USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=8 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 38 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 41 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0371 USER MOD Single : A 17 GLN : amide:sc= -0.119 K(o=-0.12,f=-3!) USER MOD Single : A 19 GLN : amide:sc= -0.246 K(o=-0.25,f=-1.6!) USER MOD Single : A 22 LYS NZ :NH3+ -173:sc=-0.000332 (180deg=-0.0529) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.487 X(o=-0.49,f=-0.49) USER MOD Single : A 37 GLN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0302 X(o=-0.03,f=-0.03) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.0193 K(o=-0.019,f=-1.2) USER MOD Single : A 57 LYS NZ :NH3+ -141:sc= 0.0346 (180deg=-0.0769) USER MOD ----------------------------------------------------------------- ATOM 182 N PHE A 13 8.820 -0.183 -6.723 1.00 0.00 N ATOM 183 CA PHE A 13 8.566 0.970 -5.902 1.00 0.00 C ATOM 184 C PHE A 13 9.852 1.724 -5.791 1.00 0.00 C ATOM 185 O PHE A 13 10.930 1.182 -6.032 1.00 0.00 O ATOM 186 CB PHE A 13 8.133 0.666 -4.444 1.00 0.00 C ATOM 187 CG PHE A 13 6.835 -0.093 -4.379 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.761 -1.469 -4.670 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.665 0.578 -3.992 1.00 0.00 C ATOM 190 CE1 PHE A 13 5.533 -2.141 -4.619 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.443 -0.094 -3.927 1.00 0.00 C ATOM 192 CZ PHE A 13 4.373 -1.449 -4.256 1.00 0.00 C ATOM 0 HA PHE A 13 7.746 1.504 -6.382 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.914 0.089 -3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.032 1.602 -3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.658 -2.010 -4.934 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.710 1.628 -3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.482 -3.193 -4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.552 0.434 -3.622 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.423 -1.963 -4.230 1.00 0.00 H new ATOM 202 N THR A 14 9.735 3.007 -5.403 1.00 0.00 N ATOM 203 CA THR A 14 10.857 3.875 -5.144 1.00 0.00 C ATOM 204 C THR A 14 10.998 3.919 -3.646 1.00 0.00 C ATOM 205 O THR A 14 10.238 3.271 -2.931 1.00 0.00 O ATOM 206 CB THR A 14 10.735 5.266 -5.765 1.00 0.00 C ATOM 207 OG1 THR A 14 9.673 6.033 -5.208 1.00 0.00 O ATOM 208 CG2 THR A 14 10.497 5.098 -7.280 1.00 0.00 C ATOM 0 H THR A 14 8.832 3.461 -5.263 1.00 0.00 H new ATOM 0 HA THR A 14 11.752 3.480 -5.623 1.00 0.00 H new ATOM 0 HB THR A 14 11.658 5.807 -5.557 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.643 6.912 -5.640 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.407 6.080 -7.745 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.337 4.562 -7.723 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.579 4.533 -7.444 1.00 0.00 H new ATOM 216 N ALA A 15 11.978 4.691 -3.132 1.00 0.00 N ATOM 217 CA ALA A 15 12.252 4.787 -1.717 1.00 0.00 C ATOM 218 C ALA A 15 11.164 5.542 -1.003 1.00 0.00 C ATOM 219 O ALA A 15 10.846 5.248 0.145 1.00 0.00 O ATOM 220 CB ALA A 15 13.579 5.518 -1.449 1.00 0.00 C ATOM 0 H ALA A 15 12.596 5.263 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 15 12.309 3.764 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.754 5.572 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.396 4.974 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.528 6.526 -1.860 1.00 0.00 H new ATOM 226 N GLU A 16 10.566 6.534 -1.704 1.00 0.00 N ATOM 227 CA GLU A 16 9.565 7.425 -1.188 1.00 0.00 C ATOM 228 C GLU A 16 8.210 6.777 -1.150 1.00 0.00 C ATOM 229 O GLU A 16 7.360 7.160 -0.347 1.00 0.00 O ATOM 230 CB GLU A 16 9.466 8.689 -2.071 1.00 0.00 C ATOM 231 CG GLU A 16 10.786 9.477 -2.174 1.00 0.00 C ATOM 232 CD GLU A 16 11.253 9.907 -0.783 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.559 10.753 -0.159 1.00 0.00 O ATOM 234 OE2 GLU A 16 12.307 9.389 -0.324 1.00 0.00 O ATOM 0 H GLU A 16 10.795 6.722 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 16 9.866 7.687 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.148 8.398 -3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.693 9.343 -1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.550 8.861 -2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.646 10.354 -2.806 1.00 0.00 H new ATOM 241 N GLN A 17 7.981 5.767 -2.017 1.00 0.00 N ATOM 242 CA GLN A 17 6.723 5.072 -2.102 1.00 0.00 C ATOM 243 C GLN A 17 6.652 4.035 -1.016 1.00 0.00 C ATOM 244 O GLN A 17 5.630 3.928 -0.341 1.00 0.00 O ATOM 245 CB GLN A 17 6.515 4.394 -3.471 1.00 0.00 C ATOM 246 CG GLN A 17 6.343 5.412 -4.610 1.00 0.00 C ATOM 247 CD GLN A 17 6.136 4.680 -5.941 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.300 3.460 -6.031 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.762 5.466 -6.994 1.00 0.00 N ATOM 0 H GLN A 17 8.683 5.425 -2.673 1.00 0.00 H new ATOM 0 HA GLN A 17 5.932 5.812 -1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.368 3.751 -3.688 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.635 3.752 -3.425 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.490 6.059 -4.405 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.222 6.054 -4.671 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.641 6.470 -6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.604 5.049 -7.911 1.00 0.00 H new ATOM 258 N LEU A 18 7.753 3.272 -0.804 1.00 0.00 N ATOM 259 CA LEU A 18 7.886 2.247 0.204 1.00 0.00 C ATOM 260 C LEU A 18 7.594 2.757 1.593 1.00 0.00 C ATOM 261 O LEU A 18 6.754 2.183 2.279 1.00 0.00 O ATOM 262 CB LEU A 18 9.316 1.657 0.228 1.00 0.00 C ATOM 263 CG LEU A 18 9.663 0.753 -0.976 1.00 0.00 C ATOM 264 CD1 LEU A 18 11.177 0.476 -1.038 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.862 -0.562 -0.983 1.00 0.00 C ATOM 0 H LEU A 18 8.597 3.376 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 18 7.156 1.485 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.032 2.478 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.441 1.081 1.145 1.00 0.00 H new ATOM 0 HG LEU A 18 9.372 1.301 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.395 -0.162 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.715 1.418 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.493 -0.024 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.147 -1.157 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.075 -1.123 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.796 -0.339 -1.030 1.00 0.00 H new ATOM 277 N GLN A 19 8.280 3.846 2.024 1.00 0.00 N ATOM 278 CA GLN A 19 8.254 4.369 3.377 1.00 0.00 C ATOM 279 C GLN A 19 6.915 4.927 3.774 1.00 0.00 C ATOM 280 O GLN A 19 6.536 4.892 4.945 1.00 0.00 O ATOM 281 CB GLN A 19 9.350 5.441 3.602 1.00 0.00 C ATOM 282 CG GLN A 19 9.299 6.716 2.728 1.00 0.00 C ATOM 283 CD GLN A 19 8.372 7.800 3.300 1.00 0.00 C ATOM 284 OE1 GLN A 19 8.143 7.877 4.514 1.00 0.00 O ATOM 285 NE2 GLN A 19 7.841 8.669 2.386 1.00 0.00 N ATOM 0 H GLN A 19 8.881 4.389 1.404 1.00 0.00 H new ATOM 0 HA GLN A 19 8.456 3.510 4.017 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.309 5.749 4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.319 4.967 3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.306 7.122 2.629 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.962 6.450 1.726 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.060 8.564 1.395 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.226 9.422 2.695 1.00 0.00 H new ATOM 294 N ARG A 20 6.169 5.437 2.775 1.00 0.00 N ATOM 295 CA ARG A 20 4.836 5.981 2.898 1.00 0.00 C ATOM 296 C ARG A 20 3.864 4.891 3.281 1.00 0.00 C ATOM 297 O ARG A 20 2.999 5.097 4.132 1.00 0.00 O ATOM 298 CB ARG A 20 4.414 6.658 1.569 1.00 0.00 C ATOM 299 CG ARG A 20 3.047 7.368 1.542 1.00 0.00 C ATOM 300 CD ARG A 20 1.877 6.452 1.150 1.00 0.00 C ATOM 301 NE ARG A 20 0.679 7.309 0.866 1.00 0.00 N ATOM 302 CZ ARG A 20 -0.268 6.985 -0.068 1.00 0.00 C ATOM 303 NH1 ARG A 20 -0.171 5.839 -0.801 1.00 0.00 N ATOM 304 NH2 ARG A 20 -1.326 7.825 -0.274 1.00 0.00 N ATOM 0 H ARG A 20 6.514 5.475 1.816 1.00 0.00 H new ATOM 0 HA ARG A 20 4.829 6.736 3.684 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.179 7.388 1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.415 5.898 0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.849 7.792 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.095 8.200 0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.136 5.860 0.272 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.659 5.750 1.955 1.00 0.00 H new ATOM 0 HE ARG A 20 0.565 8.174 1.394 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.617 5.207 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.886 5.614 -1.493 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.406 8.686 0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.036 7.591 -0.968 1.00 0.00 H new ATOM 318 N LEU A 21 4.012 3.692 2.669 1.00 0.00 N ATOM 319 CA LEU A 21 3.154 2.554 2.904 1.00 0.00 C ATOM 320 C LEU A 21 3.465 1.859 4.201 1.00 0.00 C ATOM 321 O LEU A 21 2.613 1.145 4.722 1.00 0.00 O ATOM 322 CB LEU A 21 3.314 1.470 1.824 1.00 0.00 C ATOM 323 CG LEU A 21 3.022 1.948 0.393 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.504 0.913 -0.638 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.541 2.318 0.185 1.00 0.00 C ATOM 0 H LEU A 21 4.750 3.507 1.990 1.00 0.00 H new ATOM 0 HA LEU A 21 2.149 2.975 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.332 1.083 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.648 0.640 2.059 1.00 0.00 H new ATOM 0 HG LEU A 21 3.588 2.867 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.287 1.273 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.578 0.765 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.989 -0.033 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.390 2.649 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.917 1.446 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.267 3.121 0.869 1.00 0.00 H new ATOM 337 N LYS A 22 4.690 2.043 4.756 1.00 0.00 N ATOM 338 CA LYS A 22 5.077 1.477 6.034 1.00 0.00 C ATOM 339 C LYS A 22 4.342 2.197 7.133 1.00 0.00 C ATOM 340 O LYS A 22 3.994 1.602 8.151 1.00 0.00 O ATOM 341 CB LYS A 22 6.589 1.623 6.354 1.00 0.00 C ATOM 342 CG LYS A 22 7.559 0.940 5.379 1.00 0.00 C ATOM 343 CD LYS A 22 7.399 -0.581 5.256 1.00 0.00 C ATOM 344 CE LYS A 22 7.756 -1.386 6.515 1.00 0.00 C ATOM 345 NZ LYS A 22 9.174 -1.195 6.898 1.00 0.00 N ATOM 0 H LYS A 22 5.426 2.593 4.313 1.00 0.00 H new ATOM 0 HA LYS A 22 4.836 0.416 5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.830 2.685 6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.768 1.222 7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.429 1.384 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.579 1.158 5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.366 -0.800 4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.024 -0.930 4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.111 -1.080 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.565 -2.444 6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.413 -1.841 7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.785 -1.397 6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.321 -0.212 7.205 1.00 0.00 H new ATOM 359 N ALA A 23 4.083 3.508 6.911 1.00 0.00 N ATOM 360 CA ALA A 23 3.403 4.380 7.836 1.00 0.00 C ATOM 361 C ALA A 23 1.912 4.194 7.742 1.00 0.00 C ATOM 362 O ALA A 23 1.192 4.457 8.704 1.00 0.00 O ATOM 363 CB ALA A 23 3.709 5.862 7.554 1.00 0.00 C ATOM 0 H ALA A 23 4.359 3.980 6.050 1.00 0.00 H new ATOM 0 HA ALA A 23 3.762 4.117 8.831 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.178 6.486 8.272 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.781 6.036 7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.385 6.115 6.544 1.00 0.00 H new ATOM 369 N GLU A 24 1.416 3.724 6.570 1.00 0.00 N ATOM 370 CA GLU A 24 0.012 3.490 6.332 1.00 0.00 C ATOM 371 C GLU A 24 -0.377 2.178 6.964 1.00 0.00 C ATOM 372 O GLU A 24 -1.411 2.088 7.625 1.00 0.00 O ATOM 373 CB GLU A 24 -0.329 3.443 4.818 1.00 0.00 C ATOM 374 CG GLU A 24 -1.833 3.364 4.497 1.00 0.00 C ATOM 375 CD GLU A 24 -2.523 4.638 4.980 1.00 0.00 C ATOM 376 OE1 GLU A 24 -2.358 5.692 4.308 1.00 0.00 O ATOM 377 OE2 GLU A 24 -3.217 4.579 6.030 1.00 0.00 O ATOM 0 H GLU A 24 2.006 3.501 5.768 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.544 4.319 6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.084 4.331 4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.169 2.581 4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.981 3.242 3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.274 2.493 4.981 1.00 0.00 H new ATOM 384 N PHE A 25 0.475 1.136 6.781 1.00 0.00 N ATOM 385 CA PHE A 25 0.240 -0.209 7.254 1.00 0.00 C ATOM 386 C PHE A 25 0.850 -0.414 8.616 1.00 0.00 C ATOM 387 O PHE A 25 1.276 -1.505 8.992 1.00 0.00 O ATOM 388 CB PHE A 25 0.811 -1.255 6.270 1.00 0.00 C ATOM 389 CG PHE A 25 -0.036 -2.488 6.325 1.00 0.00 C ATOM 390 CD1 PHE A 25 -1.368 -2.401 5.903 1.00 0.00 C ATOM 391 CD2 PHE A 25 0.444 -3.689 6.857 1.00 0.00 C ATOM 392 CE1 PHE A 25 -2.203 -3.522 5.957 1.00 0.00 C ATOM 393 CE2 PHE A 25 -0.391 -4.812 6.934 1.00 0.00 C ATOM 394 CZ PHE A 25 -1.715 -4.728 6.483 1.00 0.00 C ATOM 0 H PHE A 25 1.361 1.235 6.285 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.839 -0.345 7.323 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.824 -0.852 5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.842 -1.494 6.531 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.753 -1.462 5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.463 -3.751 7.210 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.219 -3.460 5.595 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.015 -5.740 7.340 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.360 -5.592 6.540 1.00 0.00 H new ATOM 404 N GLN A 26 0.878 0.680 9.380 1.00 0.00 N ATOM 405 CA GLN A 26 1.357 0.760 10.731 1.00 0.00 C ATOM 406 C GLN A 26 0.169 0.544 11.619 1.00 0.00 C ATOM 407 O GLN A 26 0.112 -0.416 12.385 1.00 0.00 O ATOM 408 CB GLN A 26 1.994 2.137 11.026 1.00 0.00 C ATOM 409 CG GLN A 26 2.550 2.275 12.452 1.00 0.00 C ATOM 410 CD GLN A 26 3.220 3.643 12.624 1.00 0.00 C ATOM 411 OE1 GLN A 26 3.254 4.465 11.700 1.00 0.00 O ATOM 412 NE2 GLN A 26 3.768 3.879 13.855 1.00 0.00 N ATOM 0 H GLN A 26 0.543 1.580 9.036 1.00 0.00 H new ATOM 0 HA GLN A 26 2.131 0.011 10.902 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.800 2.313 10.314 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.248 2.914 10.861 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.745 2.162 13.178 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.270 1.481 12.649 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.712 3.167 14.583 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.232 4.767 14.045 1.00 0.00 H new ATOM 421 N THR A 27 -0.819 1.462 11.511 1.00 0.00 N ATOM 422 CA THR A 27 -2.006 1.482 12.325 1.00 0.00 C ATOM 423 C THR A 27 -3.013 0.588 11.674 1.00 0.00 C ATOM 424 O THR A 27 -3.477 -0.390 12.259 1.00 0.00 O ATOM 425 CB THR A 27 -2.564 2.892 12.482 1.00 0.00 C ATOM 426 OG1 THR A 27 -1.569 3.738 13.049 1.00 0.00 O ATOM 427 CG2 THR A 27 -3.805 2.889 13.402 1.00 0.00 C ATOM 0 H THR A 27 -0.790 2.220 10.829 1.00 0.00 H new ATOM 0 HA THR A 27 -1.766 1.132 13.329 1.00 0.00 H new ATOM 0 HB THR A 27 -2.853 3.260 11.497 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.928 4.644 13.148 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.187 3.905 13.501 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.576 2.251 12.970 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.528 2.509 14.385 1.00 0.00 H new ATOM 435 N ASN A 28 -3.363 0.936 10.423 1.00 0.00 N ATOM 436 CA ASN A 28 -4.430 0.345 9.674 1.00 0.00 C ATOM 437 C ASN A 28 -3.957 -0.919 9.022 1.00 0.00 C ATOM 438 O ASN A 28 -3.171 -0.888 8.078 1.00 0.00 O ATOM 439 CB ASN A 28 -4.924 1.298 8.563 1.00 0.00 C ATOM 440 CG ASN A 28 -5.490 2.579 9.192 1.00 0.00 C ATOM 441 OD1 ASN A 28 -6.492 2.531 9.916 1.00 0.00 O ATOM 442 ND2 ASN A 28 -4.827 3.741 8.902 1.00 0.00 N ATOM 0 H ASN A 28 -2.876 1.668 9.906 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.245 0.140 10.368 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.102 1.544 7.890 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.690 0.807 7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.155 4.626 9.290 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.005 3.722 8.298 1.00 0.00 H new ATOM 449 N ARG A 29 -4.471 -2.066 9.519 1.00 0.00 N ATOM 450 CA ARG A 29 -4.339 -3.357 8.887 1.00 0.00 C ATOM 451 C ARG A 29 -5.593 -3.589 8.110 1.00 0.00 C ATOM 452 O ARG A 29 -5.616 -4.357 7.149 1.00 0.00 O ATOM 453 CB ARG A 29 -4.195 -4.520 9.887 1.00 0.00 C ATOM 454 CG ARG A 29 -3.035 -4.323 10.869 1.00 0.00 C ATOM 455 CD ARG A 29 -1.661 -4.163 10.203 1.00 0.00 C ATOM 456 NE ARG A 29 -0.736 -3.632 11.247 1.00 0.00 N ATOM 457 CZ ARG A 29 0.612 -3.868 11.251 1.00 0.00 C ATOM 458 NH1 ARG A 29 1.201 -4.617 10.274 1.00 0.00 N ATOM 459 NH2 ARG A 29 1.384 -3.341 12.246 1.00 0.00 N ATOM 0 H ARG A 29 -4.998 -2.099 10.392 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.436 -3.340 8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.124 -4.628 10.447 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.045 -5.449 9.337 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.235 -3.441 11.477 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.000 -5.176 11.547 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.304 -5.119 9.819 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.719 -3.481 9.355 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.129 -3.063 11.997 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.635 -5.012 9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.207 -4.782 10.295 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.955 -2.776 12.979 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.389 -3.512 12.256 1.00 0.00 H new ATOM 473 N TYR A 30 -6.663 -2.883 8.540 1.00 0.00 N ATOM 474 CA TYR A 30 -7.973 -2.868 7.955 1.00 0.00 C ATOM 475 C TYR A 30 -7.971 -1.849 6.845 1.00 0.00 C ATOM 476 O TYR A 30 -8.649 -0.824 6.905 1.00 0.00 O ATOM 477 CB TYR A 30 -9.030 -2.475 9.013 1.00 0.00 C ATOM 478 CG TYR A 30 -9.017 -3.479 10.136 1.00 0.00 C ATOM 479 CD1 TYR A 30 -9.586 -4.752 9.960 1.00 0.00 C ATOM 480 CD2 TYR A 30 -8.404 -3.174 11.365 1.00 0.00 C ATOM 481 CE1 TYR A 30 -9.541 -5.702 10.989 1.00 0.00 C ATOM 482 CE2 TYR A 30 -8.355 -4.120 12.395 1.00 0.00 C ATOM 483 CZ TYR A 30 -8.925 -5.388 12.209 1.00 0.00 C ATOM 484 OH TYR A 30 -8.872 -6.345 13.245 1.00 0.00 O ATOM 0 H TYR A 30 -6.604 -2.278 9.359 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.221 -3.858 7.573 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.819 -1.478 9.400 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.019 -2.437 8.557 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.062 -5.000 9.023 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.966 -2.198 11.515 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.981 -6.677 10.842 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.879 -3.874 13.333 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.409 -5.963 14.020 1.00 0.00 H new ATOM 494 N LEU A 31 -7.170 -2.143 5.798 1.00 0.00 N ATOM 495 CA LEU A 31 -6.962 -1.320 4.641 1.00 0.00 C ATOM 496 C LEU A 31 -7.834 -1.909 3.575 1.00 0.00 C ATOM 497 O LEU A 31 -7.810 -3.121 3.360 1.00 0.00 O ATOM 498 CB LEU A 31 -5.472 -1.366 4.231 1.00 0.00 C ATOM 499 CG LEU A 31 -5.082 -0.495 3.019 1.00 0.00 C ATOM 500 CD1 LEU A 31 -3.775 0.260 3.308 1.00 0.00 C ATOM 501 CD2 LEU A 31 -4.983 -1.284 1.700 1.00 0.00 C ATOM 0 H LEU A 31 -6.635 -3.010 5.759 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.210 -0.274 4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.870 -1.057 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.207 -2.400 4.012 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.891 0.221 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.510 0.871 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.910 0.901 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.977 -0.456 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.705 -0.608 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.227 -2.063 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.947 -1.741 1.476 1.00 0.00 H new ATOM 513 N THR A 32 -8.660 -1.063 2.908 1.00 0.00 N ATOM 514 CA THR A 32 -9.684 -1.535 2.012 1.00 0.00 C ATOM 515 C THR A 32 -9.111 -1.528 0.641 1.00 0.00 C ATOM 516 O THR A 32 -8.191 -0.769 0.371 1.00 0.00 O ATOM 517 CB THR A 32 -10.981 -0.732 2.078 1.00 0.00 C ATOM 518 OG1 THR A 32 -10.862 0.595 1.582 1.00 0.00 O ATOM 519 CG2 THR A 32 -11.415 -0.638 3.546 1.00 0.00 C ATOM 0 H THR A 32 -8.616 -0.047 2.992 1.00 0.00 H new ATOM 0 HA THR A 32 -9.974 -2.542 2.314 1.00 0.00 H new ATOM 0 HB THR A 32 -11.704 -1.253 1.450 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.727 1.049 1.653 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.341 -0.067 3.616 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.576 -1.640 3.943 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.637 -0.139 4.124 1.00 0.00 H new ATOM 527 N GLU A 33 -9.679 -2.370 -0.250 1.00 0.00 N ATOM 528 CA GLU A 33 -9.350 -2.427 -1.655 1.00 0.00 C ATOM 529 C GLU A 33 -9.919 -1.240 -2.395 1.00 0.00 C ATOM 530 O GLU A 33 -9.565 -0.992 -3.547 1.00 0.00 O ATOM 531 CB GLU A 33 -9.847 -3.733 -2.320 1.00 0.00 C ATOM 532 CG GLU A 33 -11.368 -3.958 -2.227 1.00 0.00 C ATOM 533 CD GLU A 33 -11.728 -5.295 -2.874 1.00 0.00 C ATOM 534 OE1 GLU A 33 -11.503 -5.436 -4.106 1.00 0.00 O ATOM 535 OE2 GLU A 33 -12.233 -6.191 -2.147 1.00 0.00 O ATOM 0 H GLU A 33 -10.399 -3.041 0.017 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.262 -2.405 -1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.557 -3.724 -3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.338 -4.578 -1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.684 -3.950 -1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.897 -3.146 -2.726 1.00 0.00 H new ATOM 542 N GLN A 34 -10.809 -0.469 -1.724 1.00 0.00 N ATOM 543 CA GLN A 34 -11.468 0.686 -2.268 1.00 0.00 C ATOM 544 C GLN A 34 -10.530 1.848 -2.115 1.00 0.00 C ATOM 545 O GLN A 34 -10.299 2.589 -3.063 1.00 0.00 O ATOM 546 CB GLN A 34 -12.803 0.969 -1.534 1.00 0.00 C ATOM 547 CG GLN A 34 -13.807 1.860 -2.297 1.00 0.00 C ATOM 548 CD GLN A 34 -13.332 3.312 -2.452 1.00 0.00 C ATOM 549 OE1 GLN A 34 -13.158 3.796 -3.576 1.00 0.00 O ATOM 550 NE2 GLN A 34 -13.122 4.008 -1.293 1.00 0.00 N ATOM 0 H GLN A 34 -11.079 -0.662 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.712 0.518 -3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.285 0.016 -1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.578 1.442 -0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.982 1.435 -3.285 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.762 1.851 -1.772 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.282 3.558 -0.392 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.806 4.977 -1.330 1.00 0.00 H new ATOM 559 N ARG A 35 -9.949 2.030 -0.906 1.00 0.00 N ATOM 560 CA ARG A 35 -9.093 3.155 -0.614 1.00 0.00 C ATOM 561 C ARG A 35 -7.702 2.901 -1.088 1.00 0.00 C ATOM 562 O ARG A 35 -6.962 3.845 -1.347 1.00 0.00 O ATOM 563 CB ARG A 35 -9.100 3.561 0.868 1.00 0.00 C ATOM 564 CG ARG A 35 -8.285 2.796 1.897 1.00 0.00 C ATOM 565 CD ARG A 35 -6.833 3.236 2.003 1.00 0.00 C ATOM 566 NE ARG A 35 -6.457 2.637 3.295 1.00 0.00 N ATOM 567 CZ ARG A 35 -6.044 3.341 4.389 1.00 0.00 C ATOM 568 NH1 ARG A 35 -5.935 4.696 4.323 1.00 0.00 N ATOM 569 NH2 ARG A 35 -5.789 2.686 5.558 1.00 0.00 N ATOM 0 H ARG A 35 -10.073 1.391 -0.121 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.507 4.001 -1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.776 4.601 0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.138 3.535 1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.758 2.908 2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.313 1.735 1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.226 2.859 1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.729 4.321 2.005 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.509 1.622 3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.162 5.184 3.457 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.626 5.223 5.140 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.907 1.674 5.612 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.480 3.208 6.378 1.00 0.00 H new ATOM 583 N ARG A 36 -7.347 1.604 -1.252 1.00 0.00 N ATOM 584 CA ARG A 36 -6.150 1.144 -1.940 1.00 0.00 C ATOM 585 C ARG A 36 -5.994 1.702 -3.341 1.00 0.00 C ATOM 586 O ARG A 36 -4.885 1.782 -3.869 1.00 0.00 O ATOM 587 CB ARG A 36 -6.147 -0.392 -2.070 1.00 0.00 C ATOM 588 CG ARG A 36 -4.782 -1.038 -2.364 1.00 0.00 C ATOM 589 CD ARG A 36 -4.809 -2.581 -2.410 1.00 0.00 C ATOM 590 NE ARG A 36 -5.683 -3.102 -1.296 1.00 0.00 N ATOM 591 CZ ARG A 36 -5.434 -4.203 -0.524 1.00 0.00 C ATOM 592 NH1 ARG A 36 -4.309 -4.953 -0.680 1.00 0.00 N ATOM 593 NH2 ARG A 36 -6.347 -4.553 0.431 1.00 0.00 N ATOM 0 H ARG A 36 -7.914 0.837 -0.892 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.325 1.503 -1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.537 -0.817 -1.145 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.838 -0.672 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.414 -0.664 -3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.071 -0.721 -1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.189 -2.920 -3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.798 -2.976 -2.309 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.540 -2.585 -1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.621 -4.699 -1.389 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.154 -5.769 -0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.193 -3.997 0.556 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.182 -5.370 1.019 1.00 0.00 H new ATOM 607 N GLN A 37 -7.121 2.125 -3.972 1.00 0.00 N ATOM 608 CA GLN A 37 -7.113 2.570 -5.353 1.00 0.00 C ATOM 609 C GLN A 37 -6.812 4.041 -5.415 1.00 0.00 C ATOM 610 O GLN A 37 -6.579 4.593 -6.488 1.00 0.00 O ATOM 611 CB GLN A 37 -8.435 2.273 -6.106 1.00 0.00 C ATOM 612 CG GLN A 37 -9.513 3.375 -6.058 1.00 0.00 C ATOM 613 CD GLN A 37 -10.845 2.854 -6.610 1.00 0.00 C ATOM 614 OE1 GLN A 37 -11.306 3.312 -7.661 1.00 0.00 O ATOM 615 NE2 GLN A 37 -11.468 1.879 -5.880 1.00 0.00 N ATOM 0 H GLN A 37 -8.039 2.160 -3.528 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.332 2.000 -5.857 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.196 2.074 -7.151 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.863 1.358 -5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.647 3.715 -5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.185 4.237 -6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.043 1.537 -5.018 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.358 1.494 -6.197 1.00 0.00 H new ATOM 624 N SER A 38 -6.808 4.701 -4.238 1.00 0.00 N ATOM 625 CA SER A 38 -6.528 6.106 -4.085 1.00 0.00 C ATOM 626 C SER A 38 -5.085 6.218 -3.697 1.00 0.00 C ATOM 627 O SER A 38 -4.449 7.237 -3.944 1.00 0.00 O ATOM 628 CB SER A 38 -7.409 6.750 -2.993 1.00 0.00 C ATOM 629 OG SER A 38 -7.305 8.169 -2.984 1.00 0.00 O ATOM 0 H SER A 38 -7.009 4.237 -3.352 1.00 0.00 H new ATOM 0 HA SER A 38 -6.742 6.630 -5.017 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.449 6.465 -3.153 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.118 6.360 -2.018 1.00 0.00 H new ATOM 0 HG SER A 38 -7.880 8.535 -2.279 1.00 0.00 H new ATOM 635 N LEU A 39 -4.520 5.128 -3.120 1.00 0.00 N ATOM 636 CA LEU A 39 -3.102 5.004 -2.863 1.00 0.00 C ATOM 637 C LEU A 39 -2.411 4.809 -4.187 1.00 0.00 C ATOM 638 O LEU A 39 -1.259 5.200 -4.369 1.00 0.00 O ATOM 639 CB LEU A 39 -2.743 3.790 -1.974 1.00 0.00 C ATOM 640 CG LEU A 39 -3.587 3.647 -0.687 1.00 0.00 C ATOM 641 CD1 LEU A 39 -3.103 2.455 0.150 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.686 4.909 0.184 1.00 0.00 C ATOM 0 H LEU A 39 -5.059 4.314 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.787 5.906 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.854 2.881 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.692 3.862 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.602 3.472 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.711 2.373 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.194 1.539 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.060 2.605 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.300 4.699 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.688 5.210 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.140 5.714 -0.393 1.00 0.00 H new ATOM 654 N ALA A 40 -3.158 4.216 -5.149 1.00 0.00 N ATOM 655 CA ALA A 40 -2.735 4.029 -6.513 1.00 0.00 C ATOM 656 C ALA A 40 -2.732 5.327 -7.276 1.00 0.00 C ATOM 657 O ALA A 40 -1.950 5.487 -8.206 1.00 0.00 O ATOM 658 CB ALA A 40 -3.650 3.059 -7.269 1.00 0.00 C ATOM 0 H ALA A 40 -4.094 3.853 -4.968 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.726 3.621 -6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.295 2.947 -8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.640 2.088 -6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.667 3.451 -7.279 1.00 0.00 H new ATOM 664 N GLN A 41 -3.598 6.303 -6.907 1.00 0.00 N ATOM 665 CA GLN A 41 -3.625 7.584 -7.583 1.00 0.00 C ATOM 666 C GLN A 41 -2.444 8.425 -7.175 1.00 0.00 C ATOM 667 O GLN A 41 -1.942 9.216 -7.972 1.00 0.00 O ATOM 668 CB GLN A 41 -4.898 8.408 -7.275 1.00 0.00 C ATOM 669 CG GLN A 41 -6.170 7.791 -7.876 1.00 0.00 C ATOM 670 CD GLN A 41 -7.381 8.656 -7.507 1.00 0.00 C ATOM 671 OE1 GLN A 41 -7.719 8.789 -6.324 1.00 0.00 O ATOM 672 NE2 GLN A 41 -8.040 9.252 -8.547 1.00 0.00 N ATOM 0 H GLN A 41 -4.274 6.210 -6.149 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.602 7.349 -8.647 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.017 8.493 -6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.773 9.419 -7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.076 7.721 -8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.307 6.776 -7.502 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.718 9.108 -9.504 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.853 9.840 -8.365 1.00 0.00 H new ATOM 681 N GLU A 42 -1.991 8.278 -5.908 1.00 0.00 N ATOM 682 CA GLU A 42 -1.094 9.231 -5.289 1.00 0.00 C ATOM 683 C GLU A 42 0.336 8.964 -5.595 1.00 0.00 C ATOM 684 O GLU A 42 1.061 9.861 -6.022 1.00 0.00 O ATOM 685 CB GLU A 42 -1.254 9.284 -3.753 1.00 0.00 C ATOM 686 CG GLU A 42 -2.627 9.844 -3.343 1.00 0.00 C ATOM 687 CD GLU A 42 -2.733 11.364 -3.515 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.706 12.027 -3.815 1.00 0.00 O ATOM 689 OE2 GLU A 42 -3.870 11.881 -3.338 1.00 0.00 O ATOM 0 H GLU A 42 -2.246 7.495 -5.306 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.379 10.191 -5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.131 8.283 -3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.466 9.904 -3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.402 9.362 -3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.821 9.588 -2.301 1.00 0.00 H new ATOM 696 N LEU A 43 0.770 7.705 -5.400 1.00 0.00 N ATOM 697 CA LEU A 43 2.105 7.265 -5.715 1.00 0.00 C ATOM 698 C LEU A 43 2.229 7.172 -7.207 1.00 0.00 C ATOM 699 O LEU A 43 3.300 7.372 -7.776 1.00 0.00 O ATOM 700 CB LEU A 43 2.383 5.875 -5.116 1.00 0.00 C ATOM 701 CG LEU A 43 2.130 5.805 -3.595 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.300 4.360 -3.104 1.00 0.00 C ATOM 703 CD2 LEU A 43 2.991 6.787 -2.774 1.00 0.00 C ATOM 0 H LEU A 43 0.180 6.969 -5.013 1.00 0.00 H new ATOM 0 HA LEU A 43 2.819 7.975 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.754 5.139 -5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.418 5.600 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 43 1.101 6.125 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.120 4.317 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.587 3.715 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.314 4.021 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.757 6.679 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.047 6.569 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.779 7.808 -3.090 1.00 0.00 H new ATOM 715 N GLY A 44 1.077 6.892 -7.855 1.00 0.00 N ATOM 716 CA GLY A 44 0.954 6.862 -9.291 1.00 0.00 C ATOM 717 C GLY A 44 1.193 5.463 -9.747 1.00 0.00 C ATOM 718 O GLY A 44 1.774 5.228 -10.806 1.00 0.00 O ATOM 0 H GLY A 44 0.206 6.680 -7.369 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.038 7.197 -9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.674 7.540 -9.749 1.00 0.00 H new ATOM 722 N LEU A 45 0.733 4.500 -8.920 1.00 0.00 N ATOM 723 CA LEU A 45 0.862 3.083 -9.182 1.00 0.00 C ATOM 724 C LEU A 45 -0.467 2.588 -9.681 1.00 0.00 C ATOM 725 O LEU A 45 -1.331 3.373 -10.074 1.00 0.00 O ATOM 726 CB LEU A 45 1.282 2.288 -7.918 1.00 0.00 C ATOM 727 CG LEU A 45 2.690 2.658 -7.396 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.907 2.078 -5.991 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.810 2.199 -8.350 1.00 0.00 C ATOM 0 H LEU A 45 0.257 4.707 -8.042 1.00 0.00 H new ATOM 0 HA LEU A 45 1.646 2.929 -9.923 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.552 2.465 -7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.255 1.222 -8.143 1.00 0.00 H new ATOM 0 HG LEU A 45 2.740 3.746 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.902 2.346 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.158 2.483 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.815 0.992 -6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.778 2.483 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.768 1.116 -8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.677 2.673 -9.322 1.00 0.00 H new ATOM 741 N ASN A 46 -0.650 1.248 -9.686 1.00 0.00 N ATOM 742 CA ASN A 46 -1.917 0.607 -9.939 1.00 0.00 C ATOM 743 C ASN A 46 -2.366 0.113 -8.596 1.00 0.00 C ATOM 744 O ASN A 46 -1.691 0.320 -7.590 1.00 0.00 O ATOM 745 CB ASN A 46 -1.831 -0.600 -10.910 1.00 0.00 C ATOM 746 CG ASN A 46 -1.233 -0.136 -12.246 1.00 0.00 C ATOM 747 OD1 ASN A 46 -1.833 0.690 -12.946 1.00 0.00 O ATOM 748 ND2 ASN A 46 -0.027 -0.680 -12.591 1.00 0.00 N ATOM 0 H ASN A 46 0.107 0.588 -9.508 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.595 1.316 -10.415 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.214 -1.387 -10.476 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.822 -1.024 -11.070 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.424 -0.409 -13.465 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.422 -1.357 -11.974 1.00 0.00 H new ATOM 755 N GLU A 47 -3.536 -0.562 -8.553 1.00 0.00 N ATOM 756 CA GLU A 47 -4.064 -1.182 -7.360 1.00 0.00 C ATOM 757 C GLU A 47 -3.259 -2.404 -7.047 1.00 0.00 C ATOM 758 O GLU A 47 -2.958 -2.692 -5.892 1.00 0.00 O ATOM 759 CB GLU A 47 -5.526 -1.647 -7.538 1.00 0.00 C ATOM 760 CG GLU A 47 -6.406 -0.526 -8.104 1.00 0.00 C ATOM 761 CD GLU A 47 -7.884 -0.882 -7.951 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.328 -1.094 -6.790 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.591 -0.942 -8.993 1.00 0.00 O ATOM 0 H GLU A 47 -4.135 -0.682 -9.370 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.017 -0.436 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.557 -2.508 -8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.924 -1.974 -6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.195 0.409 -7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.171 -0.366 -9.156 1.00 0.00 H new ATOM 770 N SER A 48 -2.914 -3.121 -8.137 1.00 0.00 N ATOM 771 CA SER A 48 -2.305 -4.427 -8.182 1.00 0.00 C ATOM 772 C SER A 48 -0.907 -4.443 -7.605 1.00 0.00 C ATOM 773 O SER A 48 -0.500 -5.443 -7.018 1.00 0.00 O ATOM 774 CB SER A 48 -2.259 -4.951 -9.641 1.00 0.00 C ATOM 775 OG SER A 48 -1.911 -6.331 -9.715 1.00 0.00 O ATOM 0 H SER A 48 -3.076 -2.753 -9.075 1.00 0.00 H new ATOM 0 HA SER A 48 -2.925 -5.078 -7.566 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.232 -4.799 -10.109 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.537 -4.366 -10.211 1.00 0.00 H new ATOM 0 HG SER A 48 -1.897 -6.615 -10.653 1.00 0.00 H new ATOM 781 N GLN A 49 -0.143 -3.333 -7.755 1.00 0.00 N ATOM 782 CA GLN A 49 1.222 -3.223 -7.306 1.00 0.00 C ATOM 783 C GLN A 49 1.278 -3.221 -5.805 1.00 0.00 C ATOM 784 O GLN A 49 2.081 -3.928 -5.200 1.00 0.00 O ATOM 785 CB GLN A 49 1.870 -1.903 -7.784 1.00 0.00 C ATOM 786 CG GLN A 49 1.790 -1.657 -9.301 1.00 0.00 C ATOM 787 CD GLN A 49 2.472 -2.797 -10.066 1.00 0.00 C ATOM 788 OE1 GLN A 49 3.684 -3.009 -9.927 1.00 0.00 O ATOM 789 NE2 GLN A 49 1.669 -3.537 -10.891 1.00 0.00 N ATOM 0 H GLN A 49 -0.488 -2.484 -8.204 1.00 0.00 H new ATOM 0 HA GLN A 49 1.759 -4.076 -7.721 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.389 -1.071 -7.269 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.918 -1.900 -7.484 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.747 -1.578 -9.608 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.268 -0.709 -9.547 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.676 -3.318 -10.967 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.064 -4.308 -11.430 1.00 0.00 H new ATOM 798 N ILE A 50 0.390 -2.410 -5.187 1.00 0.00 N ATOM 799 CA ILE A 50 0.338 -2.175 -3.767 1.00 0.00 C ATOM 800 C ILE A 50 -0.403 -3.308 -3.099 1.00 0.00 C ATOM 801 O ILE A 50 -0.268 -3.516 -1.898 1.00 0.00 O ATOM 802 CB ILE A 50 -0.326 -0.848 -3.407 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.109 0.220 -4.507 1.00 0.00 C ATOM 804 CG2 ILE A 50 0.264 -0.369 -2.064 1.00 0.00 C ATOM 805 CD1 ILE A 50 -0.777 1.557 -4.192 1.00 0.00 C ATOM 0 H ILE A 50 -0.325 -1.894 -5.700 1.00 0.00 H new ATOM 0 HA ILE A 50 1.367 -2.123 -3.411 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.403 -0.995 -3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.961 0.379 -4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.497 -0.158 -5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.194 0.579 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.063 -1.112 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.341 -0.235 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.586 2.259 -5.003 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.852 1.410 -4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.371 1.957 -3.263 1.00 0.00 H new ATOM 817 N LYS A 51 -1.188 -4.095 -3.879 1.00 0.00 N ATOM 818 CA LYS A 51 -1.974 -5.209 -3.396 1.00 0.00 C ATOM 819 C LYS A 51 -1.070 -6.291 -2.901 1.00 0.00 C ATOM 820 O LYS A 51 -1.233 -6.802 -1.798 1.00 0.00 O ATOM 821 CB LYS A 51 -2.871 -5.815 -4.495 1.00 0.00 C ATOM 822 CG LYS A 51 -4.014 -6.681 -3.947 1.00 0.00 C ATOM 823 CD LYS A 51 -4.939 -7.220 -5.047 1.00 0.00 C ATOM 824 CE LYS A 51 -6.097 -8.054 -4.484 1.00 0.00 C ATOM 825 NZ LYS A 51 -6.978 -8.542 -5.571 1.00 0.00 N ATOM 0 H LYS A 51 -1.279 -3.950 -4.885 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.607 -4.822 -2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.293 -5.008 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.256 -6.419 -5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.593 -7.519 -3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.602 -6.093 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.342 -6.385 -5.620 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.358 -7.830 -5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.701 -8.901 -3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.677 -7.452 -3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.753 -9.103 -5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.373 -7.731 -6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.427 -9.135 -6.224 1.00 0.00 H new ATOM 839 N ILE A 52 -0.060 -6.607 -3.740 1.00 0.00 N ATOM 840 CA ILE A 52 1.009 -7.541 -3.527 1.00 0.00 C ATOM 841 C ILE A 52 1.814 -7.136 -2.322 1.00 0.00 C ATOM 842 O ILE A 52 2.123 -7.969 -1.473 1.00 0.00 O ATOM 843 CB ILE A 52 1.851 -7.583 -4.797 1.00 0.00 C ATOM 844 CG1 ILE A 52 1.056 -8.308 -5.912 1.00 0.00 C ATOM 845 CG2 ILE A 52 3.227 -8.220 -4.534 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.697 -8.209 -7.301 1.00 0.00 C ATOM 0 H ILE A 52 0.012 -6.164 -4.656 1.00 0.00 H new ATOM 0 HA ILE A 52 0.625 -8.541 -3.325 1.00 0.00 H new ATOM 0 HB ILE A 52 2.055 -6.567 -5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.953 -9.360 -5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.050 -7.890 -5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.804 -8.235 -5.459 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.760 -7.637 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.093 -9.240 -4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.080 -8.742 -8.025 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.775 -7.161 -7.592 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.692 -8.654 -7.275 1.00 0.00 H new ATOM 858 N TRP A 53 2.135 -5.829 -2.227 1.00 0.00 N ATOM 859 CA TRP A 53 2.895 -5.223 -1.154 1.00 0.00 C ATOM 860 C TRP A 53 2.234 -5.397 0.192 1.00 0.00 C ATOM 861 O TRP A 53 2.917 -5.694 1.166 1.00 0.00 O ATOM 862 CB TRP A 53 3.146 -3.712 -1.427 1.00 0.00 C ATOM 863 CG TRP A 53 4.211 -3.037 -0.575 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.529 -2.820 -0.864 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.997 -2.507 0.747 1.00 0.00 C ATOM 866 NE1 TRP A 53 6.155 -2.197 0.190 1.00 0.00 N ATOM 867 CE2 TRP A 53 5.235 -2.002 1.196 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.863 -2.440 1.549 1.00 0.00 C ATOM 869 CZ2 TRP A 53 5.360 -1.435 2.460 1.00 0.00 C ATOM 870 CZ3 TRP A 53 3.000 -1.918 2.841 1.00 0.00 C ATOM 871 CH2 TRP A 53 4.233 -1.433 3.292 1.00 0.00 C ATOM 0 H TRP A 53 1.851 -5.152 -2.935 1.00 0.00 H new ATOM 0 HA TRP A 53 3.851 -5.745 -1.124 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.423 -3.596 -2.475 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.206 -3.179 -1.285 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.011 -3.099 -1.790 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.137 -1.925 0.221 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.905 -2.781 1.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 6.296 -1.010 2.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.143 -1.889 3.498 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.317 -1.051 4.299 1.00 0.00 H new ATOM 882 N PHE A 54 0.891 -5.231 0.285 1.00 0.00 N ATOM 883 CA PHE A 54 0.162 -5.333 1.524 1.00 0.00 C ATOM 884 C PHE A 54 -0.001 -6.771 1.931 1.00 0.00 C ATOM 885 O PHE A 54 -0.045 -7.057 3.122 1.00 0.00 O ATOM 886 CB PHE A 54 -1.251 -4.702 1.429 1.00 0.00 C ATOM 887 CG PHE A 54 -1.194 -3.195 1.435 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.541 -2.503 2.473 1.00 0.00 C ATOM 889 CD2 PHE A 54 -1.825 -2.447 0.426 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.465 -1.105 2.463 1.00 0.00 C ATOM 891 CE2 PHE A 54 -1.770 -1.050 0.429 1.00 0.00 C ATOM 892 CZ PHE A 54 -1.072 -0.379 1.436 1.00 0.00 C ATOM 0 H PHE A 54 0.300 -5.021 -0.519 1.00 0.00 H new ATOM 0 HA PHE A 54 0.747 -4.788 2.264 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.741 -5.043 0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.859 -5.046 2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.094 -3.057 3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.359 -2.958 -0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.063 -0.588 3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.268 -0.489 -0.348 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.002 0.699 1.420 1.00 0.00 H new ATOM 902 N GLN A 55 -0.065 -7.713 0.960 1.00 0.00 N ATOM 903 CA GLN A 55 -0.191 -9.128 1.214 1.00 0.00 C ATOM 904 C GLN A 55 1.110 -9.722 1.689 1.00 0.00 C ATOM 905 O GLN A 55 1.109 -10.773 2.329 1.00 0.00 O ATOM 906 CB GLN A 55 -0.662 -9.881 -0.049 1.00 0.00 C ATOM 907 CG GLN A 55 -2.149 -9.631 -0.357 1.00 0.00 C ATOM 908 CD GLN A 55 -2.550 -10.342 -1.656 1.00 0.00 C ATOM 909 OE1 GLN A 55 -3.331 -11.301 -1.631 1.00 0.00 O ATOM 910 NE2 GLN A 55 -2.004 -9.848 -2.810 1.00 0.00 N ATOM 0 H GLN A 55 -0.028 -7.484 -0.033 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.938 -9.242 1.999 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.059 -9.569 -0.902 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.496 -10.950 0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.764 -9.991 0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.334 -8.561 -0.448 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.365 -9.054 -2.773 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.236 -10.274 -3.707 1.00 0.00 H new ATOM 919 N ASN A 56 2.249 -9.041 1.414 1.00 0.00 N ATOM 920 CA ASN A 56 3.560 -9.410 1.888 1.00 0.00 C ATOM 921 C ASN A 56 3.665 -9.080 3.351 1.00 0.00 C ATOM 922 O ASN A 56 4.161 -9.888 4.131 1.00 0.00 O ATOM 923 CB ASN A 56 4.681 -8.637 1.154 1.00 0.00 C ATOM 924 CG ASN A 56 4.797 -9.087 -0.309 1.00 0.00 C ATOM 925 OD1 ASN A 56 4.336 -10.170 -0.693 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.440 -8.212 -1.144 1.00 0.00 N ATOM 0 H ASN A 56 2.257 -8.199 0.838 1.00 0.00 H new ATOM 0 HA ASN A 56 3.685 -10.477 1.702 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.475 -7.567 1.193 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.631 -8.798 1.663 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.556 -8.441 -2.131 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.802 -7.331 -0.779 1.00 0.00 H new ATOM 933 N LYS A 57 3.169 -7.884 3.755 1.00 0.00 N ATOM 934 CA LYS A 57 3.122 -7.432 5.138 1.00 0.00 C ATOM 935 C LYS A 57 2.259 -8.305 6.006 1.00 0.00 C ATOM 936 O LYS A 57 2.574 -8.554 7.168 1.00 0.00 O ATOM 937 CB LYS A 57 2.535 -6.007 5.281 1.00 0.00 C ATOM 938 CG LYS A 57 3.310 -4.910 4.542 1.00 0.00 C ATOM 939 CD LYS A 57 4.788 -4.804 4.944 1.00 0.00 C ATOM 940 CE LYS A 57 5.030 -4.343 6.390 1.00 0.00 C ATOM 941 NZ LYS A 57 4.469 -2.990 6.630 1.00 0.00 N ATOM 0 H LYS A 57 2.785 -7.202 3.100 1.00 0.00 H new ATOM 0 HA LYS A 57 4.164 -7.465 5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.508 -6.015 4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.494 -5.752 6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.249 -5.097 3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.825 -3.951 4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.259 -5.777 4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.285 -4.109 4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.576 -5.054 7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.100 -4.336 6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.116 -2.448 7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.352 -2.497 5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.545 -3.076 7.099 1.00 0.00 H new