USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=8 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 46 LYS NZ :NH3+ 168:sc= -0.0272 (180deg=-0.144) USER MOD Set 1.2: A 50 GLN : amide:sc=-0.00658 X(o=-0.034,f=-0.14) USER MOD Set 2.1: A 35 SER OG : rot -63:sc= 0.944 USER MOD Set 2.2: A 36 SER OG : rot 85:sc= 1.21 USER MOD Set 3.1: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 52 LYS NZ :NH3+ -162:sc= -0.0338 (180deg=-0.351) USER MOD Single : A 9 SER OG : rot 180:sc= -1.05 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.15 K(o=-0.15,f=1.3) USER MOD Single : A 21 ASN : amide:sc= -0.404 X(o=-0.4,f=-0.075) USER MOD Single : A 23 ASN : amide:sc= -3.13 K(o=-3.1,f=-2.1!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0681 USER MOD Single : A 32 GLN : amide:sc= -0.537 K(o=-0.54,f=-1.4) USER MOD Single : A 33 GLN : amide:sc= -0.875 K(o=-0.88,f=-0.19) USER MOD Single : A 41 ASN : amide:sc= -0.185 K(o=-0.19,f=-4.5!) USER MOD Single : A 44 GLN : amide:sc= -0.85 K(o=-0.85,f=-0.034) USER MOD Single : A 51 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.105 -7.318 3.235 1.00 0.00 N ATOM 176 CA SER A 9 -8.960 -8.301 2.579 1.00 0.00 C ATOM 177 C SER A 9 -8.568 -8.471 1.118 1.00 0.00 C ATOM 178 O SER A 9 -7.998 -7.566 0.515 1.00 0.00 O ATOM 179 CB SER A 9 -10.425 -7.869 2.671 1.00 0.00 C ATOM 180 OG SER A 9 -10.794 -7.073 1.553 1.00 0.00 O ATOM 0 HA SER A 9 -8.831 -9.256 3.088 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.065 -8.750 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.585 -7.306 3.591 1.00 0.00 H new ATOM 0 HG SER A 9 -11.735 -6.811 1.634 1.00 0.00 H new ATOM 186 N SER A 10 -8.887 -9.626 0.548 1.00 0.00 N ATOM 187 CA SER A 10 -8.574 -9.896 -0.851 1.00 0.00 C ATOM 188 C SER A 10 -9.124 -8.789 -1.745 1.00 0.00 C ATOM 189 O SER A 10 -8.486 -8.387 -2.719 1.00 0.00 O ATOM 190 CB SER A 10 -9.153 -11.245 -1.275 1.00 0.00 C ATOM 191 OG SER A 10 -9.199 -11.362 -2.686 1.00 0.00 O ATOM 0 H SER A 10 -9.361 -10.389 1.031 1.00 0.00 H new ATOM 0 HA SER A 10 -7.490 -9.928 -0.960 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.547 -12.050 -0.860 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.157 -11.358 -0.865 1.00 0.00 H new ATOM 0 HG SER A 10 -9.572 -12.235 -2.930 1.00 0.00 H new ATOM 197 N GLU A 11 -10.309 -8.296 -1.401 1.00 0.00 N ATOM 198 CA GLU A 11 -10.945 -7.229 -2.164 1.00 0.00 C ATOM 199 C GLU A 11 -10.079 -5.975 -2.131 1.00 0.00 C ATOM 200 O GLU A 11 -9.787 -5.378 -3.170 1.00 0.00 O ATOM 201 CB GLU A 11 -12.335 -6.926 -1.601 1.00 0.00 C ATOM 202 CG GLU A 11 -13.464 -7.230 -2.572 1.00 0.00 C ATOM 203 CD GLU A 11 -14.559 -6.182 -2.539 1.00 0.00 C ATOM 204 OE1 GLU A 11 -15.050 -5.871 -1.434 1.00 0.00 O ATOM 205 OE2 GLU A 11 -14.925 -5.672 -3.619 1.00 0.00 O ATOM 0 H GLU A 11 -10.849 -8.619 -0.598 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.054 -7.556 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.484 -7.507 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.382 -5.874 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.061 -7.297 -3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.891 -8.204 -2.334 1.00 0.00 H new ATOM 212 N GLN A 12 -9.655 -5.591 -0.931 1.00 0.00 N ATOM 213 CA GLN A 12 -8.804 -4.419 -0.770 1.00 0.00 C ATOM 214 C GLN A 12 -7.444 -4.678 -1.408 1.00 0.00 C ATOM 215 O GLN A 12 -6.805 -3.768 -1.936 1.00 0.00 O ATOM 216 CB GLN A 12 -8.634 -4.076 0.714 1.00 0.00 C ATOM 217 CG GLN A 12 -9.944 -4.018 1.483 1.00 0.00 C ATOM 218 CD GLN A 12 -9.739 -3.850 2.976 1.00 0.00 C ATOM 219 OE1 GLN A 12 -9.131 -4.698 3.629 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.250 -2.753 3.525 1.00 0.00 N ATOM 0 H GLN A 12 -9.885 -6.071 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.277 -3.572 -1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.984 -4.818 1.177 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.130 -3.113 0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.545 -3.190 1.107 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.510 -4.931 1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.747 -2.076 2.945 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.146 -2.588 4.526 1.00 0.00 H new ATOM 229 N LEU A 13 -7.023 -5.938 -1.364 1.00 0.00 N ATOM 230 CA LEU A 13 -5.752 -6.353 -1.942 1.00 0.00 C ATOM 231 C LEU A 13 -5.762 -6.136 -3.449 1.00 0.00 C ATOM 232 O LEU A 13 -4.836 -5.554 -4.012 1.00 0.00 O ATOM 233 CB LEU A 13 -5.498 -7.833 -1.631 1.00 0.00 C ATOM 234 CG LEU A 13 -4.696 -8.121 -0.355 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.213 -7.904 -0.599 1.00 0.00 C ATOM 236 CD2 LEU A 13 -5.177 -7.260 0.806 1.00 0.00 C ATOM 0 H LEU A 13 -7.550 -6.695 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.954 -5.752 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.461 -8.339 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.972 -8.277 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.857 -9.165 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.659 -8.113 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.873 -8.573 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.041 -6.870 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.589 -7.487 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.058 -6.207 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.229 -7.469 1.003 1.00 0.00 H new ATOM 248 N ALA A 14 -6.825 -6.609 -4.094 1.00 0.00 N ATOM 249 CA ALA A 14 -6.970 -6.469 -5.536 1.00 0.00 C ATOM 250 C ALA A 14 -7.017 -5.001 -5.936 1.00 0.00 C ATOM 251 O ALA A 14 -6.387 -4.593 -6.912 1.00 0.00 O ATOM 252 CB ALA A 14 -8.222 -7.190 -6.014 1.00 0.00 C ATOM 0 H ALA A 14 -7.599 -7.093 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.101 -6.923 -6.012 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.317 -7.077 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.149 -8.249 -5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.097 -6.762 -5.526 1.00 0.00 H new ATOM 258 N ARG A 15 -7.760 -4.207 -5.171 1.00 0.00 N ATOM 259 CA ARG A 15 -7.879 -2.782 -5.446 1.00 0.00 C ATOM 260 C ARG A 15 -6.525 -2.098 -5.306 1.00 0.00 C ATOM 261 O ARG A 15 -6.089 -1.366 -6.197 1.00 0.00 O ATOM 262 CB ARG A 15 -8.891 -2.140 -4.496 1.00 0.00 C ATOM 263 CG ARG A 15 -10.335 -2.351 -4.917 1.00 0.00 C ATOM 264 CD ARG A 15 -11.272 -2.338 -3.721 1.00 0.00 C ATOM 265 NE ARG A 15 -12.577 -2.913 -4.047 1.00 0.00 N ATOM 266 CZ ARG A 15 -13.738 -2.425 -3.613 1.00 0.00 C ATOM 267 NH1 ARG A 15 -13.771 -1.357 -2.824 1.00 0.00 N ATOM 268 NH2 ARG A 15 -14.874 -3.011 -3.968 1.00 0.00 N ATOM 0 H ARG A 15 -8.287 -4.527 -4.358 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.230 -2.657 -6.470 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.749 -2.549 -3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.691 -1.070 -4.434 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.628 -1.570 -5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.427 -3.302 -5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.823 -2.898 -2.901 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.403 -1.313 -3.373 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.599 -3.740 -4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.902 -0.902 -2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.666 -0.992 -2.497 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.857 -3.833 -4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.765 -2.640 -3.637 1.00 0.00 H new ATOM 282 N LEU A 16 -5.860 -2.351 -4.184 1.00 0.00 N ATOM 283 CA LEU A 16 -4.550 -1.768 -3.928 1.00 0.00 C ATOM 284 C LEU A 16 -3.553 -2.208 -4.995 1.00 0.00 C ATOM 285 O LEU A 16 -2.797 -1.395 -5.527 1.00 0.00 O ATOM 286 CB LEU A 16 -4.048 -2.174 -2.541 1.00 0.00 C ATOM 287 CG LEU A 16 -4.779 -1.516 -1.370 1.00 0.00 C ATOM 288 CD1 LEU A 16 -4.745 -2.418 -0.146 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.163 -0.162 -1.054 1.00 0.00 C ATOM 0 H LEU A 16 -6.207 -2.955 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.644 -0.683 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.135 -3.256 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.988 -1.932 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.820 -1.363 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.270 -1.934 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.231 -3.366 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.710 -2.602 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.694 0.293 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.114 -0.293 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.239 0.485 -1.928 1.00 0.00 H new ATOM 301 N LYS A 17 -3.565 -3.499 -5.310 1.00 0.00 N ATOM 302 CA LYS A 17 -2.669 -4.046 -6.322 1.00 0.00 C ATOM 303 C LYS A 17 -2.964 -3.430 -7.685 1.00 0.00 C ATOM 304 O LYS A 17 -2.049 -3.149 -8.461 1.00 0.00 O ATOM 305 CB LYS A 17 -2.809 -5.568 -6.394 1.00 0.00 C ATOM 306 CG LYS A 17 -1.509 -6.284 -6.725 1.00 0.00 C ATOM 307 CD LYS A 17 -1.611 -7.775 -6.449 1.00 0.00 C ATOM 308 CE LYS A 17 -1.058 -8.128 -5.077 1.00 0.00 C ATOM 309 NZ LYS A 17 -0.293 -9.405 -5.098 1.00 0.00 N ATOM 0 H LYS A 17 -4.185 -4.185 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.645 -3.801 -6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.183 -5.936 -5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.555 -5.821 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.260 -6.123 -7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.697 -5.858 -6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.653 -8.087 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.065 -8.326 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.411 -7.323 -4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.879 -8.208 -4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.067 -9.610 -4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.917 -10.178 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.506 -9.320 -5.759 1.00 0.00 H new ATOM 323 N ARG A 18 -4.245 -3.216 -7.967 1.00 0.00 N ATOM 324 CA ARG A 18 -4.658 -2.624 -9.234 1.00 0.00 C ATOM 325 C ARG A 18 -4.054 -1.234 -9.391 1.00 0.00 C ATOM 326 O ARG A 18 -3.546 -0.882 -10.457 1.00 0.00 O ATOM 327 CB ARG A 18 -6.185 -2.548 -9.318 1.00 0.00 C ATOM 328 CG ARG A 18 -6.765 -3.281 -10.516 1.00 0.00 C ATOM 329 CD ARG A 18 -8.245 -3.575 -10.331 1.00 0.00 C ATOM 330 NE ARG A 18 -9.085 -2.652 -11.090 1.00 0.00 N ATOM 331 CZ ARG A 18 -10.336 -2.918 -11.461 1.00 0.00 C ATOM 332 NH1 ARG A 18 -10.899 -4.076 -11.140 1.00 0.00 N ATOM 333 NH2 ARG A 18 -11.026 -2.023 -12.154 1.00 0.00 N ATOM 0 H ARG A 18 -5.014 -3.443 -7.336 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.296 -3.257 -10.044 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.612 -2.965 -8.406 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.487 -1.501 -9.362 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.623 -2.680 -11.414 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.224 -4.215 -10.668 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.454 -4.598 -10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.498 -3.509 -9.273 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.689 -1.749 -11.352 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.373 -4.768 -10.606 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.858 -4.274 -11.427 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.599 -1.131 -12.403 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.984 -2.226 -12.438 1.00 0.00 H new ATOM 347 N GLU A 19 -4.106 -0.450 -8.320 1.00 0.00 N ATOM 348 CA GLU A 19 -3.556 0.899 -8.333 1.00 0.00 C ATOM 349 C GLU A 19 -2.034 0.857 -8.427 1.00 0.00 C ATOM 350 O GLU A 19 -1.416 1.715 -9.057 1.00 0.00 O ATOM 351 CB GLU A 19 -3.981 1.661 -7.077 1.00 0.00 C ATOM 352 CG GLU A 19 -5.333 2.342 -7.205 1.00 0.00 C ATOM 353 CD GLU A 19 -5.348 3.409 -8.283 1.00 0.00 C ATOM 354 OE1 GLU A 19 -4.397 4.218 -8.330 1.00 0.00 O ATOM 355 OE2 GLU A 19 -6.310 3.434 -9.080 1.00 0.00 O ATOM 0 H GLU A 19 -4.524 -0.726 -7.432 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.946 1.418 -9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.011 0.969 -6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.226 2.412 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.093 1.594 -7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.601 2.792 -6.249 1.00 0.00 H new ATOM 362 N PHE A 20 -1.439 -0.152 -7.798 1.00 0.00 N ATOM 363 CA PHE A 20 0.010 -0.314 -7.810 1.00 0.00 C ATOM 364 C PHE A 20 0.511 -0.605 -9.221 1.00 0.00 C ATOM 365 O PHE A 20 1.591 -0.162 -9.611 1.00 0.00 O ATOM 366 CB PHE A 20 0.424 -1.445 -6.866 1.00 0.00 C ATOM 367 CG PHE A 20 1.898 -1.478 -6.577 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.788 -1.994 -7.506 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.393 -0.996 -5.376 1.00 0.00 C ATOM 370 CE1 PHE A 20 4.144 -2.028 -7.242 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.748 -1.027 -5.107 1.00 0.00 C ATOM 372 CZ PHE A 20 4.624 -1.543 -6.041 1.00 0.00 C ATOM 0 H PHE A 20 -1.939 -0.870 -7.273 1.00 0.00 H new ATOM 0 HA PHE A 20 0.460 0.618 -7.468 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.120 -1.341 -5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.126 -2.398 -7.302 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.417 -2.374 -8.447 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.712 -0.591 -4.642 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.827 -2.433 -7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.121 -0.648 -4.167 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.683 -1.567 -5.833 1.00 0.00 H new ATOM 382 N ASN A 21 -0.282 -1.353 -9.982 1.00 0.00 N ATOM 383 CA ASN A 21 0.080 -1.702 -11.350 1.00 0.00 C ATOM 384 C ASN A 21 0.186 -0.453 -12.218 1.00 0.00 C ATOM 385 O ASN A 21 0.989 -0.398 -13.150 1.00 0.00 O ATOM 386 CB ASN A 21 -0.952 -2.664 -11.944 1.00 0.00 C ATOM 387 CG ASN A 21 -0.572 -4.117 -11.736 1.00 0.00 C ATOM 388 OD1 ASN A 21 -1.366 -4.914 -11.237 1.00 0.00 O ATOM 389 ND2 ASN A 21 0.651 -4.470 -12.119 1.00 0.00 N ATOM 0 H ASN A 21 -1.179 -1.729 -9.674 1.00 0.00 H new ATOM 0 HA ASN A 21 1.053 -2.193 -11.329 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.924 -2.476 -11.489 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.057 -2.467 -13.011 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.963 -5.434 -12.004 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.277 -3.777 -12.528 1.00 0.00 H new ATOM 396 N GLU A 22 -0.624 0.552 -11.901 1.00 0.00 N ATOM 397 CA GLU A 22 -0.618 1.804 -12.646 1.00 0.00 C ATOM 398 C GLU A 22 0.494 2.718 -12.143 1.00 0.00 C ATOM 399 O GLU A 22 1.091 3.471 -12.912 1.00 0.00 O ATOM 400 CB GLU A 22 -1.970 2.506 -12.514 1.00 0.00 C ATOM 401 CG GLU A 22 -3.154 1.611 -12.835 1.00 0.00 C ATOM 402 CD GLU A 22 -4.395 2.398 -13.214 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.281 3.319 -14.049 1.00 0.00 O ATOM 404 OE2 GLU A 22 -5.479 2.093 -12.674 1.00 0.00 O ATOM 0 H GLU A 22 -1.293 0.523 -11.132 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.438 1.578 -13.697 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.076 2.884 -11.497 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.988 3.370 -13.178 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.888 0.943 -13.654 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.376 0.984 -11.971 1.00 0.00 H new ATOM 411 N ASN A 23 0.766 2.640 -10.846 1.00 0.00 N ATOM 412 CA ASN A 23 1.807 3.451 -10.228 1.00 0.00 C ATOM 413 C ASN A 23 2.290 2.806 -8.933 1.00 0.00 C ATOM 414 O ASN A 23 1.502 2.564 -8.019 1.00 0.00 O ATOM 415 CB ASN A 23 1.290 4.865 -9.954 1.00 0.00 C ATOM 416 CG ASN A 23 0.167 4.889 -8.936 1.00 0.00 C ATOM 417 OD1 ASN A 23 0.332 5.389 -7.823 1.00 0.00 O ATOM 418 ND2 ASN A 23 -0.986 4.345 -9.312 1.00 0.00 N ATOM 0 H ASN A 23 0.277 2.020 -10.200 1.00 0.00 H new ATOM 0 HA ASN A 23 2.648 3.514 -10.919 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.112 5.485 -9.597 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.939 5.307 -10.887 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.777 4.331 -8.668 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.080 3.942 -10.244 1.00 0.00 H new ATOM 425 N ARG A 24 3.587 2.524 -8.865 1.00 0.00 N ATOM 426 CA ARG A 24 4.175 1.900 -7.683 1.00 0.00 C ATOM 427 C ARG A 24 4.272 2.880 -6.512 1.00 0.00 C ATOM 428 O ARG A 24 4.676 2.502 -5.412 1.00 0.00 O ATOM 429 CB ARG A 24 5.561 1.345 -8.016 1.00 0.00 C ATOM 430 CG ARG A 24 5.563 0.386 -9.195 1.00 0.00 C ATOM 431 CD ARG A 24 6.896 -0.333 -9.329 1.00 0.00 C ATOM 432 NE ARG A 24 6.743 -1.671 -9.897 1.00 0.00 N ATOM 433 CZ ARG A 24 6.552 -1.909 -11.193 1.00 0.00 C ATOM 434 NH1 ARG A 24 6.489 -0.904 -12.058 1.00 0.00 N ATOM 435 NH2 ARG A 24 6.423 -3.157 -11.625 1.00 0.00 N ATOM 0 H ARG A 24 4.252 2.717 -9.614 1.00 0.00 H new ATOM 0 HA ARG A 24 3.519 1.084 -7.380 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.234 2.175 -8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.958 0.832 -7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.765 -0.346 -9.071 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.351 0.936 -10.112 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.563 0.255 -9.960 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.368 -0.407 -8.349 1.00 0.00 H new ATOM 0 HE ARG A 24 6.785 -2.469 -9.263 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.587 0.057 -11.731 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.343 -1.093 -13.050 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.470 -3.933 -10.964 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.277 -3.341 -12.618 1.00 0.00 H new ATOM 449 N TYR A 25 3.899 4.136 -6.747 1.00 0.00 N ATOM 450 CA TYR A 25 3.945 5.153 -5.705 1.00 0.00 C ATOM 451 C TYR A 25 2.535 5.560 -5.292 1.00 0.00 C ATOM 452 O TYR A 25 1.556 4.931 -5.692 1.00 0.00 O ATOM 453 CB TYR A 25 4.720 6.379 -6.190 1.00 0.00 C ATOM 454 CG TYR A 25 6.047 6.043 -6.834 1.00 0.00 C ATOM 455 CD1 TYR A 25 6.918 5.136 -6.242 1.00 0.00 C ATOM 456 CD2 TYR A 25 6.428 6.632 -8.033 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.131 4.828 -6.827 1.00 0.00 C ATOM 458 CE2 TYR A 25 7.640 6.329 -8.623 1.00 0.00 C ATOM 459 CZ TYR A 25 8.487 5.427 -8.018 1.00 0.00 C ATOM 460 OH TYR A 25 9.695 5.122 -8.602 1.00 0.00 O ATOM 0 H TYR A 25 3.562 4.471 -7.650 1.00 0.00 H new ATOM 0 HA TYR A 25 4.456 4.732 -4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.107 6.926 -6.906 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.894 7.045 -5.345 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.642 4.665 -5.310 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.766 7.338 -8.512 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.798 4.122 -6.354 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.922 6.797 -9.554 1.00 0.00 H new ATOM 0 HH TYR A 25 9.792 5.628 -9.436 1.00 0.00 H new ATOM 470 N LEU A 26 2.438 6.613 -4.491 1.00 0.00 N ATOM 471 CA LEU A 26 1.142 7.097 -4.029 1.00 0.00 C ATOM 472 C LEU A 26 1.169 8.602 -3.794 1.00 0.00 C ATOM 473 O LEU A 26 2.062 9.124 -3.127 1.00 0.00 O ATOM 474 CB LEU A 26 0.735 6.386 -2.733 1.00 0.00 C ATOM 475 CG LEU A 26 -0.214 5.188 -2.881 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.918 4.923 -1.561 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.246 5.423 -3.973 1.00 0.00 C ATOM 0 H LEU A 26 3.237 7.147 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 26 0.411 6.878 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.641 6.045 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.263 7.117 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 26 0.383 4.321 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.590 4.072 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.178 4.703 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.492 5.803 -1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.900 4.554 -4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.840 6.304 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.739 5.580 -4.925 1.00 0.00 H new ATOM 489 N THR A 27 0.169 9.290 -4.333 1.00 0.00 N ATOM 490 CA THR A 27 0.058 10.733 -4.169 1.00 0.00 C ATOM 491 C THR A 27 -0.829 11.052 -2.974 1.00 0.00 C ATOM 492 O THR A 27 -1.551 10.187 -2.483 1.00 0.00 O ATOM 493 CB THR A 27 -0.525 11.371 -5.431 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.936 11.201 -5.472 1.00 0.00 O ATOM 495 CG2 THR A 27 0.057 10.807 -6.713 1.00 0.00 C ATOM 0 H THR A 27 -0.577 8.870 -4.888 1.00 0.00 H new ATOM 0 HA THR A 27 1.054 11.141 -3.998 1.00 0.00 H new ATOM 0 HB THR A 27 -0.261 12.427 -5.374 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.292 11.617 -6.285 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.400 11.303 -7.569 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.134 10.975 -6.728 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.144 9.737 -6.764 1.00 0.00 H new ATOM 503 N GLU A 28 -0.783 12.296 -2.511 1.00 0.00 N ATOM 504 CA GLU A 28 -1.603 12.706 -1.378 1.00 0.00 C ATOM 505 C GLU A 28 -3.075 12.427 -1.665 1.00 0.00 C ATOM 506 O GLU A 28 -3.776 11.819 -0.855 1.00 0.00 O ATOM 507 CB GLU A 28 -1.395 14.194 -1.082 1.00 0.00 C ATOM 508 CG GLU A 28 -0.706 14.460 0.248 1.00 0.00 C ATOM 509 CD GLU A 28 -1.481 15.423 1.125 1.00 0.00 C ATOM 510 OE1 GLU A 28 -2.594 15.064 1.562 1.00 0.00 O ATOM 511 OE2 GLU A 28 -0.974 16.538 1.375 1.00 0.00 O ATOM 0 H GLU A 28 -0.192 13.032 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.301 12.131 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.803 14.636 -1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.363 14.696 -1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.574 13.517 0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.289 14.864 0.063 1.00 0.00 H new ATOM 518 N ARG A 29 -3.528 12.870 -2.831 1.00 0.00 N ATOM 519 CA ARG A 29 -4.909 12.669 -3.251 1.00 0.00 C ATOM 520 C ARG A 29 -5.258 11.184 -3.302 1.00 0.00 C ATOM 521 O ARG A 29 -6.366 10.783 -2.946 1.00 0.00 O ATOM 522 CB ARG A 29 -5.133 13.299 -4.627 1.00 0.00 C ATOM 523 CG ARG A 29 -6.037 14.519 -4.597 1.00 0.00 C ATOM 524 CD ARG A 29 -7.493 14.137 -4.811 1.00 0.00 C ATOM 525 NE ARG A 29 -8.400 15.238 -4.494 1.00 0.00 N ATOM 526 CZ ARG A 29 -9.665 15.075 -4.114 1.00 0.00 C ATOM 527 NH1 ARG A 29 -10.184 13.858 -4.005 1.00 0.00 N ATOM 528 NH2 ARG A 29 -10.417 16.134 -3.844 1.00 0.00 N ATOM 0 H ARG A 29 -2.954 13.374 -3.507 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.559 13.149 -2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.169 13.582 -5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.566 12.553 -5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.930 15.029 -3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.727 15.223 -5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.640 13.834 -5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.737 13.276 -4.189 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.042 16.190 -4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.612 13.039 -4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.154 13.742 -3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.026 17.072 -3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.387 16.010 -3.553 1.00 0.00 H new ATOM 542 N ARG A 30 -4.309 10.375 -3.762 1.00 0.00 N ATOM 543 CA ARG A 30 -4.517 8.936 -3.878 1.00 0.00 C ATOM 544 C ARG A 30 -4.593 8.276 -2.507 1.00 0.00 C ATOM 545 O ARG A 30 -5.505 7.495 -2.235 1.00 0.00 O ATOM 546 CB ARG A 30 -3.389 8.309 -4.697 1.00 0.00 C ATOM 547 CG ARG A 30 -3.807 7.062 -5.458 1.00 0.00 C ATOM 548 CD ARG A 30 -4.231 7.392 -6.880 1.00 0.00 C ATOM 549 NE ARG A 30 -5.664 7.193 -7.084 1.00 0.00 N ATOM 550 CZ ARG A 30 -6.308 7.528 -8.199 1.00 0.00 C ATOM 551 NH1 ARG A 30 -5.653 8.083 -9.212 1.00 0.00 N ATOM 552 NH2 ARG A 30 -7.612 7.309 -8.303 1.00 0.00 N ATOM 0 H ARG A 30 -3.387 10.692 -4.061 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.468 8.772 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.013 9.047 -5.405 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.564 8.058 -4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.979 6.353 -5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.630 6.575 -4.936 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.973 8.427 -7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.675 6.767 -7.578 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.203 6.772 -6.327 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.650 8.255 -9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.153 8.337 -10.064 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.121 6.884 -7.528 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.106 7.566 -9.158 1.00 0.00 H new ATOM 566 N ARG A 31 -3.632 8.590 -1.647 1.00 0.00 N ATOM 567 CA ARG A 31 -3.596 8.021 -0.306 1.00 0.00 C ATOM 568 C ARG A 31 -4.850 8.403 0.473 1.00 0.00 C ATOM 569 O ARG A 31 -5.458 7.567 1.142 1.00 0.00 O ATOM 570 CB ARG A 31 -2.350 8.502 0.441 1.00 0.00 C ATOM 571 CG ARG A 31 -1.945 7.599 1.595 1.00 0.00 C ATOM 572 CD ARG A 31 -0.482 7.792 1.967 1.00 0.00 C ATOM 573 NE ARG A 31 -0.324 8.252 3.346 1.00 0.00 N ATOM 574 CZ ARG A 31 0.597 9.131 3.739 1.00 0.00 C ATOM 575 NH1 ARG A 31 1.461 9.641 2.869 1.00 0.00 N ATOM 576 NH2 ARG A 31 0.657 9.500 5.011 1.00 0.00 N ATOM 0 H ARG A 31 -2.869 9.234 -1.854 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.559 6.935 -0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.520 8.573 -0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.531 9.507 0.823 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.573 7.810 2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.118 6.558 1.322 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.053 6.851 1.835 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.028 8.515 1.289 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.958 7.877 4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.424 9.361 1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.162 10.313 3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.001 9.111 5.686 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.361 10.173 5.314 1.00 0.00 H new ATOM 590 N GLN A 32 -5.230 9.674 0.380 1.00 0.00 N ATOM 591 CA GLN A 32 -6.412 10.174 1.074 1.00 0.00 C ATOM 592 C GLN A 32 -7.685 9.564 0.492 1.00 0.00 C ATOM 593 O GLN A 32 -8.613 9.214 1.225 1.00 0.00 O ATOM 594 CB GLN A 32 -6.468 11.703 0.987 1.00 0.00 C ATOM 595 CG GLN A 32 -6.884 12.232 -0.377 1.00 0.00 C ATOM 596 CD GLN A 32 -7.099 13.733 -0.380 1.00 0.00 C ATOM 597 OE1 GLN A 32 -6.191 14.501 -0.692 1.00 0.00 O ATOM 598 NE2 GLN A 32 -8.309 14.157 -0.031 1.00 0.00 N ATOM 0 H GLN A 32 -4.736 10.377 -0.170 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.343 9.881 2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.167 12.074 1.737 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.487 12.107 1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.119 11.977 -1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.803 11.736 -0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.033 13.483 0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.514 15.156 -0.015 1.00 0.00 H new ATOM 607 N GLN A 33 -7.723 9.439 -0.832 1.00 0.00 N ATOM 608 CA GLN A 33 -8.880 8.871 -1.513 1.00 0.00 C ATOM 609 C GLN A 33 -9.030 7.397 -1.169 1.00 0.00 C ATOM 610 O GLN A 33 -10.127 6.927 -0.867 1.00 0.00 O ATOM 611 CB GLN A 33 -8.743 9.041 -3.027 1.00 0.00 C ATOM 612 CG GLN A 33 -9.080 10.440 -3.518 1.00 0.00 C ATOM 613 CD GLN A 33 -10.346 10.477 -4.351 1.00 0.00 C ATOM 614 OE1 GLN A 33 -10.448 9.804 -5.377 1.00 0.00 O ATOM 615 NE2 GLN A 33 -11.319 11.268 -3.913 1.00 0.00 N ATOM 0 H GLN A 33 -6.966 9.724 -1.453 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.770 9.402 -1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.721 8.799 -3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.396 8.324 -3.525 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.194 11.104 -2.661 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.249 10.823 -4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.191 11.808 -3.057 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.194 11.335 -4.432 1.00 0.00 H new ATOM 624 N LEU A 34 -7.919 6.673 -1.211 1.00 0.00 N ATOM 625 CA LEU A 34 -7.925 5.253 -0.896 1.00 0.00 C ATOM 626 C LEU A 34 -8.328 5.028 0.556 1.00 0.00 C ATOM 627 O LEU A 34 -9.065 4.097 0.868 1.00 0.00 O ATOM 628 CB LEU A 34 -6.545 4.642 -1.160 1.00 0.00 C ATOM 629 CG LEU A 34 -6.501 3.599 -2.278 1.00 0.00 C ATOM 630 CD1 LEU A 34 -6.526 4.278 -3.638 1.00 0.00 C ATOM 631 CD2 LEU A 34 -5.265 2.720 -2.138 1.00 0.00 C ATOM 0 H LEU A 34 -7.003 7.047 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.655 4.763 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.850 5.445 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.187 4.181 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.383 2.964 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.494 3.522 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.440 4.864 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.662 4.936 -3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.249 1.984 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.370 3.339 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.290 2.207 -1.176 1.00 0.00 H new ATOM 643 N SER A 35 -7.840 5.892 1.439 1.00 0.00 N ATOM 644 CA SER A 35 -8.150 5.787 2.858 1.00 0.00 C ATOM 645 C SER A 35 -9.649 5.912 3.094 1.00 0.00 C ATOM 646 O SER A 35 -10.246 5.110 3.810 1.00 0.00 O ATOM 647 CB SER A 35 -7.405 6.868 3.644 1.00 0.00 C ATOM 648 OG SER A 35 -8.076 8.113 3.562 1.00 0.00 O ATOM 0 H SER A 35 -7.229 6.672 1.197 1.00 0.00 H new ATOM 0 HA SER A 35 -7.826 4.806 3.206 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.317 6.567 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.392 6.971 3.255 1.00 0.00 H new ATOM 0 HG SER A 35 -8.088 8.417 2.631 1.00 0.00 H new ATOM 654 N SER A 36 -10.246 6.930 2.489 1.00 0.00 N ATOM 655 CA SER A 36 -11.678 7.175 2.630 1.00 0.00 C ATOM 656 C SER A 36 -12.507 6.097 1.933 1.00 0.00 C ATOM 657 O SER A 36 -13.461 5.569 2.504 1.00 0.00 O ATOM 658 CB SER A 36 -12.037 8.550 2.065 1.00 0.00 C ATOM 659 OG SER A 36 -11.026 9.499 2.353 1.00 0.00 O ATOM 0 H SER A 36 -9.761 7.602 1.894 1.00 0.00 H new ATOM 0 HA SER A 36 -11.913 7.145 3.694 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.176 8.478 0.986 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.985 8.884 2.487 1.00 0.00 H new ATOM 0 HG SER A 36 -10.328 9.452 1.667 1.00 0.00 H new ATOM 665 N GLU A 37 -12.153 5.794 0.687 1.00 0.00 N ATOM 666 CA GLU A 37 -12.880 4.799 -0.099 1.00 0.00 C ATOM 667 C GLU A 37 -12.756 3.394 0.490 1.00 0.00 C ATOM 668 O GLU A 37 -13.737 2.652 0.543 1.00 0.00 O ATOM 669 CB GLU A 37 -12.388 4.809 -1.548 1.00 0.00 C ATOM 670 CG GLU A 37 -13.288 5.598 -2.487 1.00 0.00 C ATOM 671 CD GLU A 37 -13.859 4.746 -3.604 1.00 0.00 C ATOM 672 OE1 GLU A 37 -14.179 3.567 -3.347 1.00 0.00 O ATOM 673 OE2 GLU A 37 -13.988 5.260 -4.736 1.00 0.00 O ATOM 0 H GLU A 37 -11.367 6.223 0.199 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.935 5.071 -0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.384 5.231 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.314 3.782 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.106 6.037 -1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.722 6.423 -2.918 1.00 0.00 H new ATOM 680 N LEU A 38 -11.555 3.025 0.925 1.00 0.00 N ATOM 681 CA LEU A 38 -11.333 1.699 1.498 1.00 0.00 C ATOM 682 C LEU A 38 -11.674 1.673 2.986 1.00 0.00 C ATOM 683 O LEU A 38 -11.928 0.611 3.553 1.00 0.00 O ATOM 684 CB LEU A 38 -9.880 1.257 1.294 1.00 0.00 C ATOM 685 CG LEU A 38 -9.611 0.489 -0.001 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.150 0.622 -0.409 1.00 0.00 C ATOM 687 CD2 LEU A 38 -9.991 -0.975 0.164 1.00 0.00 C ATOM 0 H LEU A 38 -10.726 3.619 0.893 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.994 1.005 0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.242 2.140 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.585 0.632 2.137 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.226 0.918 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.978 0.069 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.910 1.674 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.514 0.219 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.794 -1.509 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.401 -1.416 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.051 -1.051 0.408 1.00 0.00 H new ATOM 699 N GLY A 39 -11.676 2.845 3.614 1.00 0.00 N ATOM 700 CA GLY A 39 -11.984 2.923 5.029 1.00 0.00 C ATOM 701 C GLY A 39 -10.803 2.542 5.897 1.00 0.00 C ATOM 702 O GLY A 39 -10.973 1.997 6.987 1.00 0.00 O ATOM 0 H GLY A 39 -11.470 3.739 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.300 3.937 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.823 2.265 5.253 1.00 0.00 H new ATOM 706 N LEU A 40 -9.599 2.830 5.412 1.00 0.00 N ATOM 707 CA LEU A 40 -8.380 2.516 6.148 1.00 0.00 C ATOM 708 C LEU A 40 -7.601 3.786 6.472 1.00 0.00 C ATOM 709 O LEU A 40 -7.932 4.869 5.989 1.00 0.00 O ATOM 710 CB LEU A 40 -7.503 1.558 5.340 1.00 0.00 C ATOM 711 CG LEU A 40 -8.054 0.137 5.199 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.490 -0.535 3.954 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.738 -0.681 6.442 1.00 0.00 C ATOM 0 H LEU A 40 -9.442 3.281 4.511 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.663 2.035 7.084 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.358 1.975 4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.521 1.505 5.810 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.137 0.195 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.893 -1.544 3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.769 0.041 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.404 -0.583 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.137 -1.689 6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.658 -0.732 6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.193 -0.209 7.313 1.00 0.00 H new ATOM 725 N ASN A 41 -6.563 3.647 7.291 1.00 0.00 N ATOM 726 CA ASN A 41 -5.739 4.786 7.678 1.00 0.00 C ATOM 727 C ASN A 41 -4.699 5.092 6.606 1.00 0.00 C ATOM 728 O ASN A 41 -4.103 4.184 6.024 1.00 0.00 O ATOM 729 CB ASN A 41 -5.047 4.514 9.014 1.00 0.00 C ATOM 730 CG ASN A 41 -4.504 5.778 9.651 1.00 0.00 C ATOM 731 OD1 ASN A 41 -4.659 6.874 9.113 1.00 0.00 O ATOM 732 ND2 ASN A 41 -3.863 5.632 10.805 1.00 0.00 N ATOM 0 H ASN A 41 -6.273 2.758 7.699 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.390 5.653 7.786 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.753 4.041 9.696 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.231 3.808 8.860 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.476 6.447 11.280 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.757 4.704 11.216 1.00 0.00 H new ATOM 739 N GLU A 42 -4.483 6.379 6.349 1.00 0.00 N ATOM 740 CA GLU A 42 -3.514 6.812 5.347 1.00 0.00 C ATOM 741 C GLU A 42 -2.157 6.154 5.580 1.00 0.00 C ATOM 742 O GLU A 42 -1.474 5.764 4.634 1.00 0.00 O ATOM 743 CB GLU A 42 -3.370 8.335 5.373 1.00 0.00 C ATOM 744 CG GLU A 42 -4.671 9.073 5.106 1.00 0.00 C ATOM 745 CD GLU A 42 -4.446 10.489 4.611 1.00 0.00 C ATOM 746 OE1 GLU A 42 -3.697 10.662 3.628 1.00 0.00 O ATOM 747 OE2 GLU A 42 -5.019 11.424 5.209 1.00 0.00 O ATOM 0 H GLU A 42 -4.967 7.142 6.822 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.880 6.506 4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.983 8.639 6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.632 8.635 4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.252 8.522 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.263 9.101 6.021 1.00 0.00 H new ATOM 754 N ALA A 43 -1.773 6.035 6.847 1.00 0.00 N ATOM 755 CA ALA A 43 -0.500 5.422 7.205 1.00 0.00 C ATOM 756 C ALA A 43 -0.472 3.948 6.813 1.00 0.00 C ATOM 757 O ALA A 43 0.570 3.416 6.429 1.00 0.00 O ATOM 758 CB ALA A 43 -0.240 5.577 8.697 1.00 0.00 C ATOM 0 H ALA A 43 -2.325 6.355 7.642 1.00 0.00 H new ATOM 0 HA ALA A 43 0.289 5.934 6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.714 5.115 8.950 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.209 6.636 8.953 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.039 5.091 9.258 1.00 0.00 H new ATOM 764 N GLN A 44 -1.626 3.294 6.908 1.00 0.00 N ATOM 765 CA GLN A 44 -1.730 1.882 6.562 1.00 0.00 C ATOM 766 C GLN A 44 -1.578 1.687 5.059 1.00 0.00 C ATOM 767 O GLN A 44 -0.893 0.768 4.607 1.00 0.00 O ATOM 768 CB GLN A 44 -3.074 1.318 7.032 1.00 0.00 C ATOM 769 CG GLN A 44 -2.966 0.445 8.271 1.00 0.00 C ATOM 770 CD GLN A 44 -3.239 1.210 9.550 1.00 0.00 C ATOM 771 OE1 GLN A 44 -4.128 0.853 10.323 1.00 0.00 O ATOM 772 NE2 GLN A 44 -2.474 2.272 9.779 1.00 0.00 N ATOM 0 H GLN A 44 -2.499 3.719 7.221 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.926 1.345 7.065 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.754 2.145 7.238 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.517 0.735 6.224 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.671 -0.383 8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.968 0.010 8.318 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.749 2.532 9.111 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.612 2.828 10.623 1.00 0.00 H new ATOM 781 N ILE A 45 -2.208 2.564 4.287 1.00 0.00 N ATOM 782 CA ILE A 45 -2.128 2.492 2.835 1.00 0.00 C ATOM 783 C ILE A 45 -0.701 2.746 2.368 1.00 0.00 C ATOM 784 O ILE A 45 -0.180 2.036 1.508 1.00 0.00 O ATOM 785 CB ILE A 45 -3.067 3.512 2.163 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.475 3.408 2.749 1.00 0.00 C ATOM 787 CG2 ILE A 45 -3.097 3.293 0.658 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.164 4.746 2.901 1.00 0.00 C ATOM 0 H ILE A 45 -2.779 3.331 4.642 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.439 1.489 2.544 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.687 4.515 2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.080 2.767 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.420 2.924 3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.765 4.021 0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.093 3.414 0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.455 2.286 0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.158 4.597 3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.580 5.383 3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.251 5.223 1.925 1.00 0.00 H new ATOM 800 N LYS A 46 -0.071 3.763 2.949 1.00 0.00 N ATOM 801 CA LYS A 46 1.301 4.112 2.603 1.00 0.00 C ATOM 802 C LYS A 46 2.236 2.934 2.857 1.00 0.00 C ATOM 803 O LYS A 46 3.080 2.607 2.021 1.00 0.00 O ATOM 804 CB LYS A 46 1.761 5.327 3.410 1.00 0.00 C ATOM 805 CG LYS A 46 2.970 6.031 2.815 1.00 0.00 C ATOM 806 CD LYS A 46 4.012 6.350 3.876 1.00 0.00 C ATOM 807 CE LYS A 46 4.923 5.162 4.137 1.00 0.00 C ATOM 808 NZ LYS A 46 5.877 4.935 3.016 1.00 0.00 N ATOM 0 H LYS A 46 -0.490 4.360 3.662 1.00 0.00 H new ATOM 0 HA LYS A 46 1.332 4.360 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.937 6.037 3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.999 5.009 4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.415 5.401 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.652 6.953 2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.609 7.204 3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.514 6.638 4.802 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.480 5.328 5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.319 4.267 4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.607 4.256 3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.364 4.555 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.328 5.836 2.756 1.00 0.00 H new ATOM 822 N ILE A 47 2.081 2.298 4.015 1.00 0.00 N ATOM 823 CA ILE A 47 2.911 1.155 4.374 1.00 0.00 C ATOM 824 C ILE A 47 2.703 0.000 3.398 1.00 0.00 C ATOM 825 O ILE A 47 3.659 -0.671 3.008 1.00 0.00 O ATOM 826 CB ILE A 47 2.619 0.675 5.811 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.944 1.783 6.814 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.419 -0.582 6.133 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.242 1.621 8.145 1.00 0.00 C ATOM 0 H ILE A 47 1.389 2.555 4.719 1.00 0.00 H new ATOM 0 HA ILE A 47 3.949 1.484 4.321 1.00 0.00 H new ATOM 0 HB ILE A 47 1.559 0.434 5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.021 1.806 6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.668 2.745 6.382 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.198 -0.903 7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.148 -1.375 5.436 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.484 -0.368 6.043 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.520 2.443 8.805 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.163 1.629 7.991 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.537 0.675 8.599 1.00 0.00 H new ATOM 841 N TRP A 48 1.454 -0.227 3.002 1.00 0.00 N ATOM 842 CA TRP A 48 1.140 -1.304 2.069 1.00 0.00 C ATOM 843 C TRP A 48 1.860 -1.092 0.742 1.00 0.00 C ATOM 844 O TRP A 48 2.454 -2.020 0.194 1.00 0.00 O ATOM 845 CB TRP A 48 -0.371 -1.396 1.829 1.00 0.00 C ATOM 846 CG TRP A 48 -0.745 -2.445 0.824 1.00 0.00 C ATOM 847 CD1 TRP A 48 -1.174 -3.715 1.084 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.712 -2.319 -0.604 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.411 -4.385 -0.091 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.135 -3.550 -1.142 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.367 -1.284 -1.480 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.221 -3.772 -2.514 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.453 -1.508 -2.842 1.00 0.00 C ATOM 854 CH2 TRP A 48 -0.877 -2.744 -3.347 1.00 0.00 C ATOM 0 H TRP A 48 0.648 0.316 3.310 1.00 0.00 H new ATOM 0 HA TRP A 48 1.481 -2.239 2.513 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.870 -1.612 2.774 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.738 -0.428 1.488 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.308 -4.132 2.071 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.739 -5.348 -0.169 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.040 -0.328 -1.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.548 -4.723 -2.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.189 -0.717 -3.528 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.933 -2.888 -4.416 1.00 0.00 H new ATOM 865 N PHE A 49 1.804 0.133 0.233 1.00 0.00 N ATOM 866 CA PHE A 49 2.450 0.464 -1.029 1.00 0.00 C ATOM 867 C PHE A 49 3.962 0.307 -0.914 1.00 0.00 C ATOM 868 O PHE A 49 4.600 -0.307 -1.771 1.00 0.00 O ATOM 869 CB PHE A 49 2.100 1.896 -1.445 1.00 0.00 C ATOM 870 CG PHE A 49 1.096 1.968 -2.560 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.263 1.894 -2.294 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.510 2.111 -3.873 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.188 1.961 -3.318 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.589 2.179 -4.902 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.761 2.104 -4.624 1.00 0.00 C ATOM 0 H PHE A 49 1.318 0.913 0.676 1.00 0.00 H new ATOM 0 HA PHE A 49 2.086 -0.224 -1.792 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.709 2.432 -0.580 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.011 2.409 -1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.602 1.783 -1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.565 2.170 -4.096 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.244 1.902 -3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.925 2.291 -5.922 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.482 2.157 -5.426 1.00 0.00 H new ATOM 885 N GLN A 50 4.530 0.860 0.152 1.00 0.00 N ATOM 886 CA GLN A 50 5.965 0.773 0.383 1.00 0.00 C ATOM 887 C GLN A 50 6.394 -0.678 0.578 1.00 0.00 C ATOM 888 O GLN A 50 7.441 -1.099 0.085 1.00 0.00 O ATOM 889 CB GLN A 50 6.357 1.603 1.607 1.00 0.00 C ATOM 890 CG GLN A 50 7.860 1.738 1.794 1.00 0.00 C ATOM 891 CD GLN A 50 8.340 1.164 3.113 1.00 0.00 C ATOM 892 OE1 GLN A 50 9.102 0.199 3.142 1.00 0.00 O ATOM 893 NE2 GLN A 50 7.892 1.757 4.214 1.00 0.00 N ATOM 0 H GLN A 50 4.018 1.373 0.869 1.00 0.00 H new ATOM 0 HA GLN A 50 6.476 1.171 -0.494 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.920 2.597 1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.928 1.146 2.499 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.371 1.232 0.975 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.136 2.791 1.739 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.261 2.555 4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.179 1.414 5.131 1.00 0.00 H new ATOM 902 N ASN A 51 5.576 -1.438 1.300 1.00 0.00 N ATOM 903 CA ASN A 51 5.869 -2.843 1.562 1.00 0.00 C ATOM 904 C ASN A 51 5.716 -3.677 0.293 1.00 0.00 C ATOM 905 O ASN A 51 6.459 -4.633 0.076 1.00 0.00 O ATOM 906 CB ASN A 51 4.944 -3.383 2.655 1.00 0.00 C ATOM 907 CG ASN A 51 5.540 -3.231 4.042 1.00 0.00 C ATOM 908 OD1 ASN A 51 6.670 -2.770 4.199 1.00 0.00 O ATOM 909 ND2 ASN A 51 4.779 -3.621 5.059 1.00 0.00 N ATOM 0 H ASN A 51 4.705 -1.105 1.714 1.00 0.00 H new ATOM 0 HA ASN A 51 6.902 -2.916 1.901 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.990 -2.858 2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.737 -4.436 2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.126 -3.544 6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.847 -3.998 4.884 1.00 0.00 H new ATOM 916 N LYS A 52 4.749 -3.308 -0.542 1.00 0.00 N ATOM 917 CA LYS A 52 4.504 -4.024 -1.789 1.00 0.00 C ATOM 918 C LYS A 52 5.680 -3.860 -2.745 1.00 0.00 C ATOM 919 O LYS A 52 6.071 -4.805 -3.431 1.00 0.00 O ATOM 920 CB LYS A 52 3.220 -3.523 -2.451 1.00 0.00 C ATOM 921 CG LYS A 52 2.423 -4.620 -3.138 1.00 0.00 C ATOM 922 CD LYS A 52 2.595 -4.576 -4.647 1.00 0.00 C ATOM 923 CE LYS A 52 1.978 -5.794 -5.314 1.00 0.00 C ATOM 924 NZ LYS A 52 2.678 -7.051 -4.929 1.00 0.00 N ATOM 0 H LYS A 52 4.124 -2.519 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 52 4.390 -5.082 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.593 -3.048 -1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.474 -2.756 -3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.743 -5.592 -2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.367 -4.514 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.132 -3.671 -5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.656 -4.524 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.926 -5.865 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.016 -5.674 -6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.446 -7.801 -5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.705 -6.890 -4.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.372 -7.342 -3.979 1.00 0.00 H new ATOM 938 N ARG A 53 6.242 -2.657 -2.784 1.00 0.00 N ATOM 939 CA ARG A 53 7.375 -2.372 -3.655 1.00 0.00 C ATOM 940 C ARG A 53 8.606 -3.155 -3.214 1.00 0.00 C ATOM 941 O ARG A 53 9.440 -3.534 -4.035 1.00 0.00 O ATOM 942 CB ARG A 53 7.682 -0.873 -3.651 1.00 0.00 C ATOM 943 CG ARG A 53 8.595 -0.437 -4.786 1.00 0.00 C ATOM 944 CD ARG A 53 8.075 0.814 -5.479 1.00 0.00 C ATOM 945 NE ARG A 53 9.074 1.880 -5.506 1.00 0.00 N ATOM 946 CZ ARG A 53 9.389 2.627 -4.450 1.00 0.00 C ATOM 947 NH1 ARG A 53 8.784 2.432 -3.286 1.00 0.00 N ATOM 948 NH2 ARG A 53 10.311 3.574 -4.561 1.00 0.00 N ATOM 0 H ARG A 53 5.931 -1.864 -2.223 1.00 0.00 H new ATOM 0 HA ARG A 53 7.112 -2.680 -4.667 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.746 -0.318 -3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.145 -0.608 -2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.595 -0.248 -4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.684 -1.245 -5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.780 0.567 -6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.181 1.168 -4.966 1.00 0.00 H new ATOM 0 HE ARG A 53 9.558 2.062 -6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.073 1.706 -3.196 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.030 3.008 -2.481 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.778 3.729 -5.455 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.553 4.147 -3.753 1.00 0.00 H new