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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.11) USER MOD Single : A 9 SER OG : rot 180:sc= 0.314 USER MOD Single : A 10 SER OG : rot -52:sc= 0.0993 USER MOD Single : A 12 GLN : amide:sc= -0.574 K(o=-0.57,f=-1.6!) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.137) USER MOD Single : A 21 ASN : amide:sc= -0.0666 X(o=-0.067,f=-0.43) USER MOD Single : A 23 ASN : amide:sc= -0.231 K(o=-0.23,f=-0.76!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.265 USER MOD Single : A 32 GLN : amide:sc= 0.0272 K(o=0.027,f=-1.2) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 35 SER OG : rot -23:sc= -1.94! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0528 K(o=-0.053,f=-2.5!) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.5 F(o=-1.7,f=-0.5) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.704 -6.546 3.506 1.00 0.00 N ATOM 176 CA SER A 9 -9.661 -7.476 2.916 1.00 0.00 C ATOM 177 C SER A 9 -9.277 -7.791 1.477 1.00 0.00 C ATOM 178 O SER A 9 -8.595 -7.003 0.826 1.00 0.00 O ATOM 179 CB SER A 9 -11.070 -6.881 2.957 1.00 0.00 C ATOM 180 OG SER A 9 -11.278 -5.991 1.872 1.00 0.00 O ATOM 0 HA SER A 9 -9.647 -8.399 3.495 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.808 -7.682 2.921 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.218 -6.353 3.899 1.00 0.00 H new ATOM 0 HG SER A 9 -12.186 -5.624 1.919 1.00 0.00 H new ATOM 186 N SER A 10 -9.719 -8.940 0.978 1.00 0.00 N ATOM 187 CA SER A 10 -9.412 -9.336 -0.392 1.00 0.00 C ATOM 188 C SER A 10 -9.810 -8.232 -1.368 1.00 0.00 C ATOM 189 O SER A 10 -9.079 -7.932 -2.312 1.00 0.00 O ATOM 190 CB SER A 10 -10.129 -10.636 -0.750 1.00 0.00 C ATOM 191 OG SER A 10 -10.543 -11.331 0.414 1.00 0.00 O ATOM 0 H SER A 10 -10.287 -9.610 1.497 1.00 0.00 H new ATOM 0 HA SER A 10 -8.337 -9.500 -0.467 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.996 -10.416 -1.373 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.466 -11.270 -1.339 1.00 0.00 H new ATOM 0 HG SER A 10 -9.781 -11.436 1.021 1.00 0.00 H new ATOM 197 N GLU A 11 -10.964 -7.620 -1.122 1.00 0.00 N ATOM 198 CA GLU A 11 -11.445 -6.537 -1.970 1.00 0.00 C ATOM 199 C GLU A 11 -10.456 -5.377 -1.947 1.00 0.00 C ATOM 200 O GLU A 11 -10.107 -4.822 -2.990 1.00 0.00 O ATOM 201 CB GLU A 11 -12.825 -6.063 -1.504 1.00 0.00 C ATOM 202 CG GLU A 11 -13.770 -5.727 -2.646 1.00 0.00 C ATOM 203 CD GLU A 11 -15.085 -5.148 -2.163 1.00 0.00 C ATOM 204 OE1 GLU A 11 -15.087 -3.992 -1.692 1.00 0.00 O ATOM 205 OE2 GLU A 11 -16.113 -5.852 -2.256 1.00 0.00 O ATOM 0 H GLU A 11 -11.581 -7.855 -0.345 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.533 -6.908 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.277 -6.839 -0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.704 -5.183 -0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.287 -5.014 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.966 -6.628 -3.228 1.00 0.00 H new ATOM 212 N GLN A 12 -9.995 -5.029 -0.749 1.00 0.00 N ATOM 213 CA GLN A 12 -9.030 -3.950 -0.588 1.00 0.00 C ATOM 214 C GLN A 12 -7.698 -4.340 -1.218 1.00 0.00 C ATOM 215 O GLN A 12 -6.992 -3.503 -1.780 1.00 0.00 O ATOM 216 CB GLN A 12 -8.830 -3.628 0.894 1.00 0.00 C ATOM 217 CG GLN A 12 -10.025 -2.944 1.535 1.00 0.00 C ATOM 218 CD GLN A 12 -9.981 -2.993 3.049 1.00 0.00 C ATOM 219 OE1 GLN A 12 -9.367 -3.885 3.635 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.633 -2.031 3.693 1.00 0.00 N ATOM 0 H GLN A 12 -10.275 -5.479 0.123 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.416 -3.063 -1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.619 -4.552 1.433 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.954 -2.988 1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.062 -1.904 1.210 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.942 -3.420 1.186 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.129 -1.311 3.168 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.638 -2.012 4.713 1.00 0.00 H new ATOM 229 N LEU A 13 -7.372 -5.625 -1.125 1.00 0.00 N ATOM 230 CA LEU A 13 -6.136 -6.149 -1.689 1.00 0.00 C ATOM 231 C LEU A 13 -6.130 -5.974 -3.203 1.00 0.00 C ATOM 232 O LEU A 13 -5.159 -5.483 -3.778 1.00 0.00 O ATOM 233 CB LEU A 13 -5.983 -7.630 -1.329 1.00 0.00 C ATOM 234 CG LEU A 13 -5.170 -7.922 -0.063 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.683 -7.870 -0.363 1.00 0.00 C ATOM 236 CD2 LEU A 13 -5.522 -6.947 1.052 1.00 0.00 C ATOM 0 H LEU A 13 -7.951 -6.325 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.296 -5.594 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.977 -8.061 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.513 -8.143 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.423 -8.927 0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.121 -8.080 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.438 -8.615 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.421 -6.878 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.930 -7.178 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.306 -5.929 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.582 -7.035 1.291 1.00 0.00 H new ATOM 248 N ALA A 14 -7.227 -6.371 -3.839 1.00 0.00 N ATOM 249 CA ALA A 14 -7.355 -6.251 -5.285 1.00 0.00 C ATOM 250 C ALA A 14 -7.289 -4.790 -5.710 1.00 0.00 C ATOM 251 O ALA A 14 -6.652 -4.450 -6.707 1.00 0.00 O ATOM 252 CB ALA A 14 -8.658 -6.883 -5.753 1.00 0.00 C ATOM 0 H ALA A 14 -8.039 -6.778 -3.375 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.524 -6.780 -5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.741 -6.786 -6.836 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.669 -7.938 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.499 -6.377 -5.278 1.00 0.00 H new ATOM 258 N ARG A 15 -7.948 -3.927 -4.941 1.00 0.00 N ATOM 259 CA ARG A 15 -7.959 -2.499 -5.232 1.00 0.00 C ATOM 260 C ARG A 15 -6.550 -1.923 -5.136 1.00 0.00 C ATOM 261 O ARG A 15 -6.098 -1.205 -6.028 1.00 0.00 O ATOM 262 CB ARG A 15 -8.890 -1.768 -4.263 1.00 0.00 C ATOM 263 CG ARG A 15 -9.613 -0.586 -4.887 1.00 0.00 C ATOM 264 CD ARG A 15 -10.903 -1.015 -5.569 1.00 0.00 C ATOM 265 NE ARG A 15 -12.002 -0.095 -5.283 1.00 0.00 N ATOM 266 CZ ARG A 15 -12.989 0.177 -6.136 1.00 0.00 C ATOM 267 NH1 ARG A 15 -13.029 -0.405 -7.329 1.00 0.00 N ATOM 268 NH2 ARG A 15 -13.941 1.034 -5.793 1.00 0.00 N ATOM 0 H ARG A 15 -8.480 -4.193 -4.113 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.325 -2.358 -6.249 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.628 -2.473 -3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.310 -1.418 -3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.836 0.152 -4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.960 -0.102 -5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.744 -1.067 -6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.173 -2.018 -5.237 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.014 0.368 -4.374 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.301 -1.066 -7.599 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.788 -0.191 -7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.917 1.484 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.697 1.244 -6.444 1.00 0.00 H new ATOM 282 N LEU A 16 -5.862 -2.248 -4.046 1.00 0.00 N ATOM 283 CA LEU A 16 -4.502 -1.770 -3.830 1.00 0.00 C ATOM 284 C LEU A 16 -3.562 -2.305 -4.907 1.00 0.00 C ATOM 285 O LEU A 16 -2.749 -1.564 -5.458 1.00 0.00 O ATOM 286 CB LEU A 16 -4.005 -2.192 -2.446 1.00 0.00 C ATOM 287 CG LEU A 16 -4.639 -1.441 -1.273 1.00 0.00 C ATOM 288 CD1 LEU A 16 -4.507 -2.248 0.010 1.00 0.00 C ATOM 289 CD2 LEU A 16 -4.002 -0.067 -1.111 1.00 0.00 C ATOM 0 H LEU A 16 -6.224 -2.840 -3.299 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.511 -0.682 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.193 -3.258 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.925 -2.052 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.699 -1.304 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.963 -1.699 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.011 -3.207 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.452 -2.417 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.466 0.452 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.935 -0.181 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.149 0.512 -2.023 1.00 0.00 H new ATOM 301 N LYS A 17 -3.684 -3.595 -5.202 1.00 0.00 N ATOM 302 CA LYS A 17 -2.849 -4.229 -6.216 1.00 0.00 C ATOM 303 C LYS A 17 -3.104 -3.613 -7.588 1.00 0.00 C ATOM 304 O LYS A 17 -2.175 -3.415 -8.373 1.00 0.00 O ATOM 305 CB LYS A 17 -3.118 -5.736 -6.258 1.00 0.00 C ATOM 306 CG LYS A 17 -1.858 -6.583 -6.182 1.00 0.00 C ATOM 307 CD LYS A 17 -1.647 -7.144 -4.785 1.00 0.00 C ATOM 308 CE LYS A 17 -2.368 -8.470 -4.601 1.00 0.00 C ATOM 309 NZ LYS A 17 -1.859 -9.223 -3.420 1.00 0.00 N ATOM 0 H LYS A 17 -4.352 -4.222 -4.754 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.805 -4.063 -5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.775 -6.002 -5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.652 -5.976 -7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.925 -7.402 -6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.996 -5.981 -6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.581 -7.280 -4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.007 -6.428 -4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.436 -8.288 -4.482 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.246 -9.077 -5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.483 -10.033 -3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.897 -9.566 -3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.841 -8.597 -2.590 1.00 0.00 H new ATOM 323 N ARG A 18 -4.367 -3.309 -7.866 1.00 0.00 N ATOM 324 CA ARG A 18 -4.746 -2.713 -9.140 1.00 0.00 C ATOM 325 C ARG A 18 -4.070 -1.360 -9.320 1.00 0.00 C ATOM 326 O ARG A 18 -3.495 -1.076 -10.370 1.00 0.00 O ATOM 327 CB ARG A 18 -6.265 -2.553 -9.222 1.00 0.00 C ATOM 328 CG ARG A 18 -6.794 -2.465 -10.645 1.00 0.00 C ATOM 329 CD ARG A 18 -7.406 -1.104 -10.933 1.00 0.00 C ATOM 330 NE ARG A 18 -8.552 -1.197 -11.834 1.00 0.00 N ATOM 331 CZ ARG A 18 -9.783 -1.516 -11.440 1.00 0.00 C ATOM 332 NH1 ARG A 18 -10.035 -1.774 -10.163 1.00 0.00 N ATOM 333 NH2 ARG A 18 -10.767 -1.578 -12.328 1.00 0.00 N ATOM 0 H ARG A 18 -5.145 -3.466 -7.226 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.417 -3.377 -9.939 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.738 -3.397 -8.719 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.557 -1.654 -8.679 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.983 -2.655 -11.347 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.542 -3.242 -10.804 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.718 -0.642 -9.997 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.651 -0.453 -11.374 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.400 -1.006 -12.824 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.283 -1.729 -9.475 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.981 -2.018 -9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.580 -1.381 -13.311 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.711 -1.822 -12.027 1.00 0.00 H new ATOM 347 N GLU A 19 -4.139 -0.532 -8.284 1.00 0.00 N ATOM 348 CA GLU A 19 -3.530 0.792 -8.321 1.00 0.00 C ATOM 349 C GLU A 19 -2.008 0.686 -8.328 1.00 0.00 C ATOM 350 O GLU A 19 -1.318 1.525 -8.906 1.00 0.00 O ATOM 351 CB GLU A 19 -3.990 1.625 -7.123 1.00 0.00 C ATOM 352 CG GLU A 19 -5.501 1.743 -7.010 1.00 0.00 C ATOM 353 CD GLU A 19 -6.095 2.653 -8.067 1.00 0.00 C ATOM 354 OE1 GLU A 19 -5.852 3.877 -8.001 1.00 0.00 O ATOM 355 OE2 GLU A 19 -6.805 2.143 -8.959 1.00 0.00 O ATOM 0 H GLU A 19 -4.611 -0.754 -7.408 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.849 1.287 -9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.599 1.178 -6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.560 2.624 -7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.947 0.752 -7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.759 2.123 -6.022 1.00 0.00 H new ATOM 362 N PHE A 20 -1.493 -0.355 -7.681 1.00 0.00 N ATOM 363 CA PHE A 20 -0.054 -0.579 -7.611 1.00 0.00 C ATOM 364 C PHE A 20 0.526 -0.818 -9.000 1.00 0.00 C ATOM 365 O PHE A 20 1.575 -0.276 -9.348 1.00 0.00 O ATOM 366 CB PHE A 20 0.250 -1.771 -6.703 1.00 0.00 C ATOM 367 CG PHE A 20 1.717 -2.023 -6.505 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.471 -1.198 -5.685 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.342 -3.087 -7.136 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.820 -1.429 -5.498 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.692 -3.323 -6.953 1.00 0.00 C ATOM 372 CZ PHE A 20 4.432 -2.493 -6.133 1.00 0.00 C ATOM 0 H PHE A 20 -2.052 -1.057 -7.197 1.00 0.00 H new ATOM 0 HA PHE A 20 0.411 0.314 -7.194 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.215 -1.604 -5.731 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.209 -2.665 -7.126 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.998 -0.365 -5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.768 -3.739 -7.778 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.396 -0.779 -4.856 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.168 -4.155 -7.451 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.487 -2.675 -5.989 1.00 0.00 H new ATOM 382 N ASN A 21 -0.163 -1.635 -9.791 1.00 0.00 N ATOM 383 CA ASN A 21 0.285 -1.945 -11.144 1.00 0.00 C ATOM 384 C ASN A 21 0.320 -0.689 -12.010 1.00 0.00 C ATOM 385 O ASN A 21 1.092 -0.604 -12.965 1.00 0.00 O ATOM 386 CB ASN A 21 -0.629 -2.996 -11.778 1.00 0.00 C ATOM 387 CG ASN A 21 0.039 -4.353 -11.885 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.825 -4.740 -11.022 1.00 0.00 O ATOM 389 ND2 ASN A 21 -0.273 -5.084 -12.949 1.00 0.00 N ATOM 0 H ASN A 21 -1.032 -2.094 -9.519 1.00 0.00 H new ATOM 0 HA ASN A 21 1.297 -2.345 -11.082 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.539 -3.088 -11.185 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.928 -2.662 -12.771 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.145 -6.006 -13.075 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.930 -4.723 -13.641 1.00 0.00 H new ATOM 396 N GLU A 22 -0.520 0.286 -11.673 1.00 0.00 N ATOM 397 CA GLU A 22 -0.580 1.536 -12.421 1.00 0.00 C ATOM 398 C GLU A 22 0.508 2.499 -11.958 1.00 0.00 C ATOM 399 O GLU A 22 1.071 3.246 -12.758 1.00 0.00 O ATOM 400 CB GLU A 22 -1.955 2.188 -12.262 1.00 0.00 C ATOM 401 CG GLU A 22 -3.111 1.266 -12.613 1.00 0.00 C ATOM 402 CD GLU A 22 -4.367 2.025 -12.995 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.507 2.380 -14.184 1.00 0.00 O ATOM 404 OE2 GLU A 22 -5.209 2.264 -12.104 1.00 0.00 O ATOM 0 H GLU A 22 -1.168 0.234 -10.887 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.415 1.307 -13.474 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.071 2.526 -11.232 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.003 3.074 -12.895 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.817 0.619 -13.439 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.326 0.619 -11.762 1.00 0.00 H new ATOM 411 N ASN A 23 0.800 2.474 -10.662 1.00 0.00 N ATOM 412 CA ASN A 23 1.822 3.343 -10.091 1.00 0.00 C ATOM 413 C ASN A 23 2.355 2.763 -8.783 1.00 0.00 C ATOM 414 O ASN A 23 1.599 2.533 -7.841 1.00 0.00 O ATOM 415 CB ASN A 23 1.254 4.745 -9.853 1.00 0.00 C ATOM 416 CG ASN A 23 1.913 5.792 -10.728 1.00 0.00 C ATOM 417 OD1 ASN A 23 2.433 5.483 -11.800 1.00 0.00 O ATOM 418 ND2 ASN A 23 1.896 7.040 -10.274 1.00 0.00 N ATOM 0 H ASN A 23 0.343 1.861 -9.987 1.00 0.00 H new ATOM 0 HA ASN A 23 2.647 3.412 -10.800 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.181 4.737 -10.046 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.387 5.015 -8.805 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.325 7.787 -10.820 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.454 7.251 -9.380 1.00 0.00 H new ATOM 425 N ARG A 24 3.663 2.528 -8.737 1.00 0.00 N ATOM 426 CA ARG A 24 4.302 1.973 -7.548 1.00 0.00 C ATOM 427 C ARG A 24 4.393 3.006 -6.422 1.00 0.00 C ATOM 428 O ARG A 24 4.817 2.685 -5.312 1.00 0.00 O ATOM 429 CB ARG A 24 5.699 1.452 -7.895 1.00 0.00 C ATOM 430 CG ARG A 24 5.873 -0.035 -7.631 1.00 0.00 C ATOM 431 CD ARG A 24 6.622 -0.722 -8.763 1.00 0.00 C ATOM 432 NE ARG A 24 7.948 -0.146 -8.971 1.00 0.00 N ATOM 433 CZ ARG A 24 8.918 -0.750 -9.654 1.00 0.00 C ATOM 434 NH1 ARG A 24 8.714 -1.945 -10.194 1.00 0.00 N ATOM 435 NH2 ARG A 24 10.095 -0.156 -9.798 1.00 0.00 N ATOM 0 H ARG A 24 4.302 2.713 -9.510 1.00 0.00 H new ATOM 0 HA ARG A 24 3.685 1.147 -7.195 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.902 1.653 -8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.439 2.005 -7.316 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.415 -0.178 -6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.895 -0.500 -7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.719 -1.785 -8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.043 -0.640 -9.683 1.00 0.00 H new ATOM 0 HE ARG A 24 8.142 0.772 -8.570 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.810 -2.406 -10.087 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.461 -2.403 -10.716 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.256 0.763 -9.386 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.839 -0.618 -10.321 1.00 0.00 H new ATOM 449 N TYR A 25 3.997 4.244 -6.709 1.00 0.00 N ATOM 450 CA TYR A 25 4.042 5.309 -5.714 1.00 0.00 C ATOM 451 C TYR A 25 2.633 5.701 -5.279 1.00 0.00 C ATOM 452 O TYR A 25 1.650 5.113 -5.730 1.00 0.00 O ATOM 453 CB TYR A 25 4.770 6.531 -6.277 1.00 0.00 C ATOM 454 CG TYR A 25 6.247 6.305 -6.517 1.00 0.00 C ATOM 455 CD1 TYR A 25 6.688 5.286 -7.353 1.00 0.00 C ATOM 456 CD2 TYR A 25 7.200 7.111 -5.908 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.036 5.078 -7.575 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.550 6.909 -6.124 1.00 0.00 C ATOM 459 CZ TYR A 25 8.962 5.892 -6.958 1.00 0.00 C ATOM 460 OH TYR A 25 10.305 5.688 -7.177 1.00 0.00 O ATOM 0 H TYR A 25 3.642 4.533 -7.621 1.00 0.00 H new ATOM 0 HA TYR A 25 4.586 4.939 -4.845 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.299 6.822 -7.216 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.647 7.366 -5.587 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.965 4.646 -7.837 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.881 7.909 -5.254 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.362 4.282 -8.228 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.278 7.545 -5.642 1.00 0.00 H new ATOM 0 HH TYR A 25 10.823 6.347 -6.669 1.00 0.00 H new ATOM 470 N LEU A 26 2.541 6.697 -4.405 1.00 0.00 N ATOM 471 CA LEU A 26 1.249 7.163 -3.916 1.00 0.00 C ATOM 472 C LEU A 26 1.273 8.663 -3.645 1.00 0.00 C ATOM 473 O LEU A 26 2.153 9.165 -2.946 1.00 0.00 O ATOM 474 CB LEU A 26 0.856 6.422 -2.633 1.00 0.00 C ATOM 475 CG LEU A 26 -0.061 5.199 -2.791 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.744 4.898 -1.467 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.117 5.411 -3.866 1.00 0.00 C ATOM 0 H LEU A 26 3.344 7.196 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 26 0.512 6.956 -4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.770 6.099 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.364 7.132 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 26 0.562 4.358 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.394 4.030 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.010 4.689 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.339 5.759 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.742 4.521 -3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.737 6.268 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.630 5.596 -4.823 1.00 0.00 H new ATOM 489 N THR A 27 0.290 9.367 -4.190 1.00 0.00 N ATOM 490 CA THR A 27 0.181 10.806 -3.994 1.00 0.00 C ATOM 491 C THR A 27 -0.730 11.104 -2.813 1.00 0.00 C ATOM 492 O THR A 27 -1.451 10.225 -2.341 1.00 0.00 O ATOM 493 CB THR A 27 -0.373 11.482 -5.250 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.783 11.331 -5.317 1.00 0.00 O ATOM 495 CG2 THR A 27 0.214 10.943 -6.539 1.00 0.00 C ATOM 0 H THR A 27 -0.444 8.964 -4.772 1.00 0.00 H new ATOM 0 HA THR A 27 1.177 11.200 -3.793 1.00 0.00 H new ATOM 0 HB THR A 27 -0.090 12.531 -5.161 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.121 11.770 -6.125 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.225 11.469 -7.387 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.294 11.094 -6.538 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.004 9.878 -6.620 1.00 0.00 H new ATOM 503 N GLU A 28 -0.713 12.346 -2.346 1.00 0.00 N ATOM 504 CA GLU A 28 -1.561 12.742 -1.231 1.00 0.00 C ATOM 505 C GLU A 28 -3.020 12.439 -1.555 1.00 0.00 C ATOM 506 O GLU A 28 -3.738 11.841 -0.754 1.00 0.00 O ATOM 507 CB GLU A 28 -1.388 14.233 -0.929 1.00 0.00 C ATOM 508 CG GLU A 28 -0.402 14.517 0.193 1.00 0.00 C ATOM 509 CD GLU A 28 -1.055 15.187 1.387 1.00 0.00 C ATOM 510 OE1 GLU A 28 -1.847 16.130 1.180 1.00 0.00 O ATOM 511 OE2 GLU A 28 -0.773 14.768 2.530 1.00 0.00 O ATOM 0 H GLU A 28 -0.125 13.091 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.266 12.174 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.053 14.742 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.357 14.657 -0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.059 13.582 0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.398 15.154 -0.184 1.00 0.00 H new ATOM 518 N ARG A 29 -3.442 12.854 -2.744 1.00 0.00 N ATOM 519 CA ARG A 29 -4.807 12.629 -3.200 1.00 0.00 C ATOM 520 C ARG A 29 -5.139 11.140 -3.248 1.00 0.00 C ATOM 521 O ARG A 29 -6.250 10.736 -2.906 1.00 0.00 O ATOM 522 CB ARG A 29 -5.014 13.251 -4.582 1.00 0.00 C ATOM 523 CG ARG A 29 -4.679 14.731 -4.639 1.00 0.00 C ATOM 524 CD ARG A 29 -5.915 15.591 -4.428 1.00 0.00 C ATOM 525 NE ARG A 29 -6.243 15.736 -3.010 1.00 0.00 N ATOM 526 CZ ARG A 29 -7.395 15.346 -2.461 1.00 0.00 C ATOM 527 NH1 ARG A 29 -8.342 14.784 -3.200 1.00 0.00 N ATOM 528 NH2 ARG A 29 -7.597 15.522 -1.163 1.00 0.00 N ATOM 0 H ARG A 29 -2.854 13.351 -3.413 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.478 13.105 -2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.397 12.719 -5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.052 13.110 -4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.936 14.967 -3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.231 14.967 -5.604 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.751 16.576 -4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.761 15.146 -4.953 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.545 16.163 -2.401 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.194 14.646 -4.200 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.218 14.490 -2.769 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.873 15.954 -0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.476 15.226 -0.739 1.00 0.00 H new ATOM 542 N ARG A 30 -4.178 10.326 -3.682 1.00 0.00 N ATOM 543 CA ARG A 30 -4.390 8.887 -3.780 1.00 0.00 C ATOM 544 C ARG A 30 -4.522 8.256 -2.399 1.00 0.00 C ATOM 545 O ARG A 30 -5.419 7.448 -2.159 1.00 0.00 O ATOM 546 CB ARG A 30 -3.243 8.231 -4.549 1.00 0.00 C ATOM 547 CG ARG A 30 -3.588 7.904 -5.993 1.00 0.00 C ATOM 548 CD ARG A 30 -2.514 8.392 -6.951 1.00 0.00 C ATOM 549 NE ARG A 30 -2.508 7.632 -8.199 1.00 0.00 N ATOM 550 CZ ARG A 30 -1.582 7.768 -9.145 1.00 0.00 C ATOM 551 NH1 ARG A 30 -0.584 8.629 -8.989 1.00 0.00 N ATOM 552 NH2 ARG A 30 -1.653 7.041 -10.252 1.00 0.00 N ATOM 0 H ARG A 30 -3.251 10.638 -3.969 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.321 8.721 -4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.379 8.895 -4.532 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.951 7.314 -4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.711 6.827 -6.103 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.542 8.362 -6.252 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.676 9.447 -7.170 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.538 8.312 -6.473 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.257 6.958 -8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.524 9.191 -8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.122 8.728 -9.718 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.417 6.378 -10.378 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.943 7.145 -10.977 1.00 0.00 H new ATOM 566 N ARG A 31 -3.624 8.626 -1.493 1.00 0.00 N ATOM 567 CA ARG A 31 -3.648 8.090 -0.138 1.00 0.00 C ATOM 568 C ARG A 31 -4.990 8.372 0.533 1.00 0.00 C ATOM 569 O ARG A 31 -5.606 7.479 1.114 1.00 0.00 O ATOM 570 CB ARG A 31 -2.512 8.695 0.693 1.00 0.00 C ATOM 571 CG ARG A 31 -1.281 7.807 0.782 1.00 0.00 C ATOM 572 CD ARG A 31 -0.089 8.558 1.356 1.00 0.00 C ATOM 573 NE ARG A 31 1.043 8.577 0.433 1.00 0.00 N ATOM 574 CZ ARG A 31 2.050 9.442 0.511 1.00 0.00 C ATOM 575 NH1 ARG A 31 2.072 10.361 1.469 1.00 0.00 N ATOM 576 NH2 ARG A 31 3.039 9.390 -0.371 1.00 0.00 N ATOM 0 H ARG A 31 -2.873 9.293 -1.672 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.510 7.010 -0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.227 9.654 0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.878 8.896 1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.501 6.941 1.406 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.031 7.430 -0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.384 9.581 1.589 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.215 8.092 2.293 1.00 0.00 H new ATOM 0 HE ARG A 31 1.062 7.885 -0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.314 10.406 2.150 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.847 11.022 1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.027 8.686 -1.109 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.811 10.054 -0.311 1.00 0.00 H new ATOM 590 N GLN A 32 -5.433 9.623 0.449 1.00 0.00 N ATOM 591 CA GLN A 32 -6.699 10.033 1.047 1.00 0.00 C ATOM 592 C GLN A 32 -7.888 9.386 0.338 1.00 0.00 C ATOM 593 O GLN A 32 -8.885 9.043 0.972 1.00 0.00 O ATOM 594 CB GLN A 32 -6.835 11.555 1.006 1.00 0.00 C ATOM 595 CG GLN A 32 -8.024 12.081 1.793 1.00 0.00 C ATOM 596 CD GLN A 32 -8.703 13.253 1.111 1.00 0.00 C ATOM 597 OE1 GLN A 32 -8.406 14.412 1.402 1.00 0.00 O ATOM 598 NE2 GLN A 32 -9.621 12.956 0.199 1.00 0.00 N ATOM 0 H GLN A 32 -4.932 10.372 -0.029 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.700 9.698 2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.923 12.004 1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.926 11.875 -0.032 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.747 11.277 1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.692 12.386 2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.835 11.981 -0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.112 13.703 -0.292 1.00 0.00 H new ATOM 607 N GLN A 33 -7.781 9.228 -0.978 1.00 0.00 N ATOM 608 CA GLN A 33 -8.854 8.629 -1.762 1.00 0.00 C ATOM 609 C GLN A 33 -9.031 7.159 -1.404 1.00 0.00 C ATOM 610 O GLN A 33 -10.131 6.716 -1.076 1.00 0.00 O ATOM 611 CB GLN A 33 -8.570 8.771 -3.259 1.00 0.00 C ATOM 612 CG GLN A 33 -9.409 9.841 -3.938 1.00 0.00 C ATOM 613 CD GLN A 33 -10.540 9.259 -4.763 1.00 0.00 C ATOM 614 OE1 GLN A 33 -11.229 8.335 -4.328 1.00 0.00 O ATOM 615 NE2 GLN A 33 -10.738 9.797 -5.960 1.00 0.00 N ATOM 0 H GLN A 33 -6.964 9.506 -1.522 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.778 9.158 -1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.515 9.005 -3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.752 7.814 -3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.822 10.508 -3.181 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.769 10.446 -4.581 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.143 10.561 -6.280 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.485 9.446 -6.560 1.00 0.00 H new ATOM 624 N LEU A 34 -7.938 6.407 -1.466 1.00 0.00 N ATOM 625 CA LEU A 34 -7.972 4.987 -1.145 1.00 0.00 C ATOM 626 C LEU A 34 -8.352 4.778 0.316 1.00 0.00 C ATOM 627 O LEU A 34 -9.088 3.851 0.651 1.00 0.00 O ATOM 628 CB LEU A 34 -6.614 4.343 -1.432 1.00 0.00 C ATOM 629 CG LEU A 34 -6.437 3.813 -2.860 1.00 0.00 C ATOM 630 CD1 LEU A 34 -5.223 4.447 -3.521 1.00 0.00 C ATOM 631 CD2 LEU A 34 -6.317 2.293 -2.861 1.00 0.00 C ATOM 0 H LEU A 34 -7.019 6.757 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.726 4.512 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.832 5.076 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.464 3.520 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.321 4.085 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.115 4.058 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.353 5.528 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.329 4.210 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.192 1.939 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.453 1.996 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.220 1.856 -2.433 1.00 0.00 H new ATOM 643 N SER A 35 -7.850 5.655 1.180 1.00 0.00 N ATOM 644 CA SER A 35 -8.141 5.578 2.605 1.00 0.00 C ATOM 645 C SER A 35 -9.637 5.716 2.853 1.00 0.00 C ATOM 646 O SER A 35 -10.236 4.916 3.569 1.00 0.00 O ATOM 647 CB SER A 35 -7.383 6.672 3.359 1.00 0.00 C ATOM 648 OG SER A 35 -7.781 7.961 2.924 1.00 0.00 O ATOM 0 H SER A 35 -7.239 6.428 0.916 1.00 0.00 H new ATOM 0 HA SER A 35 -7.815 4.604 2.971 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.565 6.574 4.429 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.311 6.548 3.206 1.00 0.00 H new ATOM 0 HG SER A 35 -8.155 7.900 2.020 1.00 0.00 H new ATOM 654 N SER A 36 -10.230 6.743 2.257 1.00 0.00 N ATOM 655 CA SER A 36 -11.659 7.000 2.406 1.00 0.00 C ATOM 656 C SER A 36 -12.493 5.939 1.691 1.00 0.00 C ATOM 657 O SER A 36 -13.508 5.476 2.212 1.00 0.00 O ATOM 658 CB SER A 36 -12.005 8.387 1.862 1.00 0.00 C ATOM 659 OG SER A 36 -13.221 8.863 2.413 1.00 0.00 O ATOM 0 H SER A 36 -9.742 7.414 1.664 1.00 0.00 H new ATOM 0 HA SER A 36 -11.896 6.959 3.469 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.200 9.084 2.095 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.086 8.345 0.776 1.00 0.00 H new ATOM 0 HG SER A 36 -13.419 9.752 2.051 1.00 0.00 H new ATOM 665 N GLU A 37 -12.065 5.571 0.488 1.00 0.00 N ATOM 666 CA GLU A 37 -12.776 4.578 -0.313 1.00 0.00 C ATOM 667 C GLU A 37 -12.811 3.216 0.374 1.00 0.00 C ATOM 668 O GLU A 37 -13.875 2.617 0.528 1.00 0.00 O ATOM 669 CB GLU A 37 -12.122 4.446 -1.690 1.00 0.00 C ATOM 670 CG GLU A 37 -12.992 3.733 -2.712 1.00 0.00 C ATOM 671 CD GLU A 37 -12.225 2.698 -3.512 1.00 0.00 C ATOM 672 OE1 GLU A 37 -11.860 1.653 -2.935 1.00 0.00 O ATOM 673 OE2 GLU A 37 -11.991 2.933 -4.716 1.00 0.00 O ATOM 0 H GLU A 37 -11.227 5.946 0.044 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.804 4.923 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.878 5.440 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.181 3.905 -1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.823 3.248 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.422 4.468 -3.393 1.00 0.00 H new ATOM 680 N LEU A 38 -11.644 2.723 0.773 1.00 0.00 N ATOM 681 CA LEU A 38 -11.547 1.423 1.430 1.00 0.00 C ATOM 682 C LEU A 38 -11.794 1.529 2.934 1.00 0.00 C ATOM 683 O LEU A 38 -11.981 0.518 3.611 1.00 0.00 O ATOM 684 CB LEU A 38 -10.171 0.806 1.174 1.00 0.00 C ATOM 685 CG LEU A 38 -9.927 0.344 -0.264 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.544 -0.279 -0.400 1.00 0.00 C ATOM 687 CD2 LEU A 38 -11.006 -0.638 -0.698 1.00 0.00 C ATOM 0 H LEU A 38 -10.752 3.203 0.654 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.321 0.782 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.407 1.536 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.042 -0.047 1.841 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.973 1.215 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.390 -0.601 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.786 0.457 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.465 -1.139 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.817 -0.956 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.993 -1.507 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.981 -0.155 -0.642 1.00 0.00 H new ATOM 699 N GLY A 39 -11.792 2.752 3.453 1.00 0.00 N ATOM 700 CA GLY A 39 -12.016 2.952 4.873 1.00 0.00 C ATOM 701 C GLY A 39 -10.799 2.597 5.707 1.00 0.00 C ATOM 702 O GLY A 39 -10.926 2.214 6.870 1.00 0.00 O ATOM 0 H GLY A 39 -11.640 3.607 2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.285 3.993 5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.862 2.344 5.194 1.00 0.00 H new ATOM 706 N LEU A 40 -9.618 2.725 5.111 1.00 0.00 N ATOM 707 CA LEU A 40 -8.373 2.415 5.805 1.00 0.00 C ATOM 708 C LEU A 40 -7.595 3.689 6.120 1.00 0.00 C ATOM 709 O LEU A 40 -7.896 4.757 5.589 1.00 0.00 O ATOM 710 CB LEU A 40 -7.512 1.475 4.958 1.00 0.00 C ATOM 711 CG LEU A 40 -8.017 0.034 4.872 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.360 -0.691 3.708 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.758 -0.702 6.181 1.00 0.00 C ATOM 0 H LEU A 40 -9.497 3.041 4.149 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.623 1.921 6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.444 1.881 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.502 1.466 5.367 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.093 0.054 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.731 -1.715 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.598 -0.176 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.279 -0.702 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.124 -1.726 6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.688 -0.714 6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.277 -0.193 6.993 1.00 0.00 H new ATOM 725 N ASN A 41 -6.592 3.567 6.985 1.00 0.00 N ATOM 726 CA ASN A 41 -5.772 4.711 7.367 1.00 0.00 C ATOM 727 C ASN A 41 -4.675 4.963 6.337 1.00 0.00 C ATOM 728 O ASN A 41 -4.091 4.024 5.794 1.00 0.00 O ATOM 729 CB ASN A 41 -5.152 4.484 8.746 1.00 0.00 C ATOM 730 CG ASN A 41 -5.134 5.746 9.587 1.00 0.00 C ATOM 731 OD1 ASN A 41 -5.144 6.858 9.059 1.00 0.00 O ATOM 732 ND2 ASN A 41 -5.107 5.579 10.905 1.00 0.00 N ATOM 0 H ASN A 41 -6.328 2.690 7.433 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.416 5.590 7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.712 3.709 9.270 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.133 4.115 8.627 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.094 6.391 11.522 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.100 4.639 11.300 1.00 0.00 H new ATOM 739 N GLU A 42 -4.399 6.237 6.074 1.00 0.00 N ATOM 740 CA GLU A 42 -3.372 6.617 5.108 1.00 0.00 C ATOM 741 C GLU A 42 -2.047 5.928 5.418 1.00 0.00 C ATOM 742 O GLU A 42 -1.330 5.502 4.512 1.00 0.00 O ATOM 743 CB GLU A 42 -3.182 8.135 5.105 1.00 0.00 C ATOM 744 CG GLU A 42 -4.152 8.869 4.193 1.00 0.00 C ATOM 745 CD GLU A 42 -3.800 10.334 4.023 1.00 0.00 C ATOM 746 OE1 GLU A 42 -4.205 11.144 4.882 1.00 0.00 O ATOM 747 OE2 GLU A 42 -3.120 10.669 3.032 1.00 0.00 O ATOM 0 H GLU A 42 -4.872 7.025 6.517 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.703 6.296 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.299 8.509 6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.162 8.364 4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.162 8.386 3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.160 8.786 4.600 1.00 0.00 H new ATOM 754 N ALA A 43 -1.727 5.820 6.704 1.00 0.00 N ATOM 755 CA ALA A 43 -0.489 5.179 7.130 1.00 0.00 C ATOM 756 C ALA A 43 -0.483 3.702 6.754 1.00 0.00 C ATOM 757 O ALA A 43 0.563 3.137 6.429 1.00 0.00 O ATOM 758 CB ALA A 43 -0.299 5.345 8.630 1.00 0.00 C ATOM 0 H ALA A 43 -2.307 6.168 7.467 1.00 0.00 H new ATOM 0 HA ALA A 43 0.341 5.663 6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.629 4.862 8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.253 6.406 8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.136 4.886 9.156 1.00 0.00 H new ATOM 764 N GLN A 44 -1.658 3.082 6.791 1.00 0.00 N ATOM 765 CA GLN A 44 -1.784 1.671 6.449 1.00 0.00 C ATOM 766 C GLN A 44 -1.559 1.465 4.956 1.00 0.00 C ATOM 767 O GLN A 44 -0.842 0.552 4.546 1.00 0.00 O ATOM 768 CB GLN A 44 -3.164 1.146 6.853 1.00 0.00 C ATOM 769 CG GLN A 44 -3.147 0.306 8.120 1.00 0.00 C ATOM 770 CD GLN A 44 -3.540 1.100 9.351 1.00 0.00 C ATOM 771 OE1 GLN A 44 -4.784 1.563 9.384 1.00 0.00 O flip ATOM 772 NE2 GLN A 44 -2.735 1.294 10.262 1.00 0.00 N flip ATOM 0 H GLN A 44 -2.534 3.534 7.054 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.024 1.113 6.997 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.838 1.991 6.996 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.570 0.549 6.036 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.829 -0.536 8.002 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.149 -0.109 8.263 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.789 0.919 10.195 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.014 1.829 11.084 1.00 0.00 H new ATOM 781 N ILE A 45 -2.164 2.329 4.149 1.00 0.00 N ATOM 782 CA ILE A 45 -2.012 2.248 2.703 1.00 0.00 C ATOM 783 C ILE A 45 -0.566 2.520 2.308 1.00 0.00 C ATOM 784 O ILE A 45 -0.008 1.843 1.446 1.00 0.00 O ATOM 785 CB ILE A 45 -2.934 3.249 1.978 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.379 3.085 2.454 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.845 3.057 0.470 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.242 4.301 2.193 1.00 0.00 C ATOM 0 H ILE A 45 -2.762 3.090 4.471 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.294 1.239 2.402 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.604 4.260 2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.821 2.222 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.379 2.872 3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.502 3.771 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.818 3.219 0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.151 2.043 0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.253 4.114 2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.823 5.163 2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.272 4.503 1.122 1.00 0.00 H new ATOM 800 N LYS A 46 0.036 3.515 2.954 1.00 0.00 N ATOM 801 CA LYS A 46 1.421 3.877 2.682 1.00 0.00 C ATOM 802 C LYS A 46 2.348 2.692 2.935 1.00 0.00 C ATOM 803 O LYS A 46 3.223 2.393 2.124 1.00 0.00 O ATOM 804 CB LYS A 46 1.842 5.063 3.553 1.00 0.00 C ATOM 805 CG LYS A 46 2.859 5.977 2.889 1.00 0.00 C ATOM 806 CD LYS A 46 3.161 7.195 3.749 1.00 0.00 C ATOM 807 CE LYS A 46 4.555 7.124 4.351 1.00 0.00 C ATOM 808 NZ LYS A 46 5.608 7.468 3.355 1.00 0.00 N ATOM 0 H LYS A 46 -0.415 4.084 3.670 1.00 0.00 H new ATOM 0 HA LYS A 46 1.498 4.162 1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.957 5.645 3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.260 4.687 4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.780 5.424 2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.481 6.300 1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.070 8.098 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.423 7.269 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.620 7.807 5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.734 6.120 4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.544 7.408 3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.563 6.801 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.453 8.435 3.006 1.00 0.00 H new ATOM 822 N ILE A 47 2.144 2.018 4.064 1.00 0.00 N ATOM 823 CA ILE A 47 2.962 0.863 4.416 1.00 0.00 C ATOM 824 C ILE A 47 2.768 -0.265 3.406 1.00 0.00 C ATOM 825 O ILE A 47 3.725 -0.941 3.027 1.00 0.00 O ATOM 826 CB ILE A 47 2.631 0.345 5.831 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.876 1.443 6.868 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.462 -0.889 6.159 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.024 1.302 8.110 1.00 0.00 C ATOM 0 H ILE A 47 1.423 2.251 4.747 1.00 0.00 H new ATOM 0 HA ILE A 47 4.002 1.189 4.400 1.00 0.00 H new ATOM 0 HB ILE A 47 1.578 0.066 5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.927 1.432 7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.680 2.413 6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.214 -1.239 7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.246 -1.676 5.436 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.521 -0.636 6.115 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.251 2.114 8.801 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.970 1.343 7.835 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.236 0.347 8.590 1.00 0.00 H new ATOM 841 N TRP A 48 1.528 -0.460 2.971 1.00 0.00 N ATOM 842 CA TRP A 48 1.218 -1.504 2.001 1.00 0.00 C ATOM 843 C TRP A 48 1.979 -1.267 0.701 1.00 0.00 C ATOM 844 O TRP A 48 2.577 -2.187 0.144 1.00 0.00 O ATOM 845 CB TRP A 48 -0.287 -1.548 1.725 1.00 0.00 C ATOM 846 CG TRP A 48 -0.677 -2.584 0.713 1.00 0.00 C ATOM 847 CD1 TRP A 48 -1.123 -3.850 0.965 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.651 -2.443 -0.712 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.378 -4.504 -0.216 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.096 -3.662 -1.259 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.297 -1.405 -1.579 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.196 -3.870 -2.632 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.397 -1.613 -2.943 1.00 0.00 C ATOM 854 CH2 TRP A 48 -0.843 -2.837 -3.457 1.00 0.00 C ATOM 0 H TRP A 48 0.723 0.089 3.273 1.00 0.00 H new ATOM 0 HA TRP A 48 1.527 -2.462 2.419 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.814 -1.746 2.658 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.614 -0.569 1.376 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.256 -4.275 1.949 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.721 -5.461 -0.302 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.048 -0.458 -1.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.540 -4.813 -3.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.127 -0.818 -3.623 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.910 -2.968 -4.527 1.00 0.00 H new ATOM 865 N PHE A 49 1.955 -0.026 0.227 1.00 0.00 N ATOM 866 CA PHE A 49 2.648 0.336 -1.003 1.00 0.00 C ATOM 867 C PHE A 49 4.157 0.204 -0.827 1.00 0.00 C ATOM 868 O PHE A 49 4.855 -0.288 -1.713 1.00 0.00 O ATOM 869 CB PHE A 49 2.289 1.765 -1.414 1.00 0.00 C ATOM 870 CG PHE A 49 1.255 1.833 -2.501 1.00 0.00 C ATOM 871 CD1 PHE A 49 1.626 1.743 -3.833 1.00 0.00 C ATOM 872 CD2 PHE A 49 -0.086 1.987 -2.190 1.00 0.00 C ATOM 873 CE1 PHE A 49 0.676 1.805 -4.835 1.00 0.00 C ATOM 874 CE2 PHE A 49 -1.039 2.049 -3.189 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.658 1.958 -4.513 1.00 0.00 C ATOM 0 H PHE A 49 1.463 0.746 0.676 1.00 0.00 H new ATOM 0 HA PHE A 49 2.330 -0.347 -1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.923 2.305 -0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.192 2.276 -1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.668 1.623 -4.091 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.390 2.059 -1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.977 1.734 -5.870 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.082 2.169 -2.934 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.402 2.006 -5.295 1.00 0.00 H new ATOM 885 N GLN A 50 4.651 0.647 0.324 1.00 0.00 N ATOM 886 CA GLN A 50 6.077 0.578 0.621 1.00 0.00 C ATOM 887 C GLN A 50 6.547 -0.871 0.673 1.00 0.00 C ATOM 888 O GLN A 50 7.623 -1.204 0.177 1.00 0.00 O ATOM 889 CB GLN A 50 6.376 1.276 1.951 1.00 0.00 C ATOM 890 CG GLN A 50 7.612 2.160 1.911 1.00 0.00 C ATOM 891 CD GLN A 50 7.296 3.619 2.176 1.00 0.00 C ATOM 892 OE1 GLN A 50 7.791 4.509 1.485 1.00 0.00 O ATOM 893 NE2 GLN A 50 6.467 3.872 3.183 1.00 0.00 N ATOM 0 H GLN A 50 4.085 1.058 1.067 1.00 0.00 H new ATOM 0 HA GLN A 50 6.618 1.088 -0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.516 1.882 2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.505 0.521 2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.330 1.808 2.652 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.089 2.067 0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.080 3.103 3.730 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.218 4.835 3.409 1.00 0.00 H new ATOM 902 N ASN A 51 5.732 -1.729 1.275 1.00 0.00 N ATOM 903 CA ASN A 51 6.061 -3.143 1.389 1.00 0.00 C ATOM 904 C ASN A 51 5.958 -3.831 0.032 1.00 0.00 C ATOM 905 O ASN A 51 6.738 -4.730 -0.281 1.00 0.00 O ATOM 906 CB ASN A 51 5.131 -3.826 2.396 1.00 0.00 C ATOM 907 CG ASN A 51 5.843 -4.192 3.684 1.00 0.00 C ATOM 908 OD1 ASN A 51 6.118 -5.364 3.943 1.00 0.00 O ATOM 909 ND2 ASN A 51 6.144 -3.189 4.500 1.00 0.00 N ATOM 0 H ASN A 51 4.838 -1.469 1.692 1.00 0.00 H new ATOM 0 HA ASN A 51 7.088 -3.227 1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.295 -3.164 2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.712 -4.727 1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.622 -3.375 5.382 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.897 -2.233 4.245 1.00 0.00 H new ATOM 916 N LYS A 52 4.988 -3.403 -0.770 1.00 0.00 N ATOM 917 CA LYS A 52 4.782 -3.978 -2.093 1.00 0.00 C ATOM 918 C LYS A 52 5.900 -3.572 -3.049 1.00 0.00 C ATOM 919 O LYS A 52 6.400 -4.397 -3.814 1.00 0.00 O ATOM 920 CB LYS A 52 3.426 -3.545 -2.658 1.00 0.00 C ATOM 921 CG LYS A 52 2.574 -4.705 -3.147 1.00 0.00 C ATOM 922 CD LYS A 52 2.163 -5.616 -2.001 1.00 0.00 C ATOM 923 CE LYS A 52 2.004 -7.057 -2.461 1.00 0.00 C ATOM 924 NZ LYS A 52 2.817 -7.995 -1.637 1.00 0.00 N ATOM 0 H LYS A 52 4.333 -2.660 -0.526 1.00 0.00 H new ATOM 0 HA LYS A 52 4.795 -5.063 -1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.878 -3.001 -1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.590 -2.852 -3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.684 -4.320 -3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.130 -5.279 -3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.911 -5.566 -1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.224 -5.264 -1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.953 -7.342 -2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.302 -7.140 -3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.682 -8.967 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.822 -7.739 -1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.515 -7.935 -0.643 1.00 0.00 H new ATOM 938 N ARG A 53 6.290 -2.302 -3.003 1.00 0.00 N ATOM 939 CA ARG A 53 7.351 -1.806 -3.871 1.00 0.00 C ATOM 940 C ARG A 53 8.705 -2.367 -3.448 1.00 0.00 C ATOM 941 O ARG A 53 9.602 -2.541 -4.274 1.00 0.00 O ATOM 942 CB ARG A 53 7.385 -0.275 -3.864 1.00 0.00 C ATOM 943 CG ARG A 53 7.699 0.331 -2.506 1.00 0.00 C ATOM 944 CD ARG A 53 7.443 1.831 -2.498 1.00 0.00 C ATOM 945 NE ARG A 53 8.592 2.582 -1.997 1.00 0.00 N ATOM 946 CZ ARG A 53 8.823 3.863 -2.279 1.00 0.00 C ATOM 947 NH1 ARG A 53 7.986 4.542 -3.053 1.00 0.00 N ATOM 948 NH2 ARG A 53 9.895 4.467 -1.785 1.00 0.00 N ATOM 0 H ARG A 53 5.890 -1.602 -2.378 1.00 0.00 H new ATOM 0 HA ARG A 53 7.140 -2.143 -4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.130 0.065 -4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.420 0.101 -4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.088 -0.149 -1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.741 0.136 -2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.206 2.163 -3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.572 2.046 -1.879 1.00 0.00 H new ATOM 0 HE ARG A 53 9.257 2.096 -1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.160 4.083 -3.436 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.169 5.523 -3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.542 3.951 -1.189 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.072 5.448 -2.001 1.00 0.00 H new