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= -0.408 USER MOD Single : A 18 CYS SG : rot 180:sc= -1.49 USER MOD Single : A 19 SER OG : rot 180:sc= 0 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+ 147:sc= -0.0356 (180deg=-1.18) USER MOD Single : A 29 HIS : no HD1:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.103 USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0494) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -160:sc= -0.527 (180deg=-1.59!) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.215 F(o=-2.4,f=-0.21) USER MOD Single : A 47 ASN : amide:sc= -0.817 X(o=-0.82,f=-0.71) USER MOD Single : A 48 THR OG1 : rot -164:sc= -0.949 USER MOD Single : A 53 LYS NZ :NH3+ -148:sc= 0.578 (180deg=-1.11!) USER MOD Single : A 54 GLN : amide:sc= -0.0123 K(o=-0.012,f=-1.7!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 6.193 7.437 4.104 1.00 0.00 N ATOM 184 CA SER A 12 6.582 6.123 4.711 1.00 0.00 C ATOM 185 C SER A 12 6.819 5.084 3.615 1.00 0.00 C ATOM 186 O SER A 12 6.554 5.332 2.458 1.00 0.00 O ATOM 187 CB SER A 12 5.437 5.645 5.645 1.00 0.00 C ATOM 188 OG SER A 12 4.575 4.875 4.816 1.00 0.00 O ATOM 0 HA SER A 12 7.503 6.244 5.281 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.826 5.048 6.470 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.908 6.491 6.084 1.00 0.00 H new ATOM 0 HG SER A 12 3.824 4.538 5.348 1.00 0.00 H new ATOM 194 N ALA A 13 7.306 3.939 4.000 1.00 0.00 N ATOM 195 CA ALA A 13 7.563 2.888 2.993 1.00 0.00 C ATOM 196 C ALA A 13 6.288 2.391 2.372 1.00 0.00 C ATOM 197 O ALA A 13 6.120 2.420 1.168 1.00 0.00 O ATOM 198 CB ALA A 13 8.239 1.698 3.685 1.00 0.00 C ATOM 0 H ALA A 13 7.534 3.691 4.963 1.00 0.00 H new ATOM 0 HA ALA A 13 8.193 3.317 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.434 0.914 2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.180 2.022 4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.584 1.310 4.465 1.00 0.00 H new ATOM 204 N PHE A 14 5.408 1.939 3.202 1.00 0.00 N ATOM 205 CA PHE A 14 4.125 1.425 2.688 1.00 0.00 C ATOM 206 C PHE A 14 3.252 2.558 2.128 1.00 0.00 C ATOM 207 O PHE A 14 2.225 2.310 1.535 1.00 0.00 O ATOM 208 CB PHE A 14 3.414 0.646 3.853 1.00 0.00 C ATOM 209 CG PHE A 14 1.965 1.101 4.088 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.693 2.395 4.454 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.918 0.201 3.957 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.397 2.799 4.687 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.374 0.603 4.190 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.639 1.902 4.555 1.00 0.00 C ATOM 0 H PHE A 14 5.521 1.903 4.215 1.00 0.00 H new ATOM 0 HA PHE A 14 4.298 0.746 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.421 -0.420 3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.984 0.780 4.772 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.502 3.103 4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.120 -0.821 3.670 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.193 3.820 4.973 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.185 -0.103 4.086 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.656 2.217 4.737 1.00 0.00 H new ATOM 224 N PHE A 15 3.638 3.777 2.359 1.00 0.00 N ATOM 225 CA PHE A 15 2.806 4.875 1.819 1.00 0.00 C ATOM 226 C PHE A 15 2.999 4.904 0.333 1.00 0.00 C ATOM 227 O PHE A 15 2.066 5.026 -0.430 1.00 0.00 O ATOM 228 CB PHE A 15 3.262 6.212 2.390 1.00 0.00 C ATOM 229 CG PHE A 15 2.333 7.297 1.857 1.00 0.00 C ATOM 230 CD1 PHE A 15 1.060 7.444 2.374 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.740 8.122 0.831 1.00 0.00 C ATOM 232 CE1 PHE A 15 0.211 8.403 1.870 1.00 0.00 C ATOM 233 CE2 PHE A 15 1.888 9.083 0.329 1.00 0.00 C ATOM 234 CZ PHE A 15 0.625 9.222 0.848 1.00 0.00 C ATOM 0 H PHE A 15 4.468 4.054 2.882 1.00 0.00 H new ATOM 0 HA PHE A 15 1.762 4.712 2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.235 6.190 3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.293 6.418 2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.729 6.803 3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.732 8.015 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.783 8.512 2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.215 9.727 -0.474 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.042 9.974 0.453 1.00 0.00 H new ATOM 244 N LEU A 16 4.229 4.792 -0.049 1.00 0.00 N ATOM 245 CA LEU A 16 4.550 4.800 -1.475 1.00 0.00 C ATOM 246 C LEU A 16 3.832 3.645 -2.136 1.00 0.00 C ATOM 247 O LEU A 16 3.648 3.614 -3.338 1.00 0.00 O ATOM 248 CB LEU A 16 6.066 4.584 -1.608 1.00 0.00 C ATOM 249 CG LEU A 16 6.815 5.673 -0.820 1.00 0.00 C ATOM 250 CD1 LEU A 16 8.283 5.261 -0.676 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.733 7.006 -1.568 1.00 0.00 C ATOM 0 H LEU A 16 5.028 4.695 0.577 1.00 0.00 H new ATOM 0 HA LEU A 16 4.249 5.738 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.337 3.598 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.357 4.616 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 16 6.361 5.788 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.823 6.027 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.344 4.313 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.728 5.150 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.265 7.773 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.187 6.899 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.689 7.297 -1.679 1.00 0.00 H new ATOM 263 N PHE A 17 3.435 2.707 -1.311 1.00 0.00 N ATOM 264 CA PHE A 17 2.720 1.514 -1.810 1.00 0.00 C ATOM 265 C PHE A 17 1.217 1.761 -1.778 1.00 0.00 C ATOM 266 O PHE A 17 0.487 1.287 -2.619 1.00 0.00 O ATOM 267 CB PHE A 17 3.092 0.386 -0.851 1.00 0.00 C ATOM 268 CG PHE A 17 2.201 -0.824 -1.017 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.945 -0.841 -0.437 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.669 -1.957 -1.649 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.174 -1.976 -0.482 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.893 -3.095 -1.695 1.00 0.00 C ATOM 273 CZ PHE A 17 0.646 -3.101 -1.106 1.00 0.00 C ATOM 0 H PHE A 17 3.583 2.727 -0.302 1.00 0.00 H new ATOM 0 HA PHE A 17 2.990 1.274 -2.838 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.129 0.097 -1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.024 0.747 0.175 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.569 0.044 0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.646 -1.952 -2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.805 -1.982 -0.026 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.261 -3.981 -2.192 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.040 -3.994 -1.137 1.00 0.00 H new ATOM 283 N CYS A 18 0.777 2.485 -0.789 1.00 0.00 N ATOM 284 CA CYS A 18 -0.662 2.769 -0.691 1.00 0.00 C ATOM 285 C CYS A 18 -1.196 3.304 -2.016 1.00 0.00 C ATOM 286 O CYS A 18 -2.081 2.731 -2.604 1.00 0.00 O ATOM 287 CB CYS A 18 -0.873 3.847 0.394 1.00 0.00 C ATOM 288 SG CYS A 18 -2.492 4.648 0.458 1.00 0.00 S ATOM 0 H CYS A 18 1.356 2.887 -0.052 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.191 1.849 -0.441 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.683 3.390 1.365 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.118 4.621 0.253 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.506 5.522 1.420 1.00 0.00 H new ATOM 294 N SER A 19 -0.621 4.383 -2.470 1.00 0.00 N ATOM 295 CA SER A 19 -1.073 4.980 -3.749 1.00 0.00 C ATOM 296 C SER A 19 -1.092 3.955 -4.888 1.00 0.00 C ATOM 297 O SER A 19 -1.815 4.112 -5.850 1.00 0.00 O ATOM 298 CB SER A 19 -0.099 6.125 -4.115 1.00 0.00 C ATOM 299 OG SER A 19 -0.895 7.025 -4.872 1.00 0.00 O ATOM 0 H SER A 19 0.143 4.875 -2.007 1.00 0.00 H new ATOM 0 HA SER A 19 -2.091 5.346 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.307 6.604 -3.224 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.749 5.758 -4.694 1.00 0.00 H new ATOM 0 HG SER A 19 -0.350 7.792 -5.147 1.00 0.00 H new ATOM 305 N GLU A 20 -0.297 2.925 -4.760 1.00 0.00 N ATOM 306 CA GLU A 20 -0.260 1.888 -5.828 1.00 0.00 C ATOM 307 C GLU A 20 -1.400 0.870 -5.679 1.00 0.00 C ATOM 308 O GLU A 20 -2.109 0.600 -6.625 1.00 0.00 O ATOM 309 CB GLU A 20 1.102 1.148 -5.738 1.00 0.00 C ATOM 310 CG GLU A 20 1.103 -0.078 -6.665 1.00 0.00 C ATOM 311 CD GLU A 20 0.639 0.333 -8.065 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.481 0.842 -8.787 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.532 0.113 -8.334 1.00 0.00 O ATOM 0 H GLU A 20 0.323 2.759 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.382 2.379 -6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.910 1.824 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.287 0.836 -4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.104 -0.508 -6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.445 -0.849 -6.265 1.00 0.00 H new ATOM 320 N TYR A 21 -1.537 0.306 -4.500 1.00 0.00 N ATOM 321 CA TYR A 21 -2.617 -0.695 -4.268 1.00 0.00 C ATOM 322 C TYR A 21 -3.913 -0.058 -3.787 1.00 0.00 C ATOM 323 O TYR A 21 -4.746 -0.722 -3.201 1.00 0.00 O ATOM 324 CB TYR A 21 -2.109 -1.670 -3.188 1.00 0.00 C ATOM 325 CG TYR A 21 -1.214 -2.716 -3.829 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.120 -2.456 -4.025 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.728 -3.934 -4.217 1.00 0.00 C ATOM 328 CE1 TYR A 21 0.940 -3.400 -4.600 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.911 -4.882 -4.794 1.00 0.00 C ATOM 330 CZ TYR A 21 0.431 -4.622 -4.992 1.00 0.00 C ATOM 331 OH TYR A 21 1.249 -5.565 -5.578 1.00 0.00 O ATOM 0 H TYR A 21 -0.945 0.499 -3.692 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.839 -1.196 -5.211 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.558 -1.125 -2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.952 -2.152 -2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.529 -1.503 -3.725 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.776 -4.147 -4.068 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.988 -3.184 -4.745 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.323 -5.834 -5.093 1.00 0.00 H new ATOM 0 HH TYR A 21 0.726 -6.366 -5.789 1.00 0.00 H new ATOM 341 N ARG A 22 -4.069 1.198 -4.030 1.00 0.00 N ATOM 342 CA ARG A 22 -5.322 1.868 -3.579 1.00 0.00 C ATOM 343 C ARG A 22 -6.517 1.596 -4.519 1.00 0.00 C ATOM 344 O ARG A 22 -7.626 1.484 -4.056 1.00 0.00 O ATOM 345 CB ARG A 22 -5.118 3.401 -3.494 1.00 0.00 C ATOM 346 CG ARG A 22 -6.229 3.988 -2.616 1.00 0.00 C ATOM 347 CD ARG A 22 -6.193 5.512 -2.704 1.00 0.00 C ATOM 348 NE ARG A 22 -4.980 6.002 -2.003 1.00 0.00 N ATOM 349 CZ ARG A 22 -4.897 7.255 -1.658 1.00 0.00 C ATOM 350 NH1 ARG A 22 -5.893 8.054 -1.935 1.00 0.00 N ATOM 351 NH2 ARG A 22 -3.817 7.673 -1.062 1.00 0.00 N ATOM 0 H ARG A 22 -3.398 1.794 -4.515 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.549 1.451 -2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.140 3.631 -3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.148 3.844 -4.490 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.200 3.617 -2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.097 3.669 -1.582 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.181 5.830 -3.747 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.089 5.938 -2.251 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.215 5.361 -1.793 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.718 7.693 -2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.845 9.038 -1.672 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.054 7.022 -0.873 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.734 8.651 -0.784 1.00 0.00 H new ATOM 365 N PRO A 23 -6.274 1.489 -5.834 1.00 0.00 N ATOM 366 CA PRO A 23 -7.355 1.236 -6.787 1.00 0.00 C ATOM 367 C PRO A 23 -7.671 -0.266 -6.896 1.00 0.00 C ATOM 368 O PRO A 23 -8.783 -0.647 -7.198 1.00 0.00 O ATOM 369 CB PRO A 23 -6.783 1.745 -8.144 1.00 0.00 C ATOM 370 CG PRO A 23 -5.230 1.861 -7.958 1.00 0.00 C ATOM 371 CD PRO A 23 -4.942 1.623 -6.452 1.00 0.00 C ATOM 0 HA PRO A 23 -8.282 1.726 -6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.026 1.054 -8.951 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.215 2.710 -8.409 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.711 1.125 -8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.875 2.844 -8.269 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.343 0.725 -6.300 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.386 2.454 -6.019 1.00 0.00 H new ATOM 379 N LYS A 24 -6.682 -1.080 -6.641 1.00 0.00 N ATOM 380 CA LYS A 24 -6.894 -2.533 -6.727 1.00 0.00 C ATOM 381 C LYS A 24 -8.031 -2.964 -5.825 1.00 0.00 C ATOM 382 O LYS A 24 -9.005 -3.532 -6.274 1.00 0.00 O ATOM 383 CB LYS A 24 -5.607 -3.225 -6.264 1.00 0.00 C ATOM 384 CG LYS A 24 -4.404 -2.666 -7.041 1.00 0.00 C ATOM 385 CD LYS A 24 -4.547 -2.994 -8.536 1.00 0.00 C ATOM 386 CE LYS A 24 -3.179 -2.851 -9.215 1.00 0.00 C ATOM 387 NZ LYS A 24 -3.316 -2.966 -10.693 1.00 0.00 N ATOM 0 H LYS A 24 -5.740 -0.791 -6.378 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.144 -2.803 -7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.465 -3.069 -5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.685 -4.301 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.340 -1.587 -6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.479 -3.093 -6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.926 -4.008 -8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.269 -2.323 -9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.738 -1.888 -8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.501 -3.620 -8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.381 -2.867 -11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.717 -3.895 -10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.946 -2.216 -11.043 1.00 0.00 H new ATOM 401 N ILE A 25 -7.885 -2.688 -4.570 1.00 0.00 N ATOM 402 CA ILE A 25 -8.939 -3.067 -3.612 1.00 0.00 C ATOM 403 C ILE A 25 -10.177 -2.185 -3.804 1.00 0.00 C ATOM 404 O ILE A 25 -11.262 -2.679 -4.033 1.00 0.00 O ATOM 405 CB ILE A 25 -8.385 -2.893 -2.157 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.161 -1.947 -2.156 1.00 0.00 C ATOM 407 CG2 ILE A 25 -7.942 -4.287 -1.613 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.958 -1.363 -0.750 1.00 0.00 C ATOM 0 H ILE A 25 -7.077 -2.214 -4.166 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.226 -4.105 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.167 -2.467 -1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.269 -2.491 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.311 -1.143 -2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.555 -4.176 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.798 -4.962 -1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.164 -4.698 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.095 -0.697 -0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.846 -0.804 -0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.788 -2.173 -0.041 1.00 0.00 H new ATOM 420 N LYS A 26 -9.992 -0.895 -3.706 1.00 0.00 N ATOM 421 CA LYS A 26 -11.145 0.016 -3.880 1.00 0.00 C ATOM 422 C LYS A 26 -11.875 -0.333 -5.160 1.00 0.00 C ATOM 423 O LYS A 26 -13.041 -0.030 -5.324 1.00 0.00 O ATOM 424 CB LYS A 26 -10.612 1.468 -3.965 1.00 0.00 C ATOM 425 CG LYS A 26 -11.740 2.444 -4.354 1.00 0.00 C ATOM 426 CD LYS A 26 -12.880 2.360 -3.336 1.00 0.00 C ATOM 427 CE LYS A 26 -13.803 3.568 -3.528 1.00 0.00 C ATOM 428 NZ LYS A 26 -14.222 3.683 -4.959 1.00 0.00 N ATOM 0 H LYS A 26 -9.098 -0.442 -3.515 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.833 -0.082 -3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.187 1.761 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.808 1.523 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.353 3.462 -4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.112 2.204 -5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.438 1.433 -3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.480 2.348 -2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.682 3.466 -2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.290 4.478 -3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.186 4.069 -5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.569 4.317 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.203 2.743 -5.403 1.00 0.00 H new ATOM 442 N GLY A 27 -11.169 -0.969 -6.051 1.00 0.00 N ATOM 443 CA GLY A 27 -11.795 -1.353 -7.328 1.00 0.00 C ATOM 444 C GLY A 27 -12.913 -2.344 -7.057 1.00 0.00 C ATOM 445 O GLY A 27 -14.055 -2.118 -7.400 1.00 0.00 O ATOM 0 H GLY A 27 -10.190 -1.235 -5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.189 -0.471 -7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.053 -1.796 -7.992 1.00 0.00 H new ATOM 449 N GLU A 28 -12.548 -3.431 -6.441 1.00 0.00 N ATOM 450 CA GLU A 28 -13.533 -4.466 -6.121 1.00 0.00 C ATOM 451 C GLU A 28 -14.319 -4.100 -4.857 1.00 0.00 C ATOM 452 O GLU A 28 -15.154 -4.854 -4.403 1.00 0.00 O ATOM 453 CB GLU A 28 -12.768 -5.766 -5.867 1.00 0.00 C ATOM 454 CG GLU A 28 -12.230 -6.308 -7.194 1.00 0.00 C ATOM 455 CD GLU A 28 -11.171 -7.375 -6.905 1.00 0.00 C ATOM 456 OE1 GLU A 28 -11.582 -8.510 -6.731 1.00 0.00 O ATOM 457 OE2 GLU A 28 -10.013 -6.993 -6.870 1.00 0.00 O ATOM 0 H GLU A 28 -11.593 -3.638 -6.147 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.238 -4.568 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.945 -5.587 -5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.424 -6.501 -5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.042 -6.734 -7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.798 -5.499 -7.783 1.00 0.00 H new ATOM 464 N HIS A 29 -14.026 -2.938 -4.309 1.00 0.00 N ATOM 465 CA HIS A 29 -14.742 -2.492 -3.073 1.00 0.00 C ATOM 466 C HIS A 29 -15.118 -1.005 -3.167 1.00 0.00 C ATOM 467 O HIS A 29 -14.640 -0.201 -2.395 1.00 0.00 O ATOM 468 CB HIS A 29 -13.775 -2.651 -1.887 1.00 0.00 C ATOM 469 CG HIS A 29 -13.640 -4.127 -1.503 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.180 -4.651 -0.506 1.00 0.00 N ATOM 471 CD2 HIS A 29 -12.913 -5.136 -2.102 1.00 0.00 C ATOM 472 CE1 HIS A 29 -13.880 -5.876 -0.405 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.072 -6.284 -1.386 1.00 0.00 N ATOM 0 H HIS A 29 -13.326 -2.287 -4.665 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.647 -3.087 -2.951 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.798 -2.246 -2.150 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.139 -2.078 -1.034 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.314 -5.032 -2.995 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.237 -6.519 0.386 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.678 -7.210 -1.555 1.00 0.00 H new ATOM 481 N PRO A 30 -15.993 -0.668 -4.101 1.00 0.00 N ATOM 482 CA PRO A 30 -16.407 0.722 -4.269 1.00 0.00 C ATOM 483 C PRO A 30 -17.107 1.255 -3.001 1.00 0.00 C ATOM 484 O PRO A 30 -18.314 1.383 -2.957 1.00 0.00 O ATOM 485 CB PRO A 30 -17.382 0.702 -5.498 1.00 0.00 C ATOM 486 CG PRO A 30 -17.554 -0.798 -5.928 1.00 0.00 C ATOM 487 CD PRO A 30 -16.632 -1.643 -5.011 1.00 0.00 C ATOM 0 HA PRO A 30 -15.558 1.386 -4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.345 1.139 -5.233 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.978 1.294 -6.319 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.593 -1.112 -5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.283 -0.932 -6.975 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.204 -2.386 -4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.887 -2.185 -5.593 1.00 0.00 H new ATOM 495 N GLY A 31 -16.323 1.553 -1.984 1.00 0.00 N ATOM 496 CA GLY A 31 -16.936 2.074 -0.727 1.00 0.00 C ATOM 497 C GLY A 31 -15.987 1.935 0.478 1.00 0.00 C ATOM 498 O GLY A 31 -16.431 1.655 1.574 1.00 0.00 O ATOM 0 H GLY A 31 -15.307 1.458 -1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.201 3.123 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.861 1.535 -0.524 1.00 0.00 H new ATOM 502 N LEU A 32 -14.699 2.128 0.267 1.00 0.00 N ATOM 503 CA LEU A 32 -13.755 1.999 1.425 1.00 0.00 C ATOM 504 C LEU A 32 -13.620 3.311 2.167 1.00 0.00 C ATOM 505 O LEU A 32 -13.722 4.375 1.592 1.00 0.00 O ATOM 506 CB LEU A 32 -12.316 1.655 0.925 1.00 0.00 C ATOM 507 CG LEU A 32 -12.200 0.246 0.292 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.724 -0.198 0.368 1.00 0.00 C ATOM 509 CD2 LEU A 32 -13.028 -0.772 1.064 1.00 0.00 C ATOM 0 H LEU A 32 -14.274 2.362 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.161 1.218 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.007 2.400 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.623 1.726 1.763 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.560 0.296 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.619 -1.189 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.102 0.510 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.407 -0.229 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.928 -1.752 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.674 -0.823 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.076 -0.471 1.055 1.00 0.00 H new ATOM 521 N SER A 33 -13.395 3.202 3.446 1.00 0.00 N ATOM 522 CA SER A 33 -13.237 4.405 4.276 1.00 0.00 C ATOM 523 C SER A 33 -11.748 4.683 4.389 1.00 0.00 C ATOM 524 O SER A 33 -10.959 3.763 4.368 1.00 0.00 O ATOM 525 CB SER A 33 -13.841 4.131 5.689 1.00 0.00 C ATOM 526 OG SER A 33 -14.218 2.765 5.654 1.00 0.00 O ATOM 0 H SER A 33 -13.315 2.317 3.947 1.00 0.00 H new ATOM 0 HA SER A 33 -13.750 5.261 3.838 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.112 4.322 6.476 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.698 4.775 5.886 1.00 0.00 H new ATOM 0 HG SER A 33 -14.609 2.511 6.516 1.00 0.00 H new ATOM 532 N ILE A 34 -11.379 5.919 4.509 1.00 0.00 N ATOM 533 CA ILE A 34 -9.930 6.227 4.620 1.00 0.00 C ATOM 534 C ILE A 34 -9.249 5.265 5.581 1.00 0.00 C ATOM 535 O ILE A 34 -8.078 4.968 5.444 1.00 0.00 O ATOM 536 CB ILE A 34 -9.776 7.652 5.137 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.668 8.600 4.327 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.306 8.082 4.959 1.00 0.00 C ATOM 539 CD1 ILE A 34 -10.349 10.053 4.705 1.00 0.00 C ATOM 0 H ILE A 34 -12.006 6.723 4.535 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.464 6.123 3.640 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.065 7.693 6.187 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.505 8.447 3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.718 8.384 4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.178 9.101 5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.659 7.410 5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.040 8.039 3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.983 10.727 4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.534 10.201 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.302 10.265 4.486 1.00 0.00 H new ATOM 551 N GLY A 35 -9.993 4.796 6.532 1.00 0.00 N ATOM 552 CA GLY A 35 -9.410 3.851 7.508 1.00 0.00 C ATOM 553 C GLY A 35 -9.217 2.484 6.838 1.00 0.00 C ATOM 554 O GLY A 35 -8.147 1.928 6.862 1.00 0.00 O ATOM 0 H GLY A 35 -10.976 5.025 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.454 4.229 7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.065 3.755 8.374 1.00 0.00 H new ATOM 558 N ASP A 36 -10.265 1.990 6.230 1.00 0.00 N ATOM 559 CA ASP A 36 -10.172 0.672 5.555 1.00 0.00 C ATOM 560 C ASP A 36 -9.125 0.684 4.477 1.00 0.00 C ATOM 561 O ASP A 36 -8.375 -0.256 4.317 1.00 0.00 O ATOM 562 CB ASP A 36 -11.531 0.378 4.891 1.00 0.00 C ATOM 563 CG ASP A 36 -11.688 -1.134 4.681 1.00 0.00 C ATOM 564 OD1 ASP A 36 -11.212 -1.590 3.651 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.272 -1.747 5.560 1.00 0.00 O ATOM 0 H ASP A 36 -11.176 2.445 6.175 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.907 -0.082 6.296 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.341 0.754 5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.599 0.897 3.935 1.00 0.00 H new ATOM 570 N VAL A 37 -9.099 1.745 3.753 1.00 0.00 N ATOM 571 CA VAL A 37 -8.119 1.849 2.678 1.00 0.00 C ATOM 572 C VAL A 37 -6.724 1.628 3.226 1.00 0.00 C ATOM 573 O VAL A 37 -6.040 0.711 2.846 1.00 0.00 O ATOM 574 CB VAL A 37 -8.212 3.282 2.086 1.00 0.00 C ATOM 575 CG1 VAL A 37 -7.089 3.477 1.084 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.567 3.473 1.387 1.00 0.00 C ATOM 0 H VAL A 37 -9.719 2.547 3.863 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.320 1.098 1.914 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.122 4.014 2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.147 4.481 0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.129 3.348 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.183 2.743 0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.625 4.480 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.667 2.745 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.372 3.330 2.108 1.00 0.00 H new ATOM 586 N ALA A 38 -6.353 2.453 4.135 1.00 0.00 N ATOM 587 CA ALA A 38 -5.016 2.332 4.733 1.00 0.00 C ATOM 588 C ALA A 38 -4.840 1.034 5.541 1.00 0.00 C ATOM 589 O ALA A 38 -3.760 0.478 5.576 1.00 0.00 O ATOM 590 CB ALA A 38 -4.817 3.541 5.634 1.00 0.00 C ATOM 0 H ALA A 38 -6.924 3.217 4.497 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.272 2.294 3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.833 3.490 6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.891 4.453 5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.584 3.548 6.408 1.00 0.00 H new ATOM 596 N LYS A 39 -5.891 0.566 6.174 1.00 0.00 N ATOM 597 CA LYS A 39 -5.750 -0.691 6.962 1.00 0.00 C ATOM 598 C LYS A 39 -5.505 -1.880 6.036 1.00 0.00 C ATOM 599 O LYS A 39 -4.545 -2.607 6.189 1.00 0.00 O ATOM 600 CB LYS A 39 -7.069 -0.926 7.776 1.00 0.00 C ATOM 601 CG LYS A 39 -6.848 -0.562 9.263 1.00 0.00 C ATOM 602 CD LYS A 39 -6.282 0.888 9.379 1.00 0.00 C ATOM 603 CE LYS A 39 -6.858 1.572 10.629 1.00 0.00 C ATOM 604 NZ LYS A 39 -8.227 2.088 10.353 1.00 0.00 N ATOM 0 H LYS A 39 -6.818 0.991 6.178 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.900 -0.598 7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.874 -0.320 7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.378 -1.968 7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.789 -0.639 9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.156 -1.269 9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.194 0.860 9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.539 1.461 8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.889 0.864 11.457 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.208 2.392 10.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.669 2.394 11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.169 2.895 9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.801 1.335 9.922 1.00 0.00 H new ATOM 618 N LYS A 40 -6.384 -2.049 5.106 1.00 0.00 N ATOM 619 CA LYS A 40 -6.242 -3.169 4.155 1.00 0.00 C ATOM 620 C LYS A 40 -4.895 -3.092 3.448 1.00 0.00 C ATOM 621 O LYS A 40 -4.236 -4.084 3.256 1.00 0.00 O ATOM 622 CB LYS A 40 -7.403 -3.061 3.117 1.00 0.00 C ATOM 623 CG LYS A 40 -7.842 -4.470 2.658 1.00 0.00 C ATOM 624 CD LYS A 40 -9.226 -4.378 1.995 1.00 0.00 C ATOM 625 CE LYS A 40 -9.663 -5.777 1.528 1.00 0.00 C ATOM 626 NZ LYS A 40 -10.210 -6.563 2.671 1.00 0.00 N ATOM 0 H LYS A 40 -7.201 -1.456 4.961 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.290 -4.122 4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.249 -2.535 3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.078 -2.475 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.116 -4.879 1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.878 -5.148 3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.953 -3.974 2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.190 -3.694 1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.418 -5.687 0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.814 -6.303 1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.500 -7.504 2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.479 -6.665 3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.033 -6.068 3.070 1.00 0.00 H new ATOM 640 N LEU A 41 -4.518 -1.926 3.058 1.00 0.00 N ATOM 641 CA LEU A 41 -3.220 -1.809 2.373 1.00 0.00 C ATOM 642 C LEU A 41 -2.127 -2.337 3.261 1.00 0.00 C ATOM 643 O LEU A 41 -1.161 -2.915 2.800 1.00 0.00 O ATOM 644 CB LEU A 41 -2.937 -0.324 2.086 1.00 0.00 C ATOM 645 CG LEU A 41 -3.834 0.169 0.949 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.817 1.709 0.944 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.304 -0.361 -0.404 1.00 0.00 C ATOM 0 H LEU A 41 -5.041 -1.059 3.180 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.251 -2.380 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.115 0.269 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.889 -0.190 1.818 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.852 -0.194 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.452 2.077 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.190 2.080 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.797 2.061 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.946 -0.007 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.288 0.001 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.303 -1.451 -0.393 1.00 0.00 H new ATOM 659 N GLY A 42 -2.295 -2.127 4.523 1.00 0.00 N ATOM 660 CA GLY A 42 -1.284 -2.601 5.472 1.00 0.00 C ATOM 661 C GLY A 42 -1.192 -4.131 5.421 1.00 0.00 C ATOM 662 O GLY A 42 -0.138 -4.703 5.628 1.00 0.00 O ATOM 0 H GLY A 42 -3.093 -1.645 4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.315 -2.162 5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.540 -2.277 6.481 1.00 0.00 H new ATOM 666 N GLU A 43 -2.310 -4.763 5.143 1.00 0.00 N ATOM 667 CA GLU A 43 -2.320 -6.234 5.072 1.00 0.00 C ATOM 668 C GLU A 43 -1.548 -6.704 3.835 1.00 0.00 C ATOM 669 O GLU A 43 -0.593 -7.448 3.946 1.00 0.00 O ATOM 670 CB GLU A 43 -3.811 -6.704 4.988 1.00 0.00 C ATOM 671 CG GLU A 43 -4.312 -7.090 6.395 1.00 0.00 C ATOM 672 CD GLU A 43 -3.838 -8.507 6.741 1.00 0.00 C ATOM 673 OE1 GLU A 43 -2.632 -8.663 6.842 1.00 0.00 O ATOM 674 OE2 GLU A 43 -4.708 -9.349 6.885 1.00 0.00 O ATOM 0 H GLU A 43 -3.207 -4.312 4.965 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.841 -6.659 5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.431 -5.908 4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.897 -7.556 4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.937 -6.380 7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.400 -7.041 6.430 1.00 0.00 H new ATOM 681 N MET A 44 -1.973 -6.267 2.678 1.00 0.00 N ATOM 682 CA MET A 44 -1.260 -6.690 1.447 1.00 0.00 C ATOM 683 C MET A 44 0.212 -6.354 1.571 1.00 0.00 C ATOM 684 O MET A 44 1.068 -7.164 1.274 1.00 0.00 O ATOM 685 CB MET A 44 -1.871 -5.943 0.240 1.00 0.00 C ATOM 686 CG MET A 44 -3.143 -6.686 -0.195 1.00 0.00 C ATOM 687 SD MET A 44 -4.204 -5.887 -1.412 1.00 0.00 S ATOM 688 CE MET A 44 -4.447 -4.356 -0.495 1.00 0.00 C ATOM 0 H MET A 44 -2.770 -5.646 2.537 1.00 0.00 H new ATOM 0 HA MET A 44 -1.364 -7.766 1.305 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.107 -4.914 0.510 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.156 -5.901 -0.582 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.845 -7.655 -0.595 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.740 -6.878 0.696 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.337 -3.847 -0.866 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.573 -4.582 0.564 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.578 -3.711 -0.627 1.00 0.00 H new ATOM 698 N TRP A 45 0.484 -5.163 2.010 1.00 0.00 N ATOM 699 CA TRP A 45 1.894 -4.747 2.169 1.00 0.00 C ATOM 700 C TRP A 45 2.614 -5.766 3.006 1.00 0.00 C ATOM 701 O TRP A 45 3.581 -6.369 2.583 1.00 0.00 O ATOM 702 CB TRP A 45 1.885 -3.407 2.908 1.00 0.00 C ATOM 703 CG TRP A 45 3.290 -3.002 3.377 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.636 -2.916 4.648 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.249 -2.548 2.599 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.854 -2.376 4.616 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.321 -2.104 3.352 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.278 -2.413 1.235 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.402 -1.528 2.740 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.368 -1.836 0.622 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.423 -1.390 1.377 1.00 0.00 C ATOM 0 H TRP A 45 -0.210 -4.461 2.265 1.00 0.00 H new ATOM 0 HA TRP A 45 2.391 -4.660 1.203 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.484 -2.634 2.253 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.220 -3.472 3.769 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.064 -3.214 5.514 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.394 -2.181 5.459 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.445 -2.759 0.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.237 -1.183 3.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.392 -1.735 -0.453 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.273 -0.929 0.896 1.00 0.00 H new ATOM 722 N ASN A 46 2.122 -5.934 4.192 1.00 0.00 N ATOM 723 CA ASN A 46 2.742 -6.915 5.109 1.00 0.00 C ATOM 724 C ASN A 46 2.958 -8.244 4.387 1.00 0.00 C ATOM 725 O ASN A 46 3.965 -8.900 4.566 1.00 0.00 O ATOM 726 CB ASN A 46 1.770 -7.155 6.291 1.00 0.00 C ATOM 727 CG ASN A 46 1.962 -6.063 7.342 1.00 0.00 C ATOM 728 OD1 ASN A 46 2.194 -4.847 6.951 1.00 0.00 O flip ATOM 729 ND2 ASN A 46 1.897 -6.310 8.529 1.00 0.00 N flip ATOM 0 H ASN A 46 1.316 -5.434 4.567 1.00 0.00 H new ATOM 0 HA ASN A 46 3.701 -6.532 5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.740 -7.153 5.934 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.953 -8.135 6.732 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.715 -7.263 8.842 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.024 -5.564 9.213 1.00 0.00 H new ATOM 736 N ASN A 47 1.998 -8.605 3.583 1.00 0.00 N ATOM 737 CA ASN A 47 2.106 -9.876 2.836 1.00 0.00 C ATOM 738 C ASN A 47 3.110 -9.773 1.694 1.00 0.00 C ATOM 739 O ASN A 47 3.692 -10.758 1.292 1.00 0.00 O ATOM 740 CB ASN A 47 0.728 -10.207 2.249 1.00 0.00 C ATOM 741 CG ASN A 47 -0.284 -10.375 3.383 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.014 -10.933 4.422 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.492 -9.909 3.223 1.00 0.00 N ATOM 0 H ASN A 47 1.145 -8.071 3.415 1.00 0.00 H new ATOM 0 HA ASN A 47 2.447 -10.653 3.520 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.407 -9.412 1.576 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.783 -11.121 1.658 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.182 -10.013 3.967 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.747 -9.440 2.354 1.00 0.00 H new ATOM 750 N THR A 48 3.298 -8.585 1.187 1.00 0.00 N ATOM 751 CA THR A 48 4.259 -8.420 0.076 1.00 0.00 C ATOM 752 C THR A 48 5.632 -8.953 0.481 1.00 0.00 C ATOM 753 O THR A 48 6.029 -8.843 1.622 1.00 0.00 O ATOM 754 CB THR A 48 4.370 -6.922 -0.243 1.00 0.00 C ATOM 755 OG1 THR A 48 3.042 -6.442 -0.186 1.00 0.00 O ATOM 756 CG2 THR A 48 4.816 -6.675 -1.713 1.00 0.00 C ATOM 0 H THR A 48 2.830 -7.733 1.495 1.00 0.00 H new ATOM 0 HA THR A 48 3.913 -8.975 -0.796 1.00 0.00 H new ATOM 0 HB THR A 48 5.080 -6.455 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.992 -5.564 -0.619 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.882 -5.603 -1.898 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.791 -7.133 -1.879 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.087 -7.116 -2.393 1.00 0.00 H new ATOM 764 N ALA A 49 6.327 -9.527 -0.459 1.00 0.00 N ATOM 765 CA ALA A 49 7.665 -10.072 -0.144 1.00 0.00 C ATOM 766 C ALA A 49 8.646 -8.964 0.229 1.00 0.00 C ATOM 767 O ALA A 49 8.533 -7.848 -0.233 1.00 0.00 O ATOM 768 CB ALA A 49 8.188 -10.802 -1.388 1.00 0.00 C ATOM 0 H ALA A 49 6.024 -9.640 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 49 7.579 -10.748 0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.176 -11.214 -1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.505 -11.611 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.255 -10.101 -2.220 1.00 0.00 H new ATOM 774 N ALA A 50 9.597 -9.294 1.066 1.00 0.00 N ATOM 775 CA ALA A 50 10.589 -8.278 1.477 1.00 0.00 C ATOM 776 C ALA A 50 11.302 -7.709 0.258 1.00 0.00 C ATOM 777 O ALA A 50 11.436 -6.511 0.114 1.00 0.00 O ATOM 778 CB ALA A 50 11.627 -8.949 2.392 1.00 0.00 C ATOM 0 H ALA A 50 9.722 -10.220 1.476 1.00 0.00 H new ATOM 0 HA ALA A 50 10.079 -7.468 1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.367 -8.212 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.128 -9.357 3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.123 -9.754 1.850 1.00 0.00 H new ATOM 784 N ASP A 51 11.751 -8.584 -0.596 1.00 0.00 N ATOM 785 CA ASP A 51 12.455 -8.122 -1.811 1.00 0.00 C ATOM 786 C ASP A 51 11.573 -7.180 -2.624 1.00 0.00 C ATOM 787 O ASP A 51 12.055 -6.426 -3.443 1.00 0.00 O ATOM 788 CB ASP A 51 12.790 -9.353 -2.671 1.00 0.00 C ATOM 789 CG ASP A 51 13.829 -8.970 -3.728 1.00 0.00 C ATOM 790 OD1 ASP A 51 14.993 -8.962 -3.364 1.00 0.00 O ATOM 791 OD2 ASP A 51 13.399 -8.708 -4.839 1.00 0.00 O ATOM 0 H ASP A 51 11.659 -9.595 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 51 13.359 -7.587 -1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.175 -10.156 -2.042 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.888 -9.730 -3.152 1.00 0.00 H new ATOM 796 N ASP A 52 10.286 -7.244 -2.383 1.00 0.00 N ATOM 797 CA ASP A 52 9.346 -6.360 -3.131 1.00 0.00 C ATOM 798 C ASP A 52 9.191 -5.002 -2.450 1.00 0.00 C ATOM 799 O ASP A 52 8.770 -4.045 -3.067 1.00 0.00 O ATOM 800 CB ASP A 52 7.976 -7.044 -3.168 1.00 0.00 C ATOM 801 CG ASP A 52 7.065 -6.306 -4.152 1.00 0.00 C ATOM 802 OD1 ASP A 52 6.659 -5.212 -3.796 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.827 -6.878 -5.203 1.00 0.00 O ATOM 0 H ASP A 52 9.850 -7.868 -1.704 1.00 0.00 H new ATOM 0 HA ASP A 52 9.743 -6.197 -4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.086 -8.086 -3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.531 -7.044 -2.173 1.00 0.00 H new ATOM 808 N LYS A 53 9.532 -4.938 -1.190 1.00 0.00 N ATOM 809 CA LYS A 53 9.409 -3.651 -0.468 1.00 0.00 C ATOM 810 C LYS A 53 10.616 -2.788 -0.758 1.00 0.00 C ATOM 811 O LYS A 53 10.629 -1.603 -0.486 1.00 0.00 O ATOM 812 CB LYS A 53 9.367 -3.952 1.031 1.00 0.00 C ATOM 813 CG LYS A 53 8.119 -4.781 1.337 1.00 0.00 C ATOM 814 CD LYS A 53 7.918 -4.849 2.853 1.00 0.00 C ATOM 815 CE LYS A 53 6.812 -5.861 3.171 1.00 0.00 C ATOM 816 NZ LYS A 53 7.321 -7.255 3.030 1.00 0.00 N ATOM 0 H LYS A 53 9.887 -5.719 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 53 8.507 -3.128 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.263 -4.495 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.351 -3.023 1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.246 -4.334 0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.226 -5.785 0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.847 -5.142 3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.650 -3.866 3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.447 -5.702 4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.967 -5.707 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.550 -7.876 2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.092 -7.274 2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.677 -7.589 3.948 1.00 0.00 H new ATOM 830 N GLN A 54 11.609 -3.412 -1.315 1.00 0.00 N ATOM 831 CA GLN A 54 12.845 -2.694 -1.653 1.00 0.00 C ATOM 832 C GLN A 54 12.589 -1.477 -2.595 1.00 0.00 C ATOM 833 O GLN A 54 12.879 -0.369 -2.243 1.00 0.00 O ATOM 834 CB GLN A 54 13.813 -3.715 -2.322 1.00 0.00 C ATOM 835 CG GLN A 54 14.876 -4.169 -1.308 1.00 0.00 C ATOM 836 CD GLN A 54 15.683 -5.322 -1.901 1.00 0.00 C ATOM 837 OE1 GLN A 54 15.286 -5.939 -2.868 1.00 0.00 O ATOM 838 NE2 GLN A 54 16.820 -5.646 -1.352 1.00 0.00 N ATOM 0 H GLN A 54 11.609 -4.404 -1.551 1.00 0.00 H new ATOM 0 HA GLN A 54 13.280 -2.281 -0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.253 -4.577 -2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.294 -3.260 -3.188 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.536 -3.338 -1.060 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.398 -4.484 -0.380 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.159 -5.131 -0.539 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.371 -6.414 -1.735 1.00 0.00 H new ATOM 847 N PRO A 55 12.044 -1.700 -3.779 1.00 0.00 N ATOM 848 CA PRO A 55 11.792 -0.588 -4.691 1.00 0.00 C ATOM 849 C PRO A 55 11.127 0.586 -3.989 1.00 0.00 C ATOM 850 O PRO A 55 11.466 1.727 -4.221 1.00 0.00 O ATOM 851 CB PRO A 55 10.830 -1.172 -5.767 1.00 0.00 C ATOM 852 CG PRO A 55 10.755 -2.718 -5.529 1.00 0.00 C ATOM 853 CD PRO A 55 11.612 -3.023 -4.274 1.00 0.00 C ATOM 0 HA PRO A 55 12.723 -0.203 -5.108 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.841 -0.721 -5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.197 -0.954 -6.770 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.723 -3.036 -5.378 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.133 -3.261 -6.396 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.033 -3.557 -3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.468 -3.651 -4.523 1.00 0.00 H new ATOM 861 N TYR A 56 10.206 0.280 -3.153 1.00 0.00 N ATOM 862 CA TYR A 56 9.496 1.359 -2.423 1.00 0.00 C ATOM 863 C TYR A 56 10.393 2.086 -1.434 1.00 0.00 C ATOM 864 O TYR A 56 10.594 3.280 -1.544 1.00 0.00 O ATOM 865 CB TYR A 56 8.342 0.732 -1.655 1.00 0.00 C ATOM 866 CG TYR A 56 7.271 0.315 -2.638 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.486 1.265 -3.229 1.00 0.00 C ATOM 868 CD2 TYR A 56 7.049 -1.014 -2.913 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.472 0.903 -4.087 1.00 0.00 C ATOM 870 CE2 TYR A 56 6.040 -1.391 -3.773 1.00 0.00 C ATOM 871 CZ TYR A 56 5.239 -0.435 -4.369 1.00 0.00 C ATOM 872 OH TYR A 56 4.229 -0.804 -5.231 1.00 0.00 O ATOM 0 H TYR A 56 9.904 -0.670 -2.934 1.00 0.00 H new ATOM 0 HA TYR A 56 9.153 2.090 -3.156 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.691 -0.131 -1.088 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.937 1.443 -0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.663 2.310 -3.021 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.670 -1.768 -2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.855 1.664 -4.542 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.875 -2.438 -3.982 1.00 0.00 H new ATOM 0 HH TYR A 56 4.210 -1.780 -5.313 1.00 0.00 H new ATOM 882 N GLU A 57 10.922 1.366 -0.495 1.00 0.00 N ATOM 883 CA GLU A 57 11.798 2.030 0.493 1.00 0.00 C ATOM 884 C GLU A 57 12.968 2.682 -0.215 1.00 0.00 C ATOM 885 O GLU A 57 13.347 3.797 0.076 1.00 0.00 O ATOM 886 CB GLU A 57 12.283 0.958 1.508 1.00 0.00 C ATOM 887 CG GLU A 57 13.474 0.182 0.958 1.00 0.00 C ATOM 888 CD GLU A 57 13.746 -1.027 1.850 1.00 0.00 C ATOM 889 OE1 GLU A 57 12.989 -1.975 1.722 1.00 0.00 O ATOM 890 OE2 GLU A 57 14.698 -0.939 2.608 1.00 0.00 O ATOM 0 H GLU A 57 10.789 0.363 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 57 11.256 2.812 1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.560 1.439 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.468 0.269 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.271 -0.143 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.354 0.824 0.918 1.00 0.00 H new ATOM 897 N LYS A 58 13.503 1.959 -1.128 1.00 0.00 N ATOM 898 CA LYS A 58 14.652 2.463 -1.904 1.00 0.00 C ATOM 899 C LYS A 58 14.284 3.766 -2.619 1.00 0.00 C ATOM 900 O LYS A 58 15.109 4.638 -2.785 1.00 0.00 O ATOM 901 CB LYS A 58 15.028 1.390 -2.957 1.00 0.00 C ATOM 902 CG LYS A 58 16.423 1.698 -3.554 1.00 0.00 C ATOM 903 CD LYS A 58 17.532 1.123 -2.633 1.00 0.00 C ATOM 904 CE LYS A 58 18.922 1.223 -3.330 1.00 0.00 C ATOM 905 NZ LYS A 58 19.908 1.875 -2.422 1.00 0.00 N ATOM 0 H LYS A 58 13.192 1.021 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 58 15.489 2.660 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.031 0.402 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.281 1.370 -3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.505 1.264 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.551 2.775 -3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.551 1.670 -1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.312 0.083 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.272 0.228 -3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.833 1.795 -4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.831 1.936 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.579 2.832 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 20.004 1.313 -1.552 1.00 0.00 H new ATOM 919 N LYS A 59 13.041 3.876 -3.021 1.00 0.00 N ATOM 920 CA LYS A 59 12.606 5.107 -3.721 1.00 0.00 C ATOM 921 C LYS A 59 12.811 6.311 -2.827 1.00 0.00 C ATOM 922 O LYS A 59 13.450 7.275 -3.200 1.00 0.00 O ATOM 923 CB LYS A 59 11.093 4.973 -4.050 1.00 0.00 C ATOM 924 CG LYS A 59 10.696 6.003 -5.130 1.00 0.00 C ATOM 925 CD LYS A 59 9.393 5.553 -5.811 1.00 0.00 C ATOM 926 CE LYS A 59 9.017 6.548 -6.925 1.00 0.00 C ATOM 927 NZ LYS A 59 8.245 7.692 -6.364 1.00 0.00 N ATOM 0 H LYS A 59 12.319 3.167 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 59 13.189 5.237 -4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.876 3.964 -4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.501 5.132 -3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.563 6.986 -4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.492 6.097 -5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.517 4.554 -6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.590 5.494 -5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.920 6.915 -7.413 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.426 6.042 -7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.000 8.353 -7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.374 7.338 -5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.822 8.184 -5.652 1.00 0.00 H new ATOM 941 N ALA A 60 12.261 6.239 -1.665 1.00 0.00 N ATOM 942 CA ALA A 60 12.416 7.366 -0.737 1.00 0.00 C ATOM 943 C ALA A 60 13.894 7.671 -0.532 1.00 0.00 C ATOM 944 O ALA A 60 14.265 8.790 -0.260 1.00 0.00 O ATOM 945 CB ALA A 60 11.784 6.983 0.621 1.00 0.00 C ATOM 0 H ALA A 60 11.713 5.452 -1.318 1.00 0.00 H new ATOM 0 HA ALA A 60 11.923 8.247 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.893 7.812 1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.726 6.763 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.287 6.103 1.021 1.00 0.00 H new