USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 395 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 SER OG : rot 180:sc= 0.214 USER MOD Set 1.2: A 12 GLN : amide:sc= -0.0395 K(o=0.17,f=-2!) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0329 X(o=-0.033,f=-0.38) USER MOD Single : A 23 ASN : amide:sc= -0.266 K(o=-0.27,f=-2.5!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.849 USER MOD Single : A 32 GLN : amide:sc= 0.185 X(o=0.18,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.0435 K(o=-0.043,f=-0.77) USER MOD Single : A 35 SER OG : rot -78:sc= -0.85 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 44 GLN : amide:sc= -0.322 K(o=-0.32,f=-2.5) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.401 X(o=0.4,f=-0.034) USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= -0.0512 (180deg=-0.102) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.409 -6.557 3.518 1.00 0.00 N ATOM 176 CA SER A 9 -9.414 -7.464 2.976 1.00 0.00 C ATOM 177 C SER A 9 -9.121 -7.775 1.515 1.00 0.00 C ATOM 178 O SER A 9 -8.497 -6.978 0.821 1.00 0.00 O ATOM 179 CB SER A 9 -10.806 -6.845 3.106 1.00 0.00 C ATOM 180 OG SER A 9 -11.049 -5.916 2.063 1.00 0.00 O ATOM 0 HA SER A 9 -9.382 -8.393 3.544 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.561 -7.631 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.897 -6.346 4.071 1.00 0.00 H new ATOM 0 HG SER A 9 -11.946 -5.535 2.167 1.00 0.00 H new ATOM 186 N SER A 10 -9.577 -8.934 1.048 1.00 0.00 N ATOM 187 CA SER A 10 -9.358 -9.331 -0.338 1.00 0.00 C ATOM 188 C SER A 10 -9.841 -8.245 -1.295 1.00 0.00 C ATOM 189 O SER A 10 -9.223 -7.993 -2.329 1.00 0.00 O ATOM 190 CB SER A 10 -10.068 -10.649 -0.640 1.00 0.00 C ATOM 191 OG SER A 10 -9.885 -11.582 0.412 1.00 0.00 O ATOM 0 H SER A 10 -10.098 -9.611 1.606 1.00 0.00 H new ATOM 0 HA SER A 10 -8.287 -9.470 -0.482 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.133 -10.466 -0.787 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.685 -11.067 -1.571 1.00 0.00 H new ATOM 0 HG SER A 10 -10.351 -12.416 0.194 1.00 0.00 H new ATOM 197 N GLU A 11 -10.949 -7.597 -0.938 1.00 0.00 N ATOM 198 CA GLU A 11 -11.506 -6.532 -1.762 1.00 0.00 C ATOM 199 C GLU A 11 -10.529 -5.366 -1.846 1.00 0.00 C ATOM 200 O GLU A 11 -10.221 -4.874 -2.934 1.00 0.00 O ATOM 201 CB GLU A 11 -12.845 -6.059 -1.192 1.00 0.00 C ATOM 202 CG GLU A 11 -14.047 -6.749 -1.814 1.00 0.00 C ATOM 203 CD GLU A 11 -13.955 -8.261 -1.736 1.00 0.00 C ATOM 204 OE1 GLU A 11 -13.911 -8.796 -0.608 1.00 0.00 O ATOM 205 OE2 GLU A 11 -13.927 -8.909 -2.802 1.00 0.00 O ATOM 0 H GLU A 11 -11.475 -7.792 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.675 -6.923 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.854 -6.232 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.935 -4.983 -1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.954 -6.417 -1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.135 -6.447 -2.858 1.00 0.00 H new ATOM 212 N GLN A 12 -10.027 -4.939 -0.691 1.00 0.00 N ATOM 213 CA GLN A 12 -9.069 -3.845 -0.642 1.00 0.00 C ATOM 214 C GLN A 12 -7.766 -4.276 -1.301 1.00 0.00 C ATOM 215 O GLN A 12 -7.059 -3.467 -1.902 1.00 0.00 O ATOM 216 CB GLN A 12 -8.825 -3.418 0.807 1.00 0.00 C ATOM 217 CG GLN A 12 -10.092 -2.973 1.523 1.00 0.00 C ATOM 218 CD GLN A 12 -9.968 -3.036 3.032 1.00 0.00 C ATOM 219 OE1 GLN A 12 -9.133 -3.762 3.569 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.805 -2.274 3.726 1.00 0.00 N ATOM 0 H GLN A 12 -10.268 -5.333 0.218 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.472 -2.990 -1.185 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.379 -4.249 1.354 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.102 -2.603 0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.332 -1.952 1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.923 -3.602 1.205 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.482 -1.686 3.240 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.771 -2.276 4.745 1.00 0.00 H new ATOM 229 N LEU A 13 -7.469 -5.567 -1.194 1.00 0.00 N ATOM 230 CA LEU A 13 -6.269 -6.138 -1.786 1.00 0.00 C ATOM 231 C LEU A 13 -6.305 -5.985 -3.301 1.00 0.00 C ATOM 232 O LEU A 13 -5.344 -5.521 -3.911 1.00 0.00 O ATOM 233 CB LEU A 13 -6.160 -7.621 -1.416 1.00 0.00 C ATOM 234 CG LEU A 13 -5.326 -7.934 -0.170 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.844 -7.825 -0.481 1.00 0.00 C ATOM 236 CD2 LEU A 13 -5.701 -7.015 0.986 1.00 0.00 C ATOM 0 H LEU A 13 -8.051 -6.242 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.400 -5.607 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.165 -8.014 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.731 -8.157 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.542 -8.959 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.267 -8.051 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.584 -8.533 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.616 -6.813 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.093 -7.260 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.523 -5.979 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.755 -7.148 1.230 1.00 0.00 H new ATOM 248 N ALA A 14 -7.428 -6.374 -3.898 1.00 0.00 N ATOM 249 CA ALA A 14 -7.602 -6.280 -5.340 1.00 0.00 C ATOM 250 C ALA A 14 -7.508 -4.832 -5.800 1.00 0.00 C ATOM 251 O ALA A 14 -6.832 -4.525 -6.783 1.00 0.00 O ATOM 252 CB ALA A 14 -8.937 -6.883 -5.753 1.00 0.00 C ATOM 0 H ALA A 14 -8.232 -6.758 -3.402 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.802 -6.844 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.053 -6.805 -6.834 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.969 -7.932 -5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.747 -6.344 -5.262 1.00 0.00 H new ATOM 258 N ARG A 15 -8.183 -3.942 -5.080 1.00 0.00 N ATOM 259 CA ARG A 15 -8.165 -2.524 -5.417 1.00 0.00 C ATOM 260 C ARG A 15 -6.747 -1.970 -5.311 1.00 0.00 C ATOM 261 O ARG A 15 -6.265 -1.285 -6.215 1.00 0.00 O ATOM 262 CB ARG A 15 -9.101 -1.744 -4.494 1.00 0.00 C ATOM 263 CG ARG A 15 -10.549 -2.204 -4.568 1.00 0.00 C ATOM 264 CD ARG A 15 -11.501 -1.032 -4.747 1.00 0.00 C ATOM 265 NE ARG A 15 -12.886 -1.472 -4.903 1.00 0.00 N ATOM 266 CZ ARG A 15 -13.395 -1.928 -6.046 1.00 0.00 C ATOM 267 NH1 ARG A 15 -12.639 -2.005 -7.135 1.00 0.00 N ATOM 268 NH2 ARG A 15 -14.664 -2.308 -6.100 1.00 0.00 N ATOM 0 H ARG A 15 -8.747 -4.176 -4.263 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.511 -2.411 -6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.749 -1.841 -3.467 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.051 -0.685 -4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.668 -2.900 -5.398 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.806 -2.746 -3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.426 -0.369 -3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.204 -0.453 -5.621 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.499 -1.427 -4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.662 -1.714 -7.099 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.035 -2.355 -8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.249 -2.251 -5.267 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.055 -2.657 -6.975 1.00 0.00 H new ATOM 282 N LEU A 16 -6.081 -2.283 -4.205 1.00 0.00 N ATOM 283 CA LEU A 16 -4.716 -1.828 -3.980 1.00 0.00 C ATOM 284 C LEU A 16 -3.780 -2.398 -5.040 1.00 0.00 C ATOM 285 O LEU A 16 -2.917 -1.694 -5.565 1.00 0.00 O ATOM 286 CB LEU A 16 -4.241 -2.236 -2.584 1.00 0.00 C ATOM 287 CG LEU A 16 -4.793 -1.388 -1.436 1.00 0.00 C ATOM 288 CD1 LEU A 16 -5.015 -2.242 -0.196 1.00 0.00 C ATOM 289 CD2 LEU A 16 -3.852 -0.232 -1.130 1.00 0.00 C ATOM 0 H LEU A 16 -6.466 -2.851 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.701 -0.740 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.518 -3.276 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.152 -2.188 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.755 -0.977 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.408 -1.620 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.728 -3.035 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.069 -2.684 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.259 0.361 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.876 -0.623 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.746 0.395 -2.015 1.00 0.00 H new ATOM 301 N LYS A 17 -3.959 -3.678 -5.354 1.00 0.00 N ATOM 302 CA LYS A 17 -3.135 -4.341 -6.358 1.00 0.00 C ATOM 303 C LYS A 17 -3.299 -3.670 -7.718 1.00 0.00 C ATOM 304 O LYS A 17 -2.329 -3.483 -8.451 1.00 0.00 O ATOM 305 CB LYS A 17 -3.504 -5.824 -6.459 1.00 0.00 C ATOM 306 CG LYS A 17 -2.306 -6.757 -6.402 1.00 0.00 C ATOM 307 CD LYS A 17 -2.730 -8.216 -6.497 1.00 0.00 C ATOM 308 CE LYS A 17 -2.259 -9.015 -5.292 1.00 0.00 C ATOM 309 NZ LYS A 17 -2.728 -10.428 -5.343 1.00 0.00 N ATOM 0 H LYS A 17 -4.667 -4.276 -4.928 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.093 -4.257 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.188 -6.075 -5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.041 -5.993 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.622 -6.522 -7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.761 -6.595 -5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.816 -8.276 -6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.323 -8.655 -7.408 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.170 -8.996 -5.247 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.624 -8.544 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.386 -10.938 -4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.768 -10.448 -5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.359 -10.886 -6.201 1.00 0.00 H new ATOM 323 N ARG A 18 -4.536 -3.309 -8.045 1.00 0.00 N ATOM 324 CA ARG A 18 -4.829 -2.656 -9.315 1.00 0.00 C ATOM 325 C ARG A 18 -4.103 -1.319 -9.410 1.00 0.00 C ATOM 326 O ARG A 18 -3.489 -1.006 -10.429 1.00 0.00 O ATOM 327 CB ARG A 18 -6.338 -2.445 -9.468 1.00 0.00 C ATOM 328 CG ARG A 18 -6.865 -2.804 -10.849 1.00 0.00 C ATOM 329 CD ARG A 18 -7.681 -4.089 -10.823 1.00 0.00 C ATOM 330 NE ARG A 18 -7.049 -5.156 -11.599 1.00 0.00 N ATOM 331 CZ ARG A 18 -7.433 -5.521 -12.822 1.00 0.00 C ATOM 332 NH1 ARG A 18 -8.441 -4.904 -13.429 1.00 0.00 N ATOM 333 NH2 ARG A 18 -6.803 -6.508 -13.443 1.00 0.00 N ATOM 0 H ARG A 18 -5.350 -3.458 -7.449 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.479 -3.301 -10.121 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.858 -3.046 -8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.574 -1.402 -9.258 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.482 -1.989 -11.227 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.029 -2.917 -11.539 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.807 -4.417 -9.791 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.677 -3.894 -11.220 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.264 -5.652 -11.177 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.930 -4.142 -12.959 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.726 -5.192 -14.365 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.027 -6.986 -12.985 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.094 -6.790 -14.379 1.00 0.00 H new ATOM 347 N GLU A 19 -4.178 -0.536 -8.339 1.00 0.00 N ATOM 348 CA GLU A 19 -3.524 0.767 -8.300 1.00 0.00 C ATOM 349 C GLU A 19 -2.007 0.613 -8.285 1.00 0.00 C ATOM 350 O GLU A 19 -1.286 1.417 -8.875 1.00 0.00 O ATOM 351 CB GLU A 19 -3.982 1.555 -7.071 1.00 0.00 C ATOM 352 CG GLU A 19 -5.178 2.455 -7.336 1.00 0.00 C ATOM 353 CD GLU A 19 -4.845 3.608 -8.262 1.00 0.00 C ATOM 354 OE1 GLU A 19 -3.931 4.392 -7.928 1.00 0.00 O ATOM 355 OE2 GLU A 19 -5.497 3.729 -9.319 1.00 0.00 O ATOM 0 H GLU A 19 -4.684 -0.780 -7.488 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.806 1.315 -9.199 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.234 0.855 -6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.153 2.164 -6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.983 1.864 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.549 2.849 -6.390 1.00 0.00 H new ATOM 362 N PHE A 20 -1.529 -0.425 -7.606 1.00 0.00 N ATOM 363 CA PHE A 20 -0.096 -0.683 -7.514 1.00 0.00 C ATOM 364 C PHE A 20 0.487 -1.024 -8.883 1.00 0.00 C ATOM 365 O PHE A 20 1.597 -0.609 -9.215 1.00 0.00 O ATOM 366 CB PHE A 20 0.179 -1.823 -6.533 1.00 0.00 C ATOM 367 CG PHE A 20 1.642 -2.120 -6.356 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.383 -1.463 -5.386 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.276 -3.054 -7.159 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.728 -1.731 -5.222 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.621 -3.328 -7.000 1.00 0.00 C ATOM 372 CZ PHE A 20 4.348 -2.665 -6.030 1.00 0.00 C ATOM 0 H PHE A 20 -2.112 -1.100 -7.112 1.00 0.00 H new ATOM 0 HA PHE A 20 0.386 0.224 -7.149 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.252 -1.571 -5.564 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.327 -2.723 -6.883 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.903 -0.733 -4.751 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.712 -3.575 -7.919 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.294 -1.211 -4.463 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.103 -4.059 -7.633 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.400 -2.876 -5.903 1.00 0.00 H new ATOM 382 N ASN A 21 -0.266 -1.784 -9.671 1.00 0.00 N ATOM 383 CA ASN A 21 0.181 -2.182 -11.002 1.00 0.00 C ATOM 384 C ASN A 21 0.375 -0.963 -11.897 1.00 0.00 C ATOM 385 O ASN A 21 1.217 -0.967 -12.795 1.00 0.00 O ATOM 386 CB ASN A 21 -0.828 -3.140 -11.637 1.00 0.00 C ATOM 387 CG ASN A 21 -0.705 -4.551 -11.096 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.396 -5.089 -10.978 1.00 0.00 O ATOM 389 ND2 ASN A 21 -1.838 -5.158 -10.765 1.00 0.00 N ATOM 0 H ASN A 21 -1.187 -2.137 -9.412 1.00 0.00 H new ATOM 0 HA ASN A 21 1.139 -2.691 -10.899 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.838 -2.771 -11.457 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.682 -3.154 -12.717 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.818 -6.109 -10.396 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.728 -4.674 -10.880 1.00 0.00 H new ATOM 396 N GLU A 22 -0.406 0.082 -11.643 1.00 0.00 N ATOM 397 CA GLU A 22 -0.318 1.309 -12.423 1.00 0.00 C ATOM 398 C GLU A 22 0.809 2.195 -11.903 1.00 0.00 C ATOM 399 O GLU A 22 1.538 2.812 -12.680 1.00 0.00 O ATOM 400 CB GLU A 22 -1.646 2.066 -12.372 1.00 0.00 C ATOM 401 CG GLU A 22 -2.523 1.841 -13.594 1.00 0.00 C ATOM 402 CD GLU A 22 -3.095 3.132 -14.148 1.00 0.00 C ATOM 403 OE1 GLU A 22 -3.932 3.754 -13.459 1.00 0.00 O ATOM 404 OE2 GLU A 22 -2.707 3.520 -15.269 1.00 0.00 O ATOM 0 H GLU A 22 -1.107 0.103 -10.902 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.102 1.043 -13.458 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.194 1.761 -11.481 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.443 3.132 -12.272 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.939 1.345 -14.369 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.340 1.169 -13.331 1.00 0.00 H new ATOM 411 N ASN A 23 0.944 2.250 -10.583 1.00 0.00 N ATOM 412 CA ASN A 23 1.980 3.057 -9.952 1.00 0.00 C ATOM 413 C ASN A 23 2.297 2.536 -8.553 1.00 0.00 C ATOM 414 O ASN A 23 1.427 2.495 -7.685 1.00 0.00 O ATOM 415 CB ASN A 23 1.542 4.522 -9.881 1.00 0.00 C ATOM 416 CG ASN A 23 2.579 5.464 -10.460 1.00 0.00 C ATOM 417 OD1 ASN A 23 3.707 5.063 -10.748 1.00 0.00 O ATOM 418 ND2 ASN A 23 2.202 6.725 -10.635 1.00 0.00 N ATOM 0 H ASN A 23 0.347 1.744 -9.928 1.00 0.00 H new ATOM 0 HA ASN A 23 2.883 2.986 -10.558 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.603 4.644 -10.420 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.350 4.791 -8.842 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.857 7.404 -11.022 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.257 7.015 -10.383 1.00 0.00 H new ATOM 425 N ARG A 24 3.548 2.139 -8.344 1.00 0.00 N ATOM 426 CA ARG A 24 3.982 1.618 -7.050 1.00 0.00 C ATOM 427 C ARG A 24 4.102 2.731 -6.008 1.00 0.00 C ATOM 428 O ARG A 24 4.366 2.465 -4.836 1.00 0.00 O ATOM 429 CB ARG A 24 5.321 0.895 -7.193 1.00 0.00 C ATOM 430 CG ARG A 24 5.337 -0.135 -8.311 1.00 0.00 C ATOM 431 CD ARG A 24 6.748 -0.618 -8.605 1.00 0.00 C ATOM 432 NE ARG A 24 6.802 -1.449 -9.805 1.00 0.00 N ATOM 433 CZ ARG A 24 7.037 -0.978 -11.029 1.00 0.00 C ATOM 434 NH1 ARG A 24 7.236 0.321 -11.226 1.00 0.00 N ATOM 435 NH2 ARG A 24 7.070 -1.809 -12.062 1.00 0.00 N ATOM 0 H ARG A 24 4.280 2.168 -9.053 1.00 0.00 H new ATOM 0 HA ARG A 24 3.224 0.914 -6.707 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.104 1.630 -7.376 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.561 0.401 -6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.711 -0.984 -8.034 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.905 0.299 -9.213 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.407 0.241 -8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.122 -1.186 -7.753 1.00 0.00 H new ATOM 0 HE ARG A 24 6.650 -2.452 -9.699 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.210 0.966 -10.437 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.415 0.673 -12.167 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.916 -2.807 -11.919 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.250 -1.450 -13.000 1.00 0.00 H new ATOM 449 N TYR A 25 3.908 3.977 -6.435 1.00 0.00 N ATOM 450 CA TYR A 25 3.996 5.116 -5.530 1.00 0.00 C ATOM 451 C TYR A 25 2.607 5.630 -5.171 1.00 0.00 C ATOM 452 O TYR A 25 1.597 5.050 -5.572 1.00 0.00 O ATOM 453 CB TYR A 25 4.818 6.237 -6.169 1.00 0.00 C ATOM 454 CG TYR A 25 6.245 5.844 -6.474 1.00 0.00 C ATOM 455 CD1 TYR A 25 6.553 5.095 -7.603 1.00 0.00 C ATOM 456 CD2 TYR A 25 7.285 6.222 -5.633 1.00 0.00 C ATOM 457 CE1 TYR A 25 7.858 4.734 -7.885 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.591 5.865 -5.910 1.00 0.00 C ATOM 459 CZ TYR A 25 8.872 5.121 -7.035 1.00 0.00 C ATOM 460 OH TYR A 25 10.171 4.764 -7.313 1.00 0.00 O ATOM 0 H TYR A 25 3.689 4.221 -7.401 1.00 0.00 H new ATOM 0 HA TYR A 25 4.491 4.788 -4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.332 6.552 -7.092 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.822 7.099 -5.501 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.761 4.790 -8.271 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.069 6.804 -4.749 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.082 4.152 -8.767 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.388 6.168 -5.247 1.00 0.00 H new ATOM 0 HH TYR A 25 10.763 5.116 -6.616 1.00 0.00 H new ATOM 470 N LEU A 26 2.561 6.721 -4.415 1.00 0.00 N ATOM 471 CA LEU A 26 1.292 7.310 -4.006 1.00 0.00 C ATOM 472 C LEU A 26 1.382 8.831 -3.961 1.00 0.00 C ATOM 473 O LEU A 26 2.434 9.416 -4.220 1.00 0.00 O ATOM 474 CB LEU A 26 0.878 6.793 -2.623 1.00 0.00 C ATOM 475 CG LEU A 26 0.032 5.514 -2.596 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.564 5.317 -1.212 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.082 5.557 -3.632 1.00 0.00 C ATOM 0 H LEU A 26 3.386 7.214 -4.074 1.00 0.00 H new ATOM 0 HA LEU A 26 0.544 7.019 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.782 6.617 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.321 7.581 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 26 0.686 4.677 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.164 4.407 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.238 5.233 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.195 6.170 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.660 4.634 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.735 6.406 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.650 5.662 -4.627 1.00 0.00 H new ATOM 489 N THR A 27 0.266 9.457 -3.614 1.00 0.00 N ATOM 490 CA THR A 27 0.186 10.907 -3.505 1.00 0.00 C ATOM 491 C THR A 27 -0.788 11.280 -2.397 1.00 0.00 C ATOM 492 O THR A 27 -1.539 10.433 -1.918 1.00 0.00 O ATOM 493 CB THR A 27 -0.275 11.525 -4.828 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.657 11.293 -5.035 1.00 0.00 O ATOM 495 CG2 THR A 27 0.467 10.990 -6.035 1.00 0.00 C ATOM 0 H THR A 27 -0.607 8.975 -3.401 1.00 0.00 H new ATOM 0 HA THR A 27 1.177 11.295 -3.269 1.00 0.00 H new ATOM 0 HB THR A 27 -0.061 12.590 -4.736 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.933 11.697 -5.884 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.089 11.471 -6.937 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.531 11.200 -5.930 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.315 9.913 -6.108 1.00 0.00 H new ATOM 503 N GLU A 28 -0.784 12.542 -1.991 1.00 0.00 N ATOM 504 CA GLU A 28 -1.685 12.993 -0.938 1.00 0.00 C ATOM 505 C GLU A 28 -3.131 12.686 -1.315 1.00 0.00 C ATOM 506 O GLU A 28 -3.875 12.086 -0.539 1.00 0.00 O ATOM 507 CB GLU A 28 -1.514 14.493 -0.694 1.00 0.00 C ATOM 508 CG GLU A 28 -1.949 14.937 0.694 1.00 0.00 C ATOM 509 CD GLU A 28 -0.809 15.521 1.505 1.00 0.00 C ATOM 510 OE1 GLU A 28 -0.040 16.334 0.949 1.00 0.00 O ATOM 511 OE2 GLU A 28 -0.682 15.165 2.696 1.00 0.00 O ATOM 0 H GLU A 28 -0.174 13.266 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.438 12.460 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.467 14.759 -0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.090 15.042 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.742 15.680 0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.371 14.085 1.228 1.00 0.00 H new ATOM 518 N ARG A 29 -3.515 13.096 -2.518 1.00 0.00 N ATOM 519 CA ARG A 29 -4.865 12.863 -3.016 1.00 0.00 C ATOM 520 C ARG A 29 -5.180 11.371 -3.099 1.00 0.00 C ATOM 521 O ARG A 29 -6.289 10.944 -2.780 1.00 0.00 O ATOM 522 CB ARG A 29 -5.038 13.507 -4.393 1.00 0.00 C ATOM 523 CG ARG A 29 -5.547 14.938 -4.335 1.00 0.00 C ATOM 524 CD ARG A 29 -7.056 15.000 -4.502 1.00 0.00 C ATOM 525 NE ARG A 29 -7.471 16.155 -5.293 1.00 0.00 N ATOM 526 CZ ARG A 29 -8.636 16.239 -5.931 1.00 0.00 C ATOM 527 NH1 ARG A 29 -9.508 15.239 -5.873 1.00 0.00 N ATOM 528 NH2 ARG A 29 -8.932 17.326 -6.630 1.00 0.00 N ATOM 0 H ARG A 29 -2.908 13.594 -3.169 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.562 13.318 -2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.081 13.491 -4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.732 12.907 -4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.267 15.387 -3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.069 15.527 -5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.405 14.086 -4.983 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.528 15.044 -3.520 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.829 16.945 -5.361 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.287 14.400 -5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.399 15.310 -6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.267 18.098 -6.679 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.825 17.390 -7.119 1.00 0.00 H new ATOM 542 N ARG A 30 -4.202 10.582 -3.542 1.00 0.00 N ATOM 543 CA ARG A 30 -4.388 9.143 -3.679 1.00 0.00 C ATOM 544 C ARG A 30 -4.523 8.469 -2.319 1.00 0.00 C ATOM 545 O ARG A 30 -5.348 7.572 -2.143 1.00 0.00 O ATOM 546 CB ARG A 30 -3.217 8.533 -4.453 1.00 0.00 C ATOM 547 CG ARG A 30 -3.644 7.524 -5.505 1.00 0.00 C ATOM 548 CD ARG A 30 -4.299 8.205 -6.696 1.00 0.00 C ATOM 549 NE ARG A 30 -4.963 7.246 -7.579 1.00 0.00 N ATOM 550 CZ ARG A 30 -6.264 6.963 -7.530 1.00 0.00 C ATOM 551 NH1 ARG A 30 -7.052 7.550 -6.637 1.00 0.00 N ATOM 552 NH2 ARG A 30 -6.780 6.085 -8.379 1.00 0.00 N ATOM 0 H ARG A 30 -3.277 10.916 -3.811 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.312 8.975 -4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.655 9.333 -4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.541 8.048 -3.749 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.776 6.957 -5.841 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.340 6.810 -5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.027 8.935 -6.341 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.545 8.754 -7.259 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.395 6.764 -8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.663 8.225 -5.979 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.047 7.326 -6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.181 5.628 -9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.776 5.866 -8.344 1.00 0.00 H new ATOM 566 N ARG A 31 -3.709 8.900 -1.364 1.00 0.00 N ATOM 567 CA ARG A 31 -3.741 8.329 -0.024 1.00 0.00 C ATOM 568 C ARG A 31 -5.099 8.565 0.633 1.00 0.00 C ATOM 569 O ARG A 31 -5.693 7.650 1.202 1.00 0.00 O ATOM 570 CB ARG A 31 -2.629 8.933 0.837 1.00 0.00 C ATOM 571 CG ARG A 31 -1.724 7.895 1.478 1.00 0.00 C ATOM 572 CD ARG A 31 -0.436 8.521 1.988 1.00 0.00 C ATOM 573 NE ARG A 31 0.247 9.290 0.948 1.00 0.00 N ATOM 574 CZ ARG A 31 1.344 8.881 0.310 1.00 0.00 C ATOM 575 NH1 ARG A 31 1.894 7.705 0.593 1.00 0.00 N ATOM 576 NH2 ARG A 31 1.891 9.652 -0.619 1.00 0.00 N ATOM 0 H ARG A 31 -3.020 9.641 -1.492 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.580 7.254 -0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.025 9.599 0.221 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.078 9.544 1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.248 7.413 2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.489 7.117 0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.659 9.172 2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.227 7.738 2.355 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.141 10.198 0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.477 7.105 1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.733 7.402 0.099 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.473 10.555 -0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.730 9.343 -1.109 1.00 0.00 H new ATOM 590 N GLN A 32 -5.580 9.802 0.552 1.00 0.00 N ATOM 591 CA GLN A 32 -6.865 10.163 1.140 1.00 0.00 C ATOM 592 C GLN A 32 -8.013 9.473 0.409 1.00 0.00 C ATOM 593 O GLN A 32 -8.971 9.017 1.033 1.00 0.00 O ATOM 594 CB GLN A 32 -7.059 11.680 1.100 1.00 0.00 C ATOM 595 CG GLN A 32 -8.265 12.161 1.890 1.00 0.00 C ATOM 596 CD GLN A 32 -9.402 12.620 0.997 1.00 0.00 C ATOM 597 OE1 GLN A 32 -9.472 13.788 0.612 1.00 0.00 O ATOM 598 NE2 GLN A 32 -10.300 11.701 0.662 1.00 0.00 N ATOM 0 H GLN A 32 -5.099 10.571 0.085 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.867 9.830 2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.163 12.163 1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.165 11.997 0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.617 11.356 2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.965 12.982 2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.203 10.745 1.004 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.087 11.951 0.063 1.00 0.00 H new ATOM 607 N GLN A 33 -7.910 9.401 -0.914 1.00 0.00 N ATOM 608 CA GLN A 33 -8.941 8.766 -1.723 1.00 0.00 C ATOM 609 C GLN A 33 -8.995 7.267 -1.449 1.00 0.00 C ATOM 610 O GLN A 33 -10.071 6.700 -1.257 1.00 0.00 O ATOM 611 CB GLN A 33 -8.685 9.020 -3.210 1.00 0.00 C ATOM 612 CG GLN A 33 -9.133 10.396 -3.675 1.00 0.00 C ATOM 613 CD GLN A 33 -9.819 10.362 -5.026 1.00 0.00 C ATOM 614 OE1 GLN A 33 -9.560 9.482 -5.846 1.00 0.00 O ATOM 615 NE2 GLN A 33 -10.702 11.326 -5.266 1.00 0.00 N ATOM 0 H GLN A 33 -7.124 9.774 -1.447 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.902 9.202 -1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.620 8.906 -3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.204 8.261 -3.795 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.814 10.821 -2.937 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.268 11.057 -3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.887 12.036 -4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.195 11.355 -6.158 1.00 0.00 H new ATOM 624 N LEU A 34 -7.829 6.630 -1.426 1.00 0.00 N ATOM 625 CA LEU A 34 -7.746 5.197 -1.169 1.00 0.00 C ATOM 626 C LEU A 34 -8.214 4.876 0.247 1.00 0.00 C ATOM 627 O LEU A 34 -8.942 3.908 0.468 1.00 0.00 O ATOM 628 CB LEU A 34 -6.311 4.701 -1.369 1.00 0.00 C ATOM 629 CG LEU A 34 -6.055 3.973 -2.690 1.00 0.00 C ATOM 630 CD1 LEU A 34 -5.751 4.968 -3.799 1.00 0.00 C ATOM 631 CD2 LEU A 34 -4.914 2.978 -2.535 1.00 0.00 C ATOM 0 H LEU A 34 -6.929 7.083 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.399 4.686 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.636 5.554 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.057 4.031 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.957 3.424 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.572 4.431 -4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.598 5.642 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.865 5.545 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.744 2.468 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.008 3.507 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.172 2.245 -1.770 1.00 0.00 H new ATOM 643 N SER A 35 -7.791 5.698 1.203 1.00 0.00 N ATOM 644 CA SER A 35 -8.166 5.503 2.598 1.00 0.00 C ATOM 645 C SER A 35 -9.679 5.581 2.769 1.00 0.00 C ATOM 646 O SER A 35 -10.278 4.770 3.471 1.00 0.00 O ATOM 647 CB SER A 35 -7.486 6.551 3.481 1.00 0.00 C ATOM 648 OG SER A 35 -7.609 7.847 2.923 1.00 0.00 O ATOM 0 H SER A 35 -7.189 6.504 1.036 1.00 0.00 H new ATOM 0 HA SER A 35 -7.834 4.511 2.903 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.931 6.537 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.432 6.302 3.600 1.00 0.00 H new ATOM 0 HG SER A 35 -6.957 7.955 2.200 1.00 0.00 H new ATOM 654 N SER A 36 -10.289 6.570 2.125 1.00 0.00 N ATOM 655 CA SER A 36 -11.734 6.762 2.204 1.00 0.00 C ATOM 656 C SER A 36 -12.488 5.648 1.476 1.00 0.00 C ATOM 657 O SER A 36 -13.445 5.084 2.005 1.00 0.00 O ATOM 658 CB SER A 36 -12.119 8.123 1.619 1.00 0.00 C ATOM 659 OG SER A 36 -12.554 9.010 2.634 1.00 0.00 O ATOM 0 H SER A 36 -9.805 7.252 1.541 1.00 0.00 H new ATOM 0 HA SER A 36 -12.017 6.728 3.256 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.264 8.553 1.098 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.910 7.994 0.881 1.00 0.00 H new ATOM 0 HG SER A 36 -12.792 9.873 2.235 1.00 0.00 H new ATOM 665 N GLU A 37 -12.059 5.351 0.252 1.00 0.00 N ATOM 666 CA GLU A 37 -12.700 4.320 -0.561 1.00 0.00 C ATOM 667 C GLU A 37 -12.566 2.934 0.067 1.00 0.00 C ATOM 668 O GLU A 37 -13.548 2.199 0.182 1.00 0.00 O ATOM 669 CB GLU A 37 -12.100 4.311 -1.970 1.00 0.00 C ATOM 670 CG GLU A 37 -13.090 4.703 -3.055 1.00 0.00 C ATOM 671 CD GLU A 37 -12.535 4.496 -4.451 1.00 0.00 C ATOM 672 OE1 GLU A 37 -12.190 3.343 -4.787 1.00 0.00 O ATOM 673 OE2 GLU A 37 -12.444 5.486 -5.207 1.00 0.00 O ATOM 0 H GLU A 37 -11.268 5.811 -0.200 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.762 4.560 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.252 4.995 -1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.714 3.315 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.002 4.117 -2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.366 5.750 -2.929 1.00 0.00 H new ATOM 680 N LEU A 38 -11.348 2.575 0.458 1.00 0.00 N ATOM 681 CA LEU A 38 -11.095 1.267 1.057 1.00 0.00 C ATOM 682 C LEU A 38 -11.365 1.269 2.560 1.00 0.00 C ATOM 683 O LEU A 38 -11.417 0.212 3.189 1.00 0.00 O ATOM 684 CB LEU A 38 -9.651 0.838 0.789 1.00 0.00 C ATOM 685 CG LEU A 38 -9.256 0.779 -0.689 1.00 0.00 C ATOM 686 CD1 LEU A 38 -7.813 0.321 -0.837 1.00 0.00 C ATOM 687 CD2 LEU A 38 -10.195 -0.142 -1.458 1.00 0.00 C ATOM 0 H LEU A 38 -10.522 3.168 0.372 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.780 0.556 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.982 1.530 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.492 -0.145 1.231 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.342 1.781 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.549 0.285 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.155 1.021 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.700 -0.671 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.898 -0.171 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.144 -1.147 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.216 0.232 -1.380 1.00 0.00 H new ATOM 699 N GLY A 39 -11.531 2.456 3.135 1.00 0.00 N ATOM 700 CA GLY A 39 -11.788 2.557 4.560 1.00 0.00 C ATOM 701 C GLY A 39 -10.575 2.190 5.393 1.00 0.00 C ATOM 702 O GLY A 39 -10.707 1.618 6.475 1.00 0.00 O ATOM 0 H GLY A 39 -11.492 3.348 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.096 3.575 4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.618 1.902 4.824 1.00 0.00 H new ATOM 706 N LEU A 40 -9.391 2.518 4.886 1.00 0.00 N ATOM 707 CA LEU A 40 -8.148 2.219 5.587 1.00 0.00 C ATOM 708 C LEU A 40 -7.431 3.502 5.996 1.00 0.00 C ATOM 709 O LEU A 40 -7.774 4.590 5.532 1.00 0.00 O ATOM 710 CB LEU A 40 -7.233 1.369 4.704 1.00 0.00 C ATOM 711 CG LEU A 40 -7.687 -0.078 4.501 1.00 0.00 C ATOM 712 CD1 LEU A 40 -6.827 -0.764 3.452 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.638 -0.841 5.815 1.00 0.00 C ATOM 0 H LEU A 40 -9.266 2.991 3.991 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.394 1.659 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.149 1.847 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.235 1.362 5.142 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.718 -0.069 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.164 -1.792 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.913 -0.230 2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.786 -0.762 3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.964 -1.868 5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.617 -0.841 6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.297 -0.362 6.539 1.00 0.00 H new ATOM 725 N ASN A 41 -6.435 3.369 6.865 1.00 0.00 N ATOM 726 CA ASN A 41 -5.670 4.519 7.336 1.00 0.00 C ATOM 727 C ASN A 41 -4.581 4.895 6.336 1.00 0.00 C ATOM 728 O ASN A 41 -3.936 4.026 5.749 1.00 0.00 O ATOM 729 CB ASN A 41 -5.047 4.220 8.700 1.00 0.00 C ATOM 730 CG ASN A 41 -4.793 5.479 9.507 1.00 0.00 C ATOM 731 OD1 ASN A 41 -3.687 6.019 9.505 1.00 0.00 O ATOM 732 ND2 ASN A 41 -5.819 5.951 10.204 1.00 0.00 N ATOM 0 H ASN A 41 -6.138 2.476 7.258 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.353 5.363 7.435 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.707 3.559 9.261 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.107 3.686 8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.708 6.794 10.767 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.718 5.471 10.176 1.00 0.00 H new ATOM 739 N GLU A 42 -4.381 6.198 6.148 1.00 0.00 N ATOM 740 CA GLU A 42 -3.369 6.695 5.219 1.00 0.00 C ATOM 741 C GLU A 42 -2.015 6.038 5.475 1.00 0.00 C ATOM 742 O GLU A 42 -1.310 5.662 4.539 1.00 0.00 O ATOM 743 CB GLU A 42 -3.241 8.214 5.341 1.00 0.00 C ATOM 744 CG GLU A 42 -4.483 8.969 4.898 1.00 0.00 C ATOM 745 CD GLU A 42 -4.268 10.469 4.850 1.00 0.00 C ATOM 746 OE1 GLU A 42 -3.589 11.000 5.755 1.00 0.00 O ATOM 747 OE2 GLU A 42 -4.778 11.113 3.910 1.00 0.00 O ATOM 0 H GLU A 42 -4.907 6.929 6.627 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.687 6.440 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.022 8.469 6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.392 8.547 4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.785 8.617 3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.303 8.745 5.581 1.00 0.00 H new ATOM 754 N ALA A 43 -1.662 5.903 6.748 1.00 0.00 N ATOM 755 CA ALA A 43 -0.395 5.292 7.129 1.00 0.00 C ATOM 756 C ALA A 43 -0.349 3.824 6.719 1.00 0.00 C ATOM 757 O ALA A 43 0.711 3.296 6.377 1.00 0.00 O ATOM 758 CB ALA A 43 -0.177 5.427 8.628 1.00 0.00 C ATOM 0 H ALA A 43 -2.236 6.209 7.534 1.00 0.00 H new ATOM 0 HA ALA A 43 0.405 5.815 6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.773 4.967 8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.160 6.482 8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.987 4.929 9.160 1.00 0.00 H new ATOM 764 N GLN A 44 -1.505 3.170 6.755 1.00 0.00 N ATOM 765 CA GLN A 44 -1.594 1.761 6.392 1.00 0.00 C ATOM 766 C GLN A 44 -1.369 1.575 4.896 1.00 0.00 C ATOM 767 O GLN A 44 -0.666 0.656 4.474 1.00 0.00 O ATOM 768 CB GLN A 44 -2.957 1.193 6.792 1.00 0.00 C ATOM 769 CG GLN A 44 -3.158 1.108 8.296 1.00 0.00 C ATOM 770 CD GLN A 44 -4.577 0.735 8.676 1.00 0.00 C ATOM 771 OE1 GLN A 44 -5.385 0.369 7.823 1.00 0.00 O ATOM 772 NE2 GLN A 44 -4.888 0.828 9.965 1.00 0.00 N ATOM 0 H GLN A 44 -2.391 3.592 7.031 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.815 1.221 6.930 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.742 1.816 6.363 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.068 0.198 6.361 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.470 0.371 8.709 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.906 2.068 8.747 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.186 1.136 10.638 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.828 0.591 10.281 1.00 0.00 H new ATOM 781 N ILE A 45 -1.958 2.458 4.097 1.00 0.00 N ATOM 782 CA ILE A 45 -1.804 2.390 2.651 1.00 0.00 C ATOM 783 C ILE A 45 -0.361 2.684 2.258 1.00 0.00 C ATOM 784 O ILE A 45 0.212 2.009 1.403 1.00 0.00 O ATOM 785 CB ILE A 45 -2.740 3.382 1.935 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.181 3.192 2.416 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.654 3.202 0.426 1.00 0.00 C ATOM 788 CD1 ILE A 45 -4.954 4.488 2.534 1.00 0.00 C ATOM 0 H ILE A 45 -2.544 3.226 4.426 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.071 1.379 2.341 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.423 4.396 2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.702 2.529 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.169 2.696 3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.322 3.911 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.631 3.380 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.948 2.186 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.966 4.278 2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.456 5.145 3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.997 4.976 1.560 1.00 0.00 H new ATOM 800 N LYS A 46 0.224 3.694 2.896 1.00 0.00 N ATOM 801 CA LYS A 46 1.604 4.075 2.623 1.00 0.00 C ATOM 802 C LYS A 46 2.549 2.907 2.884 1.00 0.00 C ATOM 803 O LYS A 46 3.430 2.616 2.075 1.00 0.00 O ATOM 804 CB LYS A 46 2.009 5.275 3.481 1.00 0.00 C ATOM 805 CG LYS A 46 3.380 5.832 3.136 1.00 0.00 C ATOM 806 CD LYS A 46 4.166 6.202 4.385 1.00 0.00 C ATOM 807 CE LYS A 46 4.145 7.701 4.636 1.00 0.00 C ATOM 808 NZ LYS A 46 3.304 8.054 5.813 1.00 0.00 N ATOM 0 H LYS A 46 -0.238 4.263 3.606 1.00 0.00 H new ATOM 0 HA LYS A 46 1.675 4.353 1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.265 6.063 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.999 4.981 4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.938 5.094 2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.267 6.712 2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.747 5.682 5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.197 5.865 4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.163 8.057 4.797 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.765 8.212 3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.315 9.085 5.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.327 7.737 5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.681 7.587 6.662 1.00 0.00 H new ATOM 822 N ILE A 47 2.359 2.238 4.019 1.00 0.00 N ATOM 823 CA ILE A 47 3.196 1.099 4.378 1.00 0.00 C ATOM 824 C ILE A 47 2.983 -0.057 3.408 1.00 0.00 C ATOM 825 O ILE A 47 3.939 -0.702 2.975 1.00 0.00 O ATOM 826 CB ILE A 47 2.913 0.616 5.815 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.078 1.770 6.806 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.837 -0.536 6.183 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.192 1.650 8.026 1.00 0.00 C ATOM 0 H ILE A 47 1.636 2.465 4.702 1.00 0.00 H new ATOM 0 HA ILE A 47 4.232 1.435 4.321 1.00 0.00 H new ATOM 0 HB ILE A 47 1.884 0.260 5.863 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.119 1.817 7.126 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.858 2.709 6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.623 -0.864 7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.677 -1.365 5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.874 -0.206 6.119 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.362 2.502 8.684 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.147 1.633 7.717 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.428 0.728 8.558 1.00 0.00 H new ATOM 841 N TRP A 48 1.723 -0.312 3.065 1.00 0.00 N ATOM 842 CA TRP A 48 1.389 -1.388 2.139 1.00 0.00 C ATOM 843 C TRP A 48 2.044 -1.149 0.783 1.00 0.00 C ATOM 844 O TRP A 48 2.621 -2.061 0.191 1.00 0.00 O ATOM 845 CB TRP A 48 -0.129 -1.499 1.977 1.00 0.00 C ATOM 846 CG TRP A 48 -0.546 -2.561 1.005 1.00 0.00 C ATOM 847 CD1 TRP A 48 -0.963 -3.827 1.301 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.582 -2.450 -0.423 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.257 -4.509 0.146 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.031 -3.687 -0.926 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.279 -1.426 -1.325 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.183 -3.924 -2.290 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.432 -1.663 -2.678 1.00 0.00 C ATOM 854 CH2 TRP A 48 -0.880 -2.903 -3.149 1.00 0.00 C ATOM 0 H TRP A 48 0.919 0.211 3.414 1.00 0.00 H new ATOM 0 HA TRP A 48 1.768 -2.324 2.549 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.577 -1.709 2.948 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.523 -0.538 1.646 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.049 -4.233 2.298 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.590 -5.472 0.095 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.068 -0.467 -0.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.528 -4.880 -2.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.202 -0.879 -3.384 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.989 -3.057 -4.212 1.00 0.00 H new ATOM 865 N PHE A 49 1.955 0.086 0.301 1.00 0.00 N ATOM 866 CA PHE A 49 2.544 0.448 -0.981 1.00 0.00 C ATOM 867 C PHE A 49 4.063 0.330 -0.924 1.00 0.00 C ATOM 868 O PHE A 49 4.686 -0.235 -1.823 1.00 0.00 O ATOM 869 CB PHE A 49 2.137 1.871 -1.371 1.00 0.00 C ATOM 870 CG PHE A 49 1.021 1.921 -2.375 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.297 1.765 -1.976 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.290 2.118 -3.720 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.325 1.807 -2.898 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.267 2.162 -4.646 1.00 0.00 C ATOM 875 CZ PHE A 49 -1.042 2.006 -4.236 1.00 0.00 C ATOM 0 H PHE A 49 1.481 0.852 0.779 1.00 0.00 H new ATOM 0 HA PHE A 49 2.172 -0.242 -1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.833 2.412 -0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.005 2.390 -1.778 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.523 1.609 -0.932 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.312 2.239 -4.048 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.348 1.685 -2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.491 2.318 -5.691 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.843 2.039 -4.959 1.00 0.00 H new ATOM 885 N GLN A 50 4.651 0.863 0.142 1.00 0.00 N ATOM 886 CA GLN A 50 6.096 0.812 0.323 1.00 0.00 C ATOM 887 C GLN A 50 6.571 -0.631 0.452 1.00 0.00 C ATOM 888 O GLN A 50 7.621 -1.001 -0.073 1.00 0.00 O ATOM 889 CB GLN A 50 6.505 1.607 1.564 1.00 0.00 C ATOM 890 CG GLN A 50 6.737 3.085 1.294 1.00 0.00 C ATOM 891 CD GLN A 50 7.201 3.835 2.527 1.00 0.00 C ATOM 892 OE1 GLN A 50 8.195 4.562 2.489 1.00 0.00 O ATOM 893 NE2 GLN A 50 6.483 3.661 3.630 1.00 0.00 N ATOM 0 H GLN A 50 4.148 1.335 0.893 1.00 0.00 H new ATOM 0 HA GLN A 50 6.565 1.257 -0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.730 1.503 2.323 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.416 1.175 1.977 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.481 3.194 0.505 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.814 3.533 0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.667 3.049 3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.747 4.139 4.491 1.00 0.00 H new ATOM 902 N ASN A 51 5.789 -1.440 1.160 1.00 0.00 N ATOM 903 CA ASN A 51 6.124 -2.845 1.364 1.00 0.00 C ATOM 904 C ASN A 51 6.040 -3.622 0.055 1.00 0.00 C ATOM 905 O ASN A 51 6.953 -4.370 -0.293 1.00 0.00 O ATOM 906 CB ASN A 51 5.185 -3.467 2.400 1.00 0.00 C ATOM 907 CG ASN A 51 5.724 -3.348 3.813 1.00 0.00 C ATOM 908 OD1 ASN A 51 5.979 -4.352 4.479 1.00 0.00 O ATOM 909 ND2 ASN A 51 5.898 -2.117 4.278 1.00 0.00 N ATOM 0 H ASN A 51 4.918 -1.146 1.602 1.00 0.00 H new ATOM 0 HA ASN A 51 7.149 -2.899 1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.212 -2.980 2.343 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.030 -4.519 2.161 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.256 -1.974 5.222 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.673 -1.314 3.691 1.00 0.00 H new ATOM 916 N LYS A 52 4.938 -3.441 -0.665 1.00 0.00 N ATOM 917 CA LYS A 52 4.737 -4.128 -1.935 1.00 0.00 C ATOM 918 C LYS A 52 5.747 -3.652 -2.977 1.00 0.00 C ATOM 919 O LYS A 52 6.125 -4.402 -3.876 1.00 0.00 O ATOM 920 CB LYS A 52 3.311 -3.902 -2.442 1.00 0.00 C ATOM 921 CG LYS A 52 2.641 -5.167 -2.956 1.00 0.00 C ATOM 922 CD LYS A 52 2.979 -5.422 -4.416 1.00 0.00 C ATOM 923 CE LYS A 52 2.140 -6.551 -4.994 1.00 0.00 C ATOM 924 NZ LYS A 52 0.833 -6.061 -5.514 1.00 0.00 N ATOM 0 H LYS A 52 4.172 -2.826 -0.391 1.00 0.00 H new ATOM 0 HA LYS A 52 4.889 -5.195 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.709 -3.484 -1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.331 -3.161 -3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.958 -6.018 -2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.561 -5.080 -2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.813 -4.512 -4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.037 -5.670 -4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.691 -7.038 -5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.966 -7.304 -4.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.436 -6.762 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.175 -5.918 -4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.974 -5.160 -6.013 1.00 0.00 H new ATOM 938 N ARG A 53 6.185 -2.403 -2.845 1.00 0.00 N ATOM 939 CA ARG A 53 7.156 -1.834 -3.772 1.00 0.00 C ATOM 940 C ARG A 53 8.525 -2.475 -3.576 1.00 0.00 C ATOM 941 O ARG A 53 9.211 -2.810 -4.543 1.00 0.00 O ATOM 942 CB ARG A 53 7.257 -0.318 -3.576 1.00 0.00 C ATOM 943 CG ARG A 53 7.793 0.418 -4.794 1.00 0.00 C ATOM 944 CD ARG A 53 9.060 1.199 -4.471 1.00 0.00 C ATOM 945 NE ARG A 53 10.239 0.622 -5.118 1.00 0.00 N ATOM 946 CZ ARG A 53 11.239 0.030 -4.465 1.00 0.00 C ATOM 947 NH1 ARG A 53 11.217 -0.075 -3.141 1.00 0.00 N ATOM 948 NH2 ARG A 53 12.267 -0.463 -5.142 1.00 0.00 N ATOM 0 H ARG A 53 5.883 -1.768 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 53 6.817 -2.038 -4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.271 0.075 -3.329 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.904 -0.112 -2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.000 -0.298 -5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.031 1.101 -5.170 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.940 2.234 -4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.210 1.216 -3.392 1.00 0.00 H new ATOM 0 HE ARG A 53 10.300 0.676 -6.135 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.429 0.300 -2.613 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.988 -0.530 -2.653 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.291 -0.389 -6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.034 -0.917 -4.646 1.00 0.00 H new