USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 395 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 9 SER OG : rot 180:sc= -0.292 USER MOD Set 1.2: A 12 GLN : amide:sc= -2.36 K(o=-2.6,f=-4.6!) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0746 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.16) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0766 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 32 GLN : amide:sc= -0.37 X(o=-0.37,f=0.0091) USER MOD Single : A 33 GLN : amide:sc= -0.0883 X(o=-0.088,f=-0.18) USER MOD Single : A 35 SER OG : rot -94:sc= 0.512 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.045) USER MOD Single : A 44 GLN : amide:sc= -0.275 K(o=-0.27,f=-2.1!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.82 K(o=-1.8,f=-2.8!) USER MOD Single : A 51 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.471 -7.084 3.487 1.00 0.00 N ATOM 176 CA SER A 9 -9.554 -7.834 2.863 1.00 0.00 C ATOM 177 C SER A 9 -9.266 -8.063 1.386 1.00 0.00 C ATOM 178 O SER A 9 -8.592 -7.257 0.745 1.00 0.00 O ATOM 179 CB SER A 9 -10.878 -7.085 3.025 1.00 0.00 C ATOM 180 OG SER A 9 -11.010 -6.068 2.048 1.00 0.00 O ATOM 0 HA SER A 9 -9.630 -8.802 3.358 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.709 -7.786 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.932 -6.646 4.021 1.00 0.00 H new ATOM 0 HG SER A 9 -11.865 -5.605 2.172 1.00 0.00 H new ATOM 186 N SER A 10 -9.782 -9.163 0.846 1.00 0.00 N ATOM 187 CA SER A 10 -9.576 -9.485 -0.561 1.00 0.00 C ATOM 188 C SER A 10 -9.991 -8.315 -1.446 1.00 0.00 C ATOM 189 O SER A 10 -9.342 -8.021 -2.449 1.00 0.00 O ATOM 190 CB SER A 10 -10.365 -10.736 -0.945 1.00 0.00 C ATOM 191 OG SER A 10 -10.540 -11.592 0.171 1.00 0.00 O ATOM 0 H SER A 10 -10.343 -9.843 1.359 1.00 0.00 H new ATOM 0 HA SER A 10 -8.514 -9.679 -0.713 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.338 -10.448 -1.342 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.842 -11.270 -1.738 1.00 0.00 H new ATOM 0 HG SER A 10 -11.049 -12.384 -0.101 1.00 0.00 H new ATOM 197 N GLU A 11 -11.070 -7.642 -1.057 1.00 0.00 N ATOM 198 CA GLU A 11 -11.561 -6.494 -1.810 1.00 0.00 C ATOM 199 C GLU A 11 -10.510 -5.391 -1.828 1.00 0.00 C ATOM 200 O GLU A 11 -10.206 -4.826 -2.880 1.00 0.00 O ATOM 201 CB GLU A 11 -12.865 -5.971 -1.205 1.00 0.00 C ATOM 202 CG GLU A 11 -14.098 -6.730 -1.667 1.00 0.00 C ATOM 203 CD GLU A 11 -14.961 -5.919 -2.614 1.00 0.00 C ATOM 204 OE1 GLU A 11 -14.617 -5.841 -3.812 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.984 -5.365 -2.158 1.00 0.00 O ATOM 0 H GLU A 11 -11.619 -7.871 -0.228 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.759 -6.811 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.800 -6.028 -0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.979 -4.918 -1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.789 -7.651 -2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.690 -7.018 -0.798 1.00 0.00 H new ATOM 212 N GLN A 12 -9.942 -5.101 -0.660 1.00 0.00 N ATOM 213 CA GLN A 12 -8.910 -4.081 -0.554 1.00 0.00 C ATOM 214 C GLN A 12 -7.642 -4.550 -1.259 1.00 0.00 C ATOM 215 O GLN A 12 -6.890 -3.749 -1.810 1.00 0.00 O ATOM 216 CB GLN A 12 -8.610 -3.771 0.914 1.00 0.00 C ATOM 217 CG GLN A 12 -9.830 -3.332 1.705 1.00 0.00 C ATOM 218 CD GLN A 12 -9.672 -3.563 3.196 1.00 0.00 C ATOM 219 OE1 GLN A 12 -8.904 -4.423 3.625 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.402 -2.792 3.995 1.00 0.00 N ATOM 0 H GLN A 12 -10.180 -5.557 0.221 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.270 -3.170 -1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.183 -4.657 1.384 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.854 -2.987 0.964 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.015 -2.273 1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.705 -3.875 1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.026 -2.091 3.596 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.338 -2.901 5.007 1.00 0.00 H new ATOM 229 N LEU A 13 -7.424 -5.861 -1.236 1.00 0.00 N ATOM 230 CA LEU A 13 -6.260 -6.463 -1.870 1.00 0.00 C ATOM 231 C LEU A 13 -6.303 -6.264 -3.381 1.00 0.00 C ATOM 232 O LEU A 13 -5.323 -5.833 -3.990 1.00 0.00 O ATOM 233 CB LEU A 13 -6.203 -7.959 -1.543 1.00 0.00 C ATOM 234 CG LEU A 13 -5.318 -8.341 -0.353 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.850 -8.328 -0.753 1.00 0.00 C ATOM 236 CD2 LEU A 13 -5.562 -7.409 0.828 1.00 0.00 C ATOM 0 H LEU A 13 -8.045 -6.530 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.366 -5.974 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.216 -8.309 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.847 -8.492 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.582 -9.353 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.237 -8.602 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.686 -9.043 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.574 -7.330 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.922 -7.701 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.333 -6.384 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.606 -7.474 1.133 1.00 0.00 H new ATOM 248 N ALA A 14 -7.446 -6.579 -3.981 1.00 0.00 N ATOM 249 CA ALA A 14 -7.620 -6.434 -5.421 1.00 0.00 C ATOM 250 C ALA A 14 -7.508 -4.974 -5.838 1.00 0.00 C ATOM 251 O ALA A 14 -6.795 -4.639 -6.784 1.00 0.00 O ATOM 252 CB ALA A 14 -8.959 -7.012 -5.853 1.00 0.00 C ATOM 0 H ALA A 14 -8.266 -6.937 -3.491 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.825 -6.989 -5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.075 -6.896 -6.931 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.999 -8.070 -5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.765 -6.484 -5.343 1.00 0.00 H new ATOM 258 N ARG A 15 -8.219 -4.106 -5.125 1.00 0.00 N ATOM 259 CA ARG A 15 -8.197 -2.679 -5.423 1.00 0.00 C ATOM 260 C ARG A 15 -6.800 -2.105 -5.211 1.00 0.00 C ATOM 261 O ARG A 15 -6.305 -1.332 -6.032 1.00 0.00 O ATOM 262 CB ARG A 15 -9.214 -1.938 -4.553 1.00 0.00 C ATOM 263 CG ARG A 15 -10.637 -2.026 -5.081 1.00 0.00 C ATOM 264 CD ARG A 15 -11.594 -1.167 -4.268 1.00 0.00 C ATOM 265 NE ARG A 15 -12.365 -0.260 -5.115 1.00 0.00 N ATOM 266 CZ ARG A 15 -11.903 0.902 -5.571 1.00 0.00 C ATOM 267 NH1 ARG A 15 -10.675 1.303 -5.265 1.00 0.00 N ATOM 268 NH2 ARG A 15 -12.671 1.666 -6.336 1.00 0.00 N ATOM 0 H ARG A 15 -8.816 -4.365 -4.339 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.468 -2.544 -6.470 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.183 -2.346 -3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.925 -0.889 -4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.659 -1.708 -6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.970 -3.064 -5.058 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.275 -1.810 -3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.030 -0.589 -3.536 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.313 -0.533 -5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.080 0.720 -4.677 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.327 2.195 -5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.615 1.363 -6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.317 2.557 -6.686 1.00 0.00 H new ATOM 282 N LEU A 16 -6.164 -2.495 -4.110 1.00 0.00 N ATOM 283 CA LEU A 16 -4.819 -2.023 -3.801 1.00 0.00 C ATOM 284 C LEU A 16 -3.830 -2.505 -4.856 1.00 0.00 C ATOM 285 O LEU A 16 -3.024 -1.729 -5.368 1.00 0.00 O ATOM 286 CB LEU A 16 -4.383 -2.511 -2.418 1.00 0.00 C ATOM 287 CG LEU A 16 -4.841 -1.640 -1.247 1.00 0.00 C ATOM 288 CD1 LEU A 16 -5.035 -2.485 0.002 1.00 0.00 C ATOM 289 CD2 LEU A 16 -3.834 -0.528 -0.989 1.00 0.00 C ATOM 0 H LEU A 16 -6.557 -3.134 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.832 -0.933 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.764 -3.521 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.295 -2.575 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.798 -1.187 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.361 -1.849 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.790 -3.247 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.093 -2.966 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.173 0.084 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.864 -0.964 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.742 0.094 -1.880 1.00 0.00 H new ATOM 301 N LYS A 17 -3.904 -3.793 -5.181 1.00 0.00 N ATOM 302 CA LYS A 17 -3.020 -4.381 -6.181 1.00 0.00 C ATOM 303 C LYS A 17 -3.218 -3.709 -7.535 1.00 0.00 C ATOM 304 O LYS A 17 -2.262 -3.503 -8.283 1.00 0.00 O ATOM 305 CB LYS A 17 -3.280 -5.884 -6.302 1.00 0.00 C ATOM 306 CG LYS A 17 -2.607 -6.708 -5.217 1.00 0.00 C ATOM 307 CD LYS A 17 -3.089 -8.150 -5.234 1.00 0.00 C ATOM 308 CE LYS A 17 -2.104 -9.076 -4.538 1.00 0.00 C ATOM 309 NZ LYS A 17 -1.962 -10.374 -5.253 1.00 0.00 N ATOM 0 H LYS A 17 -4.567 -4.448 -4.766 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.990 -4.224 -5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.355 -6.062 -6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.931 -6.227 -7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.526 -6.683 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.813 -6.266 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.060 -8.216 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.230 -8.475 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.131 -8.589 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.437 -9.259 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.282 -10.977 -4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.885 -10.851 -5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.619 -10.202 -6.220 1.00 0.00 H new ATOM 323 N ARG A 18 -4.465 -3.367 -7.841 1.00 0.00 N ATOM 324 CA ARG A 18 -4.792 -2.715 -9.103 1.00 0.00 C ATOM 325 C ARG A 18 -4.110 -1.354 -9.197 1.00 0.00 C ATOM 326 O ARG A 18 -3.500 -1.021 -10.212 1.00 0.00 O ATOM 327 CB ARG A 18 -6.309 -2.553 -9.240 1.00 0.00 C ATOM 328 CG ARG A 18 -6.876 -3.187 -10.499 1.00 0.00 C ATOM 329 CD ARG A 18 -8.353 -2.867 -10.666 1.00 0.00 C ATOM 330 NE ARG A 18 -9.186 -3.628 -9.740 1.00 0.00 N ATOM 331 CZ ARG A 18 -10.505 -3.759 -9.865 1.00 0.00 C ATOM 332 NH1 ARG A 18 -11.143 -3.182 -10.876 1.00 0.00 N ATOM 333 NH2 ARG A 18 -11.189 -4.470 -8.978 1.00 0.00 N ATOM 0 H ARG A 18 -5.266 -3.531 -7.231 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.429 -3.342 -9.917 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.794 -2.996 -8.370 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.555 -1.491 -9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.324 -2.829 -11.368 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.739 -4.268 -10.457 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.513 -1.801 -10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.657 -3.084 -11.690 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.731 -4.086 -8.951 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.623 -2.635 -11.562 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.154 -3.286 -10.967 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.704 -4.917 -8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.200 -4.570 -9.074 1.00 0.00 H new ATOM 347 N GLU A 19 -4.214 -0.574 -8.126 1.00 0.00 N ATOM 348 CA GLU A 19 -3.606 0.751 -8.083 1.00 0.00 C ATOM 349 C GLU A 19 -2.085 0.648 -8.122 1.00 0.00 C ATOM 350 O GLU A 19 -1.412 1.468 -8.745 1.00 0.00 O ATOM 351 CB GLU A 19 -4.045 1.495 -6.820 1.00 0.00 C ATOM 352 CG GLU A 19 -5.346 2.263 -6.986 1.00 0.00 C ATOM 353 CD GLU A 19 -5.408 3.497 -6.108 1.00 0.00 C ATOM 354 OE1 GLU A 19 -4.361 4.157 -5.934 1.00 0.00 O ATOM 355 OE2 GLU A 19 -6.504 3.804 -5.593 1.00 0.00 O ATOM 0 H GLU A 19 -4.714 -0.836 -7.276 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.940 1.308 -8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.158 0.778 -6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.258 2.189 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.460 2.557 -8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.184 1.608 -6.746 1.00 0.00 H new ATOM 362 N PHE A 20 -1.551 -0.365 -7.447 1.00 0.00 N ATOM 363 CA PHE A 20 -0.109 -0.579 -7.399 1.00 0.00 C ATOM 364 C PHE A 20 0.441 -0.922 -8.781 1.00 0.00 C ATOM 365 O PHE A 20 1.526 -0.479 -9.155 1.00 0.00 O ATOM 366 CB PHE A 20 0.224 -1.701 -6.415 1.00 0.00 C ATOM 367 CG PHE A 20 1.689 -1.819 -6.109 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.290 -0.967 -5.196 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.466 -2.780 -6.735 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.638 -1.073 -4.913 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.815 -2.891 -6.456 1.00 0.00 C ATOM 372 CZ PHE A 20 4.401 -2.036 -5.544 1.00 0.00 C ATOM 0 H PHE A 20 -2.096 -1.051 -6.925 1.00 0.00 H new ATOM 0 HA PHE A 20 0.359 0.346 -7.063 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.320 -1.531 -5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.130 -2.648 -6.823 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.698 -0.212 -4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.012 -3.451 -7.450 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.095 -0.404 -4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.410 -3.645 -6.950 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.455 -2.120 -5.324 1.00 0.00 H new ATOM 382 N ASN A 21 -0.314 -1.716 -9.533 1.00 0.00 N ATOM 383 CA ASN A 21 0.099 -2.122 -10.873 1.00 0.00 C ATOM 384 C ASN A 21 0.136 -0.929 -11.825 1.00 0.00 C ATOM 385 O ASN A 21 0.913 -0.911 -12.780 1.00 0.00 O ATOM 386 CB ASN A 21 -0.847 -3.195 -11.415 1.00 0.00 C ATOM 387 CG ASN A 21 -0.103 -4.358 -12.043 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.443 -4.241 -13.140 1.00 0.00 O ATOM 389 ND2 ASN A 21 -0.078 -5.489 -11.348 1.00 0.00 N ATOM 0 H ASN A 21 -1.215 -2.092 -9.238 1.00 0.00 H new ATOM 0 HA ASN A 21 1.106 -2.533 -10.804 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.475 -3.564 -10.605 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.511 -2.750 -12.156 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.407 -6.305 -11.720 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.544 -5.541 -10.442 1.00 0.00 H new ATOM 396 N GLU A 22 -0.707 0.063 -11.562 1.00 0.00 N ATOM 397 CA GLU A 22 -0.768 1.256 -12.400 1.00 0.00 C ATOM 398 C GLU A 22 0.314 2.255 -12.005 1.00 0.00 C ATOM 399 O GLU A 22 0.872 2.949 -12.854 1.00 0.00 O ATOM 400 CB GLU A 22 -2.147 1.910 -12.292 1.00 0.00 C ATOM 401 CG GLU A 22 -3.299 0.934 -12.462 1.00 0.00 C ATOM 402 CD GLU A 22 -3.803 0.870 -13.892 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.124 1.937 -14.455 1.00 0.00 O ATOM 404 OE2 GLU A 22 -3.876 -0.246 -14.447 1.00 0.00 O ATOM 0 H GLU A 22 -1.357 0.065 -10.776 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.597 0.953 -13.433 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.234 2.396 -11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.229 2.691 -13.048 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.978 -0.059 -12.149 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.118 1.226 -11.805 1.00 0.00 H new ATOM 411 N ASN A 23 0.605 2.321 -10.711 1.00 0.00 N ATOM 412 CA ASN A 23 1.620 3.234 -10.200 1.00 0.00 C ATOM 413 C ASN A 23 2.121 2.773 -8.836 1.00 0.00 C ATOM 414 O ASN A 23 1.358 2.716 -7.874 1.00 0.00 O ATOM 415 CB ASN A 23 1.054 4.651 -10.097 1.00 0.00 C ATOM 416 CG ASN A 23 2.107 5.668 -9.702 1.00 0.00 C ATOM 417 OD1 ASN A 23 3.172 5.748 -10.314 1.00 0.00 O ATOM 418 ND2 ASN A 23 1.813 6.455 -8.672 1.00 0.00 N ATOM 0 H ASN A 23 0.152 1.752 -9.996 1.00 0.00 H new ATOM 0 HA ASN A 23 2.459 3.236 -10.896 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.619 4.936 -11.055 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.247 4.664 -9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.482 7.159 -8.361 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.918 6.355 -8.193 1.00 0.00 H new ATOM 425 N ARG A 24 3.405 2.437 -8.761 1.00 0.00 N ATOM 426 CA ARG A 24 4.005 1.973 -7.514 1.00 0.00 C ATOM 427 C ARG A 24 4.192 3.115 -6.515 1.00 0.00 C ATOM 428 O ARG A 24 4.586 2.887 -5.371 1.00 0.00 O ATOM 429 CB ARG A 24 5.350 1.301 -7.795 1.00 0.00 C ATOM 430 CG ARG A 24 5.218 -0.113 -8.335 1.00 0.00 C ATOM 431 CD ARG A 24 6.575 -0.733 -8.621 1.00 0.00 C ATOM 432 NE ARG A 24 6.514 -1.693 -9.722 1.00 0.00 N ATOM 433 CZ ARG A 24 7.253 -1.616 -10.827 1.00 0.00 C ATOM 434 NH1 ARG A 24 8.132 -0.633 -10.989 1.00 0.00 N ATOM 435 NH2 ARG A 24 7.115 -2.530 -11.777 1.00 0.00 N ATOM 0 H ARG A 24 4.051 2.477 -9.549 1.00 0.00 H new ATOM 0 HA ARG A 24 3.322 1.249 -7.069 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.907 1.905 -8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.935 1.278 -6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.681 -0.729 -7.614 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.624 -0.100 -9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.290 0.053 -8.864 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.943 -1.232 -7.724 1.00 0.00 H new ATOM 0 HE ARG A 24 5.862 -2.473 -9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.247 0.074 -10.262 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.692 -0.585 -11.840 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.444 -3.289 -11.660 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.680 -2.474 -12.625 1.00 0.00 H new ATOM 449 N TYR A 25 3.911 4.342 -6.946 1.00 0.00 N ATOM 450 CA TYR A 25 4.054 5.506 -6.079 1.00 0.00 C ATOM 451 C TYR A 25 2.689 5.979 -5.589 1.00 0.00 C ATOM 452 O TYR A 25 1.658 5.426 -5.972 1.00 0.00 O ATOM 453 CB TYR A 25 4.764 6.638 -6.825 1.00 0.00 C ATOM 454 CG TYR A 25 6.251 6.415 -7.008 1.00 0.00 C ATOM 455 CD1 TYR A 25 6.744 5.191 -7.445 1.00 0.00 C ATOM 456 CD2 TYR A 25 7.161 7.431 -6.746 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.101 4.987 -7.614 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.519 7.236 -6.913 1.00 0.00 C ATOM 459 CZ TYR A 25 8.983 6.013 -7.346 1.00 0.00 C ATOM 460 OH TYR A 25 10.334 5.813 -7.514 1.00 0.00 O ATOM 0 H TYR A 25 3.584 4.555 -7.888 1.00 0.00 H new ATOM 0 HA TYR A 25 4.654 5.220 -5.215 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.302 6.760 -7.805 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.611 7.570 -6.281 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.056 4.386 -7.656 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.801 8.391 -6.406 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.468 4.030 -7.954 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.212 8.038 -6.705 1.00 0.00 H new ATOM 0 HH TYR A 25 10.817 6.634 -7.284 1.00 0.00 H new ATOM 470 N LEU A 26 2.687 7.002 -4.740 1.00 0.00 N ATOM 471 CA LEU A 26 1.440 7.539 -4.205 1.00 0.00 C ATOM 472 C LEU A 26 1.492 9.059 -4.100 1.00 0.00 C ATOM 473 O LEU A 26 2.475 9.693 -4.484 1.00 0.00 O ATOM 474 CB LEU A 26 1.147 6.946 -2.820 1.00 0.00 C ATOM 475 CG LEU A 26 0.277 5.682 -2.785 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.230 5.446 -1.372 1.00 0.00 C ATOM 477 CD2 LEU A 26 -0.902 5.781 -3.742 1.00 0.00 C ATOM 0 H LEU A 26 3.529 7.473 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 26 0.643 7.262 -4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.098 6.719 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.659 7.712 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 26 0.896 4.843 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.847 4.548 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.617 5.319 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.824 6.302 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.493 4.867 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.524 6.632 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.535 5.915 -4.759 1.00 0.00 H new ATOM 489 N THR A 27 0.418 9.626 -3.565 1.00 0.00 N ATOM 490 CA THR A 27 0.306 11.067 -3.381 1.00 0.00 C ATOM 491 C THR A 27 -0.664 11.367 -2.247 1.00 0.00 C ATOM 492 O THR A 27 -1.413 10.491 -1.819 1.00 0.00 O ATOM 493 CB THR A 27 -0.180 11.734 -4.668 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.546 11.435 -4.900 1.00 0.00 O ATOM 495 CG2 THR A 27 0.601 11.313 -5.894 1.00 0.00 C ATOM 0 H THR A 27 -0.397 9.102 -3.247 1.00 0.00 H new ATOM 0 HA THR A 27 1.289 11.465 -3.131 1.00 0.00 H new ATOM 0 HB THR A 27 -0.030 12.803 -4.516 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.841 11.871 -5.727 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.204 11.824 -6.771 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.651 11.577 -5.765 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.512 10.235 -6.030 1.00 0.00 H new ATOM 503 N GLU A 28 -0.660 12.603 -1.764 1.00 0.00 N ATOM 504 CA GLU A 28 -1.561 12.988 -0.684 1.00 0.00 C ATOM 505 C GLU A 28 -3.007 12.703 -1.076 1.00 0.00 C ATOM 506 O GLU A 28 -3.747 12.052 -0.338 1.00 0.00 O ATOM 507 CB GLU A 28 -1.385 14.471 -0.345 1.00 0.00 C ATOM 508 CG GLU A 28 -0.903 14.716 1.075 1.00 0.00 C ATOM 509 CD GLU A 28 0.306 15.631 1.133 1.00 0.00 C ATOM 510 OE1 GLU A 28 1.224 15.454 0.306 1.00 0.00 O ATOM 511 OE2 GLU A 28 0.333 16.525 2.005 1.00 0.00 O ATOM 0 H GLU A 28 -0.050 13.349 -2.098 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.316 12.399 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.674 14.913 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.336 14.984 -0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.713 15.153 1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.654 13.762 1.540 1.00 0.00 H new ATOM 518 N ARG A 29 -3.397 13.189 -2.250 1.00 0.00 N ATOM 519 CA ARG A 29 -4.747 12.983 -2.758 1.00 0.00 C ATOM 520 C ARG A 29 -5.047 11.497 -2.940 1.00 0.00 C ATOM 521 O ARG A 29 -6.166 11.046 -2.696 1.00 0.00 O ATOM 522 CB ARG A 29 -4.932 13.716 -4.087 1.00 0.00 C ATOM 523 CG ARG A 29 -6.382 13.820 -4.528 1.00 0.00 C ATOM 524 CD ARG A 29 -6.998 15.146 -4.111 1.00 0.00 C ATOM 525 NE ARG A 29 -8.451 15.147 -4.259 1.00 0.00 N ATOM 526 CZ ARG A 29 -9.275 14.436 -3.494 1.00 0.00 C ATOM 527 NH1 ARG A 29 -8.794 13.663 -2.527 1.00 0.00 N ATOM 528 NH2 ARG A 29 -10.584 14.496 -3.695 1.00 0.00 N ATOM 0 H ARG A 29 -2.794 13.730 -2.869 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.445 13.387 -2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.515 14.719 -4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.362 13.200 -4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.442 13.714 -5.611 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.955 13.000 -4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.740 15.355 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.572 15.949 -4.713 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.858 15.727 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.788 13.612 -2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.431 13.120 -1.944 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.960 15.087 -4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.216 13.951 -3.108 1.00 0.00 H new ATOM 542 N ARG A 30 -4.044 10.742 -3.381 1.00 0.00 N ATOM 543 CA ARG A 30 -4.207 9.311 -3.608 1.00 0.00 C ATOM 544 C ARG A 30 -4.395 8.560 -2.295 1.00 0.00 C ATOM 545 O ARG A 30 -5.265 7.697 -2.182 1.00 0.00 O ATOM 546 CB ARG A 30 -2.998 8.754 -4.358 1.00 0.00 C ATOM 547 CG ARG A 30 -3.060 8.973 -5.861 1.00 0.00 C ATOM 548 CD ARG A 30 -4.232 8.231 -6.483 1.00 0.00 C ATOM 549 NE ARG A 30 -3.841 7.496 -7.685 1.00 0.00 N ATOM 550 CZ ARG A 30 -3.949 7.976 -8.923 1.00 0.00 C ATOM 551 NH1 ARG A 30 -4.425 9.198 -9.134 1.00 0.00 N ATOM 552 NH2 ARG A 30 -3.574 7.232 -9.953 1.00 0.00 N ATOM 0 H ARG A 30 -3.111 11.098 -3.588 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.103 9.168 -4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.093 9.220 -3.968 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.918 7.686 -4.158 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.150 10.039 -6.071 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.130 8.635 -6.318 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.649 7.537 -5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.019 8.942 -6.733 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.462 6.556 -7.568 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.711 9.777 -8.345 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.504 9.557 -10.085 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.204 6.294 -9.797 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.655 7.597 -10.902 1.00 0.00 H new ATOM 566 N ARG A 31 -3.575 8.890 -1.305 1.00 0.00 N ATOM 567 CA ARG A 31 -3.656 8.241 -0.004 1.00 0.00 C ATOM 568 C ARG A 31 -5.014 8.496 0.642 1.00 0.00 C ATOM 569 O ARG A 31 -5.660 7.574 1.139 1.00 0.00 O ATOM 570 CB ARG A 31 -2.537 8.743 0.912 1.00 0.00 C ATOM 571 CG ARG A 31 -1.759 7.627 1.588 1.00 0.00 C ATOM 572 CD ARG A 31 -0.587 8.171 2.388 1.00 0.00 C ATOM 573 NE ARG A 31 0.426 8.783 1.529 1.00 0.00 N ATOM 574 CZ ARG A 31 0.672 10.092 1.472 1.00 0.00 C ATOM 575 NH1 ARG A 31 -0.023 10.946 2.214 1.00 0.00 N ATOM 576 NH2 ARG A 31 1.619 10.549 0.664 1.00 0.00 N ATOM 0 H ARG A 31 -2.848 9.602 -1.378 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.538 7.167 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.848 9.354 0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.967 9.390 1.677 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.422 7.067 2.247 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.394 6.929 0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.948 8.909 3.104 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.135 7.363 2.963 1.00 0.00 H new ATOM 0 HE ARG A 31 0.981 8.168 0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.755 10.603 2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.175 11.945 2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.156 9.900 0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.810 11.550 0.617 1.00 0.00 H new ATOM 590 N GLN A 32 -5.438 9.755 0.626 1.00 0.00 N ATOM 591 CA GLN A 32 -6.719 10.144 1.207 1.00 0.00 C ATOM 592 C GLN A 32 -7.877 9.460 0.489 1.00 0.00 C ATOM 593 O GLN A 32 -8.818 8.981 1.122 1.00 0.00 O ATOM 594 CB GLN A 32 -6.891 11.663 1.142 1.00 0.00 C ATOM 595 CG GLN A 32 -8.144 12.165 1.841 1.00 0.00 C ATOM 596 CD GLN A 32 -8.820 13.293 1.088 1.00 0.00 C ATOM 597 OE1 GLN A 32 -8.401 14.448 1.168 1.00 0.00 O ATOM 598 NE2 GLN A 32 -9.874 12.963 0.349 1.00 0.00 N ATOM 0 H GLN A 32 -4.912 10.526 0.216 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.726 9.827 2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.019 12.138 1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.919 11.972 0.097 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.846 11.339 1.958 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.884 12.507 2.843 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.187 11.993 0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.370 13.680 -0.181 1.00 0.00 H new ATOM 607 N GLN A 33 -7.802 9.415 -0.837 1.00 0.00 N ATOM 608 CA GLN A 33 -8.846 8.789 -1.640 1.00 0.00 C ATOM 609 C GLN A 33 -8.882 7.285 -1.396 1.00 0.00 C ATOM 610 O GLN A 33 -9.952 6.688 -1.287 1.00 0.00 O ATOM 611 CB GLN A 33 -8.615 9.070 -3.126 1.00 0.00 C ATOM 612 CG GLN A 33 -9.296 10.336 -3.619 1.00 0.00 C ATOM 613 CD GLN A 33 -10.800 10.190 -3.714 1.00 0.00 C ATOM 614 OE1 GLN A 33 -11.531 10.543 -2.788 1.00 0.00 O ATOM 615 NE2 GLN A 33 -11.275 9.666 -4.839 1.00 0.00 N ATOM 0 H GLN A 33 -7.030 9.804 -1.378 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.805 9.214 -1.344 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.544 9.149 -3.310 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.977 8.222 -3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.057 11.159 -2.945 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.898 10.600 -4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.634 9.387 -5.582 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.280 9.543 -4.960 1.00 0.00 H new ATOM 624 N LEU A 34 -7.703 6.681 -1.306 1.00 0.00 N ATOM 625 CA LEU A 34 -7.595 5.247 -1.071 1.00 0.00 C ATOM 626 C LEU A 34 -8.122 4.883 0.314 1.00 0.00 C ATOM 627 O LEU A 34 -8.847 3.901 0.473 1.00 0.00 O ATOM 628 CB LEU A 34 -6.138 4.795 -1.212 1.00 0.00 C ATOM 629 CG LEU A 34 -5.790 4.145 -2.550 1.00 0.00 C ATOM 630 CD1 LEU A 34 -4.283 3.984 -2.687 1.00 0.00 C ATOM 631 CD2 LEU A 34 -6.485 2.799 -2.686 1.00 0.00 C ATOM 0 H LEU A 34 -6.808 7.163 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.201 4.733 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.490 5.659 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.914 4.089 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.141 4.795 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.052 3.519 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.806 4.963 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.909 3.354 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.225 2.351 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.164 2.141 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.565 2.940 -2.632 1.00 0.00 H new ATOM 643 N SER A 35 -7.753 5.679 1.313 1.00 0.00 N ATOM 644 CA SER A 35 -8.191 5.436 2.682 1.00 0.00 C ATOM 645 C SER A 35 -9.709 5.494 2.782 1.00 0.00 C ATOM 646 O SER A 35 -10.331 4.638 3.406 1.00 0.00 O ATOM 647 CB SER A 35 -7.566 6.457 3.635 1.00 0.00 C ATOM 648 OG SER A 35 -7.305 7.682 2.974 1.00 0.00 O ATOM 0 H SER A 35 -7.153 6.496 1.200 1.00 0.00 H new ATOM 0 HA SER A 35 -7.861 4.438 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.236 6.631 4.477 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.638 6.056 4.044 1.00 0.00 H new ATOM 0 HG SER A 35 -6.379 7.690 2.655 1.00 0.00 H new ATOM 654 N SER A 36 -10.296 6.514 2.169 1.00 0.00 N ATOM 655 CA SER A 36 -11.744 6.690 2.190 1.00 0.00 C ATOM 656 C SER A 36 -12.450 5.634 1.340 1.00 0.00 C ATOM 657 O SER A 36 -13.509 5.131 1.714 1.00 0.00 O ATOM 658 CB SER A 36 -12.113 8.089 1.692 1.00 0.00 C ATOM 659 OG SER A 36 -13.189 8.628 2.439 1.00 0.00 O ATOM 0 H SER A 36 -9.792 7.233 1.650 1.00 0.00 H new ATOM 0 HA SER A 36 -12.077 6.572 3.221 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.247 8.746 1.770 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.385 8.043 0.637 1.00 0.00 H new ATOM 0 HG SER A 36 -13.405 9.523 2.103 1.00 0.00 H new ATOM 665 N GLU A 37 -11.866 5.318 0.187 1.00 0.00 N ATOM 666 CA GLU A 37 -12.451 4.339 -0.729 1.00 0.00 C ATOM 667 C GLU A 37 -12.415 2.923 -0.155 1.00 0.00 C ATOM 668 O GLU A 37 -13.421 2.213 -0.180 1.00 0.00 O ATOM 669 CB GLU A 37 -11.718 4.372 -2.072 1.00 0.00 C ATOM 670 CG GLU A 37 -12.345 5.319 -3.083 1.00 0.00 C ATOM 671 CD GLU A 37 -11.759 5.162 -4.472 1.00 0.00 C ATOM 672 OE1 GLU A 37 -10.519 5.061 -4.586 1.00 0.00 O ATOM 673 OE2 GLU A 37 -12.540 5.138 -5.447 1.00 0.00 O ATOM 0 H GLU A 37 -10.988 5.725 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.496 4.612 -0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.682 4.667 -1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.699 3.366 -2.491 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.420 5.141 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.205 6.347 -2.748 1.00 0.00 H new ATOM 680 N LEU A 38 -11.255 2.510 0.343 1.00 0.00 N ATOM 681 CA LEU A 38 -11.101 1.168 0.902 1.00 0.00 C ATOM 682 C LEU A 38 -11.530 1.120 2.365 1.00 0.00 C ATOM 683 O LEU A 38 -11.930 0.070 2.869 1.00 0.00 O ATOM 684 CB LEU A 38 -9.648 0.707 0.779 1.00 0.00 C ATOM 685 CG LEU A 38 -9.036 0.847 -0.615 1.00 0.00 C ATOM 686 CD1 LEU A 38 -7.522 0.720 -0.548 1.00 0.00 C ATOM 687 CD2 LEU A 38 -9.618 -0.194 -1.558 1.00 0.00 C ATOM 0 H LEU A 38 -10.410 3.080 0.372 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.746 0.498 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.042 1.277 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.589 -0.339 1.081 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.280 1.837 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.104 0.822 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.119 1.503 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.256 -0.256 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.172 -0.080 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.403 -1.192 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.697 -0.057 -1.630 1.00 0.00 H new ATOM 699 N GLY A 39 -11.436 2.256 3.043 1.00 0.00 N ATOM 700 CA GLY A 39 -11.808 2.316 4.444 1.00 0.00 C ATOM 701 C GLY A 39 -10.640 2.002 5.357 1.00 0.00 C ATOM 702 O GLY A 39 -10.813 1.399 6.416 1.00 0.00 O ATOM 0 H GLY A 39 -11.109 3.138 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.191 3.310 4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.617 1.610 4.635 1.00 0.00 H new ATOM 706 N LEU A 40 -9.445 2.411 4.941 1.00 0.00 N ATOM 707 CA LEU A 40 -8.237 2.170 5.722 1.00 0.00 C ATOM 708 C LEU A 40 -7.540 3.480 6.070 1.00 0.00 C ATOM 709 O LEU A 40 -7.918 4.545 5.581 1.00 0.00 O ATOM 710 CB LEU A 40 -7.278 1.264 4.946 1.00 0.00 C ATOM 711 CG LEU A 40 -7.705 -0.204 4.850 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.774 -0.648 3.397 1.00 0.00 C ATOM 713 CD2 LEU A 40 -6.748 -1.091 5.635 1.00 0.00 C ATOM 0 H LEU A 40 -9.288 2.911 4.066 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.528 1.677 6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.165 1.660 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.297 1.311 5.418 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.700 -0.301 5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.079 -1.693 3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.499 -0.034 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.793 -0.535 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.067 -2.130 5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.741 -0.988 5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.750 -0.790 6.683 1.00 0.00 H new ATOM 725 N ASN A 41 -6.520 3.394 6.916 1.00 0.00 N ATOM 726 CA ASN A 41 -5.767 4.572 7.330 1.00 0.00 C ATOM 727 C ASN A 41 -4.704 4.928 6.294 1.00 0.00 C ATOM 728 O ASN A 41 -4.059 4.048 5.722 1.00 0.00 O ATOM 729 CB ASN A 41 -5.112 4.332 8.692 1.00 0.00 C ATOM 730 CG ASN A 41 -5.382 5.458 9.671 1.00 0.00 C ATOM 731 OD1 ASN A 41 -4.463 5.986 10.297 1.00 0.00 O ATOM 732 ND2 ASN A 41 -6.649 5.834 9.806 1.00 0.00 N ATOM 0 H ASN A 41 -6.195 2.520 7.329 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.462 5.408 7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.481 3.395 9.109 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.036 4.220 8.560 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.891 6.588 10.449 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.379 5.369 9.267 1.00 0.00 H new ATOM 739 N GLU A 42 -4.525 6.225 6.058 1.00 0.00 N ATOM 740 CA GLU A 42 -3.540 6.699 5.093 1.00 0.00 C ATOM 741 C GLU A 42 -2.168 6.090 5.369 1.00 0.00 C ATOM 742 O GLU A 42 -1.440 5.729 4.444 1.00 0.00 O ATOM 743 CB GLU A 42 -3.453 8.227 5.132 1.00 0.00 C ATOM 744 CG GLU A 42 -4.652 8.919 4.503 1.00 0.00 C ATOM 745 CD GLU A 42 -5.013 10.213 5.207 1.00 0.00 C ATOM 746 OE1 GLU A 42 -4.922 10.257 6.452 1.00 0.00 O ATOM 747 OE2 GLU A 42 -5.388 11.182 4.514 1.00 0.00 O ATOM 0 H GLU A 42 -5.050 6.966 6.523 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.861 6.385 4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.359 8.551 6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.548 8.545 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.438 9.127 3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.509 8.246 4.526 1.00 0.00 H new ATOM 754 N ALA A 43 -1.825 5.975 6.648 1.00 0.00 N ATOM 755 CA ALA A 43 -0.543 5.405 7.047 1.00 0.00 C ATOM 756 C ALA A 43 -0.448 3.936 6.648 1.00 0.00 C ATOM 757 O ALA A 43 0.627 3.442 6.303 1.00 0.00 O ATOM 758 CB ALA A 43 -0.340 5.560 8.547 1.00 0.00 C ATOM 0 H ALA A 43 -2.416 6.269 7.425 1.00 0.00 H new ATOM 0 HA ALA A 43 0.246 5.948 6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.621 5.130 8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.356 6.618 8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.140 5.043 9.078 1.00 0.00 H new ATOM 764 N GLN A 44 -1.580 3.241 6.694 1.00 0.00 N ATOM 765 CA GLN A 44 -1.621 1.828 6.337 1.00 0.00 C ATOM 766 C GLN A 44 -1.403 1.652 4.841 1.00 0.00 C ATOM 767 O GLN A 44 -0.682 0.751 4.410 1.00 0.00 O ATOM 768 CB GLN A 44 -2.959 1.210 6.747 1.00 0.00 C ATOM 769 CG GLN A 44 -3.361 1.523 8.180 1.00 0.00 C ATOM 770 CD GLN A 44 -3.375 0.291 9.065 1.00 0.00 C ATOM 771 OE1 GLN A 44 -2.837 -0.755 8.700 1.00 0.00 O ATOM 772 NE2 GLN A 44 -3.991 0.409 10.235 1.00 0.00 N ATOM 0 H GLN A 44 -2.479 3.632 6.974 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.821 1.316 6.872 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.737 1.569 6.074 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.904 0.129 6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.670 2.256 8.595 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.351 1.980 8.184 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.423 1.295 10.497 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.032 -0.386 10.872 1.00 0.00 H new ATOM 781 N ILE A 45 -2.019 2.524 4.051 1.00 0.00 N ATOM 782 CA ILE A 45 -1.876 2.466 2.604 1.00 0.00 C ATOM 783 C ILE A 45 -0.448 2.813 2.198 1.00 0.00 C ATOM 784 O ILE A 45 0.137 2.166 1.331 1.00 0.00 O ATOM 785 CB ILE A 45 -2.851 3.428 1.900 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.276 3.210 2.413 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.790 3.236 0.392 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.034 4.496 2.649 1.00 0.00 C ATOM 0 H ILE A 45 -2.620 3.276 4.388 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.110 1.447 2.295 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.555 4.452 2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.824 2.601 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.236 2.645 3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.485 3.923 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.778 3.437 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.063 2.210 0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.036 4.266 3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.508 5.097 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.105 5.053 1.715 1.00 0.00 H new ATOM 800 N LYS A 46 0.107 3.837 2.840 1.00 0.00 N ATOM 801 CA LYS A 46 1.470 4.270 2.557 1.00 0.00 C ATOM 802 C LYS A 46 2.458 3.134 2.797 1.00 0.00 C ATOM 803 O LYS A 46 3.340 2.881 1.976 1.00 0.00 O ATOM 804 CB LYS A 46 1.837 5.472 3.428 1.00 0.00 C ATOM 805 CG LYS A 46 2.651 6.527 2.696 1.00 0.00 C ATOM 806 CD LYS A 46 3.833 6.998 3.527 1.00 0.00 C ATOM 807 CE LYS A 46 4.939 7.571 2.653 1.00 0.00 C ATOM 808 NZ LYS A 46 5.448 8.869 3.176 1.00 0.00 N ATOM 0 H LYS A 46 -0.367 4.382 3.560 1.00 0.00 H new ATOM 0 HA LYS A 46 1.523 4.562 1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.923 5.929 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.402 5.125 4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.009 6.120 1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.013 7.377 2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.501 7.755 4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.224 6.164 4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.760 6.857 2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.564 7.711 1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.200 9.224 2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.670 9.559 3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.830 8.732 4.134 1.00 0.00 H new ATOM 822 N ILE A 47 2.303 2.449 3.928 1.00 0.00 N ATOM 823 CA ILE A 47 3.183 1.338 4.269 1.00 0.00 C ATOM 824 C ILE A 47 2.967 0.164 3.321 1.00 0.00 C ATOM 825 O ILE A 47 3.917 -0.511 2.925 1.00 0.00 O ATOM 826 CB ILE A 47 2.966 0.869 5.722 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.184 2.032 6.692 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.899 -0.286 6.058 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.533 1.824 8.040 1.00 0.00 C ATOM 0 H ILE A 47 1.579 2.644 4.620 1.00 0.00 H new ATOM 0 HA ILE A 47 4.207 1.699 4.169 1.00 0.00 H new ATOM 0 HB ILE A 47 1.939 0.519 5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.254 2.181 6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.792 2.946 6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.730 -0.602 7.087 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.702 -1.120 5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.934 0.037 5.943 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.729 2.687 8.676 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.457 1.706 7.910 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.943 0.929 8.508 1.00 0.00 H new ATOM 841 N TRP A 48 1.711 -0.073 2.955 1.00 0.00 N ATOM 842 CA TRP A 48 1.377 -1.164 2.050 1.00 0.00 C ATOM 843 C TRP A 48 2.051 -0.964 0.697 1.00 0.00 C ATOM 844 O TRP A 48 2.609 -1.900 0.125 1.00 0.00 O ATOM 845 CB TRP A 48 -0.138 -1.266 1.867 1.00 0.00 C ATOM 846 CG TRP A 48 -0.548 -2.380 0.951 1.00 0.00 C ATOM 847 CD1 TRP A 48 -0.910 -3.646 1.312 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.631 -2.329 -0.478 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.213 -4.385 0.195 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.050 -3.600 -0.916 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.393 -1.332 -1.431 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.234 -3.900 -2.264 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.577 -1.632 -2.768 1.00 0.00 C ATOM 854 CH2 TRP A 48 -0.993 -2.906 -3.173 1.00 0.00 C ATOM 0 H TRP A 48 0.911 0.475 3.271 1.00 0.00 H new ATOM 0 HA TRP A 48 1.741 -2.092 2.490 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.606 -1.414 2.840 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.514 -0.322 1.472 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.952 -4.012 2.327 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.511 -5.360 0.193 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.072 -0.347 -1.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.555 -4.881 -2.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.397 -0.871 -3.513 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.127 -3.109 -4.225 1.00 0.00 H new ATOM 865 N PHE A 49 1.996 0.263 0.193 1.00 0.00 N ATOM 866 CA PHE A 49 2.603 0.588 -1.091 1.00 0.00 C ATOM 867 C PHE A 49 4.115 0.407 -1.031 1.00 0.00 C ATOM 868 O PHE A 49 4.705 -0.255 -1.884 1.00 0.00 O ATOM 869 CB PHE A 49 2.259 2.023 -1.492 1.00 0.00 C ATOM 870 CG PHE A 49 1.185 2.110 -2.537 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.143 1.889 -2.205 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.501 2.411 -3.851 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.134 1.967 -3.164 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.514 2.490 -4.814 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.804 2.268 -4.471 1.00 0.00 C ATOM 0 H PHE A 49 1.537 1.049 0.654 1.00 0.00 H new ATOM 0 HA PHE A 49 2.203 -0.093 -1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.939 2.573 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.158 2.514 -1.864 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.406 1.653 -1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.531 2.586 -4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.165 1.793 -2.892 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.774 2.726 -5.835 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.576 2.330 -5.223 1.00 0.00 H new ATOM 885 N GLN A 50 4.735 0.995 -0.014 1.00 0.00 N ATOM 886 CA GLN A 50 6.179 0.895 0.160 1.00 0.00 C ATOM 887 C GLN A 50 6.593 -0.553 0.401 1.00 0.00 C ATOM 888 O GLN A 50 7.605 -1.016 -0.126 1.00 0.00 O ATOM 889 CB GLN A 50 6.635 1.773 1.326 1.00 0.00 C ATOM 890 CG GLN A 50 7.190 3.119 0.891 1.00 0.00 C ATOM 891 CD GLN A 50 6.101 4.109 0.526 1.00 0.00 C ATOM 892 OE1 GLN A 50 5.906 5.114 1.210 1.00 0.00 O ATOM 893 NE2 GLN A 50 5.385 3.830 -0.556 1.00 0.00 N ATOM 0 H GLN A 50 4.261 1.545 0.702 1.00 0.00 H new ATOM 0 HA GLN A 50 6.659 1.245 -0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.793 1.936 1.998 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.398 1.241 1.894 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.798 3.534 1.695 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.848 2.976 0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.581 2.986 -1.093 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.639 4.460 -0.850 1.00 0.00 H new ATOM 902 N ASN A 51 5.803 -1.265 1.200 1.00 0.00 N ATOM 903 CA ASN A 51 6.087 -2.661 1.508 1.00 0.00 C ATOM 904 C ASN A 51 5.945 -3.530 0.264 1.00 0.00 C ATOM 905 O ASN A 51 6.684 -4.498 0.082 1.00 0.00 O ATOM 906 CB ASN A 51 5.146 -3.166 2.602 1.00 0.00 C ATOM 907 CG ASN A 51 5.661 -2.858 3.995 1.00 0.00 C ATOM 908 OD1 ASN A 51 5.804 -3.752 4.828 1.00 0.00 O ATOM 909 ND2 ASN A 51 5.942 -1.586 4.252 1.00 0.00 N ATOM 0 H ASN A 51 4.962 -0.897 1.645 1.00 0.00 H new ATOM 0 HA ASN A 51 7.115 -2.726 1.863 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.164 -2.711 2.472 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.015 -4.243 2.496 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.292 -1.317 5.171 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.808 -0.878 3.530 1.00 0.00 H new ATOM 916 N LYS A 52 4.991 -3.177 -0.591 1.00 0.00 N ATOM 917 CA LYS A 52 4.751 -3.924 -1.818 1.00 0.00 C ATOM 918 C LYS A 52 5.923 -3.773 -2.783 1.00 0.00 C ATOM 919 O LYS A 52 6.389 -4.753 -3.367 1.00 0.00 O ATOM 920 CB LYS A 52 3.455 -3.450 -2.481 1.00 0.00 C ATOM 921 CG LYS A 52 2.351 -4.496 -2.468 1.00 0.00 C ATOM 922 CD LYS A 52 1.619 -4.552 -3.800 1.00 0.00 C ATOM 923 CE LYS A 52 2.263 -5.549 -4.749 1.00 0.00 C ATOM 924 NZ LYS A 52 1.245 -6.367 -5.467 1.00 0.00 N ATOM 0 H LYS A 52 4.372 -2.378 -0.456 1.00 0.00 H new ATOM 0 HA LYS A 52 4.652 -4.979 -1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.102 -2.554 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.666 -3.168 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.778 -5.474 -2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.642 -4.268 -1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.578 -4.828 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.617 -3.562 -4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.878 -5.016 -5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.928 -6.206 -4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.723 -7.035 -6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.675 -6.896 -4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.626 -5.742 -6.022 1.00 0.00 H new ATOM 938 N ARG A 53 6.399 -2.543 -2.945 1.00 0.00 N ATOM 939 CA ARG A 53 7.521 -2.270 -3.838 1.00 0.00 C ATOM 940 C ARG A 53 8.788 -2.959 -3.341 1.00 0.00 C ATOM 941 O ARG A 53 9.657 -3.325 -4.132 1.00 0.00 O ATOM 942 CB ARG A 53 7.757 -0.763 -3.954 1.00 0.00 C ATOM 943 CG ARG A 53 8.220 -0.326 -5.336 1.00 0.00 C ATOM 944 CD ARG A 53 9.598 0.315 -5.291 1.00 0.00 C ATOM 945 NE ARG A 53 9.520 1.767 -5.143 1.00 0.00 N ATOM 946 CZ ARG A 53 10.460 2.610 -5.569 1.00 0.00 C ATOM 947 NH1 ARG A 53 11.556 2.153 -6.162 1.00 0.00 N ATOM 948 NH2 ARG A 53 10.303 3.916 -5.398 1.00 0.00 N ATOM 0 H ARG A 53 6.027 -1.720 -2.471 1.00 0.00 H new ATOM 0 HA ARG A 53 7.274 -2.666 -4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.834 -0.239 -3.706 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.502 -0.462 -3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.241 -1.188 -6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.503 0.381 -5.753 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.166 -0.104 -4.461 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.141 0.072 -6.204 1.00 0.00 H new ATOM 0 HE ARG A 53 8.696 2.159 -4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.684 1.150 -6.295 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.271 2.805 -6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.464 4.273 -4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.021 4.563 -5.723 1.00 0.00 H new