -4.630 -4.361 1.00 0.00 C ATOM 287 CG PHE A 18 -0.475 -5.763 -5.189 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.350 -6.814 -5.607 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.832 -5.763 -5.528 1.00 0.00 C ATOM 290 CE1 PHE A 18 -0.183 -7.864 -6.365 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.366 -6.810 -6.285 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.543 -7.862 -6.704 1.00 0.00 C ATOM 0 H PHE A 18 1.320 -2.812 -3.338 1.00 0.00 H new ATOM 0 HA PHE A 18 1.656 -4.033 -5.785 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.793 -5.026 -3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.708 -4.141 -3.807 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.398 -6.815 -5.345 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.468 -4.953 -5.204 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.453 -8.675 -6.688 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.414 -6.807 -6.547 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.956 -8.671 -7.288 1.00 0.00 H new ATOM 302 N CYS A 19 -1.239 -2.452 -5.989 1.00 0.00 N ATOM 303 CA CYS A 19 -2.175 -1.922 -7.028 1.00 0.00 C ATOM 304 C CYS A 19 -1.483 -0.836 -7.861 1.00 0.00 C ATOM 305 O CYS A 19 -1.590 -0.810 -9.072 1.00 0.00 O ATOM 306 CB CYS A 19 -3.356 -1.333 -6.248 1.00 0.00 C ATOM 307 SG CYS A 19 -4.614 -0.728 -7.403 1.00 0.00 S ATOM 0 H CYS A 19 -1.524 -2.292 -5.023 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.497 -2.698 -7.722 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.785 -2.091 -5.593 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.013 -0.518 -5.611 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.613 -0.232 -6.736 1.00 0.00 H new ATOM 313 N SER A 20 -0.785 0.065 -7.216 1.00 0.00 N ATOM 314 CA SER A 20 -0.092 1.164 -7.963 1.00 0.00 C ATOM 315 C SER A 20 0.868 0.595 -9.014 1.00 0.00 C ATOM 316 O SER A 20 1.083 1.197 -10.050 1.00 0.00 O ATOM 317 CB SER A 20 0.685 1.948 -6.906 1.00 0.00 C ATOM 318 OG SER A 20 1.499 2.921 -7.547 1.00 0.00 O ATOM 0 H SER A 20 -0.664 0.089 -6.203 1.00 0.00 H new ATOM 0 HA SER A 20 -0.805 1.791 -8.498 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.005 2.432 -6.216 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.303 1.271 -6.316 1.00 0.00 H new ATOM 0 HG SER A 20 1.998 3.427 -6.872 1.00 0.00 H new ATOM 324 N GLU A 21 1.456 -0.549 -8.756 1.00 0.00 N ATOM 325 CA GLU A 21 2.411 -1.135 -9.744 1.00 0.00 C ATOM 326 C GLU A 21 1.693 -2.077 -10.719 1.00 0.00 C ATOM 327 O GLU A 21 2.153 -2.287 -11.826 1.00 0.00 O ATOM 328 CB GLU A 21 3.455 -1.892 -8.911 1.00 0.00 C ATOM 329 CG GLU A 21 2.782 -2.998 -8.095 1.00 0.00 C ATOM 330 CD GLU A 21 3.827 -4.031 -7.665 1.00 0.00 C ATOM 331 OE1 GLU A 21 4.787 -4.218 -8.396 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.647 -4.621 -6.614 1.00 0.00 O ATOM 0 H GLU A 21 1.316 -1.098 -7.908 1.00 0.00 H new ATOM 0 HA GLU A 21 2.873 -0.362 -10.358 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.211 -2.323 -9.567 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.969 -1.200 -8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.296 -2.571 -7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.004 -3.479 -8.688 1.00 0.00 H new ATOM 339 N HIS A 22 0.577 -2.652 -10.329 1.00 0.00 N ATOM 340 CA HIS A 22 -0.151 -3.580 -11.250 1.00 0.00 C ATOM 341 C HIS A 22 -1.359 -2.882 -11.888 1.00 0.00 C ATOM 342 O HIS A 22 -2.263 -3.531 -12.378 1.00 0.00 O ATOM 343 CB HIS A 22 -0.628 -4.728 -10.358 1.00 0.00 C ATOM 344 CG HIS A 22 0.542 -5.572 -9.939 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.276 -6.324 -10.844 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.110 -5.804 -8.711 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.233 -6.967 -10.152 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.178 -6.686 -8.848 1.00 0.00 N ATOM 0 H HIS A 22 0.142 -2.518 -9.416 1.00 0.00 H new ATOM 0 HA HIS A 22 0.488 -3.919 -12.066 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.134 -4.330 -9.478 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.354 -5.339 -10.894 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.779 -5.368 -7.780 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.959 -7.631 -10.598 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.787 -7.041 -8.111 1.00 0.00 H new ATOM 356 N ARG A 23 -1.385 -1.571 -11.886 1.00 0.00 N ATOM 357 CA ARG A 23 -2.541 -0.844 -12.493 1.00 0.00 C ATOM 358 C ARG A 23 -2.346 -0.628 -14.009 1.00 0.00 C ATOM 359 O ARG A 23 -3.278 -0.832 -14.763 1.00 0.00 O ATOM 360 CB ARG A 23 -2.624 0.491 -11.746 1.00 0.00 C ATOM 361 CG ARG A 23 -3.879 1.244 -12.193 1.00 0.00 C ATOM 362 CD ARG A 23 -3.863 2.656 -11.604 1.00 0.00 C ATOM 363 NE ARG A 23 -4.172 2.475 -10.159 1.00 0.00 N ATOM 364 CZ ARG A 23 -4.834 3.396 -9.513 1.00 0.00 C ATOM 365 NH1 ARG A 23 -4.526 4.654 -9.672 1.00 0.00 N ATOM 366 NH2 ARG A 23 -5.802 3.058 -8.706 1.00 0.00 N ATOM 0 H ARG A 23 -0.657 -0.975 -11.491 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.464 -1.417 -12.397 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.654 0.318 -10.670 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.736 1.090 -11.948 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.919 1.293 -13.281 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.772 0.712 -11.865 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.892 3.131 -11.743 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.602 3.294 -12.089 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.866 1.631 -9.674 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.768 4.918 -10.301 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.043 5.374 -9.167 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.041 2.074 -8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.320 3.777 -8.201 1.00 0.00 H new ATOM 380 N PRO A 24 -1.158 -0.227 -14.435 1.00 0.00 N ATOM 381 CA PRO A 24 -0.931 -0.012 -15.885 1.00 0.00 C ATOM 382 C PRO A 24 -0.742 -1.351 -16.616 1.00 0.00 C ATOM 383 O PRO A 24 -0.720 -1.397 -17.831 1.00 0.00 O ATOM 384 CB PRO A 24 0.350 0.814 -15.936 1.00 0.00 C ATOM 385 CG PRO A 24 1.077 0.498 -14.668 1.00 0.00 C ATOM 386 CD PRO A 24 0.057 0.058 -13.648 1.00 0.00 C ATOM 0 HA PRO A 24 -1.772 0.481 -16.372 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.950 0.555 -16.808 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.128 1.879 -16.007 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.813 -0.288 -14.836 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.621 1.373 -14.311 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.394 -0.825 -13.106 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.124 0.837 -12.907 1.00 0.00 H new ATOM 394 N LYS A 25 -0.616 -2.439 -15.891 1.00 0.00 N ATOM 395 CA LYS A 25 -0.439 -3.767 -16.551 1.00 0.00 C ATOM 396 C LYS A 25 -1.804 -4.334 -16.947 1.00 0.00 C ATOM 397 O LYS A 25 -1.948 -4.978 -17.969 1.00 0.00 O ATOM 398 CB LYS A 25 0.227 -4.652 -15.497 1.00 0.00 C ATOM 399 CG LYS A 25 0.630 -5.986 -16.127 1.00 0.00 C ATOM 400 CD LYS A 25 1.353 -6.843 -15.087 1.00 0.00 C ATOM 401 CE LYS A 25 2.352 -7.765 -15.789 1.00 0.00 C ATOM 402 NZ LYS A 25 3.612 -6.975 -15.873 1.00 0.00 N ATOM 0 H LYS A 25 -0.629 -2.461 -14.871 1.00 0.00 H new ATOM 0 HA LYS A 25 0.160 -3.704 -17.460 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.105 -4.151 -15.089 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.457 -4.823 -14.666 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.253 -6.509 -16.494 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.278 -5.814 -16.986 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.872 -6.205 -14.372 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.632 -7.434 -14.522 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.501 -8.687 -15.227 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.998 -8.050 -16.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.346 -7.542 -16.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.442 -6.107 -16.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.929 -6.724 -14.915 1.00 0.00 H new ATOM 416 N ILE A 26 -2.809 -4.089 -16.143 1.00 0.00 N ATOM 417 CA ILE A 26 -4.176 -4.602 -16.464 1.00 0.00 C ATOM 418 C ILE A 26 -4.796 -3.796 -17.616 1.00 0.00 C ATOM 419 O ILE A 26 -5.776 -4.211 -18.204 1.00 0.00 O ATOM 420 CB ILE A 26 -4.991 -4.414 -15.175 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.340 -5.196 -14.023 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.425 -4.915 -15.387 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.275 -6.692 -14.359 1.00 0.00 C ATOM 0 H ILE A 26 -2.741 -3.555 -15.277 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.156 -5.644 -16.784 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.012 -3.354 -14.923 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.336 -4.815 -13.838 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.911 -5.047 -13.106 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.997 -4.779 -14.469 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.892 -4.350 -16.193 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.406 -5.973 -15.649 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.811 -7.231 -13.533 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.284 -7.073 -14.520 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.684 -6.836 -15.263 1.00 0.00 H new ATOM 435 N LYS A 27 -4.238 -2.655 -17.944 1.00 0.00 N ATOM 436 CA LYS A 27 -4.803 -1.832 -19.058 1.00 0.00 C ATOM 437 C LYS A 27 -4.347 -2.368 -20.423 1.00 0.00 C ATOM 438 O LYS A 27 -4.922 -2.039 -21.443 1.00 0.00 O ATOM 439 CB LYS A 27 -4.258 -0.423 -18.822 1.00 0.00 C ATOM 440 CG LYS A 27 -5.104 0.275 -17.755 1.00 0.00 C ATOM 441 CD LYS A 27 -4.664 1.734 -17.626 1.00 0.00 C ATOM 442 CE LYS A 27 -5.661 2.489 -16.744 1.00 0.00 C ATOM 443 NZ LYS A 27 -4.916 3.686 -16.260 1.00 0.00 N ATOM 0 H LYS A 27 -3.416 -2.259 -17.488 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.893 -1.856 -19.069 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.217 -0.472 -18.502 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.280 0.148 -19.750 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.159 0.225 -18.023 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.994 -0.235 -16.798 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.665 1.787 -17.193 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.609 2.197 -18.611 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.548 2.777 -17.308 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.999 1.871 -15.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.534 4.255 -15.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.081 3.380 -15.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.613 4.258 -17.074 1.00 0.00 H new ATOM 457 N SER A 28 -3.322 -3.187 -20.452 1.00 0.00 N ATOM 458 CA SER A 28 -2.836 -3.738 -21.756 1.00 0.00 C ATOM 459 C SER A 28 -3.769 -4.851 -22.244 1.00 0.00 C ATOM 460 O SER A 28 -4.137 -4.898 -23.403 1.00 0.00 O ATOM 461 CB SER A 28 -1.444 -4.297 -21.461 1.00 0.00 C ATOM 462 OG SER A 28 -0.842 -4.720 -22.677 1.00 0.00 O ATOM 0 H SER A 28 -2.803 -3.497 -19.631 1.00 0.00 H new ATOM 0 HA SER A 28 -2.812 -2.979 -22.538 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.828 -3.536 -20.982 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.515 -5.134 -20.766 1.00 0.00 H new ATOM 0 HG SER A 28 0.052 -5.078 -22.493 1.00 0.00 H new ATOM 468 N GLU A 29 -4.148 -5.747 -21.368 1.00 0.00 N ATOM 469 CA GLU A 29 -5.054 -6.865 -21.775 1.00 0.00 C ATOM 470 C GLU A 29 -6.529 -6.505 -21.532 1.00 0.00 C ATOM 471 O GLU A 29 -7.407 -7.327 -21.717 1.00 0.00 O ATOM 472 CB GLU A 29 -4.641 -8.044 -20.894 1.00 0.00 C ATOM 473 CG GLU A 29 -3.281 -8.574 -21.355 1.00 0.00 C ATOM 474 CD GLU A 29 -3.079 -9.995 -20.827 1.00 0.00 C ATOM 475 OE1 GLU A 29 -2.860 -10.137 -19.636 1.00 0.00 O ATOM 476 OE2 GLU A 29 -3.148 -10.916 -21.624 1.00 0.00 O ATOM 0 H GLU A 29 -3.869 -5.753 -20.387 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.966 -7.087 -22.838 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.587 -7.731 -19.851 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.390 -8.834 -20.951 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.227 -8.569 -22.444 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.484 -7.924 -20.993 1.00 0.00 H new ATOM 483 N HIS A 30 -6.814 -5.287 -21.130 1.00 0.00 N ATOM 484 CA HIS A 30 -8.235 -4.883 -20.892 1.00 0.00 C ATOM 485 C HIS A 30 -8.406 -3.385 -21.186 1.00 0.00 C ATOM 486 O HIS A 30 -8.382 -2.576 -20.281 1.00 0.00 O ATOM 487 CB HIS A 30 -8.522 -5.169 -19.413 1.00 0.00 C ATOM 488 CG HIS A 30 -8.286 -6.622 -19.107 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.304 -7.562 -19.140 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.155 -7.308 -18.748 1.00 0.00 C ATOM 491 CE1 HIS A 30 -8.769 -8.751 -18.808 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.460 -8.652 -18.558 1.00 0.00 N ATOM 0 H HIS A 30 -6.123 -4.557 -20.957 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.921 -5.430 -21.539 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.882 -4.549 -18.785 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.553 -4.904 -19.178 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.174 -6.871 -18.630 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.329 -9.673 -18.751 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.822 -9.400 -18.286 1.00 0.00 H new ATOM 500 N PRO A 31 -8.575 -3.057 -22.447 1.00 0.00 N ATOM 501 CA PRO A 31 -8.752 -1.634 -22.838 1.00 0.00 C ATOM 502 C PRO A 31 -10.079 -1.097 -22.297 1.00 0.00 C ATOM 503 O PRO A 31 -11.144 -1.504 -22.724 1.00 0.00 O ATOM 504 CB PRO A 31 -8.757 -1.681 -24.366 1.00 0.00 C ATOM 505 CG PRO A 31 -9.181 -3.073 -24.700 1.00 0.00 C ATOM 506 CD PRO A 31 -8.621 -3.951 -23.615 1.00 0.00 C ATOM 0 HA PRO A 31 -7.977 -0.977 -22.443 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.446 -0.946 -24.783 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.770 -1.459 -24.772 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.267 -3.150 -24.742 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.802 -3.372 -25.677 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.255 -4.819 -23.433 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.631 -4.327 -23.873 1.00 0.00 H new ATOM 514 N GLY A 32 -10.020 -0.190 -21.355 1.00 0.00 N ATOM 515 CA GLY A 32 -11.272 0.376 -20.772 1.00 0.00 C ATOM 516 C GLY A 32 -11.454 -0.119 -19.331 1.00 0.00 C ATOM 517 O GLY A 32 -12.210 0.450 -18.567 1.00 0.00 O ATOM 0 H GLY A 32 -9.155 0.183 -20.964 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.230 1.465 -20.788 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.130 0.081 -21.377 1.00 0.00 H new ATOM 521 N LEU A 33 -10.776 -1.183 -18.955 1.00 0.00 N ATOM 522 CA LEU A 33 -10.912 -1.734 -17.563 1.00 0.00 C ATOM 523 C LEU A 33 -10.789 -0.633 -16.503 1.00 0.00 C ATOM 524 O LEU A 33 -9.726 -0.090 -16.271 1.00 0.00 O ATOM 525 CB LEU A 33 -9.764 -2.742 -17.422 1.00 0.00 C ATOM 526 CG LEU A 33 -10.194 -3.934 -16.550 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.564 -3.443 -15.150 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.401 -4.638 -17.177 1.00 0.00 C ATOM 0 H LEU A 33 -10.131 -1.696 -19.556 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.891 -2.189 -17.411 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.461 -3.096 -18.407 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.897 -2.254 -16.978 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.364 -4.638 -16.483 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.868 -4.291 -14.536 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.701 -2.956 -14.695 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.387 -2.732 -15.220 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.697 -5.480 -16.551 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.231 -3.936 -17.256 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.136 -5.000 -18.170 1.00 0.00 H new ATOM 540 N SER A 34 -11.881 -0.318 -15.862 1.00 0.00 N ATOM 541 CA SER A 34 -11.866 0.737 -14.806 1.00 0.00 C ATOM 542 C SER A 34 -11.199 0.194 -13.538 1.00 0.00 C ATOM 543 O SER A 34 -10.570 -0.847 -13.559 1.00 0.00 O ATOM 544 CB SER A 34 -13.340 1.062 -14.545 1.00 0.00 C ATOM 545 OG SER A 34 -14.107 -0.136 -14.591 1.00 0.00 O ATOM 0 H SER A 34 -12.791 -0.749 -16.025 1.00 0.00 H new ATOM 0 HA SER A 34 -11.306 1.622 -15.109 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.451 1.540 -13.572 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.705 1.769 -15.290 1.00 0.00 H new ATOM 0 HG SER A 34 -14.575 -0.192 -15.450 1.00 0.00 H new ATOM 551 N ILE A 35 -11.333 0.890 -12.436 1.00 0.00 N ATOM 552 CA ILE A 35 -10.707 0.415 -11.164 1.00 0.00 C ATOM 553 C ILE A 35 -11.657 -0.530 -10.406 1.00 0.00 C ATOM 554 O ILE A 35 -11.436 -0.836 -9.249 1.00 0.00 O ATOM 555 CB ILE A 35 -10.447 1.688 -10.346 1.00 0.00 C ATOM 556 CG1 ILE A 35 -9.543 2.650 -11.140 1.00 0.00 C ATOM 557 CG2 ILE A 35 -9.765 1.323 -9.022 1.00 0.00 C ATOM 558 CD1 ILE A 35 -8.201 1.982 -11.461 1.00 0.00 C ATOM 0 H ILE A 35 -11.849 1.767 -12.363 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.792 -0.148 -11.348 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.400 2.177 -10.142 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.039 2.946 -12.064 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.375 3.560 -10.564 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.582 2.229 -8.445 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.410 0.654 -8.453 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.817 0.826 -9.226 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.574 2.675 -12.022 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.699 1.709 -10.533 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.374 1.086 -12.057 1.00 0.00 H new ATOM 570 N GLY A 36 -12.707 -0.998 -11.043 1.00 0.00 N ATOM 571 CA GLY A 36 -13.656 -1.921 -10.352 1.00 0.00 C ATOM 572 C GLY A 36 -13.194 -3.365 -10.550 1.00 0.00 C ATOM 573 O GLY A 36 -12.861 -4.053 -9.603 1.00 0.00 O ATOM 0 H GLY A 36 -12.944 -0.779 -12.010 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.702 -1.685 -9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.662 -1.791 -10.751 1.00 0.00 H new ATOM 577 N ASP A 37 -13.167 -3.827 -11.776 1.00 0.00 N ATOM 578 CA ASP A 37 -12.720 -5.229 -12.043 1.00 0.00 C ATOM 579 C ASP A 37 -11.248 -5.391 -11.657 1.00 0.00 C ATOM 580 O ASP A 37 -10.871 -6.348 -11.007 1.00 0.00 O ATOM 581 CB ASP A 37 -12.906 -5.435 -13.547 1.00 0.00 C ATOM 582 CG ASP A 37 -14.395 -5.584 -13.863 1.00 0.00 C ATOM 583 OD1 ASP A 37 -15.058 -4.569 -13.992 1.00 0.00 O ATOM 584 OD2 ASP A 37 -14.847 -6.713 -13.969 1.00 0.00 O ATOM 0 H ASP A 37 -13.435 -3.294 -12.603 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.287 -5.959 -11.464 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.490 -4.589 -14.094 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.364 -6.323 -13.873 1.00 0.00 H new ATOM 589 N THR A 38 -10.415 -4.457 -12.046 1.00 0.00 N ATOM 590 CA THR A 38 -8.960 -4.545 -11.700 1.00 0.00 C ATOM 591 C THR A 38 -8.797 -4.571 -10.170 1.00 0.00 C ATOM 592 O THR A 38 -7.916 -5.223 -9.647 1.00 0.00 O ATOM 593 CB THR A 38 -8.324 -3.288 -12.335 1.00 0.00 C ATOM 594 OG1 THR A 38 -8.229 -3.480 -13.739 1.00 0.00 O ATOM 595 CG2 THR A 38 -6.916 -3.035 -11.775 1.00 0.00 C ATOM 0 H THR A 38 -10.680 -3.635 -12.589 1.00 0.00 H new ATOM 0 HA THR A 38 -8.480 -5.450 -12.073 1.00 0.00 H new ATOM 0 HB THR A 38 -8.951 -2.428 -12.101 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.828 -2.687 -14.151 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.494 -2.144 -12.240 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.974 -2.888 -10.697 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.279 -3.893 -11.990 1.00 0.00 H new ATOM 603 N ALA A 39 -9.650 -3.876 -9.459 1.00 0.00 N ATOM 604 CA ALA A 39 -9.557 -3.866 -7.966 1.00 0.00 C ATOM 605 C ALA A 39 -9.971 -5.230 -7.408 1.00 0.00 C ATOM 606 O ALA A 39 -9.514 -5.646 -6.360 1.00 0.00 O ATOM 607 CB ALA A 39 -10.532 -2.779 -7.508 1.00 0.00 C ATOM 0 H ALA A 39 -10.407 -3.315 -9.848 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.543 -3.670 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.519 -2.713 -6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.234 -1.821 -7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.539 -3.028 -7.844 1.00 0.00 H new ATOM 613 N LYS A 40 -10.829 -5.930 -8.108 1.00 0.00 N ATOM 614 CA LYS A 40 -11.273 -7.275 -7.632 1.00 0.00 C ATOM 615 C LYS A 40 -10.204 -8.320 -7.961 1.00 0.00 C ATOM 616 O LYS A 40 -10.048 -9.303 -7.262 1.00 0.00 O ATOM 617 CB LYS A 40 -12.564 -7.565 -8.399 1.00 0.00 C ATOM 618 CG LYS A 40 -13.715 -6.768 -7.783 1.00 0.00 C ATOM 619 CD LYS A 40 -15.039 -7.219 -8.402 1.00 0.00 C ATOM 620 CE LYS A 40 -16.203 -6.657 -7.584 1.00 0.00 C ATOM 621 NZ LYS A 40 -17.413 -7.348 -8.111 1.00 0.00 N ATOM 0 H LYS A 40 -11.241 -5.627 -8.990 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.431 -7.304 -6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.444 -7.297 -9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.787 -8.631 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.737 -6.917 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.566 -5.702 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.106 -6.874 -9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.089 -8.308 -8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.069 -6.853 -6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.283 -5.576 -7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.254 -7.015 -7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.519 -7.138 -9.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.312 -8.375 -7.979 1.00 0.00 H new ATOM 635 N LYS A 41 -9.467 -8.109 -9.023 1.00 0.00 N ATOM 636 CA LYS A 41 -8.400 -9.081 -9.409 1.00 0.00 C ATOM 637 C LYS A 41 -7.093 -8.762 -8.674 1.00 0.00 C ATOM 638 O LYS A 41 -6.254 -9.623 -8.486 1.00 0.00 O ATOM 639 CB LYS A 41 -8.227 -8.897 -10.917 1.00 0.00 C ATOM 640 CG LYS A 41 -9.245 -9.768 -11.657 1.00 0.00 C ATOM 641 CD LYS A 41 -9.211 -9.435 -13.150 1.00 0.00 C ATOM 642 CE LYS A 41 -8.033 -10.157 -13.807 1.00 0.00 C ATOM 643 NZ LYS A 41 -7.875 -9.502 -15.136 1.00 0.00 N ATOM 0 H LYS A 41 -9.559 -7.303 -9.641 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.663 -10.106 -9.149 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.366 -7.850 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.214 -9.170 -11.214 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.017 -10.823 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.245 -9.597 -11.258 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.146 -9.737 -13.622 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.116 -8.358 -13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.127 -10.060 -13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.233 -11.223 -13.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.085 -9.943 -15.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.751 -9.616 -15.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.679 -8.489 -15.003 1.00 0.00 H new ATOM 657 N LEU A 42 -6.916 -7.532 -8.258 1.00 0.00 N ATOM 658 CA LEU A 42 -5.667 -7.150 -7.535 1.00 0.00 C ATOM 659 C LEU A 42 -5.762 -7.558 -6.065 1.00 0.00 C ATOM 660 O LEU A 42 -4.989 -8.363 -5.587 1.00 0.00 O ATOM 661 CB LEU A 42 -5.587 -5.629 -7.654 1.00 0.00 C ATOM 662 CG LEU A 42 -4.604 -5.246 -8.758 1.00 0.00 C ATOM 663 CD1 LEU A 42 -5.130 -5.721 -10.114 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.453 -3.729 -8.777 1.00 0.00 C ATOM 0 H LEU A 42 -7.586 -6.775 -8.389 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.787 -7.641 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.573 -5.220 -7.875 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.268 -5.197 -6.705 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.640 -5.717 -8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.423 -5.444 -10.896 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.248 -6.804 -10.099 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.094 -5.254 -10.314 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.753 -3.443 -9.562 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.422 -3.269 -8.970 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.076 -3.389 -7.813 1.00 0.00 H new ATOM 676 N GLY A 43 -6.707 -7.001 -5.342 1.00 0.00 N ATOM 677 CA GLY A 43 -6.864 -7.346 -3.891 1.00 0.00 C ATOM 678 C GLY A 43 -6.929 -8.866 -3.720 1.00 0.00 C ATOM 679 O GLY A 43 -6.527 -9.403 -2.705 1.00 0.00 O ATOM 0 H GLY A 43 -7.379 -6.320 -5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.028 -6.943 -3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.771 -6.888 -3.495 1.00 0.00 H new ATOM 683 N GLU A 44 -7.405 -9.563 -4.724 1.00 0.00 N ATOM 684 CA GLU A 44 -7.464 -11.050 -4.639 1.00 0.00 C ATOM 685 C GLU A 44 -6.046 -11.598 -4.779 1.00 0.00 C ATOM 686 O GLU A 44 -5.666 -12.546 -4.118 1.00 0.00 O ATOM 687 CB GLU A 44 -8.337 -11.493 -5.815 1.00 0.00 C ATOM 688 CG GLU A 44 -8.624 -12.991 -5.700 1.00 0.00 C ATOM 689 CD GLU A 44 -9.141 -13.518 -7.041 1.00 0.00 C ATOM 690 OE1 GLU A 44 -8.334 -13.684 -7.940 1.00 0.00 O ATOM 691 OE2 GLU A 44 -10.336 -13.744 -7.145 1.00 0.00 O ATOM 0 H GLU A 44 -7.754 -9.164 -5.596 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.874 -11.409 -3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.272 -10.932 -5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.832 -11.280 -6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.718 -13.524 -5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.361 -13.172 -4.918 1.00 0.00 H new ATOM 698 N MET A 45 -5.255 -10.986 -5.626 1.00 0.00 N ATOM 699 CA MET A 45 -3.848 -11.441 -5.809 1.00 0.00 C ATOM 700 C MET A 45 -2.991 -10.909 -4.660 1.00 0.00 C ATOM 701 O MET A 45 -2.174 -11.617 -4.110 1.00 0.00 O ATOM 702 CB MET A 45 -3.398 -10.838 -7.142 1.00 0.00 C ATOM 703 CG MET A 45 -3.947 -11.679 -8.295 1.00 0.00 C ATOM 704 SD MET A 45 -3.686 -10.804 -9.858 1.00 0.00 S ATOM 705 CE MET A 45 -1.939 -11.228 -10.066 1.00 0.00 C ATOM 0 H MET A 45 -5.528 -10.188 -6.199 1.00 0.00 H new ATOM 0 HA MET A 45 -3.755 -12.527 -5.813 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.753 -9.811 -7.226 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.310 -10.804 -7.189 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.449 -12.648 -8.321 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.010 -11.870 -8.146 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.357 -10.317 -10.205 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.584 -11.753 -9.179 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.822 -11.870 -10.939 1.00 0.00 H new ATOM 715 N TRP A 46 -3.197 -9.668 -4.272 1.00 0.00 N ATOM 716 CA TRP A 46 -2.413 -9.074 -3.133 1.00 0.00 C ATOM 717 C TRP A 46 -2.504 -9.992 -1.907 1.00 0.00 C ATOM 718 O TRP A 46 -1.505 -10.329 -1.299 1.00 0.00 O ATOM 719 CB TRP A 46 -3.080 -7.715 -2.861 1.00 0.00 C ATOM 720 CG TRP A 46 -2.460 -7.063 -1.665 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.127 -6.649 -0.564 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.062 -6.748 -1.437 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.221 -6.095 0.324 1.00 0.00 N ATOM 724 CE2 TRP A 46 -0.934 -6.134 -0.171 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.097 -6.935 -2.205 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.305 -5.719 0.316 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.345 -6.520 -1.721 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.448 -5.912 -0.464 1.00 0.00 C ATOM 0 H TRP A 46 -3.877 -9.038 -4.697 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.353 -8.960 -3.362 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.973 -7.069 -3.732 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.148 -7.853 -2.696 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.191 -6.736 -0.404 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.474 -5.706 1.232 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.027 -7.402 -3.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.380 -5.253 1.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.231 -6.670 -2.320 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.412 -5.592 -0.097 1.00 0.00 H new ATOM 739 N SER A 47 -3.693 -10.413 -1.560 1.00 0.00 N ATOM 740 CA SER A 47 -3.859 -11.328 -0.390 1.00 0.00 C ATOM 741 C SER A 47 -3.184 -12.682 -0.669 1.00 0.00 C ATOM 742 O SER A 47 -3.044 -13.502 0.218 1.00 0.00 O ATOM 743 CB SER A 47 -5.372 -11.509 -0.230 1.00 0.00 C ATOM 744 OG SER A 47 -5.823 -10.733 0.873 1.00 0.00 O ATOM 0 H SER A 47 -4.559 -10.162 -2.038 1.00 0.00 H new ATOM 0 HA SER A 47 -3.400 -10.923 0.512 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.885 -11.201 -1.141 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.609 -12.561 -0.071 1.00 0.00 H new ATOM 0 HG SER A 47 -6.791 -10.845 0.978 1.00 0.00 H new ATOM 750 N GLU A 48 -2.754 -12.918 -1.889 1.00 0.00 N ATOM 751 CA GLU A 48 -2.081 -14.199 -2.224 1.00 0.00 C ATOM 752 C GLU A 48 -0.576 -13.981 -2.398 1.00 0.00 C ATOM 753 O GLU A 48 0.181 -14.933 -2.445 1.00 0.00 O ATOM 754 CB GLU A 48 -2.718 -14.627 -3.545 1.00 0.00 C ATOM 755 CG GLU A 48 -4.054 -15.320 -3.268 1.00 0.00 C ATOM 756 CD GLU A 48 -4.495 -16.092 -4.513 1.00 0.00 C ATOM 757 OE1 GLU A 48 -3.900 -17.120 -4.791 1.00 0.00 O ATOM 758 OE2 GLU A 48 -5.423 -15.643 -5.166 1.00 0.00 O ATOM 0 H GLU A 48 -2.846 -12.266 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.198 -14.951 -1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.873 -13.758 -4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.051 -15.302 -4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.955 -16.000 -2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.810 -14.582 -2.998 1.00 0.00 H new ATOM 765 N GLN A 49 -0.124 -12.747 -2.487 1.00 0.00 N ATOM 766 CA GLN A 49 1.340 -12.506 -2.650 1.00 0.00 C ATOM 767 C GLN A 49 2.087 -13.043 -1.433 1.00 0.00 C ATOM 768 O GLN A 49 1.616 -12.956 -0.314 1.00 0.00 O ATOM 769 CB GLN A 49 1.511 -10.980 -2.734 1.00 0.00 C ATOM 770 CG GLN A 49 0.822 -10.429 -3.987 1.00 0.00 C ATOM 771 CD GLN A 49 1.422 -11.065 -5.244 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.587 -11.408 -5.271 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.666 -11.236 -6.294 1.00 0.00 N ATOM 0 H GLN A 49 -0.704 -11.908 -2.454 1.00 0.00 H new ATOM 0 HA GLN A 49 1.735 -13.004 -3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.089 -10.512 -1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.571 -10.728 -2.755 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.248 -10.634 -3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.938 -9.346 -4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.312 -10.948 -6.271 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.053 -11.658 -7.138 1.00 0.00 H new ATOM 782 N SER A 50 3.256 -13.572 -1.644 1.00 0.00 N ATOM 783 CA SER A 50 4.065 -14.094 -0.508 1.00 0.00 C ATOM 784 C SER A 50 4.986 -12.976 -0.004 1.00 0.00 C ATOM 785 O SER A 50 4.636 -11.812 -0.070 1.00 0.00 O ATOM 786 CB SER A 50 4.865 -15.257 -1.097 1.00 0.00 C ATOM 787 OG SER A 50 5.823 -14.750 -2.016 1.00 0.00 O ATOM 0 H SER A 50 3.691 -13.667 -2.562 1.00 0.00 H new ATOM 0 HA SER A 50 3.465 -14.424 0.340 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.364 -15.810 -0.301 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.196 -15.956 -1.600 1.00 0.00 H new ATOM 0 HG SER A 50 6.339 -15.493 -2.394 1.00 0.00 H new ATOM 793 N ALA A 51 6.154 -13.304 0.488 1.00 0.00 N ATOM 794 CA ALA A 51 7.081 -12.240 0.980 1.00 0.00 C ATOM 795 C ALA A 51 7.826 -11.581 -0.192 1.00 0.00 C ATOM 796 O ALA A 51 8.538 -10.613 -0.007 1.00 0.00 O ATOM 797 CB ALA A 51 8.061 -12.961 1.904 1.00 0.00 C ATOM 0 H ALA A 51 6.505 -14.258 0.570 1.00 0.00 H new ATOM 0 HA ALA A 51 6.546 -11.442 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.776 -12.244 2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.513 -13.426 2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.594 -13.728 1.342 1.00 0.00 H new ATOM 803 N LYS A 52 7.672 -12.087 -1.395 1.00 0.00 N ATOM 804 CA LYS A 52 8.376 -11.473 -2.563 1.00 0.00 C ATOM 805 C LYS A 52 7.623 -10.225 -3.031 1.00 0.00 C ATOM 806 O LYS A 52 8.214 -9.197 -3.303 1.00 0.00 O ATOM 807 CB LYS A 52 8.364 -12.549 -3.651 1.00 0.00 C ATOM 808 CG LYS A 52 9.627 -12.427 -4.505 1.00 0.00 C ATOM 809 CD LYS A 52 10.824 -12.981 -3.731 1.00 0.00 C ATOM 810 CE LYS A 52 10.835 -14.507 -3.830 1.00 0.00 C ATOM 811 NZ LYS A 52 12.187 -14.914 -3.353 1.00 0.00 N ATOM 0 H LYS A 52 7.091 -12.896 -1.615 1.00 0.00 H new ATOM 0 HA LYS A 52 9.391 -11.161 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.313 -13.539 -3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.478 -12.439 -4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.501 -12.974 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.802 -11.384 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.751 -12.573 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.768 -12.674 -2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.050 -14.948 -3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.662 -14.837 -4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.271 -15.950 -3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.913 -14.485 -3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.321 -14.592 -2.373 1.00 0.00 H new ATOM 825 N ASP A 53 6.319 -10.310 -3.120 1.00 0.00 N ATOM 826 CA ASP A 53 5.512 -9.133 -3.562 1.00 0.00 C ATOM 827 C ASP A 53 4.557 -8.708 -2.444 1.00 0.00 C ATOM 828 O ASP A 53 3.354 -8.647 -2.623 1.00 0.00 O ATOM 829 CB ASP A 53 4.726 -9.622 -4.776 1.00 0.00 C ATOM 830 CG ASP A 53 5.423 -9.170 -6.061 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.426 -9.771 -6.410 1.00 0.00 O ATOM 832 OD2 ASP A 53 4.943 -8.230 -6.673 1.00 0.00 O ATOM 0 H ASP A 53 5.778 -11.147 -2.905 1.00 0.00 H new ATOM 0 HA ASP A 53 6.134 -8.270 -3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.648 -10.709 -4.757 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.710 -9.229 -4.745 1.00 0.00 H new ATOM 837 N LYS A 54 5.095 -8.415 -1.289 1.00 0.00 N ATOM 838 CA LYS A 54 4.237 -7.995 -0.147 1.00 0.00 C ATOM 839 C LYS A 54 5.077 -7.469 1.023 1.00 0.00 C ATOM 840 O LYS A 54 4.644 -6.601 1.758 1.00 0.00 O ATOM 841 CB LYS A 54 3.495 -9.266 0.254 1.00 0.00 C ATOM 842 CG LYS A 54 2.041 -8.929 0.596 1.00 0.00 C ATOM 843 CD LYS A 54 1.399 -10.086 1.361 1.00 0.00 C ATOM 844 CE LYS A 54 2.100 -10.263 2.710 1.00 0.00 C ATOM 845 NZ LYS A 54 1.061 -10.841 3.608 1.00 0.00 N ATOM 0 H LYS A 54 6.095 -8.449 -1.089 1.00 0.00 H new ATOM 0 HA LYS A 54 3.565 -7.181 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.529 -9.990 -0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.983 -9.728 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.002 -8.020 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.481 -8.732 -0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.338 -9.889 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.472 -11.005 0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.961 -10.926 2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.468 -9.311 3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.465 -10.992 4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.257 -10.185 3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.735 -11.750 3.222 1.00 0.00 H new ATOM 859 N GLN A 55 6.267 -7.982 1.204 1.00 0.00 N ATOM 860 CA GLN A 55 7.129 -7.508 2.332 1.00 0.00 C ATOM 861 C GLN A 55 7.742 -6.129 2.023 1.00 0.00 C ATOM 862 O GLN A 55 7.653 -5.234 2.839 1.00 0.00 O ATOM 863 CB GLN A 55 8.229 -8.562 2.473 1.00 0.00 C ATOM 864 CG GLN A 55 7.776 -9.643 3.455 1.00 0.00 C ATOM 865 CD GLN A 55 7.703 -9.055 4.866 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.702 -8.634 5.414 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.553 -9.006 5.481 1.00 0.00 N ATOM 0 H GLN A 55 6.680 -8.709 0.620 1.00 0.00 H new ATOM 0 HA GLN A 55 6.553 -7.390 3.250 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.448 -9.006 1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.150 -8.097 2.826 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.801 -10.031 3.161 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.472 -10.482 3.435 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.714 -9.359 5.022 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.494 -8.614 6.421 1.00 0.00 H new ATOM 876 N PRO A 56 8.358 -5.987 0.864 1.00 0.00 N ATOM 877 CA PRO A 56 8.981 -4.686 0.511 1.00 0.00 C ATOM 878 C PRO A 56 7.919 -3.632 0.163 1.00 0.00 C ATOM 879 O PRO A 56 8.225 -2.459 0.050 1.00 0.00 O ATOM 880 CB PRO A 56 9.840 -5.014 -0.707 1.00 0.00 C ATOM 881 CG PRO A 56 9.210 -6.224 -1.316 1.00 0.00 C ATOM 882 CD PRO A 56 8.538 -6.987 -0.205 1.00 0.00 C ATOM 0 HA PRO A 56 9.555 -4.262 1.335 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.858 -4.183 -1.412 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.873 -5.210 -0.419 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.485 -5.937 -2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.961 -6.842 -1.807 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.583 -7.401 -0.528 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.151 -7.823 0.131 1.00 0.00 H new ATOM 890 N TYR A 57 6.681 -4.032 -0.010 1.00 0.00 N ATOM 891 CA TYR A 57 5.615 -3.042 -0.352 1.00 0.00 C ATOM 892 C TYR A 57 5.018 -2.435 0.920 1.00 0.00 C ATOM 893 O TYR A 57 4.702 -1.260 0.962 1.00 0.00 O ATOM 894 CB TYR A 57 4.560 -3.841 -1.119 1.00 0.00 C ATOM 895 CG TYR A 57 5.047 -4.089 -2.529 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.455 -3.015 -3.331 1.00 0.00 C ATOM 897 CD2 TYR A 57 5.092 -5.394 -3.033 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.909 -3.246 -4.634 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.545 -5.625 -4.338 1.00 0.00 C ATOM 900 CZ TYR A 57 5.954 -4.552 -5.137 1.00 0.00 C ATOM 901 OH TYR A 57 6.402 -4.780 -6.423 1.00 0.00 O ATOM 0 H TYR A 57 6.365 -4.999 0.071 1.00 0.00 H new ATOM 0 HA TYR A 57 6.002 -2.210 -0.941 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.369 -4.789 -0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.617 -3.295 -1.139 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.419 -2.008 -2.943 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.778 -6.223 -2.416 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.224 -2.418 -5.251 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.579 -6.632 -4.728 1.00 0.00 H new ATOM 0 HH TYR A 57 6.140 -4.031 -6.998 1.00 0.00 H new ATOM 911 N GLU A 58 4.866 -3.221 1.957 1.00 0.00 N ATOM 912 CA GLU A 58 4.293 -2.679 3.229 1.00 0.00 C ATOM 913 C GLU A 58 5.324 -1.787 3.937 1.00 0.00 C ATOM 914 O GLU A 58 4.970 -0.929 4.723 1.00 0.00 O ATOM 915 CB GLU A 58 3.946 -3.905 4.085 1.00 0.00 C ATOM 916 CG GLU A 58 5.196 -4.764 4.319 1.00 0.00 C ATOM 917 CD GLU A 58 5.298 -5.139 5.801 1.00 0.00 C ATOM 918 OE1 GLU A 58 4.688 -6.123 6.186 1.00 0.00 O ATOM 919 OE2 GLU A 58 5.983 -4.435 6.524 1.00 0.00 O ATOM 0 H GLU A 58 5.113 -4.211 1.979 1.00 0.00 H new ATOM 0 HA GLU A 58 3.413 -2.062 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.533 -3.584 5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.177 -4.497 3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.148 -5.666 3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.087 -4.217 4.011 1.00 0.00 H new ATOM 926 N GLN A 59 6.591 -1.978 3.656 1.00 0.00 N ATOM 927 CA GLN A 59 7.642 -1.136 4.304 1.00 0.00 C ATOM 928 C GLN A 59 7.661 0.251 3.658 1.00 0.00 C ATOM 929 O GLN A 59 7.344 1.241 4.287 1.00 0.00 O ATOM 930 CB GLN A 59 8.960 -1.868 4.047 1.00 0.00 C ATOM 931 CG GLN A 59 9.108 -3.019 5.044 1.00 0.00 C ATOM 932 CD GLN A 59 10.042 -4.082 4.462 1.00 0.00 C ATOM 933 OE1 GLN A 59 9.701 -5.247 4.415 1.00 0.00 O ATOM 934 NE2 GLN A 59 11.216 -3.727 4.014 1.00 0.00 N ATOM 0 H GLN A 59 6.941 -2.681 3.005 1.00 0.00 H new ATOM 0 HA GLN A 59 7.464 -0.995 5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.982 -2.251 3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.797 -1.177 4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.506 -2.647 5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.133 -3.455 5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.502 -2.749 4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.847 -4.428 3.625 1.00 0.00 H new ATOM 943 N LYS A 60 8.043 0.326 2.402 1.00 0.00 N ATOM 944 CA LYS A 60 8.104 1.646 1.683 1.00 0.00 C ATOM 945 C LYS A 60 6.840 2.486 1.928 1.00 0.00 C ATOM 946 O LYS A 60 6.881 3.702 1.880 1.00 0.00 O ATOM 947 CB LYS A 60 8.214 1.279 0.202 1.00 0.00 C ATOM 948 CG LYS A 60 8.688 2.495 -0.595 1.00 0.00 C ATOM 949 CD LYS A 60 8.497 2.230 -2.090 1.00 0.00 C ATOM 950 CE LYS A 60 9.522 3.040 -2.888 1.00 0.00 C ATOM 951 NZ LYS A 60 8.947 4.412 -2.969 1.00 0.00 N ATOM 0 H LYS A 60 8.318 -0.478 1.838 1.00 0.00 H new ATOM 0 HA LYS A 60 8.941 2.250 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.913 0.452 0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.248 0.941 -0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.126 3.380 -0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.738 2.697 -0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.615 1.167 -2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.486 2.504 -2.392 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.493 3.047 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.674 2.616 -3.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.593 5.028 -3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.027 4.375 -3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.820 4.792 -2.009 1.00 0.00 H new ATOM 965 N ALA A 61 5.729 1.850 2.204 1.00 0.00 N ATOM 966 CA ALA A 61 4.474 2.612 2.471 1.00 0.00 C ATOM 967 C ALA A 61 4.367 2.905 3.967 1.00 0.00 C ATOM 968 O ALA A 61 3.923 3.961 4.375 1.00 0.00 O ATOM 969 CB ALA A 61 3.340 1.688 2.027 1.00 0.00 C ATOM 0 H ALA A 61 5.638 0.835 2.256 1.00 0.00 H new ATOM 0 HA ALA A 61 4.444 3.566 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.382 2.181 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.451 1.459 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.377 0.764 2.604 1.00 0.00 H new ATOM 975 N ALA A 62 4.777 1.968 4.785 1.00 0.00 N ATOM 976 CA ALA A 62 4.711 2.172 6.266 1.00 0.00 C ATOM 977 C ALA A 62 5.538 3.396 6.670 1.00 0.00 C ATOM 978 O ALA A 62 5.075 4.251 7.403 1.00 0.00 O ATOM 979 CB ALA A 62 5.305 0.900 6.875 1.00 0.00 C ATOM 0 H ALA A 62 5.156 1.068 4.491 1.00 0.00 H new ATOM 0 HA ALA A 62 3.692 2.348 6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.290 0.976 7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.715 0.038 6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.333 0.779 6.534 1.00 0.00 H new ATOM 985 N LYS A 63 6.755 3.488 6.193 1.00 0.00 N ATOM 986 CA LYS A 63 7.614 4.661 6.543 1.00 0.00 C ATOM 987 C LYS A 63 7.006 5.940 5.963 1.00 0.00 C ATOM 988 O LYS A 63 6.722 6.882 6.677 1.00 0.00 O ATOM 989 CB LYS A 63 8.973 4.375 5.901 1.00 0.00 C ATOM 990 CG LYS A 63 10.018 5.339 6.465 1.00 0.00 C ATOM 991 CD LYS A 63 10.631 4.742 7.734 1.00 0.00 C ATOM 992 CE LYS A 63 11.604 3.623 7.355 1.00 0.00 C ATOM 993 NZ LYS A 63 12.015 3.015 8.651 1.00 0.00 N ATOM 0 H LYS A 63 7.190 2.802 5.577 1.00 0.00 H new ATOM 0 HA LYS A 63 7.701 4.802 7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.270 3.345 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.906 4.487 4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.796 5.523 5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.557 6.301 6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.152 5.516 8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.845 4.351 8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.127 2.887 6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.464 4.015 6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.684 2.238 8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.472 3.737 9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.176 2.644 9.142 1.00 0.00 H new ATOM 1007 N LEU A 64 6.806 5.977 4.667 1.00 0.00 N ATOM 1008 CA LEU A 64 6.215 7.194 4.017 1.00 0.00 C ATOM 1009 C LEU A 64 4.925 7.609 4.733 1.00 0.00 C ATOM 1010 O LEU A 64 4.589 8.775 4.802 1.00 0.00 O ATOM 1011 CB LEU A 64 5.913 6.774 2.576 1.00 0.00 C ATOM 1012 CG LEU A 64 7.180 6.902 1.731 1.00 0.00 C ATOM 1013 CD1 LEU A 64 6.946 6.266 0.360 1.00 0.00 C ATOM 1014 CD2 LEU A 64 7.526 8.382 1.553 1.00 0.00 C ATOM 0 H LEU A 64 7.027 5.214 4.027 1.00 0.00 H new ATOM 0 HA LEU A 64 6.891 8.048 4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.551 5.746 2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.122 7.400 2.162 1.00 0.00 H new ATOM 0 HG LEU A 64 8.003 6.393 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.850 6.357 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.699 5.212 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.123 6.775 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.430 8.474 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.702 8.891 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.693 8.837 2.529 1.00 0.00 H new ATOM 1026 N LYS A 65 4.216 6.655 5.280 1.00 0.00 N ATOM 1027 CA LYS A 65 2.959 6.980 6.013 1.00 0.00 C ATOM 1028 C LYS A 65 3.314 7.604 7.364 1.00 0.00 C ATOM 1029 O LYS A 65 2.823 8.655 7.726 1.00 0.00 O ATOM 1030 CB LYS A 65 2.248 5.639 6.209 1.00 0.00 C ATOM 1031 CG LYS A 65 0.906 5.869 6.906 1.00 0.00 C ATOM 1032 CD LYS A 65 0.059 4.599 6.816 1.00 0.00 C ATOM 1033 CE LYS A 65 -1.393 4.926 7.174 1.00 0.00 C ATOM 1034 NZ LYS A 65 -1.999 3.618 7.549 1.00 0.00 N ATOM 0 H LYS A 65 4.455 5.664 5.250 1.00 0.00 H new ATOM 0 HA LYS A 65 2.328 7.689 5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.091 5.155 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.869 4.970 6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.068 6.137 7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.381 6.703 6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.112 4.185 5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.450 3.840 7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.446 5.637 7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.916 5.376 6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.996 3.759 7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.940 2.964 6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.485 3.216 8.359 1.00 0.00 H new