USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=7 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 32 GLN : amide:sc= -0.188 X(o=0.72,f=0.9) USER MOD Set 1.2: A 36 SER OG : rot 77:sc= 0.913 USER MOD Single : A 9 SER OG : rot 180:sc= 0.301 USER MOD Single : A 10 SER OG : rot 180:sc= 0.119 USER MOD Single : A 12 GLN : amide:sc= -2.91! C(o=-2.9!,f=-5.1!) 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=-0.026) USER MOD Single : A 23 ASN : amide:sc= -0.0472 K(o=-0.047,f=-1.8!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.236 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -81:sc= 0.0401 USER MOD Single : A 41 ASN : amide:sc= -0.0409 X(o=-0.041,f=-0.5) USER MOD Single : A 44 GLN : amide:sc= -0.0142 K(o=-0.014,f=-0.9) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0398 X(o=-0.04,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0159) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.115 -6.577 3.485 1.00 0.00 N ATOM 176 CA SER A 9 -9.175 -7.457 3.007 1.00 0.00 C ATOM 177 C SER A 9 -8.963 -7.802 1.539 1.00 0.00 C ATOM 178 O SER A 9 -8.278 -7.079 0.818 1.00 0.00 O ATOM 179 CB SER A 9 -10.540 -6.789 3.190 1.00 0.00 C ATOM 180 OG SER A 9 -10.875 -5.990 2.066 1.00 0.00 O ATOM 0 HA SER A 9 -9.146 -8.377 3.591 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.304 -7.552 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.528 -6.171 4.088 1.00 0.00 H new ATOM 0 HG SER A 9 -11.752 -5.576 2.208 1.00 0.00 H new ATOM 186 N SER A 10 -9.561 -8.902 1.094 1.00 0.00 N ATOM 187 CA SER A 10 -9.433 -9.323 -0.297 1.00 0.00 C ATOM 188 C SER A 10 -9.824 -8.186 -1.237 1.00 0.00 C ATOM 189 O SER A 10 -9.171 -7.957 -2.256 1.00 0.00 O ATOM 190 CB SER A 10 -10.301 -10.551 -0.568 1.00 0.00 C ATOM 191 OG SER A 10 -10.637 -11.216 0.638 1.00 0.00 O ATOM 0 H SER A 10 -10.136 -9.515 1.672 1.00 0.00 H new ATOM 0 HA SER A 10 -8.391 -9.586 -0.480 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.211 -10.249 -1.086 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.770 -11.236 -1.229 1.00 0.00 H new ATOM 0 HG SER A 10 -11.194 -11.997 0.437 1.00 0.00 H new ATOM 197 N GLU A 11 -10.885 -7.468 -0.880 1.00 0.00 N ATOM 198 CA GLU A 11 -11.353 -6.346 -1.683 1.00 0.00 C ATOM 199 C GLU A 11 -10.284 -5.262 -1.746 1.00 0.00 C ATOM 200 O GLU A 11 -9.985 -4.728 -2.815 1.00 0.00 O ATOM 201 CB GLU A 11 -12.649 -5.776 -1.103 1.00 0.00 C ATOM 202 CG GLU A 11 -13.895 -6.210 -1.859 1.00 0.00 C ATOM 203 CD GLU A 11 -14.839 -7.034 -1.004 1.00 0.00 C ATOM 204 OE1 GLU A 11 -15.411 -6.476 -0.044 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.006 -8.237 -1.295 1.00 0.00 O ATOM 0 H GLU A 11 -11.436 -7.644 -0.040 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.553 -6.703 -2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.739 -6.086 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.592 -4.688 -1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.419 -5.327 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.601 -6.791 -2.733 1.00 0.00 H new ATOM 212 N GLN A 12 -9.701 -4.952 -0.591 1.00 0.00 N ATOM 213 CA GLN A 12 -8.653 -3.943 -0.514 1.00 0.00 C ATOM 214 C GLN A 12 -7.407 -4.421 -1.250 1.00 0.00 C ATOM 215 O GLN A 12 -6.656 -3.625 -1.814 1.00 0.00 O ATOM 216 CB GLN A 12 -8.306 -3.646 0.946 1.00 0.00 C ATOM 217 CG GLN A 12 -9.406 -2.917 1.699 1.00 0.00 C ATOM 218 CD GLN A 12 -9.356 -3.167 3.194 1.00 0.00 C ATOM 219 OE1 GLN A 12 -8.407 -3.763 3.704 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.380 -2.710 3.904 1.00 0.00 N ATOM 0 H GLN A 12 -9.937 -5.385 0.302 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.018 -3.030 -0.985 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.089 -4.584 1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.396 -3.047 0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.322 -1.847 1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.375 -3.233 1.314 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.145 -2.221 3.439 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.402 -2.847 4.914 1.00 0.00 H new ATOM 229 N LEU A 13 -7.201 -5.733 -1.237 1.00 0.00 N ATOM 230 CA LEU A 13 -6.054 -6.341 -1.896 1.00 0.00 C ATOM 231 C LEU A 13 -6.135 -6.143 -3.405 1.00 0.00 C ATOM 232 O LEU A 13 -5.175 -5.698 -4.034 1.00 0.00 O ATOM 233 CB LEU A 13 -5.994 -7.836 -1.565 1.00 0.00 C ATOM 234 CG LEU A 13 -5.133 -8.215 -0.354 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.672 -8.318 -0.754 1.00 0.00 C ATOM 236 CD2 LEU A 13 -5.306 -7.213 0.782 1.00 0.00 C ATOM 0 H LEU A 13 -7.819 -6.399 -0.773 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.147 -5.857 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.010 -8.192 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.615 -8.368 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.467 -9.189 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.074 -8.588 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.558 -9.082 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.333 -7.358 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.683 -7.509 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.008 -6.221 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.351 -7.191 1.092 1.00 0.00 H new ATOM 248 N ALA A 14 -7.287 -6.474 -3.979 1.00 0.00 N ATOM 249 CA ALA A 14 -7.497 -6.331 -5.415 1.00 0.00 C ATOM 250 C ALA A 14 -7.402 -4.869 -5.835 1.00 0.00 C ATOM 251 O ALA A 14 -6.738 -4.535 -6.817 1.00 0.00 O ATOM 252 CB ALA A 14 -8.845 -6.912 -5.812 1.00 0.00 C ATOM 0 H ALA A 14 -8.090 -6.844 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.712 -6.884 -5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.988 -6.798 -6.887 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.876 -7.970 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.639 -6.385 -5.283 1.00 0.00 H new ATOM 258 N ARG A 15 -8.068 -4.000 -5.083 1.00 0.00 N ATOM 259 CA ARG A 15 -8.058 -2.571 -5.374 1.00 0.00 C ATOM 260 C ARG A 15 -6.644 -2.011 -5.261 1.00 0.00 C ATOM 261 O ARG A 15 -6.186 -1.271 -6.133 1.00 0.00 O ATOM 262 CB ARG A 15 -8.992 -1.829 -4.416 1.00 0.00 C ATOM 263 CG ARG A 15 -9.703 -0.646 -5.053 1.00 0.00 C ATOM 264 CD ARG A 15 -11.059 -1.045 -5.614 1.00 0.00 C ATOM 265 NE ARG A 15 -12.120 -0.140 -5.177 1.00 0.00 N ATOM 266 CZ ARG A 15 -13.363 -0.173 -5.650 1.00 0.00 C ATOM 267 NH1 ARG A 15 -13.708 -1.064 -6.571 1.00 0.00 N ATOM 268 NH2 ARG A 15 -14.267 0.688 -5.199 1.00 0.00 N ATOM 0 H ARG A 15 -8.622 -4.260 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.410 -2.426 -6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.737 -2.527 -4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.416 -1.478 -3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.833 0.143 -4.313 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.085 -0.236 -5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.013 -1.051 -6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.297 -2.061 -5.299 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.894 0.558 -4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.018 -1.729 -6.921 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.663 -1.084 -6.929 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.008 1.374 -4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.220 0.663 -5.561 1.00 0.00 H new ATOM 282 N LEU A 16 -5.959 -2.373 -4.183 1.00 0.00 N ATOM 283 CA LEU A 16 -4.596 -1.909 -3.953 1.00 0.00 C ATOM 284 C LEU A 16 -3.651 -2.451 -5.021 1.00 0.00 C ATOM 285 O LEU A 16 -2.790 -1.729 -5.525 1.00 0.00 O ATOM 286 CB LEU A 16 -4.119 -2.336 -2.563 1.00 0.00 C ATOM 287 CG LEU A 16 -4.757 -1.577 -1.398 1.00 0.00 C ATOM 288 CD1 LEU A 16 -4.771 -2.437 -0.144 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.018 -0.273 -1.145 1.00 0.00 C ATOM 0 H LEU A 16 -6.325 -2.986 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.592 -0.821 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.320 -3.400 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.038 -2.208 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.788 -1.342 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.228 -1.880 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.345 -3.344 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.749 -2.704 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.485 0.254 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.977 -0.486 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.061 0.349 -2.039 1.00 0.00 H new ATOM 301 N LYS A 17 -3.820 -3.724 -5.367 1.00 0.00 N ATOM 302 CA LYS A 17 -2.983 -4.357 -6.381 1.00 0.00 C ATOM 303 C LYS A 17 -3.174 -3.682 -7.735 1.00 0.00 C ATOM 304 O LYS A 17 -2.229 -3.553 -8.515 1.00 0.00 O ATOM 305 CB LYS A 17 -3.312 -5.849 -6.491 1.00 0.00 C ATOM 306 CG LYS A 17 -2.252 -6.754 -5.882 1.00 0.00 C ATOM 307 CD LYS A 17 -2.221 -8.112 -6.566 1.00 0.00 C ATOM 308 CE LYS A 17 -2.021 -9.237 -5.564 1.00 0.00 C ATOM 309 NZ LYS A 17 -2.609 -10.519 -6.043 1.00 0.00 N ATOM 0 H LYS A 17 -4.528 -4.336 -4.961 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.942 -4.246 -6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.266 -6.039 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.438 -6.108 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.274 -6.280 -5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.451 -6.885 -4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.153 -8.268 -7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.417 -8.132 -7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.955 -9.373 -5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.477 -8.961 -4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.451 -11.261 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.631 -10.397 -6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.156 -10.796 -6.937 1.00 0.00 H new ATOM 323 N ARG A 18 -4.402 -3.255 -8.008 1.00 0.00 N ATOM 324 CA ARG A 18 -4.720 -2.593 -9.268 1.00 0.00 C ATOM 325 C ARG A 18 -4.026 -1.237 -9.359 1.00 0.00 C ATOM 326 O ARG A 18 -3.358 -0.936 -10.348 1.00 0.00 O ATOM 327 CB ARG A 18 -6.235 -2.420 -9.408 1.00 0.00 C ATOM 328 CG ARG A 18 -6.812 -3.096 -10.641 1.00 0.00 C ATOM 329 CD ARG A 18 -7.713 -2.155 -11.429 1.00 0.00 C ATOM 330 NE ARG A 18 -9.010 -2.761 -11.725 1.00 0.00 N ATOM 331 CZ ARG A 18 -9.169 -3.825 -12.509 1.00 0.00 C ATOM 332 NH1 ARG A 18 -8.119 -4.403 -13.078 1.00 0.00 N ATOM 333 NH2 ARG A 18 -10.383 -4.312 -12.725 1.00 0.00 N ATOM 0 H ARG A 18 -5.194 -3.356 -7.373 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.358 -3.219 -10.083 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.722 -2.824 -8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.469 -1.356 -9.444 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.000 -3.442 -11.280 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.379 -3.977 -10.341 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.863 -1.236 -10.862 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.221 -1.877 -12.361 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.842 -2.344 -11.306 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.183 -4.032 -12.916 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.248 -5.218 -13.678 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.194 -3.871 -12.291 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.506 -5.127 -13.326 1.00 0.00 H new ATOM 347 N GLU A 19 -4.188 -0.424 -8.321 1.00 0.00 N ATOM 348 CA GLU A 19 -3.575 0.899 -8.285 1.00 0.00 C ATOM 349 C GLU A 19 -2.054 0.795 -8.282 1.00 0.00 C ATOM 350 O GLU A 19 -1.366 1.559 -8.960 1.00 0.00 O ATOM 351 CB GLU A 19 -4.049 1.670 -7.051 1.00 0.00 C ATOM 352 CG GLU A 19 -5.267 2.542 -7.309 1.00 0.00 C ATOM 353 CD GLU A 19 -4.952 4.023 -7.234 1.00 0.00 C ATOM 354 OE1 GLU A 19 -5.038 4.593 -6.127 1.00 0.00 O ATOM 355 OE2 GLU A 19 -4.621 4.613 -8.284 1.00 0.00 O ATOM 0 H GLU A 19 -4.738 -0.657 -7.494 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.881 1.438 -9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.282 0.961 -6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.234 2.297 -6.689 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.673 2.310 -8.294 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.042 2.302 -6.581 1.00 0.00 H new ATOM 362 N PHE A 20 -1.534 -0.158 -7.514 1.00 0.00 N ATOM 363 CA PHE A 20 -0.094 -0.366 -7.422 1.00 0.00 C ATOM 364 C PHE A 20 0.490 -0.744 -8.778 1.00 0.00 C ATOM 365 O PHE A 20 1.559 -0.267 -9.160 1.00 0.00 O ATOM 366 CB PHE A 20 0.215 -1.459 -6.397 1.00 0.00 C ATOM 367 CG PHE A 20 1.674 -1.566 -6.056 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.233 -0.746 -5.089 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.484 -2.485 -6.702 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.575 -0.841 -4.774 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.827 -2.583 -6.391 1.00 0.00 C ATOM 372 CZ PHE A 20 4.373 -1.761 -5.425 1.00 0.00 C ATOM 0 H PHE A 20 -2.089 -0.798 -6.946 1.00 0.00 H new ATOM 0 HA PHE A 20 0.365 0.569 -7.099 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.349 -1.261 -5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.131 -2.417 -6.784 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.613 -0.025 -4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.062 -3.132 -7.457 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.000 -0.196 -4.019 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.449 -3.302 -6.903 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.422 -1.837 -5.179 1.00 0.00 H new ATOM 382 N ASN A 21 -0.218 -1.603 -9.504 1.00 0.00 N ATOM 383 CA ASN A 21 0.230 -2.046 -10.819 1.00 0.00 C ATOM 384 C ASN A 21 0.314 -0.875 -11.793 1.00 0.00 C ATOM 385 O ASN A 21 1.085 -0.908 -12.752 1.00 0.00 O ATOM 386 CB ASN A 21 -0.719 -3.113 -11.369 1.00 0.00 C ATOM 387 CG ASN A 21 -0.212 -4.521 -11.120 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.229 -4.849 -10.019 1.00 0.00 O ATOM 389 ND2 ASN A 21 -0.272 -5.360 -12.147 1.00 0.00 N ATOM 0 H ASN A 21 -1.105 -2.006 -9.203 1.00 0.00 H new ATOM 0 HA ASN A 21 1.227 -2.473 -10.709 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.700 -2.996 -10.908 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.850 -2.961 -12.440 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.055 -6.320 -12.041 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.646 -5.044 -13.042 1.00 0.00 H new ATOM 396 N GLU A 22 -0.484 0.159 -11.544 1.00 0.00 N ATOM 397 CA GLU A 22 -0.497 1.337 -12.403 1.00 0.00 C ATOM 398 C GLU A 22 0.630 2.296 -12.032 1.00 0.00 C ATOM 399 O GLU A 22 1.244 2.911 -12.904 1.00 0.00 O ATOM 400 CB GLU A 22 -1.845 2.052 -12.302 1.00 0.00 C ATOM 401 CG GLU A 22 -3.022 1.201 -12.753 1.00 0.00 C ATOM 402 CD GLU A 22 -4.359 1.860 -12.477 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.405 2.779 -11.632 1.00 0.00 O ATOM 404 OE2 GLU A 22 -5.360 1.458 -13.107 1.00 0.00 O ATOM 0 H GLU A 22 -1.129 0.205 -10.755 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.344 1.007 -13.431 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.006 2.361 -11.269 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.811 2.959 -12.905 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.933 1.002 -13.821 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.984 0.237 -12.245 1.00 0.00 H new ATOM 411 N ASN A 23 0.898 2.418 -10.736 1.00 0.00 N ATOM 412 CA ASN A 23 1.953 3.303 -10.258 1.00 0.00 C ATOM 413 C ASN A 23 2.414 2.904 -8.860 1.00 0.00 C ATOM 414 O ASN A 23 1.630 2.909 -7.911 1.00 0.00 O ATOM 415 CB ASN A 23 1.468 4.754 -10.253 1.00 0.00 C ATOM 416 CG ASN A 23 2.615 5.745 -10.259 1.00 0.00 C ATOM 417 OD1 ASN A 23 3.778 5.365 -10.393 1.00 0.00 O ATOM 418 ND2 ASN A 23 2.293 7.025 -10.112 1.00 0.00 N ATOM 0 H ASN A 23 0.401 1.917 -10.000 1.00 0.00 H new ATOM 0 HA ASN A 23 2.801 3.212 -10.937 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.837 4.927 -11.125 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.848 4.924 -9.373 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.023 7.737 -10.107 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.316 7.296 -10.004 1.00 0.00 H new ATOM 425 N ARG A 24 3.694 2.564 -8.741 1.00 0.00 N ATOM 426 CA ARG A 24 4.272 2.165 -7.459 1.00 0.00 C ATOM 427 C ARG A 24 4.451 3.362 -6.521 1.00 0.00 C ATOM 428 O ARG A 24 4.935 3.209 -5.399 1.00 0.00 O ATOM 429 CB ARG A 24 5.617 1.471 -7.684 1.00 0.00 C ATOM 430 CG ARG A 24 5.546 -0.044 -7.573 1.00 0.00 C ATOM 431 CD ARG A 24 6.121 -0.727 -8.803 1.00 0.00 C ATOM 432 NE ARG A 24 7.575 -0.854 -8.732 1.00 0.00 N ATOM 433 CZ ARG A 24 8.321 -1.391 -9.695 1.00 0.00 C ATOM 434 NH1 ARG A 24 7.756 -1.849 -10.805 1.00 0.00 N ATOM 435 NH2 ARG A 24 9.637 -1.470 -9.548 1.00 0.00 N ATOM 0 H ARG A 24 4.354 2.556 -9.519 1.00 0.00 H new ATOM 0 HA ARG A 24 3.579 1.471 -6.984 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.993 1.737 -8.672 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.337 1.847 -6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.092 -0.370 -6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.509 -0.351 -7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.676 -1.716 -8.909 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.850 -0.159 -9.693 1.00 0.00 H new ATOM 0 HE ARG A 24 8.046 -0.511 -7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.745 -1.791 -10.924 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.333 -2.259 -11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.077 -1.119 -8.697 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.209 -1.881 -10.286 1.00 0.00 H new ATOM 449 N TYR A 25 4.063 4.551 -6.980 1.00 0.00 N ATOM 450 CA TYR A 25 4.185 5.760 -6.178 1.00 0.00 C ATOM 451 C TYR A 25 2.812 6.346 -5.886 1.00 0.00 C ATOM 452 O TYR A 25 1.957 6.417 -6.768 1.00 0.00 O ATOM 453 CB TYR A 25 5.047 6.796 -6.902 1.00 0.00 C ATOM 454 CG TYR A 25 6.500 6.400 -7.026 1.00 0.00 C ATOM 455 CD1 TYR A 25 6.883 5.329 -7.823 1.00 0.00 C ATOM 456 CD2 TYR A 25 7.490 7.099 -6.347 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.211 4.965 -7.940 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.820 6.741 -6.458 1.00 0.00 C ATOM 459 CZ TYR A 25 9.175 5.674 -7.255 1.00 0.00 C ATOM 460 OH TYR A 25 10.499 5.316 -7.369 1.00 0.00 O ATOM 0 H TYR A 25 3.661 4.699 -7.906 1.00 0.00 H new ATOM 0 HA TYR A 25 4.664 5.497 -5.235 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.639 6.962 -7.899 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.983 7.745 -6.369 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.130 4.771 -8.360 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.216 7.936 -5.722 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.492 4.130 -8.564 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.578 7.294 -5.923 1.00 0.00 H new ATOM 0 HH TYR A 25 11.049 5.917 -6.824 1.00 0.00 H new ATOM 470 N LEU A 26 2.600 6.761 -4.644 1.00 0.00 N ATOM 471 CA LEU A 26 1.324 7.334 -4.247 1.00 0.00 C ATOM 472 C LEU A 26 1.383 8.855 -4.214 1.00 0.00 C ATOM 473 O LEU A 26 2.421 9.461 -4.481 1.00 0.00 O ATOM 474 CB LEU A 26 0.906 6.815 -2.871 1.00 0.00 C ATOM 475 CG LEU A 26 0.113 5.506 -2.859 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.423 5.242 -1.463 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.040 5.548 -3.848 1.00 0.00 C ATOM 0 H LEU A 26 3.293 6.711 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 26 0.587 7.030 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.804 6.678 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.308 7.583 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 26 0.786 4.702 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.987 4.309 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.409 5.166 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.076 6.061 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.583 4.603 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.714 6.363 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.651 5.708 -4.854 1.00 0.00 H new ATOM 489 N THR A 27 0.254 9.455 -3.870 1.00 0.00 N ATOM 490 CA THR A 27 0.137 10.902 -3.776 1.00 0.00 C ATOM 491 C THR A 27 -0.844 11.260 -2.670 1.00 0.00 C ATOM 492 O THR A 27 -1.566 10.397 -2.178 1.00 0.00 O ATOM 493 CB THR A 27 -0.347 11.487 -5.104 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.742 11.288 -5.258 1.00 0.00 O ATOM 495 CG2 THR A 27 0.340 10.885 -6.312 1.00 0.00 C ATOM 0 H THR A 27 -0.606 8.953 -3.648 1.00 0.00 H new ATOM 0 HA THR A 27 1.117 11.321 -3.547 1.00 0.00 H new ATOM 0 HB THR A 27 -0.100 12.548 -5.060 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.035 11.670 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.051 11.345 -7.220 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.413 11.064 -6.247 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.153 9.812 -6.340 1.00 0.00 H new ATOM 503 N GLU A 28 -0.880 12.527 -2.282 1.00 0.00 N ATOM 504 CA GLU A 28 -1.798 12.960 -1.236 1.00 0.00 C ATOM 505 C GLU A 28 -3.230 12.598 -1.613 1.00 0.00 C ATOM 506 O GLU A 28 -3.973 12.032 -0.812 1.00 0.00 O ATOM 507 CB GLU A 28 -1.680 14.468 -1.007 1.00 0.00 C ATOM 508 CG GLU A 28 -2.430 14.956 0.221 1.00 0.00 C ATOM 509 CD GLU A 28 -2.598 16.462 0.241 1.00 0.00 C ATOM 510 OE1 GLU A 28 -2.891 17.042 -0.826 1.00 0.00 O ATOM 511 OE2 GLU A 28 -2.438 17.063 1.324 1.00 0.00 O ATOM 0 H GLU A 28 -0.293 13.265 -2.669 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.534 12.448 -0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.627 14.731 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.058 14.991 -1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.412 14.484 0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.895 14.642 1.117 1.00 0.00 H new ATOM 518 N ARG A 29 -3.600 12.926 -2.845 1.00 0.00 N ATOM 519 CA ARG A 29 -4.935 12.636 -3.349 1.00 0.00 C ATOM 520 C ARG A 29 -5.230 11.138 -3.311 1.00 0.00 C ATOM 521 O ARG A 29 -6.303 10.725 -2.876 1.00 0.00 O ATOM 522 CB ARG A 29 -5.084 13.155 -4.780 1.00 0.00 C ATOM 523 CG ARG A 29 -5.417 14.636 -4.858 1.00 0.00 C ATOM 524 CD ARG A 29 -6.884 14.863 -5.188 1.00 0.00 C ATOM 525 NE ARG A 29 -7.085 16.067 -5.991 1.00 0.00 N ATOM 526 CZ ARG A 29 -8.247 16.708 -6.090 1.00 0.00 C ATOM 527 NH1 ARG A 29 -9.316 16.264 -5.441 1.00 0.00 N ATOM 528 NH2 ARG A 29 -8.341 17.796 -6.842 1.00 0.00 N ATOM 0 H ARG A 29 -2.991 13.395 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.652 13.142 -2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.157 12.970 -5.323 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.867 12.588 -5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.179 15.114 -3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.795 15.110 -5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.272 13.999 -5.727 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.455 14.945 -4.263 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.287 16.438 -6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.250 15.427 -4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.204 16.760 -5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.523 18.141 -7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.231 18.288 -6.918 1.00 0.00 H new ATOM 542 N ARG A 30 -4.282 10.332 -3.782 1.00 0.00 N ATOM 543 CA ARG A 30 -4.457 8.884 -3.815 1.00 0.00 C ATOM 544 C ARG A 30 -4.513 8.292 -2.411 1.00 0.00 C ATOM 545 O ARG A 30 -5.328 7.413 -2.133 1.00 0.00 O ATOM 546 CB ARG A 30 -3.321 8.238 -4.611 1.00 0.00 C ATOM 547 CG ARG A 30 -3.774 7.619 -5.924 1.00 0.00 C ATOM 548 CD ARG A 30 -2.634 7.543 -6.929 1.00 0.00 C ATOM 549 NE ARG A 30 -2.261 6.161 -7.226 1.00 0.00 N ATOM 550 CZ ARG A 30 -1.890 5.730 -8.432 1.00 0.00 C ATOM 551 NH1 ARG A 30 -1.818 6.570 -9.458 1.00 0.00 N ATOM 552 NH2 ARG A 30 -1.583 4.452 -8.611 1.00 0.00 N ATOM 0 H ARG A 30 -3.386 10.657 -4.145 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.409 8.674 -4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.559 8.990 -4.817 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.851 7.468 -3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.165 6.618 -5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.590 8.208 -6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.928 8.046 -7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.768 8.077 -6.537 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.286 5.484 -6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.048 7.555 -9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.533 6.230 -10.376 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.631 3.801 -7.827 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.299 4.120 -9.533 1.00 0.00 H new ATOM 566 N ARG A 31 -3.644 8.773 -1.531 1.00 0.00 N ATOM 567 CA ARG A 31 -3.600 8.283 -0.160 1.00 0.00 C ATOM 568 C ARG A 31 -4.932 8.523 0.542 1.00 0.00 C ATOM 569 O ARG A 31 -5.522 7.607 1.120 1.00 0.00 O ATOM 570 CB ARG A 31 -2.470 8.974 0.609 1.00 0.00 C ATOM 571 CG ARG A 31 -1.535 8.009 1.321 1.00 0.00 C ATOM 572 CD ARG A 31 -0.093 8.194 0.874 1.00 0.00 C ATOM 573 NE ARG A 31 0.586 9.246 1.628 1.00 0.00 N ATOM 574 CZ ARG A 31 0.846 9.175 2.931 1.00 0.00 C ATOM 575 NH1 ARG A 31 0.472 8.111 3.632 1.00 0.00 N ATOM 576 NH2 ARG A 31 1.477 10.171 3.538 1.00 0.00 N ATOM 0 H ARG A 31 -2.961 9.501 -1.742 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.411 7.210 -0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.890 9.583 -0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.904 9.653 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.605 8.162 2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.849 6.984 1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.447 7.255 0.996 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.072 8.438 -0.188 1.00 0.00 H new ATOM 0 HE ARG A 31 0.878 10.084 1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.017 7.343 3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.674 8.062 4.631 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.764 10.993 3.006 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.676 10.115 4.537 1.00 0.00 H new ATOM 590 N GLN A 32 -5.396 9.765 0.487 1.00 0.00 N ATOM 591 CA GLN A 32 -6.656 10.147 1.115 1.00 0.00 C ATOM 592 C GLN A 32 -7.838 9.432 0.466 1.00 0.00 C ATOM 593 O GLN A 32 -8.774 9.017 1.150 1.00 0.00 O ATOM 594 CB GLN A 32 -6.849 11.661 1.029 1.00 0.00 C ATOM 595 CG GLN A 32 -7.964 12.185 1.920 1.00 0.00 C ATOM 596 CD GLN A 32 -9.111 12.783 1.130 1.00 0.00 C ATOM 597 OE1 GLN A 32 -9.224 14.002 1.002 1.00 0.00 O ATOM 598 NE2 GLN A 32 -9.972 11.924 0.594 1.00 0.00 N ATOM 0 H GLN A 32 -4.916 10.529 0.011 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.614 9.848 2.162 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.916 12.154 1.302 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.063 11.933 -0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.340 11.372 2.540 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.560 12.940 2.595 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.840 10.921 0.725 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.764 12.268 0.052 1.00 0.00 H new ATOM 607 N GLN A 33 -7.793 9.292 -0.856 1.00 0.00 N ATOM 608 CA GLN A 33 -8.870 8.629 -1.584 1.00 0.00 C ATOM 609 C GLN A 33 -8.930 7.148 -1.232 1.00 0.00 C ATOM 610 O GLN A 33 -10.009 6.592 -1.046 1.00 0.00 O ATOM 611 CB GLN A 33 -8.690 8.798 -3.095 1.00 0.00 C ATOM 612 CG GLN A 33 -9.964 9.206 -3.815 1.00 0.00 C ATOM 613 CD GLN A 33 -9.708 10.196 -4.935 1.00 0.00 C ATOM 614 OE1 GLN A 33 -9.410 9.809 -6.065 1.00 0.00 O ATOM 615 NE2 GLN A 33 -9.825 11.482 -4.626 1.00 0.00 N ATOM 0 H GLN A 33 -7.028 9.626 -1.442 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.809 9.098 -1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.921 9.549 -3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.328 7.860 -3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.447 8.318 -4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.658 9.645 -3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.074 11.758 -3.676 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.666 12.194 -5.339 1.00 0.00 H new ATOM 624 N LEU A 34 -7.767 6.513 -1.136 1.00 0.00 N ATOM 625 CA LEU A 34 -7.702 5.096 -0.801 1.00 0.00 C ATOM 626 C LEU A 34 -8.264 4.850 0.597 1.00 0.00 C ATOM 627 O LEU A 34 -9.014 3.899 0.816 1.00 0.00 O ATOM 628 CB LEU A 34 -6.259 4.592 -0.884 1.00 0.00 C ATOM 629 CG LEU A 34 -6.044 3.396 -1.818 1.00 0.00 C ATOM 630 CD1 LEU A 34 -4.833 3.620 -2.711 1.00 0.00 C ATOM 631 CD2 LEU A 34 -5.885 2.114 -1.013 1.00 0.00 C ATOM 0 H LEU A 34 -6.860 6.955 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.307 4.546 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.622 5.412 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.928 4.316 0.117 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.923 3.297 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.699 2.759 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.987 4.514 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.944 3.748 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.733 1.275 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.024 2.205 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.783 1.943 -0.420 1.00 0.00 H new ATOM 643 N SER A 35 -7.896 5.715 1.536 1.00 0.00 N ATOM 644 CA SER A 35 -8.363 5.596 2.911 1.00 0.00 C ATOM 645 C SER A 35 -9.883 5.696 2.982 1.00 0.00 C ATOM 646 O SER A 35 -10.540 4.883 3.628 1.00 0.00 O ATOM 647 CB SER A 35 -7.729 6.684 3.782 1.00 0.00 C ATOM 648 OG SER A 35 -6.559 6.208 4.422 1.00 0.00 O ATOM 0 H SER A 35 -7.275 6.507 1.369 1.00 0.00 H new ATOM 0 HA SER A 35 -8.064 4.617 3.286 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.484 7.550 3.167 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.447 7.018 4.531 1.00 0.00 H new ATOM 0 HG SER A 35 -6.808 5.694 5.218 1.00 0.00 H new ATOM 654 N SER A 36 -10.429 6.710 2.323 1.00 0.00 N ATOM 655 CA SER A 36 -11.874 6.934 2.313 1.00 0.00 C ATOM 656 C SER A 36 -12.611 5.874 1.494 1.00 0.00 C ATOM 657 O SER A 36 -13.687 5.416 1.880 1.00 0.00 O ATOM 658 CB SER A 36 -12.187 8.325 1.757 1.00 0.00 C ATOM 659 OG SER A 36 -11.345 9.307 2.337 1.00 0.00 O ATOM 0 H SER A 36 -9.894 7.393 1.787 1.00 0.00 H new ATOM 0 HA SER A 36 -12.222 6.862 3.343 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.059 8.325 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.230 8.573 1.954 1.00 0.00 H new ATOM 0 HG SER A 36 -10.455 9.257 1.929 1.00 0.00 H new ATOM 665 N GLU A 37 -12.038 5.507 0.353 1.00 0.00 N ATOM 666 CA GLU A 37 -12.651 4.521 -0.538 1.00 0.00 C ATOM 667 C GLU A 37 -12.641 3.120 0.067 1.00 0.00 C ATOM 668 O GLU A 37 -13.680 2.466 0.153 1.00 0.00 O ATOM 669 CB GLU A 37 -11.925 4.507 -1.884 1.00 0.00 C ATOM 670 CG GLU A 37 -12.804 4.075 -3.047 1.00 0.00 C ATOM 671 CD GLU A 37 -12.978 5.169 -4.082 1.00 0.00 C ATOM 672 OE1 GLU A 37 -11.958 5.749 -4.510 1.00 0.00 O ATOM 673 OE2 GLU A 37 -14.135 5.447 -4.463 1.00 0.00 O ATOM 0 H GLU A 37 -11.148 5.877 0.020 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.691 4.814 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.534 5.504 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.069 3.836 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.367 3.197 -3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.782 3.779 -2.668 1.00 0.00 H new ATOM 680 N LEU A 38 -11.464 2.656 0.466 1.00 0.00 N ATOM 681 CA LEU A 38 -11.326 1.322 1.040 1.00 0.00 C ATOM 682 C LEU A 38 -11.618 1.320 2.540 1.00 0.00 C ATOM 683 O LEU A 38 -11.835 0.264 3.134 1.00 0.00 O ATOM 684 CB LEU A 38 -9.919 0.784 0.784 1.00 0.00 C ATOM 685 CG LEU A 38 -9.625 0.405 -0.669 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.235 -0.200 -0.791 1.00 0.00 C ATOM 687 CD2 LEU A 38 -10.679 -0.560 -1.195 1.00 0.00 C ATOM 0 H LEU A 38 -10.592 3.182 0.403 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.058 0.676 0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.196 1.536 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.762 -0.094 1.411 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.659 1.311 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.043 -0.464 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.492 0.525 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.172 -1.095 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.452 -0.818 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.679 -1.465 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.661 -0.089 -1.145 1.00 0.00 H new ATOM 699 N GLY A 39 -11.619 2.500 3.147 1.00 0.00 N ATOM 700 CA GLY A 39 -11.884 2.600 4.570 1.00 0.00 C ATOM 701 C GLY A 39 -10.703 2.157 5.411 1.00 0.00 C ATOM 702 O GLY A 39 -10.864 1.415 6.380 1.00 0.00 O ATOM 0 H GLY A 39 -11.441 3.389 2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.137 3.631 4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.753 1.990 4.819 1.00 0.00 H new ATOM 706 N LEU A 40 -9.511 2.613 5.039 1.00 0.00 N ATOM 707 CA LEU A 40 -8.296 2.260 5.765 1.00 0.00 C ATOM 708 C LEU A 40 -7.546 3.510 6.214 1.00 0.00 C ATOM 709 O LEU A 40 -7.881 4.625 5.814 1.00 0.00 O ATOM 710 CB LEU A 40 -7.385 1.397 4.888 1.00 0.00 C ATOM 711 CG LEU A 40 -7.918 -0.003 4.581 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.459 -0.455 3.204 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.464 -0.990 5.646 1.00 0.00 C ATOM 0 H LEU A 40 -9.361 3.228 4.239 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.585 1.693 6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.213 1.918 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.417 1.301 5.380 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.007 0.032 4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.847 -1.453 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.831 0.239 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.370 -0.475 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.852 -1.981 5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.375 -1.023 5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.839 -0.674 6.619 1.00 0.00 H new ATOM 725 N ASN A 41 -6.529 3.315 7.046 1.00 0.00 N ATOM 726 CA ASN A 41 -5.729 4.425 7.549 1.00 0.00 C ATOM 727 C ASN A 41 -4.656 4.819 6.540 1.00 0.00 C ATOM 728 O ASN A 41 -4.043 3.961 5.903 1.00 0.00 O ATOM 729 CB ASN A 41 -5.078 4.050 8.881 1.00 0.00 C ATOM 730 CG ASN A 41 -4.927 5.241 9.806 1.00 0.00 C ATOM 731 OD1 ASN A 41 -5.860 6.024 9.987 1.00 0.00 O ATOM 732 ND2 ASN A 41 -3.748 5.385 10.399 1.00 0.00 N ATOM 0 H ASN A 41 -6.239 2.398 7.386 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.391 5.277 7.704 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.679 3.285 9.373 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.097 3.613 8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.588 6.168 11.033 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.002 4.713 10.221 1.00 0.00 H new ATOM 739 N GLU A 42 -4.430 6.122 6.400 1.00 0.00 N ATOM 740 CA GLU A 42 -3.427 6.630 5.467 1.00 0.00 C ATOM 741 C GLU A 42 -2.081 5.945 5.687 1.00 0.00 C ATOM 742 O GLU A 42 -1.391 5.590 4.732 1.00 0.00 O ATOM 743 CB GLU A 42 -3.274 8.144 5.628 1.00 0.00 C ATOM 744 CG GLU A 42 -4.160 8.947 4.691 1.00 0.00 C ATOM 745 CD GLU A 42 -4.694 10.212 5.334 1.00 0.00 C ATOM 746 OE1 GLU A 42 -4.968 10.188 6.552 1.00 0.00 O ATOM 747 OE2 GLU A 42 -4.839 11.227 4.620 1.00 0.00 O ATOM 0 H GLU A 42 -4.927 6.845 6.920 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.764 6.410 4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.506 8.417 6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.233 8.416 5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.594 9.209 3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.996 8.327 4.368 1.00 0.00 H new ATOM 754 N ALA A 43 -1.720 5.760 6.952 1.00 0.00 N ATOM 755 CA ALA A 43 -0.461 5.115 7.301 1.00 0.00 C ATOM 756 C ALA A 43 -0.444 3.662 6.841 1.00 0.00 C ATOM 757 O ALA A 43 0.605 3.126 6.481 1.00 0.00 O ATOM 758 CB ALA A 43 -0.226 5.197 8.801 1.00 0.00 C ATOM 0 H ALA A 43 -2.282 6.048 7.753 1.00 0.00 H new ATOM 0 HA ALA A 43 0.344 5.641 6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.718 4.711 9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.187 6.243 9.107 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.040 4.696 9.325 1.00 0.00 H new ATOM 764 N GLN A 44 -1.612 3.027 6.856 1.00 0.00 N ATOM 765 CA GLN A 44 -1.724 1.634 6.443 1.00 0.00 C ATOM 766 C GLN A 44 -1.498 1.498 4.944 1.00 0.00 C ATOM 767 O GLN A 44 -0.768 0.614 4.495 1.00 0.00 O ATOM 768 CB GLN A 44 -3.099 1.075 6.819 1.00 0.00 C ATOM 769 CG GLN A 44 -3.265 0.818 8.308 1.00 0.00 C ATOM 770 CD GLN A 44 -4.411 -0.127 8.611 1.00 0.00 C ATOM 771 OE1 GLN A 44 -5.370 -0.226 7.845 1.00 0.00 O ATOM 772 NE2 GLN A 44 -4.318 -0.828 9.736 1.00 0.00 N ATOM 0 H GLN A 44 -2.491 3.454 7.149 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.956 1.062 6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.868 1.774 6.492 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.264 0.144 6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.340 0.401 8.707 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.435 1.765 8.820 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.505 -0.715 10.342 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.059 -1.479 9.994 1.00 0.00 H new ATOM 781 N ILE A 45 -2.115 2.384 4.172 1.00 0.00 N ATOM 782 CA ILE A 45 -1.961 2.363 2.724 1.00 0.00 C ATOM 783 C ILE A 45 -0.524 2.695 2.340 1.00 0.00 C ATOM 784 O ILE A 45 0.051 2.072 1.448 1.00 0.00 O ATOM 785 CB ILE A 45 -2.914 3.363 2.038 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.350 3.144 2.516 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.827 3.226 0.525 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.084 4.429 2.830 1.00 0.00 C ATOM 0 H ILE A 45 -2.724 3.123 4.523 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.211 1.358 2.384 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.611 4.374 2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.900 2.598 1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.336 2.516 3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.505 3.938 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.807 3.428 0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.107 2.213 0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.096 4.198 3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.556 4.966 3.618 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.129 5.050 1.935 1.00 0.00 H new ATOM 800 N LYS A 46 0.050 3.676 3.029 1.00 0.00 N ATOM 801 CA LYS A 46 1.425 4.090 2.772 1.00 0.00 C ATOM 802 C LYS A 46 2.388 2.925 2.966 1.00 0.00 C ATOM 803 O LYS A 46 3.272 2.692 2.142 1.00 0.00 O ATOM 804 CB LYS A 46 1.816 5.243 3.697 1.00 0.00 C ATOM 805 CG LYS A 46 2.873 6.163 3.110 1.00 0.00 C ATOM 806 CD LYS A 46 4.271 5.768 3.562 1.00 0.00 C ATOM 807 CE LYS A 46 4.826 6.750 4.583 1.00 0.00 C ATOM 808 NZ LYS A 46 5.827 7.672 3.979 1.00 0.00 N ATOM 0 H LYS A 46 -0.416 4.199 3.770 1.00 0.00 H new ATOM 0 HA LYS A 46 1.488 4.425 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.926 5.828 3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.184 4.834 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.819 6.132 2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.669 7.191 3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.246 4.768 3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.935 5.725 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.008 7.331 5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.288 6.199 5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.181 8.325 4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.620 7.120 3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.380 8.216 3.214 1.00 0.00 H new ATOM 822 N ILE A 47 2.211 2.195 4.064 1.00 0.00 N ATOM 823 CA ILE A 47 3.068 1.055 4.365 1.00 0.00 C ATOM 824 C ILE A 47 2.858 -0.067 3.354 1.00 0.00 C ATOM 825 O ILE A 47 3.814 -0.704 2.917 1.00 0.00 O ATOM 826 CB ILE A 47 2.813 0.512 5.787 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.066 1.605 6.825 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.696 -0.698 6.065 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.355 1.366 8.140 1.00 0.00 C ATOM 0 H ILE A 47 1.484 2.373 4.757 1.00 0.00 H new ATOM 0 HA ILE A 47 4.097 1.408 4.305 1.00 0.00 H new ATOM 0 HB ILE A 47 1.771 0.200 5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.138 1.679 7.009 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.746 2.564 6.417 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.502 -1.066 7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.475 -1.483 5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.744 -0.411 5.980 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.580 2.181 8.828 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.279 1.322 7.969 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.693 0.423 8.570 1.00 0.00 H new ATOM 841 N TRP A 48 1.603 -0.302 2.984 1.00 0.00 N ATOM 842 CA TRP A 48 1.278 -1.352 2.025 1.00 0.00 C ATOM 843 C TRP A 48 1.957 -1.092 0.687 1.00 0.00 C ATOM 844 O TRP A 48 2.532 -2.000 0.086 1.00 0.00 O ATOM 845 CB TRP A 48 -0.237 -1.448 1.831 1.00 0.00 C ATOM 846 CG TRP A 48 -0.643 -2.509 0.853 1.00 0.00 C ATOM 847 CD1 TRP A 48 -1.098 -3.763 1.145 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.626 -2.411 -0.576 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.365 -4.450 -0.014 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.082 -3.642 -1.084 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.269 -1.401 -1.477 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.191 -3.890 -2.451 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.378 -1.649 -2.832 1.00 0.00 C ATOM 854 CH2 TRP A 48 -0.835 -2.884 -3.308 1.00 0.00 C ATOM 0 H TRP A 48 0.797 0.218 3.332 1.00 0.00 H new ATOM 0 HA TRP A 48 1.645 -2.298 2.423 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.707 -1.651 2.793 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.614 -0.484 1.489 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.229 -4.157 2.142 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.717 -5.406 -0.069 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.085 -0.445 -1.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.544 -4.842 -2.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.106 -0.877 -3.536 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.908 -3.046 -4.373 1.00 0.00 H new ATOM 865 N PHE A 49 1.894 0.152 0.225 1.00 0.00 N ATOM 866 CA PHE A 49 2.510 0.523 -1.041 1.00 0.00 C ATOM 867 C PHE A 49 4.024 0.355 -0.970 1.00 0.00 C ATOM 868 O PHE A 49 4.636 -0.240 -1.858 1.00 0.00 O ATOM 869 CB PHE A 49 2.155 1.967 -1.405 1.00 0.00 C ATOM 870 CG PHE A 49 1.129 2.072 -2.496 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.219 1.907 -2.217 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.511 2.333 -3.802 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.165 2.002 -3.220 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.570 2.427 -4.809 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.770 2.262 -4.518 1.00 0.00 C ATOM 0 H PHE A 49 1.424 0.918 0.708 1.00 0.00 H new ATOM 0 HA PHE A 49 2.124 -0.138 -1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.783 2.477 -0.516 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.060 2.488 -1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.533 1.702 -1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.557 2.465 -4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.212 1.873 -2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.882 2.629 -5.823 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.507 2.336 -5.304 1.00 0.00 H new ATOM 885 N GLN A 50 4.622 0.882 0.093 1.00 0.00 N ATOM 886 CA GLN A 50 6.065 0.788 0.283 1.00 0.00 C ATOM 887 C GLN A 50 6.506 -0.664 0.434 1.00 0.00 C ATOM 888 O GLN A 50 7.524 -1.073 -0.126 1.00 0.00 O ATOM 889 CB GLN A 50 6.496 1.596 1.509 1.00 0.00 C ATOM 890 CG GLN A 50 7.878 2.212 1.374 1.00 0.00 C ATOM 891 CD GLN A 50 8.175 3.227 2.462 1.00 0.00 C ATOM 892 OE1 GLN A 50 8.025 4.432 2.259 1.00 0.00 O ATOM 893 NE2 GLN A 50 8.600 2.743 3.622 1.00 0.00 N ATOM 0 H GLN A 50 4.130 1.378 0.836 1.00 0.00 H new ATOM 0 HA GLN A 50 6.547 1.202 -0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.769 2.389 1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.480 0.948 2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.628 1.422 1.405 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.963 2.694 0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.710 1.736 3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.817 3.378 4.391 1.00 0.00 H new ATOM 902 N ASN A 51 5.738 -1.442 1.194 1.00 0.00 N ATOM 903 CA ASN A 51 6.060 -2.848 1.413 1.00 0.00 C ATOM 904 C ASN A 51 5.930 -3.643 0.119 1.00 0.00 C ATOM 905 O ASN A 51 6.715 -4.552 -0.143 1.00 0.00 O ATOM 906 CB ASN A 51 5.150 -3.450 2.488 1.00 0.00 C ATOM 907 CG ASN A 51 5.926 -3.945 3.693 1.00 0.00 C ATOM 908 OD1 ASN A 51 5.837 -5.114 4.066 1.00 0.00 O ATOM 909 ND2 ASN A 51 6.695 -3.054 4.309 1.00 0.00 N ATOM 0 H ASN A 51 4.892 -1.123 1.666 1.00 0.00 H new ATOM 0 HA ASN A 51 7.094 -2.904 1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.426 -2.701 2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.584 -4.277 2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.241 -3.329 5.125 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.739 -2.094 3.966 1.00 0.00 H new ATOM 916 N LYS A 52 4.933 -3.294 -0.688 1.00 0.00 N ATOM 917 CA LYS A 52 4.704 -3.980 -1.953 1.00 0.00 C ATOM 918 C LYS A 52 5.856 -3.728 -2.919 1.00 0.00 C ATOM 919 O LYS A 52 6.246 -4.615 -3.676 1.00 0.00 O ATOM 920 CB LYS A 52 3.382 -3.525 -2.576 1.00 0.00 C ATOM 921 CG LYS A 52 2.347 -4.633 -2.674 1.00 0.00 C ATOM 922 CD LYS A 52 1.666 -4.646 -4.034 1.00 0.00 C ATOM 923 CE LYS A 52 2.236 -5.734 -4.931 1.00 0.00 C ATOM 924 NZ LYS A 52 1.776 -7.090 -4.521 1.00 0.00 N ATOM 0 H LYS A 52 4.273 -2.542 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 52 4.648 -5.050 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.972 -2.707 -1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.576 -3.130 -3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.826 -5.596 -2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.598 -4.502 -1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.595 -4.803 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.790 -3.675 -4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.939 -5.546 -5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.325 -5.696 -4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.490 -7.796 -4.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.640 -7.114 -3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.876 -7.309 -4.994 1.00 0.00 H new ATOM 938 N ARG A 53 6.400 -2.515 -2.883 1.00 0.00 N ATOM 939 CA ARG A 53 7.513 -2.152 -3.753 1.00 0.00 C ATOM 940 C ARG A 53 8.762 -2.945 -3.387 1.00 0.00 C ATOM 941 O ARG A 53 9.501 -3.398 -4.261 1.00 0.00 O ATOM 942 CB ARG A 53 7.799 -0.652 -3.654 1.00 0.00 C ATOM 943 CG ARG A 53 8.594 -0.104 -4.827 1.00 0.00 C ATOM 944 CD ARG A 53 8.515 1.413 -4.896 1.00 0.00 C ATOM 945 NE ARG A 53 9.715 2.000 -5.489 1.00 0.00 N ATOM 946 CZ ARG A 53 10.780 2.389 -4.788 1.00 0.00 C ATOM 947 NH1 ARG A 53 10.803 2.258 -3.466 1.00 0.00 N ATOM 948 NH2 ARG A 53 11.826 2.911 -5.412 1.00 0.00 N ATOM 0 H ARG A 53 6.089 -1.768 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 53 7.236 -2.392 -4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.853 -0.114 -3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.346 -0.455 -2.732 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.636 -0.411 -4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.215 -0.531 -5.755 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.643 1.704 -5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.374 1.814 -3.892 1.00 0.00 H new ATOM 0 HE ARG A 53 9.739 2.119 -6.502 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.001 1.857 -2.979 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.622 2.558 -2.938 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.815 3.014 -6.427 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.642 3.209 -4.878 1.00 0.00 H new