USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=15 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 26:sc= 0.69 USER MOD Single : A 18 CYS SG : rot 180:sc= -6.6! USER MOD Single : A 19 SER OG : rot 180:sc= 0.803 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 158:sc= -0.0247 (180deg=-0.245) USER MOD Single : A 26 LYS NZ :NH3+ -116:sc= -2.38 (180deg=-5.67!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0445 X(o=-0.045,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.303) USER MOD Single : A 40 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.312) USER MOD Single : A 44 MET CE :methyl -166:sc= -0.873 (180deg=-1.25) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 47 ASN : amide:sc= -2.5! K(o=-2.5!,f=-1.9) USER MOD Single : A 48 THR OG1 : rot 68:sc= 0.739 USER MOD Single : A 53 LYS NZ :NH3+ -113:sc= 0.965 (180deg=-1.77!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.627 USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= -0.0115 (180deg=-0.218) USER MOD Single : A 59 LYS NZ :NH3+ 179:sc= -2.04 (180deg=-2.1) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 5.267 7.479 3.369 1.00 0.00 N ATOM 184 CA SER A 12 5.836 6.247 4.006 1.00 0.00 C ATOM 185 C SER A 12 6.107 5.170 2.956 1.00 0.00 C ATOM 186 O SER A 12 5.547 5.196 1.894 1.00 0.00 O ATOM 187 CB SER A 12 4.809 5.708 5.012 1.00 0.00 C ATOM 188 OG SER A 12 4.319 6.871 5.662 1.00 0.00 O ATOM 0 HA SER A 12 6.775 6.499 4.498 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.008 5.164 4.511 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.269 5.019 5.721 1.00 0.00 H new ATOM 0 HG SER A 12 4.412 7.643 5.065 1.00 0.00 H new ATOM 194 N ALA A 13 6.948 4.232 3.284 1.00 0.00 N ATOM 195 CA ALA A 13 7.256 3.159 2.307 1.00 0.00 C ATOM 196 C ALA A 13 6.005 2.483 1.820 1.00 0.00 C ATOM 197 O ALA A 13 5.764 2.380 0.633 1.00 0.00 O ATOM 198 CB ALA A 13 8.119 2.094 3.004 1.00 0.00 C ATOM 0 H ALA A 13 7.431 4.163 4.180 1.00 0.00 H new ATOM 0 HA ALA A 13 7.771 3.610 1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.354 1.297 2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.044 2.550 3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.572 1.679 3.850 1.00 0.00 H new ATOM 204 N PHE A 14 5.231 2.032 2.743 1.00 0.00 N ATOM 205 CA PHE A 14 3.976 1.345 2.379 1.00 0.00 C ATOM 206 C PHE A 14 2.936 2.314 1.798 1.00 0.00 C ATOM 207 O PHE A 14 1.843 1.915 1.460 1.00 0.00 O ATOM 208 CB PHE A 14 3.450 0.614 3.669 1.00 0.00 C ATOM 209 CG PHE A 14 1.990 0.947 4.008 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.610 2.243 4.245 1.00 0.00 C ATOM 211 CD2 PHE A 14 1.046 -0.066 4.098 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.304 2.542 4.569 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.258 0.225 4.421 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.633 1.531 4.658 1.00 0.00 C ATOM 0 H PHE A 14 5.411 2.108 3.744 1.00 0.00 H new ATOM 0 HA PHE A 14 4.162 0.619 1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.546 -0.463 3.532 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.082 0.885 4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.340 3.036 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.338 -1.089 3.913 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.014 3.566 4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.988 -0.568 4.489 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.657 1.763 4.913 1.00 0.00 H new ATOM 224 N PHE A 15 3.251 3.579 1.754 1.00 0.00 N ATOM 225 CA PHE A 15 2.253 4.517 1.188 1.00 0.00 C ATOM 226 C PHE A 15 2.293 4.373 -0.307 1.00 0.00 C ATOM 227 O PHE A 15 1.290 4.176 -0.942 1.00 0.00 O ATOM 228 CB PHE A 15 2.598 5.954 1.570 1.00 0.00 C ATOM 229 CG PHE A 15 1.554 6.884 0.948 1.00 0.00 C ATOM 230 CD1 PHE A 15 1.716 7.369 -0.340 1.00 0.00 C ATOM 231 CD2 PHE A 15 0.414 7.225 1.653 1.00 0.00 C ATOM 232 CE1 PHE A 15 0.758 8.180 -0.906 1.00 0.00 C ATOM 233 CE2 PHE A 15 -0.545 8.037 1.082 1.00 0.00 C ATOM 234 CZ PHE A 15 -0.373 8.513 -0.197 1.00 0.00 C ATOM 0 H PHE A 15 4.127 3.990 2.075 1.00 0.00 H new ATOM 0 HA PHE A 15 1.261 4.289 1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.608 6.066 2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.595 6.212 1.214 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.600 7.109 -0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.273 6.853 2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.895 8.556 -1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.432 8.299 1.640 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.124 9.147 -0.644 1.00 0.00 H new ATOM 244 N LEU A 16 3.470 4.469 -0.854 1.00 0.00 N ATOM 245 CA LEU A 16 3.592 4.333 -2.303 1.00 0.00 C ATOM 246 C LEU A 16 2.989 3.010 -2.703 1.00 0.00 C ATOM 247 O LEU A 16 2.550 2.823 -3.818 1.00 0.00 O ATOM 248 CB LEU A 16 5.081 4.304 -2.667 1.00 0.00 C ATOM 249 CG LEU A 16 5.732 5.677 -2.361 1.00 0.00 C ATOM 250 CD1 LEU A 16 6.183 5.739 -0.896 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.955 5.868 -3.262 1.00 0.00 C ATOM 0 H LEU A 16 4.342 4.635 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 16 3.090 5.159 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.586 3.520 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.200 4.064 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 16 4.999 6.462 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.638 6.709 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.321 5.602 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.911 4.950 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.416 6.833 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.675 5.072 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.646 5.835 -4.307 1.00 0.00 H new ATOM 263 N PHE A 17 2.968 2.110 -1.754 1.00 0.00 N ATOM 264 CA PHE A 17 2.408 0.791 -2.024 1.00 0.00 C ATOM 265 C PHE A 17 0.890 0.927 -2.105 1.00 0.00 C ATOM 266 O PHE A 17 0.226 0.235 -2.847 1.00 0.00 O ATOM 267 CB PHE A 17 2.828 -0.092 -0.865 1.00 0.00 C ATOM 268 CG PHE A 17 2.121 -1.411 -0.906 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.928 -1.570 -0.240 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.702 -2.491 -1.530 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.328 -2.800 -0.185 1.00 0.00 C ATOM 272 CE2 PHE A 17 2.100 -3.719 -1.480 1.00 0.00 C ATOM 273 CZ PHE A 17 0.913 -3.872 -0.803 1.00 0.00 C ATOM 0 H PHE A 17 3.320 2.250 -0.807 1.00 0.00 H new ATOM 0 HA PHE A 17 2.757 0.360 -2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.906 -0.253 -0.899 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.610 0.411 0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.463 -0.722 0.241 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.635 -2.369 -2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.605 -2.924 0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.556 -4.566 -1.971 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.440 -4.842 -0.759 1.00 0.00 H new ATOM 283 N CYS A 18 0.382 1.818 -1.296 1.00 0.00 N ATOM 284 CA CYS A 18 -1.075 2.070 -1.267 1.00 0.00 C ATOM 285 C CYS A 18 -1.564 2.483 -2.655 1.00 0.00 C ATOM 286 O CYS A 18 -2.548 1.977 -3.141 1.00 0.00 O ATOM 287 CB CYS A 18 -1.314 3.268 -0.287 1.00 0.00 C ATOM 288 SG CYS A 18 -2.992 3.591 0.308 1.00 0.00 S ATOM 0 H CYS A 18 0.928 2.386 -0.648 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.607 1.172 -0.953 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.680 3.111 0.585 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.960 4.173 -0.780 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.979 4.617 1.106 1.00 0.00 H new ATOM 294 N SER A 19 -0.831 3.383 -3.269 1.00 0.00 N ATOM 295 CA SER A 19 -1.200 3.865 -4.610 1.00 0.00 C ATOM 296 C SER A 19 -1.413 2.728 -5.591 1.00 0.00 C ATOM 297 O SER A 19 -2.407 2.679 -6.277 1.00 0.00 O ATOM 298 CB SER A 19 -0.046 4.738 -5.114 1.00 0.00 C ATOM 299 OG SER A 19 0.298 5.537 -3.994 1.00 0.00 O ATOM 0 H SER A 19 0.015 3.800 -2.881 1.00 0.00 H new ATOM 0 HA SER A 19 -2.138 4.416 -4.540 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.797 4.132 -5.445 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.351 5.351 -5.962 1.00 0.00 H new ATOM 0 HG SER A 19 1.040 6.132 -4.232 1.00 0.00 H new ATOM 305 N GLU A 20 -0.473 1.847 -5.651 1.00 0.00 N ATOM 306 CA GLU A 20 -0.606 0.703 -6.588 1.00 0.00 C ATOM 307 C GLU A 20 -1.704 -0.261 -6.136 1.00 0.00 C ATOM 308 O GLU A 20 -2.424 -0.800 -6.948 1.00 0.00 O ATOM 309 CB GLU A 20 0.771 -0.078 -6.676 1.00 0.00 C ATOM 310 CG GLU A 20 1.814 0.580 -5.789 1.00 0.00 C ATOM 311 CD GLU A 20 2.161 1.962 -6.359 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.329 2.473 -7.090 1.00 0.00 O ATOM 313 OE2 GLU A 20 3.245 2.420 -6.042 1.00 0.00 O ATOM 0 H GLU A 20 0.383 1.863 -5.096 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.876 1.099 -7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.628 -1.115 -6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.121 -0.095 -7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.435 0.678 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.709 -0.041 -5.737 1.00 0.00 H new ATOM 320 N TYR A 21 -1.806 -0.465 -4.844 1.00 0.00 N ATOM 321 CA TYR A 21 -2.843 -1.389 -4.321 1.00 0.00 C ATOM 322 C TYR A 21 -4.109 -0.679 -3.874 1.00 0.00 C ATOM 323 O TYR A 21 -4.915 -1.254 -3.178 1.00 0.00 O ATOM 324 CB TYR A 21 -2.225 -2.111 -3.134 1.00 0.00 C ATOM 325 CG TYR A 21 -1.302 -3.202 -3.637 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.030 -2.930 -3.898 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.776 -4.483 -3.811 1.00 0.00 C ATOM 328 CE1 TYR A 21 0.876 -3.935 -4.320 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.931 -5.490 -4.237 1.00 0.00 C ATOM 330 CZ TYR A 21 0.402 -5.225 -4.495 1.00 0.00 C ATOM 331 OH TYR A 21 1.247 -6.230 -4.925 1.00 0.00 O ATOM 0 H TYR A 21 -1.214 -0.030 -4.136 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.143 -2.068 -5.119 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.670 -1.407 -2.514 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.007 -2.540 -2.508 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.409 -1.927 -3.771 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.815 -4.702 -3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.915 -3.714 -4.515 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.314 -6.491 -4.369 1.00 0.00 H new ATOM 0 HH TYR A 21 0.748 -7.071 -4.992 1.00 0.00 H new ATOM 341 N ARG A 22 -4.262 0.547 -4.262 1.00 0.00 N ATOM 342 CA ARG A 22 -5.494 1.293 -3.855 1.00 0.00 C ATOM 343 C ARG A 22 -6.625 1.037 -4.872 1.00 0.00 C ATOM 344 O ARG A 22 -7.647 0.524 -4.509 1.00 0.00 O ATOM 345 CB ARG A 22 -5.197 2.836 -3.726 1.00 0.00 C ATOM 346 CG ARG A 22 -5.129 3.216 -2.230 1.00 0.00 C ATOM 347 CD ARG A 22 -4.899 4.722 -2.090 1.00 0.00 C ATOM 348 NE ARG A 22 -3.525 5.049 -2.553 1.00 0.00 N ATOM 349 CZ ARG A 22 -3.130 6.294 -2.569 1.00 0.00 C ATOM 350 NH1 ARG A 22 -3.957 7.225 -2.171 1.00 0.00 N ATOM 351 NH2 ARG A 22 -1.928 6.568 -2.989 1.00 0.00 N ATOM 0 H ARG A 22 -3.601 1.069 -4.837 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.814 0.931 -2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.256 3.080 -4.219 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.977 3.412 -4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.055 2.932 -1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.323 2.668 -1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.635 5.271 -2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.029 5.027 -1.052 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.895 4.306 -2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.894 6.974 -1.855 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.666 8.202 -2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.312 5.816 -3.298 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.603 7.534 -3.008 1.00 0.00 H new ATOM 365 N PRO A 23 -6.423 1.384 -6.144 1.00 0.00 N ATOM 366 CA PRO A 23 -7.463 1.159 -7.137 1.00 0.00 C ATOM 367 C PRO A 23 -7.806 -0.330 -7.198 1.00 0.00 C ATOM 368 O PRO A 23 -8.906 -0.703 -7.539 1.00 0.00 O ATOM 369 CB PRO A 23 -6.846 1.636 -8.487 1.00 0.00 C ATOM 370 CG PRO A 23 -5.348 1.963 -8.199 1.00 0.00 C ATOM 371 CD PRO A 23 -5.183 1.986 -6.662 1.00 0.00 C ATOM 0 HA PRO A 23 -8.385 1.693 -6.905 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.934 0.862 -9.249 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.369 2.515 -8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.696 1.213 -8.647 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.072 2.925 -8.632 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.307 1.418 -6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.052 3.003 -6.293 1.00 0.00 H new ATOM 379 N LYS A 24 -6.848 -1.157 -6.867 1.00 0.00 N ATOM 380 CA LYS A 24 -7.113 -2.604 -6.902 1.00 0.00 C ATOM 381 C LYS A 24 -8.331 -2.904 -6.056 1.00 0.00 C ATOM 382 O LYS A 24 -9.245 -3.585 -6.479 1.00 0.00 O ATOM 383 CB LYS A 24 -5.899 -3.338 -6.308 1.00 0.00 C ATOM 384 CG LYS A 24 -4.643 -3.055 -7.156 1.00 0.00 C ATOM 385 CD LYS A 24 -4.878 -3.490 -8.623 1.00 0.00 C ATOM 386 CE LYS A 24 -3.532 -3.796 -9.296 1.00 0.00 C ATOM 387 NZ LYS A 24 -2.975 -5.081 -8.787 1.00 0.00 N ATOM 0 H LYS A 24 -5.908 -0.886 -6.579 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.287 -2.930 -7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.735 -3.013 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.092 -4.410 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.402 -1.993 -7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.788 -3.591 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.519 -4.371 -8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.396 -2.701 -9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.663 -3.852 -10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.829 -2.986 -9.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.296 -5.463 -9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.492 -4.915 -7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.748 -5.763 -8.648 1.00 0.00 H new ATOM 401 N ILE A 25 -8.320 -2.378 -4.861 1.00 0.00 N ATOM 402 CA ILE A 25 -9.451 -2.592 -3.932 1.00 0.00 C ATOM 403 C ILE A 25 -10.386 -1.364 -3.980 1.00 0.00 C ATOM 404 O ILE A 25 -11.566 -1.493 -4.236 1.00 0.00 O ATOM 405 CB ILE A 25 -8.877 -2.792 -2.471 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.372 -2.465 -2.432 1.00 0.00 C ATOM 407 CG2 ILE A 25 -9.058 -4.278 -2.061 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.866 -2.471 -0.979 1.00 0.00 C ATOM 0 H ILE A 25 -7.563 -1.803 -4.490 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.019 -3.477 -4.219 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.411 -2.128 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.818 -3.196 -3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.192 -1.489 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.666 -4.428 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.117 -4.534 -2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.518 -4.917 -2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.801 -2.239 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.409 -1.723 -0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.029 -3.456 -0.541 1.00 0.00 H new ATOM 420 N LYS A 26 -9.826 -0.197 -3.751 1.00 0.00 N ATOM 421 CA LYS A 26 -10.653 1.036 -3.779 1.00 0.00 C ATOM 422 C LYS A 26 -11.433 1.097 -5.075 1.00 0.00 C ATOM 423 O LYS A 26 -12.572 1.510 -5.096 1.00 0.00 O ATOM 424 CB LYS A 26 -9.720 2.274 -3.687 1.00 0.00 C ATOM 425 CG LYS A 26 -10.566 3.568 -3.549 1.00 0.00 C ATOM 426 CD LYS A 26 -11.026 3.749 -2.093 1.00 0.00 C ATOM 427 CE LYS A 26 -11.618 5.156 -1.935 1.00 0.00 C ATOM 428 NZ LYS A 26 -11.990 5.412 -0.514 1.00 0.00 N ATOM 0 H LYS A 26 -8.837 -0.054 -3.548 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.347 1.028 -2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.052 2.173 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.092 2.333 -4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.978 4.431 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.433 3.517 -4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.770 2.995 -1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.186 3.614 -1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.894 5.900 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.497 5.260 -2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.019 5.543 -0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.703 4.602 0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.508 6.270 -0.178 1.00 0.00 H new ATOM 442 N GLY A 27 -10.807 0.694 -6.139 1.00 0.00 N ATOM 443 CA GLY A 27 -11.516 0.726 -7.439 1.00 0.00 C ATOM 444 C GLY A 27 -12.789 -0.086 -7.312 1.00 0.00 C ATOM 445 O GLY A 27 -13.871 0.374 -7.617 1.00 0.00 O ATOM 0 H GLY A 27 -9.848 0.348 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.748 1.754 -7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.883 0.317 -8.226 1.00 0.00 H new ATOM 449 N GLU A 28 -12.619 -1.293 -6.866 1.00 0.00 N ATOM 450 CA GLU A 28 -13.764 -2.174 -6.696 1.00 0.00 C ATOM 451 C GLU A 28 -14.568 -1.729 -5.485 1.00 0.00 C ATOM 452 O GLU A 28 -15.644 -2.229 -5.223 1.00 0.00 O ATOM 453 CB GLU A 28 -13.232 -3.588 -6.451 1.00 0.00 C ATOM 454 CG GLU A 28 -12.719 -4.177 -7.763 1.00 0.00 C ATOM 455 CD GLU A 28 -12.054 -5.524 -7.473 1.00 0.00 C ATOM 456 OE1 GLU A 28 -11.162 -5.519 -6.639 1.00 0.00 O ATOM 457 OE2 GLU A 28 -12.477 -6.483 -8.097 1.00 0.00 O ATOM 0 H GLU A 28 -11.718 -1.698 -6.613 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.401 -2.147 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.430 -3.563 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.021 -4.219 -6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.542 -4.306 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.006 -3.497 -8.229 1.00 0.00 H new ATOM 464 N HIS A 29 -14.015 -0.781 -4.760 1.00 0.00 N ATOM 465 CA HIS A 29 -14.702 -0.257 -3.547 1.00 0.00 C ATOM 466 C HIS A 29 -14.632 1.285 -3.514 1.00 0.00 C ATOM 467 O HIS A 29 -13.936 1.855 -2.695 1.00 0.00 O ATOM 468 CB HIS A 29 -13.951 -0.788 -2.318 1.00 0.00 C ATOM 469 CG HIS A 29 -14.293 -2.255 -2.080 1.00 0.00 C ATOM 470 ND1 HIS A 29 -15.078 -2.655 -1.204 1.00 0.00 N ATOM 471 CD2 HIS A 29 -13.808 -3.396 -2.690 1.00 0.00 C ATOM 472 CE1 HIS A 29 -15.151 -3.914 -1.180 1.00 0.00 C ATOM 473 NE2 HIS A 29 -14.374 -4.488 -2.100 1.00 0.00 N ATOM 0 H HIS A 29 -13.113 -0.350 -4.963 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.745 -0.572 -3.555 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.877 -0.677 -2.464 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.215 -0.199 -1.440 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -13.096 -3.419 -3.502 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.773 -4.466 -0.491 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -14.239 -5.478 -2.307 1.00 0.00 H new ATOM 481 N PRO A 30 -15.356 1.934 -4.417 1.00 0.00 N ATOM 482 CA PRO A 30 -15.359 3.391 -4.473 1.00 0.00 C ATOM 483 C PRO A 30 -15.972 4.001 -3.197 1.00 0.00 C ATOM 484 O PRO A 30 -17.114 4.417 -3.182 1.00 0.00 O ATOM 485 CB PRO A 30 -16.217 3.742 -5.738 1.00 0.00 C ATOM 486 CG PRO A 30 -16.734 2.387 -6.335 1.00 0.00 C ATOM 487 CD PRO A 30 -16.191 1.254 -5.429 1.00 0.00 C ATOM 0 HA PRO A 30 -14.350 3.798 -4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.053 4.388 -5.469 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.619 4.283 -6.471 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.823 2.369 -6.363 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.387 2.260 -7.360 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.005 0.700 -4.961 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.606 0.536 -6.004 1.00 0.00 H new ATOM 495 N GLY A 31 -15.194 4.030 -2.136 1.00 0.00 N ATOM 496 CA GLY A 31 -15.719 4.611 -0.858 1.00 0.00 C ATOM 497 C GLY A 31 -15.121 3.909 0.362 1.00 0.00 C ATOM 498 O GLY A 31 -15.774 3.781 1.379 1.00 0.00 O ATOM 0 H GLY A 31 -14.236 3.683 -2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -15.486 5.675 -0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.805 4.521 -0.835 1.00 0.00 H new ATOM 502 N LEU A 32 -13.900 3.459 0.251 1.00 0.00 N ATOM 503 CA LEU A 32 -13.290 2.773 1.421 1.00 0.00 C ATOM 504 C LEU A 32 -13.016 3.764 2.531 1.00 0.00 C ATOM 505 O LEU A 32 -12.898 4.950 2.303 1.00 0.00 O ATOM 506 CB LEU A 32 -11.898 2.174 1.034 1.00 0.00 C ATOM 507 CG LEU A 32 -12.004 0.859 0.260 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.572 0.309 0.095 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.837 -0.169 1.052 1.00 0.00 C ATOM 0 H LEU A 32 -13.312 3.535 -0.579 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.988 1.998 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.352 2.900 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.316 2.009 1.940 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.486 1.031 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.605 -0.632 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.967 1.029 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.132 0.140 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.902 -1.098 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.359 -0.362 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.840 0.225 1.218 1.00 0.00 H new ATOM 521 N SER A 33 -12.914 3.247 3.719 1.00 0.00 N ATOM 522 CA SER A 33 -12.642 4.112 4.870 1.00 0.00 C ATOM 523 C SER A 33 -11.142 4.180 5.044 1.00 0.00 C ATOM 524 O SER A 33 -10.457 3.203 4.812 1.00 0.00 O ATOM 525 CB SER A 33 -13.263 3.485 6.124 1.00 0.00 C ATOM 526 OG SER A 33 -14.641 3.815 6.030 1.00 0.00 O ATOM 0 H SER A 33 -13.010 2.254 3.933 1.00 0.00 H new ATOM 0 HA SER A 33 -13.061 5.107 4.716 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.112 2.406 6.146 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.818 3.888 7.034 1.00 0.00 H new ATOM 0 HG SER A 33 -15.119 3.446 6.802 1.00 0.00 H new ATOM 532 N ILE A 34 -10.638 5.310 5.430 1.00 0.00 N ATOM 533 CA ILE A 34 -9.169 5.409 5.609 1.00 0.00 C ATOM 534 C ILE A 34 -8.639 4.213 6.376 1.00 0.00 C ATOM 535 O ILE A 34 -7.507 3.808 6.199 1.00 0.00 O ATOM 536 CB ILE A 34 -8.856 6.689 6.385 1.00 0.00 C ATOM 537 CG1 ILE A 34 -9.574 7.876 5.734 1.00 0.00 C ATOM 538 CG2 ILE A 34 -7.330 6.938 6.336 1.00 0.00 C ATOM 539 CD1 ILE A 34 -9.099 9.188 6.378 1.00 0.00 C ATOM 0 H ILE A 34 -11.168 6.159 5.627 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.690 5.429 4.630 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.191 6.584 7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.372 7.892 4.663 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.652 7.771 5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.092 7.849 6.886 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.809 6.094 6.788 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.012 7.047 5.299 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.612 10.029 5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.323 9.172 7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.024 9.295 6.235 1.00 0.00 H new ATOM 551 N GLY A 35 -9.460 3.666 7.212 1.00 0.00 N ATOM 552 CA GLY A 35 -9.014 2.494 7.992 1.00 0.00 C ATOM 553 C GLY A 35 -8.948 1.279 7.075 1.00 0.00 C ATOM 554 O GLY A 35 -7.962 0.583 7.040 1.00 0.00 O ATOM 0 H GLY A 35 -10.415 3.977 7.389 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.036 2.686 8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.703 2.306 8.815 1.00 0.00 H new ATOM 558 N ASP A 36 -10.000 1.067 6.332 1.00 0.00 N ATOM 559 CA ASP A 36 -10.022 -0.091 5.415 1.00 0.00 C ATOM 560 C ASP A 36 -8.894 -0.026 4.423 1.00 0.00 C ATOM 561 O ASP A 36 -8.209 -1.001 4.183 1.00 0.00 O ATOM 562 CB ASP A 36 -11.335 -0.060 4.627 1.00 0.00 C ATOM 563 CG ASP A 36 -11.587 -1.439 4.016 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.597 -2.120 3.795 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.751 -1.735 3.803 1.00 0.00 O ATOM 0 H ASP A 36 -10.839 1.647 6.325 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.923 -1.000 6.009 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.160 0.217 5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.285 0.695 3.842 1.00 0.00 H new ATOM 570 N VAL A 37 -8.726 1.118 3.861 1.00 0.00 N ATOM 571 CA VAL A 37 -7.653 1.282 2.878 1.00 0.00 C ATOM 572 C VAL A 37 -6.336 0.874 3.472 1.00 0.00 C ATOM 573 O VAL A 37 -5.710 -0.046 3.025 1.00 0.00 O ATOM 574 CB VAL A 37 -7.578 2.780 2.491 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.412 2.983 1.530 1.00 0.00 C ATOM 576 CG2 VAL A 37 -8.885 3.206 1.823 1.00 0.00 C ATOM 0 H VAL A 37 -9.288 1.950 4.041 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.859 0.660 2.007 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.426 3.386 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.350 4.035 1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.484 2.681 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.568 2.379 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.828 4.260 1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.046 2.609 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.714 3.053 2.514 1.00 0.00 H new ATOM 586 N ALA A 38 -5.966 1.544 4.491 1.00 0.00 N ATOM 587 CA ALA A 38 -4.694 1.229 5.140 1.00 0.00 C ATOM 588 C ALA A 38 -4.670 -0.175 5.778 1.00 0.00 C ATOM 589 O ALA A 38 -3.616 -0.764 5.903 1.00 0.00 O ATOM 590 CB ALA A 38 -4.457 2.296 6.192 1.00 0.00 C ATOM 0 H ALA A 38 -6.494 2.308 4.912 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.904 1.219 4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.515 2.100 6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.414 3.275 5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.272 2.281 6.915 1.00 0.00 H new ATOM 596 N LYS A 39 -5.813 -0.695 6.175 1.00 0.00 N ATOM 597 CA LYS A 39 -5.792 -2.053 6.790 1.00 0.00 C ATOM 598 C LYS A 39 -5.402 -3.091 5.742 1.00 0.00 C ATOM 599 O LYS A 39 -4.379 -3.738 5.849 1.00 0.00 O ATOM 600 CB LYS A 39 -7.218 -2.392 7.362 1.00 0.00 C ATOM 601 CG LYS A 39 -7.218 -2.241 8.901 1.00 0.00 C ATOM 602 CD LYS A 39 -7.077 -0.751 9.272 1.00 0.00 C ATOM 603 CE LYS A 39 -6.530 -0.625 10.699 1.00 0.00 C ATOM 604 NZ LYS A 39 -7.352 -1.430 11.647 1.00 0.00 N ATOM 0 H LYS A 39 -6.728 -0.250 6.101 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.061 -2.070 7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.963 -1.728 6.923 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.497 -3.409 7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.141 -2.644 9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.397 -2.814 9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.408 -0.253 8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.044 -0.254 9.197 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.494 -0.963 10.729 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.532 0.421 11.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.150 -1.131 12.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.361 -1.284 11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.119 -2.438 11.539 1.00 0.00 H new ATOM 618 N LYS A 40 -6.227 -3.221 4.748 1.00 0.00 N ATOM 619 CA LYS A 40 -5.943 -4.202 3.673 1.00 0.00 C ATOM 620 C LYS A 40 -4.505 -4.062 3.208 1.00 0.00 C ATOM 621 O LYS A 40 -3.795 -5.032 3.048 1.00 0.00 O ATOM 622 CB LYS A 40 -6.889 -3.896 2.490 1.00 0.00 C ATOM 623 CG LYS A 40 -8.262 -4.550 2.745 1.00 0.00 C ATOM 624 CD LYS A 40 -8.159 -6.101 2.602 1.00 0.00 C ATOM 625 CE LYS A 40 -9.483 -6.660 2.061 1.00 0.00 C ATOM 626 NZ LYS A 40 -10.630 -6.183 2.884 1.00 0.00 N ATOM 0 H LYS A 40 -7.089 -2.688 4.633 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.096 -5.216 4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.004 -2.819 2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.461 -4.274 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.615 -4.293 3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.995 -4.161 2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.342 -6.360 1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.931 -6.551 3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.618 -6.350 1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.453 -7.750 2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.467 -6.768 2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.388 -6.256 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.837 -5.191 2.649 1.00 0.00 H new ATOM 640 N LEU A 41 -4.109 -2.858 2.995 1.00 0.00 N ATOM 641 CA LEU A 41 -2.735 -2.630 2.547 1.00 0.00 C ATOM 642 C LEU A 41 -1.777 -2.990 3.638 1.00 0.00 C ATOM 643 O LEU A 41 -0.729 -3.554 3.397 1.00 0.00 O ATOM 644 CB LEU A 41 -2.573 -1.151 2.237 1.00 0.00 C ATOM 645 CG LEU A 41 -3.550 -0.736 1.140 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.529 0.784 1.057 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.111 -1.348 -0.209 1.00 0.00 C ATOM 0 H LEU A 41 -4.680 -2.021 3.112 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.532 -3.240 1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.751 -0.561 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.550 -0.948 1.920 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.556 -1.090 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.218 1.116 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.833 1.205 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.521 1.121 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.811 -1.049 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.112 -0.992 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.099 -2.435 -0.129 1.00 0.00 H new ATOM 659 N GLY A 42 -2.145 -2.652 4.824 1.00 0.00 N ATOM 660 CA GLY A 42 -1.274 -2.963 5.954 1.00 0.00 C ATOM 661 C GLY A 42 -1.114 -4.480 6.051 1.00 0.00 C ATOM 662 O GLY A 42 -0.126 -4.979 6.548 1.00 0.00 O ATOM 0 H GLY A 42 -3.015 -2.172 5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.301 -2.489 5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.699 -2.569 6.877 1.00 0.00 H new ATOM 666 N GLU A 43 -2.110 -5.182 5.562 1.00 0.00 N ATOM 667 CA GLU A 43 -2.070 -6.656 5.598 1.00 0.00 C ATOM 668 C GLU A 43 -1.185 -7.193 4.472 1.00 0.00 C ATOM 669 O GLU A 43 -0.265 -7.951 4.707 1.00 0.00 O ATOM 670 CB GLU A 43 -3.531 -7.165 5.399 1.00 0.00 C ATOM 671 CG GLU A 43 -4.203 -7.364 6.770 1.00 0.00 C ATOM 672 CD GLU A 43 -3.749 -8.698 7.374 1.00 0.00 C ATOM 673 OE1 GLU A 43 -3.794 -9.670 6.636 1.00 0.00 O ATOM 674 OE2 GLU A 43 -3.385 -8.670 8.538 1.00 0.00 O ATOM 0 H GLU A 43 -2.948 -4.783 5.140 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.659 -7.000 6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.098 -6.448 4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.527 -8.104 4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.942 -6.543 7.437 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.287 -7.353 6.660 1.00 0.00 H new ATOM 681 N MET A 44 -1.483 -6.787 3.270 1.00 0.00 N ATOM 682 CA MET A 44 -0.677 -7.259 2.120 1.00 0.00 C ATOM 683 C MET A 44 0.765 -6.802 2.247 1.00 0.00 C ATOM 684 O MET A 44 1.684 -7.578 2.082 1.00 0.00 O ATOM 685 CB MET A 44 -1.286 -6.677 0.830 1.00 0.00 C ATOM 686 CG MET A 44 -2.548 -7.469 0.481 1.00 0.00 C ATOM 687 SD MET A 44 -3.540 -6.886 -0.914 1.00 0.00 S ATOM 688 CE MET A 44 -3.724 -5.179 -0.353 1.00 0.00 C ATOM 0 H MET A 44 -2.247 -6.152 3.039 1.00 0.00 H new ATOM 0 HA MET A 44 -0.689 -8.349 2.095 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.528 -5.623 0.969 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.566 -6.734 0.013 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.254 -8.499 0.277 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.187 -7.489 1.363 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.507 -4.689 -0.931 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.993 -5.170 0.703 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.783 -4.647 -0.492 1.00 0.00 H new ATOM 698 N TRP A 45 0.941 -5.550 2.535 1.00 0.00 N ATOM 699 CA TRP A 45 2.320 -5.026 2.678 1.00 0.00 C ATOM 700 C TRP A 45 3.112 -5.905 3.609 1.00 0.00 C ATOM 701 O TRP A 45 4.125 -6.464 3.242 1.00 0.00 O ATOM 702 CB TRP A 45 2.220 -3.630 3.286 1.00 0.00 C ATOM 703 CG TRP A 45 3.609 -3.077 3.617 1.00 0.00 C ATOM 704 CD1 TRP A 45 4.043 -2.880 4.847 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.467 -2.617 2.738 1.00 0.00 C ATOM 706 NE1 TRP A 45 5.211 -2.264 4.685 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.559 -2.050 3.373 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.391 -2.586 1.366 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.552 -1.460 2.642 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.395 -1.992 0.635 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.467 -1.428 1.276 1.00 0.00 C ATOM 0 H TRP A 45 0.195 -4.869 2.677 1.00 0.00 H new ATOM 0 HA TRP A 45 2.816 -5.002 1.707 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.714 -2.961 2.590 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.613 -3.666 4.191 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.561 -3.156 5.773 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.798 -1.975 5.468 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.544 -3.027 0.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.402 -1.020 3.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.338 -1.970 -0.443 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.249 -0.956 0.700 1.00 0.00 H new ATOM 722 N ASN A 46 2.636 -6.009 4.802 1.00 0.00 N ATOM 723 CA ASN A 46 3.338 -6.851 5.794 1.00 0.00 C ATOM 724 C ASN A 46 3.669 -8.210 5.186 1.00 0.00 C ATOM 725 O ASN A 46 4.743 -8.746 5.383 1.00 0.00 O ATOM 726 CB ASN A 46 2.394 -7.059 6.999 1.00 0.00 C ATOM 727 CG ASN A 46 3.222 -7.359 8.254 1.00 0.00 C ATOM 728 OD1 ASN A 46 4.365 -7.761 8.173 1.00 0.00 O ATOM 729 ND2 ASN A 46 2.683 -7.179 9.428 1.00 0.00 N ATOM 0 H ASN A 46 1.790 -5.548 5.138 1.00 0.00 H new ATOM 0 HA ASN A 46 4.264 -6.365 6.102 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.786 -6.168 7.156 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.707 -7.882 6.799 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.221 -7.376 10.272 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.723 -6.842 9.502 1.00 0.00 H new ATOM 736 N ASN A 47 2.730 -8.730 4.454 1.00 0.00 N ATOM 737 CA ASN A 47 2.943 -10.047 3.816 1.00 0.00 C ATOM 738 C ASN A 47 3.939 -9.955 2.652 1.00 0.00 C ATOM 739 O ASN A 47 4.614 -10.916 2.338 1.00 0.00 O ATOM 740 CB ASN A 47 1.593 -10.542 3.269 1.00 0.00 C ATOM 741 CG ASN A 47 0.586 -10.661 4.415 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.924 -11.038 5.519 1.00 0.00 O ATOM 743 ND2 ASN A 47 -0.662 -10.348 4.194 1.00 0.00 N ATOM 0 H ASN A 47 1.824 -8.298 4.271 1.00 0.00 H new ATOM 0 HA ASN A 47 3.349 -10.732 4.560 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.220 -9.850 2.514 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.719 -11.508 2.781 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.347 -10.421 4.946 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.952 -10.031 3.269 1.00 0.00 H new ATOM 750 N THR A 48 4.014 -8.802 2.036 1.00 0.00 N ATOM 751 CA THR A 48 4.961 -8.639 0.892 1.00 0.00 C ATOM 752 C THR A 48 6.408 -8.847 1.337 1.00 0.00 C ATOM 753 O THR A 48 6.896 -8.157 2.202 1.00 0.00 O ATOM 754 CB THR A 48 4.804 -7.205 0.342 1.00 0.00 C ATOM 755 OG1 THR A 48 3.449 -7.101 -0.041 1.00 0.00 O ATOM 756 CG2 THR A 48 5.599 -7.001 -0.976 1.00 0.00 C ATOM 0 H THR A 48 3.466 -7.975 2.273 1.00 0.00 H new ATOM 0 HA THR A 48 4.731 -9.383 0.129 1.00 0.00 H new ATOM 0 HB THR A 48 5.144 -6.493 1.094 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.881 -7.118 0.757 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.462 -5.979 -1.329 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.658 -7.183 -0.794 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.236 -7.698 -1.731 1.00 0.00 H new ATOM 764 N ALA A 49 7.067 -9.802 0.726 1.00 0.00 N ATOM 765 CA ALA A 49 8.483 -10.077 1.092 1.00 0.00 C ATOM 766 C ALA A 49 9.313 -8.797 1.095 1.00 0.00 C ATOM 767 O ALA A 49 9.014 -7.863 0.383 1.00 0.00 O ATOM 768 CB ALA A 49 9.073 -11.036 0.044 1.00 0.00 C ATOM 0 H ALA A 49 6.683 -10.398 -0.007 1.00 0.00 H new ATOM 0 HA ALA A 49 8.509 -10.510 2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.112 -11.252 0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.501 -11.964 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.024 -10.573 -0.941 1.00 0.00 H new ATOM 774 N ALA A 50 10.353 -8.785 1.892 1.00 0.00 N ATOM 775 CA ALA A 50 11.208 -7.582 1.951 1.00 0.00 C ATOM 776 C ALA A 50 11.868 -7.321 0.603 1.00 0.00 C ATOM 777 O ALA A 50 11.945 -6.195 0.150 1.00 0.00 O ATOM 778 CB ALA A 50 12.308 -7.820 2.995 1.00 0.00 C ATOM 0 H ALA A 50 10.637 -9.556 2.497 1.00 0.00 H new ATOM 0 HA ALA A 50 10.593 -6.722 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.951 -6.941 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.853 -8.002 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.903 -8.686 2.706 1.00 0.00 H new ATOM 784 N ASP A 51 12.342 -8.371 -0.011 1.00 0.00 N ATOM 785 CA ASP A 51 12.998 -8.217 -1.325 1.00 0.00 C ATOM 786 C ASP A 51 12.128 -7.402 -2.271 1.00 0.00 C ATOM 787 O ASP A 51 12.610 -6.826 -3.225 1.00 0.00 O ATOM 788 CB ASP A 51 13.196 -9.618 -1.919 1.00 0.00 C ATOM 789 CG ASP A 51 14.177 -10.407 -1.047 1.00 0.00 C ATOM 790 OD1 ASP A 51 14.349 -9.992 0.085 1.00 0.00 O ATOM 791 OD2 ASP A 51 14.697 -11.382 -1.566 1.00 0.00 O ATOM 0 H ASP A 51 12.300 -9.325 0.346 1.00 0.00 H new ATOM 0 HA ASP A 51 13.949 -7.700 -1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.241 -10.140 -1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.577 -9.543 -2.937 1.00 0.00 H new ATOM 796 N ASP A 52 10.850 -7.374 -1.984 1.00 0.00 N ATOM 797 CA ASP A 52 9.904 -6.603 -2.851 1.00 0.00 C ATOM 798 C ASP A 52 9.622 -5.219 -2.265 1.00 0.00 C ATOM 799 O ASP A 52 9.136 -4.339 -2.949 1.00 0.00 O ATOM 800 CB ASP A 52 8.590 -7.389 -2.923 1.00 0.00 C ATOM 801 CG ASP A 52 7.630 -6.686 -3.883 1.00 0.00 C ATOM 802 OD1 ASP A 52 7.847 -6.840 -5.072 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.735 -6.033 -3.373 1.00 0.00 O ATOM 0 H ASP A 52 10.421 -7.850 -1.190 1.00 0.00 H new ATOM 0 HA ASP A 52 10.346 -6.471 -3.839 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.781 -8.407 -3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.142 -7.462 -1.932 1.00 0.00 H new ATOM 808 N LYS A 53 9.920 -5.058 -1.005 1.00 0.00 N ATOM 809 CA LYS A 53 9.681 -3.743 -0.354 1.00 0.00 C ATOM 810 C LYS A 53 10.807 -2.777 -0.687 1.00 0.00 C ATOM 811 O LYS A 53 10.698 -1.586 -0.478 1.00 0.00 O ATOM 812 CB LYS A 53 9.678 -3.952 1.167 1.00 0.00 C ATOM 813 CG LYS A 53 8.428 -4.734 1.587 1.00 0.00 C ATOM 814 CD LYS A 53 8.243 -4.599 3.112 1.00 0.00 C ATOM 815 CE LYS A 53 7.235 -5.654 3.621 1.00 0.00 C ATOM 816 NZ LYS A 53 7.952 -6.884 4.070 1.00 0.00 N ATOM 0 H LYS A 53 10.317 -5.778 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 53 8.733 -3.337 -0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.574 -4.493 1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.701 -2.988 1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.551 -4.351 1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.530 -5.784 1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.201 -4.728 3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.887 -3.598 3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.654 -5.243 4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.530 -5.905 2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.720 -7.673 3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.978 -6.714 4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.658 -7.123 5.038 1.00 0.00 H new ATOM 830 N GLN A 54 11.869 -3.319 -1.196 1.00 0.00 N ATOM 831 CA GLN A 54 13.026 -2.487 -1.557 1.00 0.00 C ATOM 832 C GLN A 54 12.644 -1.298 -2.495 1.00 0.00 C ATOM 833 O GLN A 54 12.827 -0.163 -2.140 1.00 0.00 O ATOM 834 CB GLN A 54 14.065 -3.413 -2.249 1.00 0.00 C ATOM 835 CG GLN A 54 15.184 -3.794 -1.262 1.00 0.00 C ATOM 836 CD GLN A 54 16.162 -4.745 -1.956 1.00 0.00 C ATOM 837 OE1 GLN A 54 16.833 -4.381 -2.902 1.00 0.00 O ATOM 838 NE2 GLN A 54 16.275 -5.971 -1.518 1.00 0.00 N ATOM 0 H GLN A 54 11.981 -4.316 -1.378 1.00 0.00 H new ATOM 0 HA GLN A 54 13.436 -2.035 -0.654 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.572 -4.313 -2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.492 -2.908 -3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.706 -2.900 -0.922 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.760 -4.270 -0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.715 -6.283 -0.725 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.923 -6.616 -1.969 1.00 0.00 H new ATOM 847 N PRO A 55 12.112 -1.572 -3.675 1.00 0.00 N ATOM 848 CA PRO A 55 11.745 -0.492 -4.581 1.00 0.00 C ATOM 849 C PRO A 55 10.937 0.600 -3.895 1.00 0.00 C ATOM 850 O PRO A 55 11.197 1.763 -4.072 1.00 0.00 O ATOM 851 CB PRO A 55 10.881 -1.176 -5.688 1.00 0.00 C ATOM 852 CG PRO A 55 10.920 -2.718 -5.423 1.00 0.00 C ATOM 853 CD PRO A 55 11.803 -2.937 -4.170 1.00 0.00 C ATOM 0 HA PRO A 55 12.635 0.002 -4.970 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.856 -0.807 -5.658 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.274 -0.946 -6.679 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.915 -3.107 -5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.331 -3.247 -6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.278 -3.521 -3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.713 -3.482 -4.419 1.00 0.00 H new ATOM 861 N TYR A 56 9.998 0.204 -3.125 1.00 0.00 N ATOM 862 CA TYR A 56 9.162 1.208 -2.426 1.00 0.00 C ATOM 863 C TYR A 56 9.942 1.999 -1.389 1.00 0.00 C ATOM 864 O TYR A 56 10.158 3.185 -1.537 1.00 0.00 O ATOM 865 CB TYR A 56 8.051 0.468 -1.706 1.00 0.00 C ATOM 866 CG TYR A 56 7.083 -0.112 -2.720 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.234 0.717 -3.396 1.00 0.00 C ATOM 868 CD2 TYR A 56 7.003 -1.469 -2.918 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.290 0.205 -4.261 1.00 0.00 C ATOM 870 CE2 TYR A 56 6.068 -1.999 -3.785 1.00 0.00 C ATOM 871 CZ TYR A 56 5.200 -1.166 -4.468 1.00 0.00 C ATOM 872 OH TYR A 56 4.277 -1.686 -5.353 1.00 0.00 O ATOM 0 H TYR A 56 9.762 -0.771 -2.940 1.00 0.00 H new ATOM 0 HA TYR A 56 8.787 1.909 -3.171 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.470 -0.329 -1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.526 1.146 -1.033 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.303 1.785 -3.252 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.678 -2.127 -2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.618 0.872 -4.780 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.014 -3.068 -3.930 1.00 0.00 H new ATOM 0 HH TYR A 56 4.356 -2.663 -5.372 1.00 0.00 H new ATOM 882 N GLU A 57 10.348 1.330 -0.355 1.00 0.00 N ATOM 883 CA GLU A 57 11.113 2.035 0.705 1.00 0.00 C ATOM 884 C GLU A 57 12.271 2.808 0.108 1.00 0.00 C ATOM 885 O GLU A 57 12.539 3.940 0.472 1.00 0.00 O ATOM 886 CB GLU A 57 11.647 0.984 1.703 1.00 0.00 C ATOM 887 CG GLU A 57 12.797 0.197 1.084 1.00 0.00 C ATOM 888 CD GLU A 57 13.089 -1.041 1.937 1.00 0.00 C ATOM 889 OE1 GLU A 57 12.119 -1.627 2.391 1.00 0.00 O ATOM 890 OE2 GLU A 57 14.263 -1.330 2.085 1.00 0.00 O ATOM 0 H GLU A 57 10.187 0.335 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 57 10.459 2.744 1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.985 1.478 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.845 0.304 1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.541 -0.101 0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.686 0.824 1.018 1.00 0.00 H new ATOM 897 N LYS A 58 12.927 2.177 -0.788 1.00 0.00 N ATOM 898 CA LYS A 58 14.080 2.816 -1.452 1.00 0.00 C ATOM 899 C LYS A 58 13.645 4.036 -2.264 1.00 0.00 C ATOM 900 O LYS A 58 14.367 5.011 -2.349 1.00 0.00 O ATOM 901 CB LYS A 58 14.735 1.762 -2.384 1.00 0.00 C ATOM 902 CG LYS A 58 16.133 2.266 -2.886 1.00 0.00 C ATOM 903 CD LYS A 58 17.160 1.118 -2.793 1.00 0.00 C ATOM 904 CE LYS A 58 18.535 1.632 -3.222 1.00 0.00 C ATOM 905 NZ LYS A 58 18.536 1.972 -4.673 1.00 0.00 N ATOM 0 H LYS A 58 12.718 1.229 -1.101 1.00 0.00 H new ATOM 0 HA LYS A 58 14.790 3.162 -0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.852 0.819 -1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.084 1.567 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.056 2.617 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.463 3.113 -2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.204 0.736 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.854 0.289 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.800 2.512 -2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 58 19.292 0.875 -3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.516 2.090 -5.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.081 1.206 -5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.012 2.858 -4.822 1.00 0.00 H new ATOM 919 N LYS A 59 12.478 3.971 -2.853 1.00 0.00 N ATOM 920 CA LYS A 59 12.018 5.129 -3.647 1.00 0.00 C ATOM 921 C LYS A 59 11.935 6.355 -2.773 1.00 0.00 C ATOM 922 O LYS A 59 12.457 7.402 -3.095 1.00 0.00 O ATOM 923 CB LYS A 59 10.599 4.838 -4.184 1.00 0.00 C ATOM 924 CG LYS A 59 10.176 5.963 -5.182 1.00 0.00 C ATOM 925 CD LYS A 59 9.234 5.382 -6.274 1.00 0.00 C ATOM 926 CE LYS A 59 10.063 4.891 -7.480 1.00 0.00 C ATOM 927 NZ LYS A 59 11.378 4.346 -7.036 1.00 0.00 N ATOM 0 H LYS A 59 11.839 3.177 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 59 12.720 5.298 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.580 3.869 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.890 4.785 -3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.671 6.766 -4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.060 6.398 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.652 4.557 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.524 6.144 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.509 4.122 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.223 5.715 -8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.910 4.007 -7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.920 5.094 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.222 3.557 -6.377 1.00 0.00 H new ATOM 941 N ALA A 60 11.265 6.192 -1.682 1.00 0.00 N ATOM 942 CA ALA A 60 11.104 7.310 -0.739 1.00 0.00 C ATOM 943 C ALA A 60 12.434 7.994 -0.425 1.00 0.00 C ATOM 944 O ALA A 60 12.511 9.206 -0.402 1.00 0.00 O ATOM 945 CB ALA A 60 10.523 6.750 0.561 1.00 0.00 C ATOM 0 H ALA A 60 10.817 5.320 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 60 10.447 8.052 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.393 7.559 1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.558 6.286 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.204 6.005 0.973 1.00 0.00 H new