USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 380 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 Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -29:sc= 0.0927 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -154:sc= -0.0796 (180deg=-0.665) USER MOD Single : A 29 HIS : no HD1:sc= -0.376 X(o=-0.38,f=-0.03) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -118:sc= 1.03 (180deg=-1.09) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -168:sc= -1.18 (180deg=-1.54) USER MOD Single : A 46 ASN : amide:sc= -1.92 K(o=-1.9,f=-2.9!) USER MOD Single : A 47 ASN : amide:sc= -0.722 K(o=-0.72,f=-2.4!) USER MOD Single : A 48 THR OG1 : rot 19:sc= 0.389 USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= 0.925 (180deg=0.163) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.121 USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.158) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 5.918 7.423 4.324 1.00 0.00 N ATOM 184 CA SER A 12 6.129 6.033 4.820 1.00 0.00 C ATOM 185 C SER A 12 6.380 5.095 3.654 1.00 0.00 C ATOM 186 O SER A 12 5.762 5.216 2.616 1.00 0.00 O ATOM 187 CB SER A 12 4.858 5.575 5.553 1.00 0.00 C ATOM 188 OG SER A 12 5.192 4.286 6.051 1.00 0.00 O ATOM 0 HA SER A 12 6.989 6.016 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.595 6.259 6.360 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.002 5.533 4.879 1.00 0.00 H new ATOM 0 HG SER A 12 4.428 3.916 6.540 1.00 0.00 H new ATOM 194 N ALA A 13 7.286 4.180 3.834 1.00 0.00 N ATOM 195 CA ALA A 13 7.580 3.235 2.739 1.00 0.00 C ATOM 196 C ALA A 13 6.307 2.617 2.204 1.00 0.00 C ATOM 197 O ALA A 13 6.252 2.188 1.069 1.00 0.00 O ATOM 198 CB ALA A 13 8.462 2.108 3.290 1.00 0.00 C ATOM 0 H ALA A 13 7.830 4.050 4.687 1.00 0.00 H new ATOM 0 HA ALA A 13 8.080 3.776 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.689 1.400 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.390 2.528 3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.935 1.593 4.093 1.00 0.00 H new ATOM 204 N PHE A 14 5.298 2.577 3.035 1.00 0.00 N ATOM 205 CA PHE A 14 4.004 1.982 2.593 1.00 0.00 C ATOM 206 C PHE A 14 3.074 3.051 1.989 1.00 0.00 C ATOM 207 O PHE A 14 2.108 2.730 1.337 1.00 0.00 O ATOM 208 CB PHE A 14 3.352 1.285 3.835 1.00 0.00 C ATOM 209 CG PHE A 14 1.874 1.663 4.027 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.526 2.954 4.330 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.882 0.700 3.923 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.204 3.293 4.532 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.434 1.035 4.123 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.777 2.332 4.428 1.00 0.00 C ATOM 0 H PHE A 14 5.314 2.928 3.993 1.00 0.00 H new ATOM 0 HA PHE A 14 4.176 1.249 1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.433 0.204 3.723 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.910 1.555 4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.292 3.711 4.411 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.146 -0.319 3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.062 4.312 4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.201 0.279 4.041 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.812 2.596 4.585 1.00 0.00 H new ATOM 224 N PHE A 15 3.353 4.292 2.254 1.00 0.00 N ATOM 225 CA PHE A 15 2.481 5.351 1.685 1.00 0.00 C ATOM 226 C PHE A 15 2.642 5.336 0.194 1.00 0.00 C ATOM 227 O PHE A 15 1.690 5.435 -0.554 1.00 0.00 O ATOM 228 CB PHE A 15 2.938 6.716 2.198 1.00 0.00 C ATOM 229 CG PHE A 15 2.064 7.802 1.557 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.722 7.906 1.878 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.605 8.689 0.644 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.063 8.879 1.293 1.00 0.00 C ATOM 233 CE2 PHE A 15 1.818 9.662 0.062 1.00 0.00 C ATOM 234 CZ PHE A 15 0.485 9.757 0.387 1.00 0.00 C ATOM 0 H PHE A 15 4.131 4.616 2.828 1.00 0.00 H new ATOM 0 HA PHE A 15 1.445 5.173 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.856 6.758 3.284 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.987 6.881 1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.286 7.222 2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.651 8.620 0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.110 8.951 1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.250 10.350 -0.650 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.130 10.519 -0.068 1.00 0.00 H new ATOM 244 N LEU A 16 3.867 5.207 -0.202 1.00 0.00 N ATOM 245 CA LEU A 16 4.178 5.174 -1.630 1.00 0.00 C ATOM 246 C LEU A 16 3.455 3.993 -2.256 1.00 0.00 C ATOM 247 O LEU A 16 3.197 3.960 -3.443 1.00 0.00 O ATOM 248 CB LEU A 16 5.698 4.936 -1.773 1.00 0.00 C ATOM 249 CG LEU A 16 6.487 5.928 -0.896 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.973 5.526 -0.910 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.331 7.348 -1.452 1.00 0.00 C ATOM 0 H LEU A 16 4.672 5.122 0.418 1.00 0.00 H new ATOM 0 HA LEU A 16 3.876 6.103 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.940 3.914 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.993 5.050 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 16 6.105 5.905 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.544 6.220 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.080 4.516 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.349 5.557 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.890 8.046 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.715 7.384 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.277 7.625 -1.451 1.00 0.00 H new ATOM 263 N PHE A 17 3.147 3.043 -1.415 1.00 0.00 N ATOM 264 CA PHE A 17 2.444 1.824 -1.861 1.00 0.00 C ATOM 265 C PHE A 17 0.939 1.984 -1.694 1.00 0.00 C ATOM 266 O PHE A 17 0.164 1.416 -2.428 1.00 0.00 O ATOM 267 CB PHE A 17 2.972 0.720 -0.947 1.00 0.00 C ATOM 268 CG PHE A 17 2.117 -0.530 -0.973 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.930 -0.576 -0.264 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.573 -1.673 -1.597 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.217 -1.745 -0.178 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.856 -2.842 -1.511 1.00 0.00 C ATOM 273 CZ PHE A 17 0.679 -2.875 -0.795 1.00 0.00 C ATOM 0 H PHE A 17 3.361 3.069 -0.418 1.00 0.00 H new ATOM 0 HA PHE A 17 2.618 1.607 -2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.989 0.464 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.025 1.096 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.562 0.314 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.497 -1.649 -2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.709 -1.773 0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.214 -3.734 -2.004 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.120 -3.796 -0.721 1.00 0.00 H new ATOM 283 N CYS A 18 0.547 2.750 -0.717 1.00 0.00 N ATOM 284 CA CYS A 18 -0.891 2.948 -0.502 1.00 0.00 C ATOM 285 C CYS A 18 -1.574 3.365 -1.803 1.00 0.00 C ATOM 286 O CYS A 18 -2.564 2.791 -2.204 1.00 0.00 O ATOM 287 CB CYS A 18 -1.087 4.066 0.540 1.00 0.00 C ATOM 288 SG CYS A 18 -2.769 4.690 0.775 1.00 0.00 S ATOM 0 H CYS A 18 1.163 3.240 -0.068 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.330 2.013 -0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.725 3.700 1.501 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.451 4.906 0.259 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.764 5.621 1.683 1.00 0.00 H new ATOM 294 N SER A 19 -1.020 4.355 -2.443 1.00 0.00 N ATOM 295 CA SER A 19 -1.613 4.825 -3.710 1.00 0.00 C ATOM 296 C SER A 19 -1.486 3.775 -4.815 1.00 0.00 C ATOM 297 O SER A 19 -2.179 3.839 -5.811 1.00 0.00 O ATOM 298 CB SER A 19 -0.868 6.097 -4.145 1.00 0.00 C ATOM 299 OG SER A 19 -1.714 6.677 -5.126 1.00 0.00 O ATOM 0 H SER A 19 -0.184 4.854 -2.139 1.00 0.00 H new ATOM 0 HA SER A 19 -2.674 5.019 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.710 6.773 -3.305 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.115 5.863 -4.554 1.00 0.00 H new ATOM 0 HG SER A 19 -2.228 5.972 -5.573 1.00 0.00 H new ATOM 305 N GLU A 20 -0.601 2.824 -4.626 1.00 0.00 N ATOM 306 CA GLU A 20 -0.426 1.774 -5.663 1.00 0.00 C ATOM 307 C GLU A 20 -1.530 0.715 -5.583 1.00 0.00 C ATOM 308 O GLU A 20 -2.183 0.430 -6.563 1.00 0.00 O ATOM 309 CB GLU A 20 0.952 1.089 -5.450 1.00 0.00 C ATOM 310 CG GLU A 20 1.086 -0.129 -6.379 1.00 0.00 C ATOM 311 CD GLU A 20 0.737 0.274 -7.815 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.355 1.219 -8.277 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.130 -0.383 -8.366 1.00 0.00 O ATOM 0 H GLU A 20 -0.001 2.735 -3.806 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.480 2.245 -6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.755 1.799 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.055 0.777 -4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.103 -0.519 -6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.424 -0.928 -6.044 1.00 0.00 H new ATOM 320 N TYR A 21 -1.695 0.131 -4.419 1.00 0.00 N ATOM 321 CA TYR A 21 -2.746 -0.915 -4.250 1.00 0.00 C ATOM 322 C TYR A 21 -4.088 -0.331 -3.830 1.00 0.00 C ATOM 323 O TYR A 21 -4.962 -1.045 -3.378 1.00 0.00 O ATOM 324 CB TYR A 21 -2.244 -1.871 -3.153 1.00 0.00 C ATOM 325 CG TYR A 21 -1.350 -2.926 -3.770 1.00 0.00 C ATOM 326 CD1 TYR A 21 -0.017 -2.668 -3.961 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.862 -4.150 -4.133 1.00 0.00 C ATOM 328 CE1 TYR A 21 0.809 -3.625 -4.510 1.00 0.00 C ATOM 329 CE2 TYR A 21 -1.042 -5.113 -4.685 1.00 0.00 C ATOM 330 CZ TYR A 21 0.302 -4.856 -4.878 1.00 0.00 C ATOM 331 OH TYR A 21 1.124 -5.815 -5.430 1.00 0.00 O ATOM 0 H TYR A 21 -1.147 0.335 -3.583 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.908 -1.419 -5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.695 -1.314 -2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.090 -2.343 -2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.389 -1.708 -3.679 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.911 -4.359 -3.985 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.858 -3.411 -4.653 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.452 -6.071 -4.967 1.00 0.00 H new ATOM 0 HH TYR A 21 0.601 -6.620 -5.628 1.00 0.00 H new ATOM 341 N ARG A 22 -4.239 0.933 -3.994 1.00 0.00 N ATOM 342 CA ARG A 22 -5.525 1.563 -3.605 1.00 0.00 C ATOM 343 C ARG A 22 -6.669 1.197 -4.600 1.00 0.00 C ATOM 344 O ARG A 22 -7.730 0.789 -4.178 1.00 0.00 O ATOM 345 CB ARG A 22 -5.332 3.124 -3.539 1.00 0.00 C ATOM 346 CG ARG A 22 -5.565 3.630 -2.096 1.00 0.00 C ATOM 347 CD ARG A 22 -5.672 5.155 -2.113 1.00 0.00 C ATOM 348 NE ARG A 22 -6.040 5.631 -0.751 1.00 0.00 N ATOM 349 CZ ARG A 22 -6.387 6.877 -0.583 1.00 0.00 C ATOM 350 NH1 ARG A 22 -5.492 7.812 -0.768 1.00 0.00 N ATOM 351 NH2 ARG A 22 -7.614 7.149 -0.237 1.00 0.00 N ATOM 0 H ARG A 22 -3.537 1.565 -4.378 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.817 1.184 -2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.326 3.388 -3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.028 3.613 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.476 3.193 -1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.744 3.318 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.724 5.595 -2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.422 5.472 -2.838 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.021 4.990 0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.541 7.561 -1.039 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.745 8.792 -0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.285 6.393 -0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.903 8.118 -0.101 1.00 0.00 H new ATOM 365 N PRO A 23 -6.424 1.340 -5.910 1.00 0.00 N ATOM 366 CA PRO A 23 -7.448 1.019 -6.911 1.00 0.00 C ATOM 367 C PRO A 23 -7.687 -0.494 -6.989 1.00 0.00 C ATOM 368 O PRO A 23 -8.792 -0.939 -7.222 1.00 0.00 O ATOM 369 CB PRO A 23 -6.864 1.540 -8.262 1.00 0.00 C ATOM 370 CG PRO A 23 -5.379 1.948 -7.991 1.00 0.00 C ATOM 371 CD PRO A 23 -5.139 1.811 -6.463 1.00 0.00 C ATOM 0 HA PRO A 23 -8.408 1.474 -6.666 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.918 0.767 -9.029 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.438 2.392 -8.627 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.696 1.306 -8.547 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.194 2.971 -8.320 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.337 1.104 -6.252 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.847 2.765 -6.023 1.00 0.00 H new ATOM 379 N LYS A 24 -6.639 -1.249 -6.787 1.00 0.00 N ATOM 380 CA LYS A 24 -6.780 -2.722 -6.845 1.00 0.00 C ATOM 381 C LYS A 24 -7.972 -3.173 -6.027 1.00 0.00 C ATOM 382 O LYS A 24 -8.786 -3.950 -6.481 1.00 0.00 O ATOM 383 CB LYS A 24 -5.502 -3.355 -6.254 1.00 0.00 C ATOM 384 CG LYS A 24 -4.323 -3.172 -7.239 1.00 0.00 C ATOM 385 CD LYS A 24 -4.312 -4.323 -8.260 1.00 0.00 C ATOM 386 CE LYS A 24 -3.198 -4.081 -9.282 1.00 0.00 C ATOM 387 NZ LYS A 24 -2.921 -5.326 -10.049 1.00 0.00 N ATOM 0 H LYS A 24 -5.700 -0.906 -6.586 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.926 -3.031 -7.880 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.264 -2.890 -5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.666 -4.415 -6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.414 -2.217 -7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.380 -3.150 -6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.155 -5.274 -7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.276 -4.387 -8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.489 -3.282 -9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.293 -3.751 -8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.163 -5.148 -10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.624 -6.078 -9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.782 -5.624 -10.550 1.00 0.00 H new ATOM 401 N ILE A 25 -8.052 -2.670 -4.825 1.00 0.00 N ATOM 402 CA ILE A 25 -9.177 -3.040 -3.939 1.00 0.00 C ATOM 403 C ILE A 25 -10.303 -2.018 -4.080 1.00 0.00 C ATOM 404 O ILE A 25 -11.419 -2.365 -4.410 1.00 0.00 O ATOM 405 CB ILE A 25 -8.666 -3.054 -2.464 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.417 -2.171 -2.321 1.00 0.00 C ATOM 407 CG2 ILE A 25 -8.280 -4.503 -2.084 1.00 0.00 C ATOM 408 CD1 ILE A 25 -7.117 -1.924 -0.827 1.00 0.00 C ATOM 0 H ILE A 25 -7.380 -2.016 -4.423 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.556 -4.024 -4.213 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.455 -2.675 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.563 -2.653 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.572 -1.221 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.921 -4.526 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.153 -5.149 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.493 -4.857 -2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.230 -1.297 -0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.967 -1.423 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.942 -2.877 -0.329 1.00 0.00 H new ATOM 420 N LYS A 26 -9.987 -0.773 -3.832 1.00 0.00 N ATOM 421 CA LYS A 26 -11.023 0.278 -3.947 1.00 0.00 C ATOM 422 C LYS A 26 -11.758 0.120 -5.269 1.00 0.00 C ATOM 423 O LYS A 26 -12.882 0.554 -5.424 1.00 0.00 O ATOM 424 CB LYS A 26 -10.328 1.659 -3.897 1.00 0.00 C ATOM 425 CG LYS A 26 -11.384 2.781 -3.803 1.00 0.00 C ATOM 426 CD LYS A 26 -11.860 2.939 -2.352 1.00 0.00 C ATOM 427 CE LYS A 26 -12.706 4.210 -2.244 1.00 0.00 C ATOM 428 NZ LYS A 26 -11.861 5.416 -2.476 1.00 0.00 N ATOM 0 H LYS A 26 -9.060 -0.447 -3.557 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.740 0.193 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.658 1.707 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.715 1.799 -4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.960 3.720 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.231 2.548 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.445 2.070 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.005 2.997 -1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.515 4.179 -2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.167 4.265 -1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.283 6.234 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.905 5.248 -2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.804 5.609 -3.496 1.00 0.00 H new ATOM 442 N GLY A 27 -11.107 -0.523 -6.196 1.00 0.00 N ATOM 443 CA GLY A 27 -11.738 -0.728 -7.513 1.00 0.00 C ATOM 444 C GLY A 27 -12.965 -1.609 -7.335 1.00 0.00 C ATOM 445 O GLY A 27 -14.078 -1.201 -7.598 1.00 0.00 O ATOM 0 H GLY A 27 -10.169 -0.911 -6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.021 0.230 -7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.034 -1.196 -8.201 1.00 0.00 H new ATOM 449 N GLU A 28 -12.726 -2.808 -6.885 1.00 0.00 N ATOM 450 CA GLU A 28 -13.832 -3.740 -6.672 1.00 0.00 C ATOM 451 C GLU A 28 -14.610 -3.320 -5.436 1.00 0.00 C ATOM 452 O GLU A 28 -15.559 -3.967 -5.036 1.00 0.00 O ATOM 453 CB GLU A 28 -13.233 -5.140 -6.438 1.00 0.00 C ATOM 454 CG GLU A 28 -12.894 -5.780 -7.782 1.00 0.00 C ATOM 455 CD GLU A 28 -12.087 -7.057 -7.540 1.00 0.00 C ATOM 456 OE1 GLU A 28 -11.199 -6.985 -6.705 1.00 0.00 O ATOM 457 OE2 GLU A 28 -12.402 -8.031 -8.202 1.00 0.00 O ATOM 0 H GLU A 28 -11.801 -3.172 -6.658 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.499 -3.745 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.337 -5.065 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.942 -5.764 -5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.808 -6.011 -8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.322 -5.084 -8.396 1.00 0.00 H new ATOM 464 N HIS A 29 -14.176 -2.229 -4.850 1.00 0.00 N ATOM 465 CA HIS A 29 -14.843 -1.706 -3.633 1.00 0.00 C ATOM 466 C HIS A 29 -14.982 -0.180 -3.713 1.00 0.00 C ATOM 467 O HIS A 29 -14.349 0.539 -2.965 1.00 0.00 O ATOM 468 CB HIS A 29 -13.938 -2.047 -2.447 1.00 0.00 C ATOM 469 CG HIS A 29 -14.022 -3.545 -2.152 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.746 -4.057 -1.277 1.00 0.00 N ATOM 471 CD2 HIS A 29 -13.357 -4.604 -2.746 1.00 0.00 C ATOM 472 CE1 HIS A 29 -14.621 -5.316 -1.244 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.750 -5.765 -2.151 1.00 0.00 N ATOM 0 H HIS A 29 -13.380 -1.679 -5.172 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.836 -2.144 -3.531 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.908 -1.767 -2.670 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.241 -1.476 -1.569 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.642 -4.523 -3.551 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.158 -5.955 -0.559 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.457 -6.722 -2.346 1.00 0.00 H new ATOM 481 N PRO A 30 -15.819 0.292 -4.629 1.00 0.00 N ATOM 482 CA PRO A 30 -16.025 1.728 -4.792 1.00 0.00 C ATOM 483 C PRO A 30 -16.706 2.337 -3.553 1.00 0.00 C ATOM 484 O PRO A 30 -17.868 2.694 -3.585 1.00 0.00 O ATOM 485 CB PRO A 30 -16.935 1.857 -6.065 1.00 0.00 C ATOM 486 CG PRO A 30 -17.377 0.406 -6.462 1.00 0.00 C ATOM 487 CD PRO A 30 -16.601 -0.572 -5.541 1.00 0.00 C ATOM 0 HA PRO A 30 -15.085 2.268 -4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.804 2.481 -5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.391 2.331 -6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.453 0.283 -6.336 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.154 0.208 -7.510 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.284 -1.215 -4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.949 -1.225 -6.121 1.00 0.00 H new ATOM 495 N GLY A 31 -15.963 2.439 -2.473 1.00 0.00 N ATOM 496 CA GLY A 31 -16.563 3.023 -1.234 1.00 0.00 C ATOM 497 C GLY A 31 -15.854 2.532 0.042 1.00 0.00 C ATOM 498 O GLY A 31 -16.485 2.377 1.068 1.00 0.00 O ATOM 0 H GLY A 31 -14.988 2.149 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.507 4.110 -1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.620 2.760 -1.185 1.00 0.00 H new ATOM 502 N LEU A 32 -14.566 2.289 -0.032 1.00 0.00 N ATOM 503 CA LEU A 32 -13.866 1.814 1.198 1.00 0.00 C ATOM 504 C LEU A 32 -13.767 2.937 2.210 1.00 0.00 C ATOM 505 O LEU A 32 -13.802 4.102 1.864 1.00 0.00 O ATOM 506 CB LEU A 32 -12.397 1.398 0.865 1.00 0.00 C ATOM 507 CG LEU A 32 -12.295 0.011 0.198 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.808 -0.390 0.191 1.00 0.00 C ATOM 509 CD2 LEU A 32 -13.072 -1.043 1.006 1.00 0.00 C ATOM 0 H LEU A 32 -13.986 2.395 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.436 0.972 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.955 2.145 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.810 1.397 1.783 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.711 0.060 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.697 -1.369 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.235 0.347 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.438 -0.432 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.986 -2.013 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.659 -1.107 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.122 -0.757 1.062 1.00 0.00 H new ATOM 521 N SER A 33 -13.645 2.562 3.450 1.00 0.00 N ATOM 522 CA SER A 33 -13.532 3.566 4.515 1.00 0.00 C ATOM 523 C SER A 33 -12.058 3.848 4.753 1.00 0.00 C ATOM 524 O SER A 33 -11.239 2.958 4.637 1.00 0.00 O ATOM 525 CB SER A 33 -14.153 2.991 5.802 1.00 0.00 C ATOM 526 OG SER A 33 -15.247 2.209 5.342 1.00 0.00 O ATOM 0 H SER A 33 -13.620 1.592 3.764 1.00 0.00 H new ATOM 0 HA SER A 33 -14.048 4.484 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.435 2.385 6.354 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.484 3.784 6.473 1.00 0.00 H new ATOM 0 HG SER A 33 -15.702 1.801 6.108 1.00 0.00 H new ATOM 532 N ILE A 34 -11.731 5.060 5.071 1.00 0.00 N ATOM 533 CA ILE A 34 -10.299 5.375 5.312 1.00 0.00 C ATOM 534 C ILE A 34 -9.674 4.330 6.218 1.00 0.00 C ATOM 535 O ILE A 34 -8.493 4.048 6.131 1.00 0.00 O ATOM 536 CB ILE A 34 -10.210 6.739 6.001 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.878 7.834 5.131 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.719 7.081 6.235 1.00 0.00 C ATOM 539 CD1 ILE A 34 -9.936 8.309 4.001 1.00 0.00 C ATOM 0 H ILE A 34 -12.380 5.840 5.175 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.768 5.385 4.360 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.736 6.699 6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.800 7.445 4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.153 8.682 5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.641 8.051 6.726 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.265 6.317 6.867 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.199 7.116 5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.435 9.077 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.025 8.721 4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.683 7.465 3.360 1.00 0.00 H new ATOM 551 N GLY A 35 -10.480 3.773 7.067 1.00 0.00 N ATOM 552 CA GLY A 35 -9.960 2.741 7.990 1.00 0.00 C ATOM 553 C GLY A 35 -9.744 1.426 7.241 1.00 0.00 C ATOM 554 O GLY A 35 -8.846 0.689 7.548 1.00 0.00 O ATOM 0 H GLY A 35 -11.473 3.987 7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.021 3.076 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.661 2.590 8.811 1.00 0.00 H new ATOM 558 N ASP A 36 -10.574 1.169 6.260 1.00 0.00 N ATOM 559 CA ASP A 36 -10.427 -0.093 5.488 1.00 0.00 C ATOM 560 C ASP A 36 -9.323 0.009 4.476 1.00 0.00 C ATOM 561 O ASP A 36 -8.567 -0.918 4.273 1.00 0.00 O ATOM 562 CB ASP A 36 -11.749 -0.353 4.732 1.00 0.00 C ATOM 563 CG ASP A 36 -11.909 -1.855 4.478 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.898 -2.529 4.585 1.00 0.00 O ATOM 565 OD2 ASP A 36 -13.030 -2.241 4.192 1.00 0.00 O ATOM 0 H ASP A 36 -11.339 1.776 5.966 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.191 -0.900 6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.592 0.019 5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.751 0.188 3.786 1.00 0.00 H new ATOM 570 N VAL A 37 -9.250 1.127 3.860 1.00 0.00 N ATOM 571 CA VAL A 37 -8.214 1.315 2.859 1.00 0.00 C ATOM 572 C VAL A 37 -6.863 1.080 3.465 1.00 0.00 C ATOM 573 O VAL A 37 -6.226 0.082 3.226 1.00 0.00 O ATOM 574 CB VAL A 37 -8.278 2.777 2.368 1.00 0.00 C ATOM 575 CG1 VAL A 37 -7.145 3.022 1.380 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.612 3.023 1.676 1.00 0.00 C ATOM 0 H VAL A 37 -9.869 1.924 4.009 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.369 0.615 2.038 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.180 3.453 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.185 4.053 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.189 2.842 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.250 2.346 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.657 4.055 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.710 2.350 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.425 2.840 2.378 1.00 0.00 H new ATOM 586 N ALA A 38 -6.479 1.991 4.267 1.00 0.00 N ATOM 587 CA ALA A 38 -5.177 1.885 4.922 1.00 0.00 C ATOM 588 C ALA A 38 -4.951 0.514 5.582 1.00 0.00 C ATOM 589 O ALA A 38 -3.829 0.055 5.658 1.00 0.00 O ATOM 590 CB ALA A 38 -5.112 2.990 5.965 1.00 0.00 C ATOM 0 H ALA A 38 -7.019 2.823 4.505 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.391 1.988 4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.152 2.948 6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.219 3.958 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.918 2.857 6.687 1.00 0.00 H new ATOM 596 N LYS A 39 -6.006 -0.126 6.049 1.00 0.00 N ATOM 597 CA LYS A 39 -5.802 -1.455 6.689 1.00 0.00 C ATOM 598 C LYS A 39 -5.453 -2.501 5.639 1.00 0.00 C ATOM 599 O LYS A 39 -4.443 -3.171 5.740 1.00 0.00 O ATOM 600 CB LYS A 39 -7.111 -1.867 7.432 1.00 0.00 C ATOM 601 CG LYS A 39 -7.007 -1.535 8.949 1.00 0.00 C ATOM 602 CD LYS A 39 -6.400 -0.118 9.166 1.00 0.00 C ATOM 603 CE LYS A 39 -6.941 0.482 10.476 1.00 0.00 C ATOM 604 NZ LYS A 39 -8.330 0.989 10.293 1.00 0.00 N ATOM 0 H LYS A 39 -6.969 0.209 6.013 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.978 -1.390 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.963 -1.344 6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.291 -2.934 7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.996 -1.585 9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.388 -2.281 9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.312 -0.180 9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.653 0.529 8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.926 -0.274 11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.293 1.295 10.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.351 2.014 10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.645 0.795 9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.965 0.512 10.965 1.00 0.00 H new ATOM 618 N LYS A 40 -6.290 -2.628 4.658 1.00 0.00 N ATOM 619 CA LYS A 40 -6.013 -3.624 3.601 1.00 0.00 C ATOM 620 C LYS A 40 -4.612 -3.410 3.062 1.00 0.00 C ATOM 621 O LYS A 40 -3.859 -4.341 2.876 1.00 0.00 O ATOM 622 CB LYS A 40 -7.033 -3.434 2.459 1.00 0.00 C ATOM 623 CG LYS A 40 -8.422 -3.904 2.929 1.00 0.00 C ATOM 624 CD LYS A 40 -9.326 -4.109 1.708 1.00 0.00 C ATOM 625 CE LYS A 40 -10.716 -4.560 2.172 1.00 0.00 C ATOM 626 NZ LYS A 40 -11.510 -5.074 1.020 1.00 0.00 N ATOM 0 H LYS A 40 -7.148 -2.089 4.543 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.094 -4.631 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.073 -2.386 2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.723 -4.001 1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.333 -4.834 3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.860 -3.166 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.403 -3.182 1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.893 -4.856 1.043 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.618 -5.338 2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.239 -3.725 2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.448 -5.375 1.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.619 -4.322 0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.017 -5.884 0.593 1.00 0.00 H new ATOM 640 N LEU A 41 -4.284 -2.179 2.824 1.00 0.00 N ATOM 641 CA LEU A 41 -2.946 -1.881 2.304 1.00 0.00 C ATOM 642 C LEU A 41 -1.929 -2.135 3.368 1.00 0.00 C ATOM 643 O LEU A 41 -0.857 -2.644 3.108 1.00 0.00 O ATOM 644 CB LEU A 41 -2.900 -0.400 1.916 1.00 0.00 C ATOM 645 CG LEU A 41 -4.000 -0.110 0.900 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.896 1.379 0.438 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.859 -1.073 -0.309 1.00 0.00 C ATOM 0 H LEU A 41 -4.889 -1.371 2.969 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.732 -2.511 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.032 0.224 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.926 -0.153 1.495 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.978 -0.268 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.681 1.590 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.013 2.036 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.922 1.551 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.646 -0.864 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.886 -0.928 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.946 -2.104 0.035 1.00 0.00 H new ATOM 659 N GLY A 42 -2.277 -1.779 4.554 1.00 0.00 N ATOM 660 CA GLY A 42 -1.347 -1.993 5.660 1.00 0.00 C ATOM 661 C GLY A 42 -1.100 -3.492 5.813 1.00 0.00 C ATOM 662 O GLY A 42 -0.062 -3.917 6.277 1.00 0.00 O ATOM 0 H GLY A 42 -3.168 -1.348 4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.408 -1.473 5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.757 -1.582 6.583 1.00 0.00 H new ATOM 666 N GLU A 43 -2.084 -4.267 5.405 1.00 0.00 N ATOM 667 CA GLU A 43 -1.960 -5.731 5.501 1.00 0.00 C ATOM 668 C GLU A 43 -1.100 -6.257 4.356 1.00 0.00 C ATOM 669 O GLU A 43 -0.029 -6.785 4.576 1.00 0.00 O ATOM 670 CB GLU A 43 -3.383 -6.335 5.399 1.00 0.00 C ATOM 671 CG GLU A 43 -4.045 -6.327 6.785 1.00 0.00 C ATOM 672 CD GLU A 43 -5.362 -7.105 6.721 1.00 0.00 C ATOM 673 OE1 GLU A 43 -5.914 -7.149 5.633 1.00 0.00 O ATOM 674 OE2 GLU A 43 -5.743 -7.613 7.763 1.00 0.00 O ATOM 0 H GLU A 43 -2.963 -3.931 5.011 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.490 -6.009 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.984 -5.760 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.330 -7.354 5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.379 -6.777 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.230 -5.302 7.106 1.00 0.00 H new ATOM 681 N MET A 44 -1.586 -6.101 3.145 1.00 0.00 N ATOM 682 CA MET A 44 -0.799 -6.589 1.979 1.00 0.00 C ATOM 683 C MET A 44 0.638 -6.122 2.105 1.00 0.00 C ATOM 684 O MET A 44 1.566 -6.879 1.894 1.00 0.00 O ATOM 685 CB MET A 44 -1.421 -6.004 0.684 1.00 0.00 C ATOM 686 CG MET A 44 -2.592 -6.885 0.249 1.00 0.00 C ATOM 687 SD MET A 44 -3.584 -6.310 -1.148 1.00 0.00 S ATOM 688 CE MET A 44 -4.074 -4.730 -0.425 1.00 0.00 C ATOM 0 H MET A 44 -2.480 -5.663 2.921 1.00 0.00 H new ATOM 0 HA MET A 44 -0.819 -7.678 1.945 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.763 -4.984 0.859 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.671 -5.958 -0.106 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.199 -7.871 0.001 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.255 -7.012 1.105 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.869 -4.286 -1.025 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.433 -4.891 0.592 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.216 -4.057 -0.405 1.00 0.00 H new ATOM 698 N TRP A 45 0.792 -4.879 2.449 1.00 0.00 N ATOM 699 CA TRP A 45 2.149 -4.331 2.603 1.00 0.00 C ATOM 700 C TRP A 45 2.911 -5.174 3.591 1.00 0.00 C ATOM 701 O TRP A 45 3.912 -5.778 3.274 1.00 0.00 O ATOM 702 CB TRP A 45 2.013 -2.918 3.167 1.00 0.00 C ATOM 703 CG TRP A 45 3.382 -2.368 3.547 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.781 -2.192 4.791 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.271 -1.925 2.698 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.973 -1.602 4.662 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.362 -1.391 3.357 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.216 -1.886 1.323 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.380 -0.823 2.645 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.243 -1.317 0.613 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.319 -0.781 1.275 1.00 0.00 C ATOM 0 H TRP A 45 0.032 -4.223 2.629 1.00 0.00 H new ATOM 0 HA TRP A 45 2.673 -4.324 1.647 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.544 -2.268 2.429 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.362 -2.929 4.041 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.265 -2.461 5.701 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.546 -1.331 5.461 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.366 -2.303 0.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.233 -0.407 3.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.205 -1.291 -0.466 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.121 -0.324 0.715 1.00 0.00 H new ATOM 722 N ASN A 46 2.419 -5.189 4.788 1.00 0.00 N ATOM 723 CA ASN A 46 3.082 -5.985 5.840 1.00 0.00 C ATOM 724 C ASN A 46 3.416 -7.372 5.303 1.00 0.00 C ATOM 725 O ASN A 46 4.454 -7.931 5.596 1.00 0.00 O ATOM 726 CB ASN A 46 2.099 -6.132 7.015 1.00 0.00 C ATOM 727 CG ASN A 46 2.097 -4.844 7.841 1.00 0.00 C ATOM 728 OD1 ASN A 46 3.058 -4.102 7.856 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.037 -4.541 8.541 1.00 0.00 N ATOM 0 H ASN A 46 1.584 -4.683 5.084 1.00 0.00 H new ATOM 0 HA ASN A 46 4.000 -5.492 6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.096 -6.338 6.641 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.386 -6.977 7.640 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.020 -3.685 9.096 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.226 -5.160 8.533 1.00 0.00 H new ATOM 736 N ASN A 47 2.512 -7.894 4.518 1.00 0.00 N ATOM 737 CA ASN A 47 2.723 -9.231 3.938 1.00 0.00 C ATOM 738 C ASN A 47 3.676 -9.172 2.741 1.00 0.00 C ATOM 739 O ASN A 47 4.295 -10.158 2.391 1.00 0.00 O ATOM 740 CB ASN A 47 1.362 -9.755 3.466 1.00 0.00 C ATOM 741 CG ASN A 47 0.354 -9.655 4.617 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.718 -9.470 5.762 1.00 0.00 O ATOM 743 ND2 ASN A 47 -0.919 -9.772 4.357 1.00 0.00 N ATOM 0 H ASN A 47 1.635 -7.442 4.258 1.00 0.00 H new ATOM 0 HA ASN A 47 3.165 -9.885 4.690 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.013 -9.176 2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.452 -10.790 3.135 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.602 -9.708 5.112 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.232 -9.927 3.399 1.00 0.00 H new ATOM 750 N THR A 48 3.777 -8.015 2.131 1.00 0.00 N ATOM 751 CA THR A 48 4.682 -7.888 0.959 1.00 0.00 C ATOM 752 C THR A 48 6.086 -8.356 1.307 1.00 0.00 C ATOM 753 O THR A 48 6.700 -7.867 2.237 1.00 0.00 O ATOM 754 CB THR A 48 4.746 -6.413 0.533 1.00 0.00 C ATOM 755 OG1 THR A 48 3.413 -6.050 0.237 1.00 0.00 O ATOM 756 CG2 THR A 48 5.495 -6.250 -0.804 1.00 0.00 C ATOM 0 H THR A 48 3.276 -7.166 2.394 1.00 0.00 H new ATOM 0 HA THR A 48 4.293 -8.507 0.150 1.00 0.00 H new ATOM 0 HB THR A 48 5.233 -5.830 1.314 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.799 -6.691 0.653 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.524 -5.196 -1.079 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.513 -6.625 -0.699 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.979 -6.814 -1.581 1.00 0.00 H new ATOM 764 N ALA A 49 6.568 -9.297 0.553 1.00 0.00 N ATOM 765 CA ALA A 49 7.923 -9.817 0.812 1.00 0.00 C ATOM 766 C ALA A 49 8.959 -8.703 0.743 1.00 0.00 C ATOM 767 O ALA A 49 8.808 -7.755 0.002 1.00 0.00 O ATOM 768 CB ALA A 49 8.249 -10.861 -0.263 1.00 0.00 C ATOM 0 H ALA A 49 6.078 -9.726 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 49 7.951 -10.254 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.249 -11.260 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.522 -11.671 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.209 -10.394 -1.247 1.00 0.00 H new ATOM 774 N ALA A 50 9.994 -8.835 1.523 1.00 0.00 N ATOM 775 CA ALA A 50 11.044 -7.798 1.512 1.00 0.00 C ATOM 776 C ALA A 50 11.554 -7.576 0.092 1.00 0.00 C ATOM 777 O ALA A 50 11.750 -6.455 -0.333 1.00 0.00 O ATOM 778 CB ALA A 50 12.207 -8.281 2.397 1.00 0.00 C ATOM 0 H ALA A 50 10.152 -9.614 2.162 1.00 0.00 H new ATOM 0 HA ALA A 50 10.636 -6.860 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.996 -7.529 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.849 -8.440 3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.601 -9.217 2.001 1.00 0.00 H new ATOM 784 N ASP A 51 11.760 -8.653 -0.614 1.00 0.00 N ATOM 785 CA ASP A 51 12.255 -8.535 -2.000 1.00 0.00 C ATOM 786 C ASP A 51 11.315 -7.672 -2.838 1.00 0.00 C ATOM 787 O ASP A 51 11.704 -7.126 -3.852 1.00 0.00 O ATOM 788 CB ASP A 51 12.322 -9.954 -2.610 1.00 0.00 C ATOM 789 CG ASP A 51 13.313 -9.961 -3.777 1.00 0.00 C ATOM 790 OD1 ASP A 51 13.018 -9.279 -4.744 1.00 0.00 O ATOM 791 OD2 ASP A 51 14.311 -10.651 -3.636 1.00 0.00 O ATOM 0 H ASP A 51 11.605 -9.606 -0.285 1.00 0.00 H new ATOM 0 HA ASP A 51 13.239 -8.066 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.631 -10.673 -1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.335 -10.260 -2.955 1.00 0.00 H new ATOM 796 N ASP A 52 10.084 -7.566 -2.394 1.00 0.00 N ATOM 797 CA ASP A 52 9.091 -6.743 -3.145 1.00 0.00 C ATOM 798 C ASP A 52 9.022 -5.327 -2.579 1.00 0.00 C ATOM 799 O ASP A 52 8.493 -4.432 -3.206 1.00 0.00 O ATOM 800 CB ASP A 52 7.719 -7.411 -2.999 1.00 0.00 C ATOM 801 CG ASP A 52 7.668 -8.653 -3.889 1.00 0.00 C ATOM 802 OD1 ASP A 52 8.583 -9.451 -3.756 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.720 -8.734 -4.653 1.00 0.00 O ATOM 0 H ASP A 52 9.729 -8.012 -1.548 1.00 0.00 H new ATOM 0 HA ASP A 52 9.388 -6.679 -4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.544 -7.687 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.930 -6.714 -3.281 1.00 0.00 H new ATOM 808 N LYS A 53 9.544 -5.155 -1.389 1.00 0.00 N ATOM 809 CA LYS A 53 9.522 -3.806 -0.764 1.00 0.00 C ATOM 810 C LYS A 53 10.701 -2.982 -1.272 1.00 0.00 C ATOM 811 O LYS A 53 10.746 -1.778 -1.116 1.00 0.00 O ATOM 812 CB LYS A 53 9.662 -3.973 0.765 1.00 0.00 C ATOM 813 CG LYS A 53 8.334 -4.481 1.358 1.00 0.00 C ATOM 814 CD LYS A 53 8.317 -4.215 2.868 1.00 0.00 C ATOM 815 CE LYS A 53 6.970 -4.666 3.441 1.00 0.00 C ATOM 816 NZ LYS A 53 6.777 -4.128 4.818 1.00 0.00 N ATOM 0 H LYS A 53 9.981 -5.888 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 53 8.589 -3.301 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.464 -4.675 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.934 -3.021 1.221 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.493 -3.979 0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.220 -5.548 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.131 -4.753 3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.473 -3.154 3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.161 -4.324 2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.924 -5.755 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.291 -4.837 5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.703 -3.908 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.202 -3.262 4.775 1.00 0.00 H new ATOM 830 N GLN A 54 11.630 -3.662 -1.875 1.00 0.00 N ATOM 831 CA GLN A 54 12.824 -2.983 -2.413 1.00 0.00 C ATOM 832 C GLN A 54 12.477 -1.721 -3.259 1.00 0.00 C ATOM 833 O GLN A 54 12.931 -0.647 -2.957 1.00 0.00 O ATOM 834 CB GLN A 54 13.605 -4.016 -3.279 1.00 0.00 C ATOM 835 CG GLN A 54 14.857 -4.501 -2.522 1.00 0.00 C ATOM 836 CD GLN A 54 15.696 -5.390 -3.440 1.00 0.00 C ATOM 837 OE1 GLN A 54 15.446 -5.490 -4.624 1.00 0.00 O ATOM 838 NE2 GLN A 54 16.701 -6.048 -2.934 1.00 0.00 N ATOM 0 H GLN A 54 11.608 -4.672 -2.017 1.00 0.00 H new ATOM 0 HA GLN A 54 13.428 -2.626 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.962 -4.864 -3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.896 -3.562 -4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.446 -3.647 -2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.564 -5.055 -1.630 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.915 -5.967 -1.940 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.274 -6.644 -3.532 1.00 0.00 H new ATOM 847 N PRO A 55 11.680 -1.867 -4.310 1.00 0.00 N ATOM 848 CA PRO A 55 11.328 -0.715 -5.136 1.00 0.00 C ATOM 849 C PRO A 55 10.884 0.479 -4.305 1.00 0.00 C ATOM 850 O PRO A 55 11.275 1.597 -4.559 1.00 0.00 O ATOM 851 CB PRO A 55 10.146 -1.211 -6.025 1.00 0.00 C ATOM 852 CG PRO A 55 10.027 -2.757 -5.814 1.00 0.00 C ATOM 853 CD PRO A 55 11.060 -3.146 -4.724 1.00 0.00 C ATOM 0 HA PRO A 55 12.188 -0.373 -5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.218 -0.712 -5.745 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.329 -0.979 -7.074 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.018 -3.027 -5.503 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.228 -3.290 -6.743 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.577 -3.642 -3.882 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.806 -3.838 -5.116 1.00 0.00 H new ATOM 861 N TYR A 56 10.093 0.213 -3.332 1.00 0.00 N ATOM 862 CA TYR A 56 9.602 1.311 -2.471 1.00 0.00 C ATOM 863 C TYR A 56 10.690 1.916 -1.598 1.00 0.00 C ATOM 864 O TYR A 56 10.941 3.104 -1.668 1.00 0.00 O ATOM 865 CB TYR A 56 8.508 0.747 -1.585 1.00 0.00 C ATOM 866 CG TYR A 56 7.312 0.403 -2.457 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.543 1.403 -2.980 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.967 -0.904 -2.697 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.427 1.112 -3.732 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.853 -1.208 -3.450 1.00 0.00 C ATOM 871 CZ TYR A 56 5.071 -0.199 -3.974 1.00 0.00 C ATOM 872 OH TYR A 56 3.950 -0.497 -4.725 1.00 0.00 O ATOM 0 H TYR A 56 9.758 -0.719 -3.087 1.00 0.00 H new ATOM 0 HA TYR A 56 9.238 2.111 -3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.864 -0.141 -1.062 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.225 1.473 -0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.813 2.433 -2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.574 -1.701 -2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.827 1.914 -4.135 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.591 -2.240 -3.631 1.00 0.00 H new ATOM 0 HH TYR A 56 3.852 -1.470 -4.795 1.00 0.00 H new ATOM 882 N GLU A 57 11.322 1.116 -0.790 1.00 0.00 N ATOM 883 CA GLU A 57 12.382 1.692 0.067 1.00 0.00 C ATOM 884 C GLU A 57 13.438 2.321 -0.813 1.00 0.00 C ATOM 885 O GLU A 57 13.929 3.402 -0.552 1.00 0.00 O ATOM 886 CB GLU A 57 12.984 0.559 0.943 1.00 0.00 C ATOM 887 CG GLU A 57 14.031 -0.238 0.171 1.00 0.00 C ATOM 888 CD GLU A 57 14.427 -1.471 0.988 1.00 0.00 C ATOM 889 OE1 GLU A 57 15.305 -1.309 1.822 1.00 0.00 O ATOM 890 OE2 GLU A 57 13.832 -2.504 0.735 1.00 0.00 O ATOM 0 H GLU A 57 11.155 0.115 -0.688 1.00 0.00 H new ATOM 0 HA GLU A 57 11.976 2.463 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.436 0.988 1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.189 -0.108 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.634 -0.541 -0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.907 0.381 -0.023 1.00 0.00 H new ATOM 897 N LYS A 58 13.756 1.615 -1.833 1.00 0.00 N ATOM 898 CA LYS A 58 14.773 2.099 -2.788 1.00 0.00 C ATOM 899 C LYS A 58 14.381 3.473 -3.306 1.00 0.00 C ATOM 900 O LYS A 58 15.210 4.350 -3.444 1.00 0.00 O ATOM 901 CB LYS A 58 14.827 1.099 -3.974 1.00 0.00 C ATOM 902 CG LYS A 58 15.919 1.521 -4.981 1.00 0.00 C ATOM 903 CD LYS A 58 17.319 1.344 -4.347 1.00 0.00 C ATOM 904 CE LYS A 58 18.366 1.189 -5.459 1.00 0.00 C ATOM 905 NZ LYS A 58 18.345 2.371 -6.366 1.00 0.00 N ATOM 0 H LYS A 58 13.352 0.706 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 58 15.745 2.171 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.033 0.095 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.858 1.062 -4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.842 0.920 -5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.772 2.560 -5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.559 2.205 -3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.329 0.468 -3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.357 1.078 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.167 0.282 -6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.207 2.378 -6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.511 2.319 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.302 3.242 -5.800 1.00 0.00 H new ATOM 919 N LYS A 59 13.117 3.634 -3.584 1.00 0.00 N ATOM 920 CA LYS A 59 12.647 4.925 -4.088 1.00 0.00 C ATOM 921 C LYS A 59 12.921 6.007 -3.068 1.00 0.00 C ATOM 922 O LYS A 59 13.549 7.006 -3.360 1.00 0.00 O ATOM 923 CB LYS A 59 11.130 4.812 -4.302 1.00 0.00 C ATOM 924 CG LYS A 59 10.647 5.974 -5.168 1.00 0.00 C ATOM 925 CD LYS A 59 9.112 5.974 -5.193 1.00 0.00 C ATOM 926 CE LYS A 59 8.602 4.812 -6.060 1.00 0.00 C ATOM 927 NZ LYS A 59 7.166 5.010 -6.400 1.00 0.00 N ATOM 0 H LYS A 59 12.399 2.917 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 59 13.159 5.178 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.890 3.863 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.615 4.823 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.017 6.919 -4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.040 5.878 -6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.723 5.880 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.746 6.922 -5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.193 4.745 -6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.730 3.869 -5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.835 4.217 -6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.605 5.052 -5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.053 5.900 -6.926 1.00 0.00 H new ATOM 941 N ALA A 60 12.442 5.783 -1.883 1.00 0.00 N ATOM 942 CA ALA A 60 12.651 6.774 -0.815 1.00 0.00 C ATOM 943 C ALA A 60 14.134 7.106 -0.659 1.00 0.00 C ATOM 944 O ALA A 60 14.483 8.173 -0.194 1.00 0.00 O ATOM 945 CB ALA A 60 12.135 6.186 0.506 1.00 0.00 C ATOM 0 H ALA A 60 11.914 4.953 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 60 12.115 7.687 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.283 6.909 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.073 5.959 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.682 5.272 0.736 1.00 0.00 H new