USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 386 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 51 LYS NZ :NH3+ 174:sc= 0.0287 (180deg=0) USER MOD Set 1.2: A 55 GLN : amide:sc= 0.0271 K(o=0.056,f=-0.94) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.1!) USER MOD Single : A 19 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.57) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.33) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.405 USER MOD Single : A 34 GLN : amide:sc= -0.0344 X(o=-0.034,f=-0.034) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 38 SER OG : rot 60:sc= 0.447 USER MOD Single : A 41 GLN : amide:sc= -0.0906 X(o=-0.091,f=-0.091) USER MOD Single : A 46 ASN : amide:sc= -0.0601 X(o=-0.06,f=-0.011) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0458 X(o=-0.046,f=-0.0056) USER MOD Single : A 56 ASN : amide:sc=-0.000368 K(o=-0.00037,f=-1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 182 N PHE A 13 9.198 -1.210 -5.770 1.00 0.00 N ATOM 183 CA PHE A 13 8.865 0.147 -5.404 1.00 0.00 C ATOM 184 C PHE A 13 10.155 0.888 -5.199 1.00 0.00 C ATOM 185 O PHE A 13 11.233 0.294 -5.217 1.00 0.00 O ATOM 186 CB PHE A 13 8.049 0.215 -4.087 1.00 0.00 C ATOM 187 CG PHE A 13 6.658 -0.375 -4.181 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.040 -0.796 -5.379 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.929 -0.488 -2.985 1.00 0.00 C ATOM 190 CE1 PHE A 13 4.758 -1.353 -5.364 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.641 -1.030 -2.977 1.00 0.00 C ATOM 192 CZ PHE A 13 4.053 -1.465 -4.164 1.00 0.00 C ATOM 0 HA PHE A 13 8.256 0.582 -6.196 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.600 -0.308 -3.305 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.968 1.257 -3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.564 -0.686 -6.317 1.00 0.00 H new ATOM 0 HD2 PHE A 13 6.370 -0.151 -2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.311 -1.698 -6.285 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.098 -1.112 -2.047 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.058 -1.886 -4.155 1.00 0.00 H new ATOM 202 N THR A 14 10.055 2.225 -4.999 1.00 0.00 N ATOM 203 CA THR A 14 11.181 3.079 -4.694 1.00 0.00 C ATOM 204 C THR A 14 11.083 3.385 -3.223 1.00 0.00 C ATOM 205 O THR A 14 10.186 2.897 -2.542 1.00 0.00 O ATOM 206 CB THR A 14 11.250 4.351 -5.535 1.00 0.00 C ATOM 207 OG1 THR A 14 10.081 5.153 -5.406 1.00 0.00 O ATOM 208 CG2 THR A 14 11.433 3.951 -7.015 1.00 0.00 C ATOM 0 H THR A 14 9.169 2.727 -5.050 1.00 0.00 H new ATOM 0 HA THR A 14 12.107 2.562 -4.943 1.00 0.00 H new ATOM 0 HB THR A 14 12.091 4.946 -5.179 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.172 5.956 -5.960 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.484 4.849 -7.631 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.356 3.381 -7.127 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.588 3.340 -7.334 1.00 0.00 H new ATOM 216 N ALA A 15 12.022 4.206 -2.701 1.00 0.00 N ATOM 217 CA ALA A 15 12.119 4.538 -1.299 1.00 0.00 C ATOM 218 C ALA A 15 10.993 5.435 -0.863 1.00 0.00 C ATOM 219 O ALA A 15 10.554 5.369 0.283 1.00 0.00 O ATOM 220 CB ALA A 15 13.438 5.268 -0.984 1.00 0.00 C ATOM 0 H ALA A 15 12.739 4.655 -3.271 1.00 0.00 H new ATOM 0 HA ALA A 15 12.073 3.591 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.479 5.503 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.280 4.627 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.490 6.191 -1.562 1.00 0.00 H new ATOM 226 N GLU A 16 10.499 6.289 -1.789 1.00 0.00 N ATOM 227 CA GLU A 16 9.472 7.267 -1.544 1.00 0.00 C ATOM 228 C GLU A 16 8.116 6.620 -1.517 1.00 0.00 C ATOM 229 O GLU A 16 7.211 7.087 -0.826 1.00 0.00 O ATOM 230 CB GLU A 16 9.470 8.339 -2.656 1.00 0.00 C ATOM 231 CG GLU A 16 10.810 9.085 -2.813 1.00 0.00 C ATOM 232 CD GLU A 16 11.180 9.794 -1.510 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.411 10.699 -1.086 1.00 0.00 O ATOM 234 OE2 GLU A 16 12.239 9.443 -0.922 1.00 0.00 O ATOM 0 H GLU A 16 10.831 6.298 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 16 9.682 7.727 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.218 7.863 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.685 9.065 -2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.596 8.381 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.736 9.812 -3.622 1.00 0.00 H new ATOM 241 N GLN A 17 7.960 5.514 -2.278 1.00 0.00 N ATOM 242 CA GLN A 17 6.719 4.791 -2.401 1.00 0.00 C ATOM 243 C GLN A 17 6.516 3.926 -1.191 1.00 0.00 C ATOM 244 O GLN A 17 5.433 3.916 -0.611 1.00 0.00 O ATOM 245 CB GLN A 17 6.659 3.940 -3.688 1.00 0.00 C ATOM 246 CG GLN A 17 6.634 4.822 -4.949 1.00 0.00 C ATOM 247 CD GLN A 17 6.446 3.952 -6.198 1.00 0.00 C ATOM 248 OE1 GLN A 17 7.178 2.977 -6.403 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.442 4.326 -7.049 1.00 0.00 N ATOM 0 H GLN A 17 8.719 5.109 -2.825 1.00 0.00 H new ATOM 0 HA GLN A 17 5.915 5.524 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.522 3.275 -3.726 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.770 3.309 -3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.825 5.549 -4.878 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.563 5.386 -5.026 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.866 5.140 -6.832 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.269 3.791 -7.900 1.00 0.00 H new ATOM 258 N LEU A 18 7.588 3.221 -0.754 1.00 0.00 N ATOM 259 CA LEU A 18 7.631 2.412 0.439 1.00 0.00 C ATOM 260 C LEU A 18 7.301 3.214 1.670 1.00 0.00 C ATOM 261 O LEU A 18 6.495 2.769 2.479 1.00 0.00 O ATOM 262 CB LEU A 18 9.033 1.790 0.639 1.00 0.00 C ATOM 263 CG LEU A 18 9.370 0.653 -0.356 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.879 0.343 -0.355 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.547 -0.620 -0.093 1.00 0.00 C ATOM 0 H LEU A 18 8.473 3.216 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 18 6.886 1.628 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.783 2.575 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.104 1.402 1.655 1.00 0.00 H new ATOM 0 HG LEU A 18 9.094 1.011 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.086 -0.459 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.434 1.235 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.186 0.034 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.821 -1.387 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.751 -0.983 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.485 -0.393 -0.189 1.00 0.00 H new ATOM 277 N GLN A 19 7.899 4.424 1.814 1.00 0.00 N ATOM 278 CA GLN A 19 7.774 5.323 2.948 1.00 0.00 C ATOM 279 C GLN A 19 6.344 5.606 3.323 1.00 0.00 C ATOM 280 O GLN A 19 5.952 5.455 4.479 1.00 0.00 O ATOM 281 CB GLN A 19 8.525 6.651 2.660 1.00 0.00 C ATOM 282 CG GLN A 19 8.479 7.736 3.758 1.00 0.00 C ATOM 283 CD GLN A 19 7.238 8.633 3.606 1.00 0.00 C ATOM 284 OE1 GLN A 19 7.031 9.239 2.548 1.00 0.00 O ATOM 285 NE2 GLN A 19 6.406 8.709 4.689 1.00 0.00 N ATOM 0 H GLN A 19 8.512 4.803 1.092 1.00 0.00 H new ATOM 0 HA GLN A 19 8.227 4.818 3.801 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.570 6.413 2.463 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.117 7.079 1.744 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.470 7.263 4.740 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.380 8.347 3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.625 8.188 5.538 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.567 9.287 4.648 1.00 0.00 H new ATOM 294 N ARG A 20 5.542 6.006 2.315 1.00 0.00 N ATOM 295 CA ARG A 20 4.145 6.367 2.414 1.00 0.00 C ATOM 296 C ARG A 20 3.310 5.208 2.896 1.00 0.00 C ATOM 297 O ARG A 20 2.473 5.369 3.783 1.00 0.00 O ATOM 298 CB ARG A 20 3.637 6.850 1.032 1.00 0.00 C ATOM 299 CG ARG A 20 2.197 7.403 0.953 1.00 0.00 C ATOM 300 CD ARG A 20 1.114 6.347 0.669 1.00 0.00 C ATOM 301 NE ARG A 20 -0.179 7.026 0.317 1.00 0.00 N ATOM 302 CZ ARG A 20 -1.104 7.423 1.245 1.00 0.00 C ATOM 303 NH1 ARG A 20 -0.898 7.227 2.580 1.00 0.00 N ATOM 304 NH2 ARG A 20 -2.256 8.023 0.823 1.00 0.00 N ATOM 0 H ARG A 20 5.890 6.085 1.359 1.00 0.00 H new ATOM 0 HA ARG A 20 4.049 7.171 3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.315 7.626 0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.715 6.016 0.335 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.962 7.900 1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.157 8.163 0.172 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.430 5.700 -0.149 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.975 5.711 1.543 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.379 7.201 -0.668 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.042 6.777 2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.600 7.531 3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.419 8.170 -0.173 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.953 8.324 1.504 1.00 0.00 H new ATOM 318 N LEU A 21 3.537 4.007 2.316 1.00 0.00 N ATOM 319 CA LEU A 21 2.733 2.837 2.574 1.00 0.00 C ATOM 320 C LEU A 21 3.021 2.214 3.906 1.00 0.00 C ATOM 321 O LEU A 21 2.141 1.588 4.481 1.00 0.00 O ATOM 322 CB LEU A 21 2.952 1.732 1.526 1.00 0.00 C ATOM 323 CG LEU A 21 2.653 2.184 0.086 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.160 1.140 -0.915 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.164 2.503 -0.149 1.00 0.00 C ATOM 0 H LEU A 21 4.295 3.843 1.653 1.00 0.00 H new ATOM 0 HA LEU A 21 1.709 3.208 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.985 1.387 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.318 0.880 1.770 1.00 0.00 H new ATOM 0 HG LEU A 21 3.190 3.119 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.942 1.473 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.237 1.016 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.663 0.188 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.018 2.816 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.566 1.614 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.854 3.305 0.520 1.00 0.00 H new ATOM 337 N LYS A 22 4.257 2.360 4.432 1.00 0.00 N ATOM 338 CA LYS A 22 4.679 1.767 5.681 1.00 0.00 C ATOM 339 C LYS A 22 4.223 2.621 6.827 1.00 0.00 C ATOM 340 O LYS A 22 4.067 2.134 7.947 1.00 0.00 O ATOM 341 CB LYS A 22 6.213 1.615 5.742 1.00 0.00 C ATOM 342 CG LYS A 22 6.703 0.534 4.767 1.00 0.00 C ATOM 343 CD LYS A 22 8.173 0.670 4.352 1.00 0.00 C ATOM 344 CE LYS A 22 9.171 0.381 5.476 1.00 0.00 C ATOM 345 NZ LYS A 22 10.563 0.505 4.986 1.00 0.00 N ATOM 0 H LYS A 22 4.989 2.907 3.978 1.00 0.00 H new ATOM 0 HA LYS A 22 4.231 0.776 5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.685 2.567 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.516 1.357 6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.557 -0.444 5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.082 0.562 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.369 -0.010 3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.342 1.681 3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.008 1.074 6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.006 -0.623 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.224 0.305 5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.721 -0.174 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.723 1.471 4.636 1.00 0.00 H new ATOM 359 N ALA A 23 3.962 3.919 6.549 1.00 0.00 N ATOM 360 CA ALA A 23 3.434 4.857 7.503 1.00 0.00 C ATOM 361 C ALA A 23 1.975 4.585 7.740 1.00 0.00 C ATOM 362 O ALA A 23 1.505 4.717 8.868 1.00 0.00 O ATOM 363 CB ALA A 23 3.559 6.312 7.023 1.00 0.00 C ATOM 0 H ALA A 23 4.124 4.329 5.629 1.00 0.00 H new ATOM 0 HA ALA A 23 4.017 4.731 8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.146 6.981 7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.610 6.552 6.860 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.010 6.436 6.090 1.00 0.00 H new ATOM 369 N GLU A 24 1.226 4.190 6.676 1.00 0.00 N ATOM 370 CA GLU A 24 -0.182 3.888 6.802 1.00 0.00 C ATOM 371 C GLU A 24 -0.394 2.422 7.092 1.00 0.00 C ATOM 372 O GLU A 24 -1.506 2.037 7.448 1.00 0.00 O ATOM 373 CB GLU A 24 -1.047 4.389 5.614 1.00 0.00 C ATOM 374 CG GLU A 24 -0.743 3.819 4.214 1.00 0.00 C ATOM 375 CD GLU A 24 -1.312 2.414 4.026 1.00 0.00 C ATOM 376 OE1 GLU A 24 -2.521 2.218 4.327 1.00 0.00 O ATOM 377 OE2 GLU A 24 -0.553 1.523 3.565 1.00 0.00 O ATOM 0 H GLU A 24 1.595 4.080 5.732 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.541 4.459 7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.090 4.173 5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.950 5.473 5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.159 4.482 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.336 3.796 4.060 1.00 0.00 H new ATOM 384 N PHE A 25 0.672 1.573 7.008 1.00 0.00 N ATOM 385 CA PHE A 25 0.625 0.182 7.422 1.00 0.00 C ATOM 386 C PHE A 25 1.029 0.068 8.878 1.00 0.00 C ATOM 387 O PHE A 25 1.431 -0.982 9.377 1.00 0.00 O ATOM 388 CB PHE A 25 1.532 -0.724 6.543 1.00 0.00 C ATOM 389 CG PHE A 25 1.290 -2.192 6.781 1.00 0.00 C ATOM 390 CD1 PHE A 25 -0.020 -2.687 6.784 1.00 0.00 C ATOM 391 CD2 PHE A 25 2.349 -3.063 7.080 1.00 0.00 C ATOM 392 CE1 PHE A 25 -0.270 -4.044 7.015 1.00 0.00 C ATOM 393 CE2 PHE A 25 2.099 -4.413 7.362 1.00 0.00 C ATOM 394 CZ PHE A 25 0.791 -4.909 7.312 1.00 0.00 C ATOM 0 H PHE A 25 1.582 1.859 6.646 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.400 -0.166 7.294 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.356 -0.496 5.492 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.577 -0.494 6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.846 -2.014 6.606 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.363 -2.691 7.093 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.280 -4.424 6.964 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.916 -5.071 7.618 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.601 -5.955 7.502 1.00 0.00 H new ATOM 404 N GLN A 26 0.878 1.182 9.601 1.00 0.00 N ATOM 405 CA GLN A 26 1.063 1.284 11.019 1.00 0.00 C ATOM 406 C GLN A 26 -0.267 0.985 11.643 1.00 0.00 C ATOM 407 O GLN A 26 -0.392 0.068 12.455 1.00 0.00 O ATOM 408 CB GLN A 26 1.535 2.701 11.423 1.00 0.00 C ATOM 409 CG GLN A 26 1.708 2.931 12.934 1.00 0.00 C ATOM 410 CD GLN A 26 2.776 1.984 13.495 1.00 0.00 C ATOM 411 OE1 GLN A 26 3.944 2.049 13.095 1.00 0.00 O ATOM 412 NE2 GLN A 26 2.356 1.092 14.444 1.00 0.00 N ATOM 0 H GLN A 26 0.610 2.070 9.176 1.00 0.00 H new ATOM 0 HA GLN A 26 1.831 0.587 11.356 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.486 2.903 10.930 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.817 3.427 11.042 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.995 3.966 13.121 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.760 2.765 13.445 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.379 1.082 14.738 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.020 0.437 14.858 1.00 0.00 H new ATOM 421 N THR A 27 -1.300 1.767 11.249 1.00 0.00 N ATOM 422 CA THR A 27 -2.632 1.680 11.790 1.00 0.00 C ATOM 423 C THR A 27 -3.411 0.711 10.954 1.00 0.00 C ATOM 424 O THR A 27 -3.858 -0.331 11.432 1.00 0.00 O ATOM 425 CB THR A 27 -3.323 3.038 11.819 1.00 0.00 C ATOM 426 OG1 THR A 27 -2.543 3.953 12.581 1.00 0.00 O ATOM 427 CG2 THR A 27 -4.727 2.925 12.453 1.00 0.00 C ATOM 0 H THR A 27 -1.204 2.484 10.530 1.00 0.00 H new ATOM 0 HA THR A 27 -2.577 1.336 12.823 1.00 0.00 H new ATOM 0 HB THR A 27 -3.425 3.394 10.794 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.987 4.826 12.598 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.202 3.906 12.463 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.335 2.234 11.869 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.636 2.555 13.474 1.00 0.00 H new ATOM 435 N ASN A 28 -3.597 1.072 9.673 1.00 0.00 N ATOM 436 CA ASN A 28 -4.540 0.467 8.781 1.00 0.00 C ATOM 437 C ASN A 28 -3.935 -0.725 8.101 1.00 0.00 C ATOM 438 O ASN A 28 -3.004 -0.602 7.308 1.00 0.00 O ATOM 439 CB ASN A 28 -4.990 1.465 7.690 1.00 0.00 C ATOM 440 CG ASN A 28 -5.669 2.682 8.335 1.00 0.00 C ATOM 441 OD1 ASN A 28 -5.111 3.785 8.337 1.00 0.00 O ATOM 442 ND2 ASN A 28 -6.899 2.459 8.890 1.00 0.00 N ATOM 0 H ASN A 28 -3.064 1.824 9.236 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.399 0.162 9.379 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.129 1.787 7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.680 0.977 7.002 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.404 3.225 9.335 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.311 1.527 8.859 1.00 0.00 H new ATOM 449 N ARG A 29 -4.497 -1.918 8.401 1.00 0.00 N ATOM 450 CA ARG A 29 -4.205 -3.145 7.709 1.00 0.00 C ATOM 451 C ARG A 29 -5.265 -3.314 6.669 1.00 0.00 C ATOM 452 O ARG A 29 -4.971 -3.584 5.505 1.00 0.00 O ATOM 453 CB ARG A 29 -4.305 -4.402 8.600 1.00 0.00 C ATOM 454 CG ARG A 29 -3.101 -4.577 9.541 1.00 0.00 C ATOM 455 CD ARG A 29 -3.173 -5.839 10.411 1.00 0.00 C ATOM 456 NE ARG A 29 -4.301 -5.700 11.390 1.00 0.00 N ATOM 457 CZ ARG A 29 -4.573 -6.654 12.332 1.00 0.00 C ATOM 458 NH1 ARG A 29 -3.853 -7.812 12.390 1.00 0.00 N ATOM 459 NH2 ARG A 29 -5.580 -6.443 13.230 1.00 0.00 N ATOM 0 H ARG A 29 -5.178 -2.032 9.151 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.186 -3.067 7.331 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.217 -4.346 9.194 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.392 -5.283 7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.188 -4.609 8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.029 -3.704 10.189 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.325 -6.718 9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.232 -5.984 10.941 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.886 -4.865 11.352 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.098 -7.977 11.724 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.070 -8.512 13.099 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.122 -5.580 13.195 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.790 -7.149 13.936 1.00 0.00 H new ATOM 473 N TYR A 30 -6.538 -3.193 7.109 1.00 0.00 N ATOM 474 CA TYR A 30 -7.697 -3.558 6.354 1.00 0.00 C ATOM 475 C TYR A 30 -8.046 -2.438 5.426 1.00 0.00 C ATOM 476 O TYR A 30 -8.787 -1.518 5.770 1.00 0.00 O ATOM 477 CB TYR A 30 -8.901 -3.848 7.278 1.00 0.00 C ATOM 478 CG TYR A 30 -8.550 -4.964 8.228 1.00 0.00 C ATOM 479 CD1 TYR A 30 -8.438 -6.285 7.762 1.00 0.00 C ATOM 480 CD2 TYR A 30 -8.291 -4.696 9.584 1.00 0.00 C ATOM 481 CE1 TYR A 30 -8.067 -7.319 8.632 1.00 0.00 C ATOM 482 CE2 TYR A 30 -7.920 -5.727 10.457 1.00 0.00 C ATOM 483 CZ TYR A 30 -7.806 -7.041 9.981 1.00 0.00 C ATOM 484 OH TYR A 30 -7.429 -8.082 10.858 1.00 0.00 O ATOM 0 H TYR A 30 -6.764 -2.824 8.033 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.472 -4.465 5.793 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.168 -2.951 7.837 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.772 -4.124 6.683 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.640 -6.505 6.724 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.379 -3.686 9.956 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.982 -8.330 8.263 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.722 -5.510 11.496 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.285 -7.717 11.756 1.00 0.00 H new ATOM 494 N LEU A 31 -7.492 -2.526 4.199 1.00 0.00 N ATOM 495 CA LEU A 31 -7.783 -1.611 3.127 1.00 0.00 C ATOM 496 C LEU A 31 -9.021 -2.087 2.432 1.00 0.00 C ATOM 497 O LEU A 31 -9.383 -3.263 2.481 1.00 0.00 O ATOM 498 CB LEU A 31 -6.684 -1.508 2.043 1.00 0.00 C ATOM 499 CG LEU A 31 -5.308 -1.004 2.527 1.00 0.00 C ATOM 500 CD1 LEU A 31 -4.347 -0.916 1.328 1.00 0.00 C ATOM 501 CD2 LEU A 31 -5.367 0.351 3.258 1.00 0.00 C ATOM 0 H LEU A 31 -6.823 -3.252 3.943 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.878 -0.630 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.552 -2.492 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.038 -0.842 1.256 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.946 -1.726 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.374 -0.560 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.236 -1.902 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.750 -0.223 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.363 0.641 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.772 1.109 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.007 0.263 4.136 1.00 0.00 H new ATOM 513 N THR A 32 -9.690 -1.129 1.764 1.00 0.00 N ATOM 514 CA THR A 32 -10.871 -1.342 0.971 1.00 0.00 C ATOM 515 C THR A 32 -10.444 -1.224 -0.461 1.00 0.00 C ATOM 516 O THR A 32 -9.263 -1.056 -0.758 1.00 0.00 O ATOM 517 CB THR A 32 -12.014 -0.396 1.328 1.00 0.00 C ATOM 518 OG1 THR A 32 -11.696 0.971 1.101 1.00 0.00 O ATOM 519 CG2 THR A 32 -12.316 -0.569 2.827 1.00 0.00 C ATOM 0 H THR A 32 -9.394 -0.153 1.775 1.00 0.00 H new ATOM 0 HA THR A 32 -11.287 -2.330 1.169 1.00 0.00 H new ATOM 0 HB THR A 32 -12.864 -0.647 0.693 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.463 1.530 1.345 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.131 0.096 3.113 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.604 -1.602 3.023 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.427 -0.324 3.408 1.00 0.00 H new ATOM 527 N GLU A 33 -11.420 -1.310 -1.391 1.00 0.00 N ATOM 528 CA GLU A 33 -11.209 -1.079 -2.800 1.00 0.00 C ATOM 529 C GLU A 33 -11.036 0.394 -3.070 1.00 0.00 C ATOM 530 O GLU A 33 -10.543 0.772 -4.129 1.00 0.00 O ATOM 531 CB GLU A 33 -12.373 -1.624 -3.663 1.00 0.00 C ATOM 532 CG GLU A 33 -13.757 -1.038 -3.319 1.00 0.00 C ATOM 533 CD GLU A 33 -14.819 -1.662 -4.223 1.00 0.00 C ATOM 534 OE1 GLU A 33 -15.021 -2.901 -4.131 1.00 0.00 O ATOM 535 OE2 GLU A 33 -15.443 -0.906 -5.016 1.00 0.00 O ATOM 0 H GLU A 33 -12.385 -1.547 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.303 -1.617 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -12.157 -1.419 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.414 -2.708 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.995 -1.233 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.747 0.044 -3.447 1.00 0.00 H new ATOM 542 N GLN A 34 -11.455 1.253 -2.107 1.00 0.00 N ATOM 543 CA GLN A 34 -11.443 2.686 -2.232 1.00 0.00 C ATOM 544 C GLN A 34 -10.170 3.242 -1.670 1.00 0.00 C ATOM 545 O GLN A 34 -9.511 4.052 -2.317 1.00 0.00 O ATOM 546 CB GLN A 34 -12.656 3.321 -1.509 1.00 0.00 C ATOM 547 CG GLN A 34 -12.743 4.855 -1.592 1.00 0.00 C ATOM 548 CD GLN A 34 -12.837 5.306 -3.056 1.00 0.00 C ATOM 549 OE1 GLN A 34 -13.793 4.957 -3.760 1.00 0.00 O ATOM 550 NE2 GLN A 34 -11.818 6.096 -3.514 1.00 0.00 N ATOM 0 H GLN A 34 -11.815 0.934 -1.208 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.509 2.931 -3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.569 2.899 -1.928 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.624 3.032 -0.459 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.614 5.207 -1.040 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.866 5.301 -1.123 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.053 6.354 -2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.823 6.427 -4.479 1.00 0.00 H new ATOM 559 N ARG A 35 -9.794 2.806 -0.443 1.00 0.00 N ATOM 560 CA ARG A 35 -8.620 3.242 0.279 1.00 0.00 C ATOM 561 C ARG A 35 -7.371 2.889 -0.457 1.00 0.00 C ATOM 562 O ARG A 35 -6.458 3.701 -0.549 1.00 0.00 O ATOM 563 CB ARG A 35 -8.468 2.506 1.625 1.00 0.00 C ATOM 564 CG ARG A 35 -9.318 3.061 2.781 1.00 0.00 C ATOM 565 CD ARG A 35 -8.907 4.462 3.262 1.00 0.00 C ATOM 566 NE ARG A 35 -7.447 4.423 3.610 1.00 0.00 N ATOM 567 CZ ARG A 35 -6.957 4.248 4.875 1.00 0.00 C ATOM 568 NH1 ARG A 35 -7.779 4.228 5.962 1.00 0.00 N ATOM 569 NH2 ARG A 35 -5.611 4.084 5.045 1.00 0.00 N ATOM 0 H ARG A 35 -10.336 2.113 0.073 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.751 4.317 0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.727 1.457 1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.419 2.537 1.920 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.361 3.091 2.466 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.259 2.370 3.622 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.094 5.202 2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.498 4.756 4.130 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.775 4.535 2.851 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.785 4.345 5.843 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.388 4.096 6.895 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.990 4.093 4.236 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.227 3.952 5.981 1.00 0.00 H new ATOM 583 N ARG A 36 -7.319 1.645 -0.977 1.00 0.00 N ATOM 584 CA ARG A 36 -6.161 1.093 -1.646 1.00 0.00 C ATOM 585 C ARG A 36 -5.881 1.834 -2.923 1.00 0.00 C ATOM 586 O ARG A 36 -4.734 2.129 -3.251 1.00 0.00 O ATOM 587 CB ARG A 36 -6.362 -0.396 -1.982 1.00 0.00 C ATOM 588 CG ARG A 36 -5.123 -1.066 -2.590 1.00 0.00 C ATOM 589 CD ARG A 36 -5.286 -2.578 -2.762 1.00 0.00 C ATOM 590 NE ARG A 36 -6.387 -2.831 -3.748 1.00 0.00 N ATOM 591 CZ ARG A 36 -6.947 -4.065 -3.931 1.00 0.00 C ATOM 592 NH1 ARG A 36 -6.541 -5.139 -3.197 1.00 0.00 N ATOM 593 NH2 ARG A 36 -7.933 -4.219 -4.866 1.00 0.00 N ATOM 0 H ARG A 36 -8.105 0.997 -0.934 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.319 1.198 -0.961 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.643 -0.929 -1.074 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.195 -0.493 -2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.912 -0.616 -3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.261 -0.869 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.354 -3.021 -3.113 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.520 -3.045 -1.805 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.733 -2.050 -4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.807 -5.030 -2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.971 -6.052 -3.348 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.243 -3.419 -5.417 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.359 -5.134 -5.012 1.00 0.00 H new ATOM 607 N GLN A 37 -6.971 2.182 -3.640 1.00 0.00 N ATOM 608 CA GLN A 37 -6.982 2.954 -4.847 1.00 0.00 C ATOM 609 C GLN A 37 -6.542 4.381 -4.637 1.00 0.00 C ATOM 610 O GLN A 37 -6.084 5.038 -5.569 1.00 0.00 O ATOM 611 CB GLN A 37 -8.411 2.970 -5.422 1.00 0.00 C ATOM 612 CG GLN A 37 -8.429 3.312 -6.911 1.00 0.00 C ATOM 613 CD GLN A 37 -9.820 3.071 -7.504 1.00 0.00 C ATOM 614 OE1 GLN A 37 -10.791 2.810 -6.783 1.00 0.00 O ATOM 615 NE2 GLN A 37 -9.902 3.167 -8.866 1.00 0.00 N ATOM 0 H GLN A 37 -7.909 1.903 -3.353 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.276 2.484 -5.531 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.873 1.995 -5.269 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.012 3.697 -4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.143 4.354 -7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.693 2.704 -7.438 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.069 3.385 -9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.796 3.021 -9.335 1.00 0.00 H new ATOM 624 N SER A 38 -6.665 4.886 -3.389 1.00 0.00 N ATOM 625 CA SER A 38 -6.280 6.238 -3.041 1.00 0.00 C ATOM 626 C SER A 38 -4.789 6.315 -2.874 1.00 0.00 C ATOM 627 O SER A 38 -4.174 7.278 -3.325 1.00 0.00 O ATOM 628 CB SER A 38 -6.907 6.764 -1.734 1.00 0.00 C ATOM 629 OG SER A 38 -8.325 6.774 -1.819 1.00 0.00 O ATOM 0 H SER A 38 -7.037 4.351 -2.605 1.00 0.00 H new ATOM 0 HA SER A 38 -6.645 6.856 -3.861 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.593 6.138 -0.898 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.544 7.772 -1.532 1.00 0.00 H new ATOM 0 HG SER A 38 -8.649 5.864 -1.983 1.00 0.00 H new ATOM 635 N LEU A 39 -4.167 5.283 -2.248 1.00 0.00 N ATOM 636 CA LEU A 39 -2.733 5.219 -2.021 1.00 0.00 C ATOM 637 C LEU A 39 -2.034 5.065 -3.351 1.00 0.00 C ATOM 638 O LEU A 39 -0.931 5.569 -3.563 1.00 0.00 O ATOM 639 CB LEU A 39 -2.272 4.022 -1.141 1.00 0.00 C ATOM 640 CG LEU A 39 -3.226 3.562 -0.013 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.635 2.348 0.726 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.643 4.655 0.988 1.00 0.00 C ATOM 0 H LEU A 39 -4.669 4.471 -1.889 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.480 6.140 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.091 3.171 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.316 4.285 -0.688 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.150 3.285 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.317 2.036 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.494 1.527 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.674 2.620 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.311 4.228 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.756 5.056 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.158 5.457 0.458 1.00 0.00 H new ATOM 654 N ALA A 40 -2.724 4.355 -4.273 1.00 0.00 N ATOM 655 CA ALA A 40 -2.318 4.075 -5.623 1.00 0.00 C ATOM 656 C ALA A 40 -2.397 5.296 -6.491 1.00 0.00 C ATOM 657 O ALA A 40 -1.661 5.418 -7.465 1.00 0.00 O ATOM 658 CB ALA A 40 -3.231 3.013 -6.253 1.00 0.00 C ATOM 0 H ALA A 40 -3.633 3.947 -4.056 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.288 3.723 -5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.907 2.815 -7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.176 2.094 -5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.259 3.376 -6.262 1.00 0.00 H new ATOM 664 N GLN A 41 -3.295 6.251 -6.156 1.00 0.00 N ATOM 665 CA GLN A 41 -3.463 7.469 -6.904 1.00 0.00 C ATOM 666 C GLN A 41 -2.288 8.377 -6.656 1.00 0.00 C ATOM 667 O GLN A 41 -1.863 9.103 -7.556 1.00 0.00 O ATOM 668 CB GLN A 41 -4.769 8.184 -6.486 1.00 0.00 C ATOM 669 CG GLN A 41 -5.153 9.421 -7.315 1.00 0.00 C ATOM 670 CD GLN A 41 -5.346 9.056 -8.791 1.00 0.00 C ATOM 671 OE1 GLN A 41 -4.564 9.479 -9.650 1.00 0.00 O ATOM 672 NE2 GLN A 41 -6.418 8.257 -9.079 1.00 0.00 N ATOM 0 H GLN A 41 -3.916 6.176 -5.350 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.522 7.226 -7.965 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.587 7.466 -6.541 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.678 8.484 -5.442 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.072 9.856 -6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.376 10.180 -7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.031 7.937 -8.330 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.604 7.981 -10.043 1.00 0.00 H new ATOM 681 N GLU A 42 -1.727 8.339 -5.420 1.00 0.00 N ATOM 682 CA GLU A 42 -0.697 9.275 -5.012 1.00 0.00 C ATOM 683 C GLU A 42 0.637 8.978 -5.607 1.00 0.00 C ATOM 684 O GLU A 42 1.229 9.813 -6.289 1.00 0.00 O ATOM 685 CB GLU A 42 -0.477 9.381 -3.479 1.00 0.00 C ATOM 686 CG GLU A 42 -1.767 9.499 -2.659 1.00 0.00 C ATOM 687 CD GLU A 42 -2.601 10.696 -3.108 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.105 11.848 -2.976 1.00 0.00 O ATOM 689 OE2 GLU A 42 -3.747 10.477 -3.585 1.00 0.00 O ATOM 0 H GLU A 42 -1.985 7.662 -4.702 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.094 10.219 -5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.074 8.503 -3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.150 10.249 -3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.352 8.585 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.521 9.600 -1.602 1.00 0.00 H new ATOM 696 N LEU A 43 1.135 7.759 -5.333 1.00 0.00 N ATOM 697 CA LEU A 43 2.454 7.302 -5.680 1.00 0.00 C ATOM 698 C LEU A 43 2.522 7.052 -7.148 1.00 0.00 C ATOM 699 O LEU A 43 3.561 7.218 -7.784 1.00 0.00 O ATOM 700 CB LEU A 43 2.742 5.979 -4.950 1.00 0.00 C ATOM 701 CG LEU A 43 2.623 6.112 -3.417 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.783 4.747 -2.734 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.598 7.159 -2.844 1.00 0.00 C ATOM 0 H LEU A 43 0.590 7.050 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 43 3.184 8.059 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.047 5.216 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.745 5.638 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 43 1.619 6.477 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.695 4.868 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.006 4.070 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.762 4.333 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.476 7.216 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.622 6.870 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.386 8.133 -3.285 1.00 0.00 H new ATOM 715 N GLY A 44 1.360 6.653 -7.700 1.00 0.00 N ATOM 716 CA GLY A 44 1.197 6.365 -9.100 1.00 0.00 C ATOM 717 C GLY A 44 1.351 4.891 -9.257 1.00 0.00 C ATOM 718 O GLY A 44 1.860 4.408 -10.267 1.00 0.00 O ATOM 0 H GLY A 44 0.505 6.526 -7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.218 6.691 -9.450 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.941 6.897 -9.693 1.00 0.00 H new ATOM 722 N LEU A 45 0.883 4.148 -8.227 1.00 0.00 N ATOM 723 CA LEU A 45 0.859 2.699 -8.244 1.00 0.00 C ATOM 724 C LEU A 45 -0.473 2.270 -8.805 1.00 0.00 C ATOM 725 O LEU A 45 -1.280 3.096 -9.227 1.00 0.00 O ATOM 726 CB LEU A 45 1.061 2.070 -6.839 1.00 0.00 C ATOM 727 CG LEU A 45 2.513 2.161 -6.304 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.568 1.780 -4.814 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.482 1.276 -7.102 1.00 0.00 C ATOM 0 H LEU A 45 0.515 4.555 -7.367 1.00 0.00 H new ATOM 0 HA LEU A 45 1.689 2.350 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.394 2.564 -6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.765 1.022 -6.877 1.00 0.00 H new ATOM 0 HG LEU A 45 2.830 3.197 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.596 1.850 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.938 2.461 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.209 0.759 -4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.487 1.373 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.162 0.236 -7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.486 1.590 -8.146 1.00 0.00 H new ATOM 741 N ASN A 46 -0.713 0.941 -8.838 1.00 0.00 N ATOM 742 CA ASN A 46 -1.973 0.361 -9.228 1.00 0.00 C ATOM 743 C ASN A 46 -2.574 -0.184 -7.965 1.00 0.00 C ATOM 744 O ASN A 46 -1.986 -0.094 -6.889 1.00 0.00 O ATOM 745 CB ASN A 46 -1.830 -0.802 -10.244 1.00 0.00 C ATOM 746 CG ASN A 46 -1.135 -0.291 -11.513 1.00 0.00 C ATOM 747 OD1 ASN A 46 -1.634 0.629 -12.172 1.00 0.00 O ATOM 748 ND2 ASN A 46 0.038 -0.907 -11.851 1.00 0.00 N ATOM 0 H ASN A 46 -0.010 0.247 -8.586 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.580 1.122 -9.718 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.253 -1.615 -9.803 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.812 -1.205 -10.492 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.547 -0.612 -12.684 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.404 -1.661 -11.270 1.00 0.00 H new ATOM 755 N GLU A 47 -3.781 -0.782 -8.082 1.00 0.00 N ATOM 756 CA GLU A 47 -4.447 -1.492 -7.015 1.00 0.00 C ATOM 757 C GLU A 47 -3.753 -2.797 -6.785 1.00 0.00 C ATOM 758 O GLU A 47 -3.616 -3.263 -5.659 1.00 0.00 O ATOM 759 CB GLU A 47 -5.910 -1.826 -7.370 1.00 0.00 C ATOM 760 CG GLU A 47 -6.676 -0.571 -7.802 1.00 0.00 C ATOM 761 CD GLU A 47 -8.177 -0.833 -7.728 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.671 -1.665 -8.536 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.851 -0.214 -6.864 1.00 0.00 O ATOM 0 H GLU A 47 -4.316 -0.773 -8.951 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.421 -0.848 -6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.933 -2.563 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.402 -2.277 -6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.411 0.268 -7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.395 -0.294 -8.818 1.00 0.00 H new ATOM 770 N SER A 48 -3.305 -3.387 -7.910 1.00 0.00 N ATOM 771 CA SER A 48 -2.721 -4.705 -8.022 1.00 0.00 C ATOM 772 C SER A 48 -1.330 -4.756 -7.444 1.00 0.00 C ATOM 773 O SER A 48 -0.864 -5.817 -7.031 1.00 0.00 O ATOM 774 CB SER A 48 -2.621 -5.168 -9.494 1.00 0.00 C ATOM 775 OG SER A 48 -3.909 -5.209 -10.092 1.00 0.00 O ATOM 0 H SER A 48 -3.352 -2.913 -8.812 1.00 0.00 H new ATOM 0 HA SER A 48 -3.386 -5.364 -7.463 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.976 -4.489 -10.052 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.161 -6.155 -9.540 1.00 0.00 H new ATOM 0 HG SER A 48 -3.828 -5.502 -11.024 1.00 0.00 H new ATOM 781 N GLN A 49 -0.640 -3.595 -7.391 1.00 0.00 N ATOM 782 CA GLN A 49 0.690 -3.456 -6.856 1.00 0.00 C ATOM 783 C GLN A 49 0.652 -3.535 -5.357 1.00 0.00 C ATOM 784 O GLN A 49 1.439 -4.259 -4.750 1.00 0.00 O ATOM 785 CB GLN A 49 1.287 -2.086 -7.248 1.00 0.00 C ATOM 786 CG GLN A 49 1.651 -1.964 -8.737 1.00 0.00 C ATOM 787 CD GLN A 49 2.931 -2.752 -9.041 1.00 0.00 C ATOM 788 OE1 GLN A 49 4.036 -2.215 -8.897 1.00 0.00 O ATOM 789 NE2 GLN A 49 2.770 -4.041 -9.469 1.00 0.00 N ATOM 0 H GLN A 49 -1.024 -2.715 -7.735 1.00 0.00 H new ATOM 0 HA GLN A 49 1.303 -4.260 -7.263 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.572 -1.304 -6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.181 -1.907 -6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.831 -2.339 -9.350 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.791 -0.915 -8.999 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.833 -4.432 -9.569 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.587 -4.612 -9.688 1.00 0.00 H new ATOM 798 N ILE A 50 -0.284 -2.783 -4.735 1.00 0.00 N ATOM 799 CA ILE A 50 -0.403 -2.635 -3.305 1.00 0.00 C ATOM 800 C ILE A 50 -1.124 -3.838 -2.729 1.00 0.00 C ATOM 801 O ILE A 50 -1.007 -4.133 -1.544 1.00 0.00 O ATOM 802 CB ILE A 50 -1.091 -1.321 -2.949 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.458 -0.169 -3.769 1.00 0.00 C ATOM 804 CG2 ILE A 50 -0.958 -1.036 -1.437 1.00 0.00 C ATOM 805 CD1 ILE A 50 -1.077 1.194 -3.481 1.00 0.00 C ATOM 0 H ILE A 50 -0.989 -2.255 -5.249 1.00 0.00 H new ATOM 0 HA ILE A 50 0.591 -2.594 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.151 -1.396 -3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.610 -0.126 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.563 -0.390 -4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.454 -0.095 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.423 -1.844 -0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.097 -0.967 -1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.585 1.953 -4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.140 1.169 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.949 1.436 -2.426 1.00 0.00 H new ATOM 817 N LYS A 51 -1.846 -4.609 -3.581 1.00 0.00 N ATOM 818 CA LYS A 51 -2.513 -5.851 -3.237 1.00 0.00 C ATOM 819 C LYS A 51 -1.503 -6.860 -2.774 1.00 0.00 C ATOM 820 O LYS A 51 -1.597 -7.407 -1.677 1.00 0.00 O ATOM 821 CB LYS A 51 -3.249 -6.432 -4.471 1.00 0.00 C ATOM 822 CG LYS A 51 -4.192 -7.623 -4.215 1.00 0.00 C ATOM 823 CD LYS A 51 -3.537 -9.008 -4.364 1.00 0.00 C ATOM 824 CE LYS A 51 -4.550 -10.156 -4.273 1.00 0.00 C ATOM 825 NZ LYS A 51 -3.889 -11.468 -4.473 1.00 0.00 N ATOM 0 H LYS A 51 -1.973 -4.356 -4.561 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.232 -5.642 -2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.829 -5.631 -4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.500 -6.741 -5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.600 -7.536 -3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.033 -7.558 -4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.021 -9.060 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.782 -9.133 -3.588 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.040 -10.137 -3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.328 -10.019 -5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.575 -12.231 -4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.531 -11.531 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.097 -11.563 -3.806 1.00 0.00 H new ATOM 839 N ILE A 52 -0.492 -7.086 -3.638 1.00 0.00 N ATOM 840 CA ILE A 52 0.603 -7.999 -3.482 1.00 0.00 C ATOM 841 C ILE A 52 1.479 -7.570 -2.339 1.00 0.00 C ATOM 842 O ILE A 52 1.860 -8.394 -1.512 1.00 0.00 O ATOM 843 CB ILE A 52 1.359 -8.058 -4.804 1.00 0.00 C ATOM 844 CG1 ILE A 52 0.495 -8.789 -5.862 1.00 0.00 C ATOM 845 CG2 ILE A 52 2.743 -8.702 -4.609 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.082 -8.754 -7.277 1.00 0.00 C ATOM 0 H ILE A 52 -0.438 -6.584 -4.524 1.00 0.00 H new ATOM 0 HA ILE A 52 0.246 -8.999 -3.238 1.00 0.00 H new ATOM 0 HB ILE A 52 1.542 -7.049 -5.173 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.368 -9.828 -5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.497 -8.339 -5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.267 -8.735 -5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.322 -8.112 -3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.622 -9.715 -4.226 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.419 -9.287 -7.959 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.183 -7.719 -7.604 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.062 -9.231 -7.276 1.00 0.00 H new ATOM 858 N TRP A 53 1.794 -6.260 -2.277 1.00 0.00 N ATOM 859 CA TRP A 53 2.644 -5.649 -1.277 1.00 0.00 C ATOM 860 C TRP A 53 2.130 -5.848 0.129 1.00 0.00 C ATOM 861 O TRP A 53 2.921 -6.099 1.030 1.00 0.00 O ATOM 862 CB TRP A 53 2.848 -4.129 -1.512 1.00 0.00 C ATOM 863 CG TRP A 53 3.898 -3.470 -0.621 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.258 -3.433 -0.764 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.599 -2.766 0.598 1.00 0.00 C ATOM 866 NE1 TRP A 53 5.825 -2.723 0.271 1.00 0.00 N ATOM 867 CE2 TRP A 53 4.824 -2.307 1.122 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.402 -2.515 1.253 1.00 0.00 C ATOM 869 CZ2 TRP A 53 4.861 -1.580 2.308 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.441 -1.820 2.471 1.00 0.00 C ATOM 871 CH2 TRP A 53 3.657 -1.357 2.990 1.00 0.00 C ATOM 0 H TRP A 53 1.441 -5.586 -2.957 1.00 0.00 H new ATOM 0 HA TRP A 53 3.600 -6.161 -1.384 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.128 -3.973 -2.554 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.895 -3.623 -1.359 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.807 -3.894 -1.572 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.821 -2.536 0.388 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.463 -2.847 0.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.794 -1.197 2.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.525 -1.640 3.014 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.667 -0.821 3.928 1.00 0.00 H new ATOM 882 N PHE A 54 0.797 -5.757 0.358 1.00 0.00 N ATOM 883 CA PHE A 54 0.210 -5.930 1.673 1.00 0.00 C ATOM 884 C PHE A 54 0.360 -7.350 2.136 1.00 0.00 C ATOM 885 O PHE A 54 0.644 -7.574 3.306 1.00 0.00 O ATOM 886 CB PHE A 54 -1.301 -5.563 1.723 1.00 0.00 C ATOM 887 CG PHE A 54 -1.476 -4.197 2.330 1.00 0.00 C ATOM 888 CD1 PHE A 54 -1.076 -3.046 1.634 1.00 0.00 C ATOM 889 CD2 PHE A 54 -2.007 -4.050 3.625 1.00 0.00 C ATOM 890 CE1 PHE A 54 -1.173 -1.779 2.218 1.00 0.00 C ATOM 891 CE2 PHE A 54 -2.124 -2.781 4.203 1.00 0.00 C ATOM 892 CZ PHE A 54 -1.697 -1.647 3.508 1.00 0.00 C ATOM 0 H PHE A 54 0.115 -5.561 -0.375 1.00 0.00 H new ATOM 0 HA PHE A 54 0.750 -5.246 2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.722 -5.581 0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.845 -6.304 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.687 -3.140 0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.326 -4.922 4.176 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.844 -0.905 1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.547 -2.678 5.192 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.771 -0.671 3.965 1.00 0.00 H new ATOM 902 N GLN A 55 0.203 -8.337 1.223 1.00 0.00 N ATOM 903 CA GLN A 55 0.287 -9.743 1.523 1.00 0.00 C ATOM 904 C GLN A 55 1.708 -10.188 1.773 1.00 0.00 C ATOM 905 O GLN A 55 1.930 -11.194 2.443 1.00 0.00 O ATOM 906 CB GLN A 55 -0.304 -10.572 0.367 1.00 0.00 C ATOM 907 CG GLN A 55 -1.803 -10.294 0.151 1.00 0.00 C ATOM 908 CD GLN A 55 -2.299 -11.024 -1.103 1.00 0.00 C ATOM 909 OE1 GLN A 55 -1.596 -11.092 -2.118 1.00 0.00 O ATOM 910 NE2 GLN A 55 -3.552 -11.567 -1.024 1.00 0.00 N ATOM 0 H GLN A 55 0.010 -8.149 0.239 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.287 -9.908 2.435 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.240 -10.349 -0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.160 -11.633 0.574 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.371 -10.623 1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.971 -9.222 0.047 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.091 -11.483 -0.162 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.947 -12.056 -1.827 1.00 0.00 H new ATOM 919 N ASN A 56 2.701 -9.425 1.255 1.00 0.00 N ATOM 920 CA ASN A 56 4.115 -9.638 1.455 1.00 0.00 C ATOM 921 C ASN A 56 4.521 -9.182 2.835 1.00 0.00 C ATOM 922 O ASN A 56 5.307 -9.843 3.512 1.00 0.00 O ATOM 923 CB ASN A 56 4.959 -8.808 0.456 1.00 0.00 C ATOM 924 CG ASN A 56 4.834 -9.347 -0.978 1.00 0.00 C ATOM 925 OD1 ASN A 56 4.335 -10.451 -1.217 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.320 -8.520 -1.955 1.00 0.00 N ATOM 0 H ASN A 56 2.507 -8.616 0.665 1.00 0.00 H new ATOM 0 HA ASN A 56 4.294 -10.704 1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.636 -7.767 0.483 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.005 -8.825 0.761 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.279 -8.807 -2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.723 -7.617 -1.705 1.00 0.00 H new ATOM 933 N LYS A 57 3.984 -8.022 3.277 1.00 0.00 N ATOM 934 CA LYS A 57 4.243 -7.427 4.571 1.00 0.00 C ATOM 935 C LYS A 57 3.522 -8.156 5.669 1.00 0.00 C ATOM 936 O LYS A 57 3.922 -8.105 6.831 1.00 0.00 O ATOM 937 CB LYS A 57 3.786 -5.948 4.620 1.00 0.00 C ATOM 938 CG LYS A 57 4.583 -5.006 3.701 1.00 0.00 C ATOM 939 CD LYS A 57 6.102 -5.030 3.928 1.00 0.00 C ATOM 940 CE LYS A 57 6.537 -4.445 5.278 1.00 0.00 C ATOM 941 NZ LYS A 57 8.012 -4.462 5.411 1.00 0.00 N ATOM 0 H LYS A 57 3.340 -7.471 2.710 1.00 0.00 H new ATOM 0 HA LYS A 57 5.321 -7.493 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.732 -5.897 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.867 -5.589 5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.379 -5.272 2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.223 -3.987 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.454 -6.059 3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.588 -4.472 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.171 -3.422 5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.088 -5.019 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.282 -4.062 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.355 -5.442 5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.436 -3.895 4.649 1.00 0.00 H new