USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=13 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 44:sc= 0.72 USER MOD Single : A 18 CYS SG : rot 180:sc= -3.6 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+ 159:sc= -0.257 (180deg=-1.07) USER MOD Single : A 29 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.0038) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00466) USER MOD Single : A 40 LYS NZ :NH3+ 149:sc= -0.0368 (180deg=-1.13!) USER MOD Single : A 44 MET CE :methyl 177:sc= -0.136 (180deg=-0.148) USER MOD Single : A 46 ASN : amide:sc= -0.598 K(o=-0.6,f=-1.3) USER MOD Single : A 47 ASN : amide:sc= -2.12! X(o=-2.1!,f=-1.7) USER MOD Single : A 48 THR OG1 : rot 63:sc= 0.644 USER MOD Single : A 53 LYS NZ :NH3+ -95:sc= 1.28 (180deg=-0.0657) USER MOD Single : A 54 GLN : amide:sc= 0.0858 X(o=0.086,f=-0.036) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= -0.0213 (180deg=-0.536) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 5.049 8.110 3.294 1.00 0.00 N ATOM 184 CA SER A 12 5.634 6.917 3.993 1.00 0.00 C ATOM 185 C SER A 12 5.998 5.827 2.981 1.00 0.00 C ATOM 186 O SER A 12 5.649 5.915 1.826 1.00 0.00 O ATOM 187 CB SER A 12 4.575 6.363 4.960 1.00 0.00 C ATOM 188 OG SER A 12 4.019 7.523 5.561 1.00 0.00 O ATOM 0 HA SER A 12 6.536 7.215 4.527 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.817 5.784 4.433 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.020 5.702 5.704 1.00 0.00 H new ATOM 0 HG SER A 12 3.863 8.205 4.874 1.00 0.00 H new ATOM 194 N ALA A 13 6.698 4.816 3.431 1.00 0.00 N ATOM 195 CA ALA A 13 7.079 3.729 2.495 1.00 0.00 C ATOM 196 C ALA A 13 5.858 3.063 1.929 1.00 0.00 C ATOM 197 O ALA A 13 5.574 3.145 0.749 1.00 0.00 O ATOM 198 CB ALA A 13 7.870 2.653 3.267 1.00 0.00 C ATOM 0 H ALA A 13 7.016 4.701 4.393 1.00 0.00 H new ATOM 0 HA ALA A 13 7.673 4.165 1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.153 1.851 2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.767 3.099 3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.249 2.248 4.066 1.00 0.00 H new ATOM 204 N PHE A 14 5.160 2.417 2.793 1.00 0.00 N ATOM 205 CA PHE A 14 3.940 1.713 2.379 1.00 0.00 C ATOM 206 C PHE A 14 2.928 2.668 1.710 1.00 0.00 C ATOM 207 O PHE A 14 1.884 2.244 1.256 1.00 0.00 O ATOM 208 CB PHE A 14 3.354 1.011 3.657 1.00 0.00 C ATOM 209 CG PHE A 14 1.869 1.322 3.902 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.441 2.619 4.074 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.951 0.292 3.989 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.112 2.887 4.330 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.371 0.558 4.246 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.793 1.856 4.415 1.00 0.00 C ATOM 0 H PHE A 14 5.386 2.345 3.785 1.00 0.00 H new ATOM 0 HA PHE A 14 4.167 0.965 1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.480 -0.067 3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.930 1.321 4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.150 3.431 4.008 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.276 -0.729 3.854 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.217 3.907 4.464 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.081 -0.253 4.316 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.834 2.065 4.614 1.00 0.00 H new ATOM 224 N PHE A 15 3.214 3.942 1.720 1.00 0.00 N ATOM 225 CA PHE A 15 2.259 4.881 1.077 1.00 0.00 C ATOM 226 C PHE A 15 2.488 4.807 -0.395 1.00 0.00 C ATOM 227 O PHE A 15 1.570 4.735 -1.181 1.00 0.00 O ATOM 228 CB PHE A 15 2.534 6.307 1.534 1.00 0.00 C ATOM 229 CG PHE A 15 1.486 7.225 0.911 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.225 7.337 1.471 1.00 0.00 C ATOM 231 CD2 PHE A 15 1.779 7.951 -0.227 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.721 8.161 0.901 1.00 0.00 C ATOM 233 CE2 PHE A 15 0.831 8.776 -0.795 1.00 0.00 C ATOM 234 CZ PHE A 15 -0.418 8.881 -0.232 1.00 0.00 C ATOM 0 H PHE A 15 4.046 4.363 2.135 1.00 0.00 H new ATOM 0 HA PHE A 15 1.236 4.614 1.343 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.495 6.371 2.621 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.535 6.615 1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.019 6.775 2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.758 7.872 -0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.702 8.242 1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.071 9.341 -1.684 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.160 9.527 -0.678 1.00 0.00 H new ATOM 244 N LEU A 16 3.733 4.825 -0.748 1.00 0.00 N ATOM 245 CA LEU A 16 4.078 4.750 -2.167 1.00 0.00 C ATOM 246 C LEU A 16 3.499 3.470 -2.703 1.00 0.00 C ATOM 247 O LEU A 16 3.337 3.283 -3.890 1.00 0.00 O ATOM 248 CB LEU A 16 5.609 4.675 -2.291 1.00 0.00 C ATOM 249 CG LEU A 16 6.267 5.809 -1.498 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.774 5.530 -1.414 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.026 7.142 -2.208 1.00 0.00 C ATOM 0 H LEU A 16 4.524 4.889 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 16 3.696 5.615 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.963 3.712 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.899 4.741 -3.340 1.00 0.00 H new ATOM 0 HG LEU A 16 5.840 5.863 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.261 6.327 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.940 4.578 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.193 5.487 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.495 7.946 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.456 7.104 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.954 7.327 -2.281 1.00 0.00 H new ATOM 263 N PHE A 17 3.197 2.602 -1.774 1.00 0.00 N ATOM 264 CA PHE A 17 2.624 1.302 -2.120 1.00 0.00 C ATOM 265 C PHE A 17 1.108 1.421 -2.142 1.00 0.00 C ATOM 266 O PHE A 17 0.439 0.760 -2.898 1.00 0.00 O ATOM 267 CB PHE A 17 3.072 0.357 -1.025 1.00 0.00 C ATOM 268 CG PHE A 17 2.316 -0.938 -1.058 1.00 0.00 C ATOM 269 CD1 PHE A 17 1.089 -1.041 -0.428 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.876 -2.052 -1.632 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.443 -2.240 -0.371 1.00 0.00 C ATOM 272 CE2 PHE A 17 2.227 -3.254 -1.576 1.00 0.00 C ATOM 273 CZ PHE A 17 1.010 -3.346 -0.940 1.00 0.00 C ATOM 0 H PHE A 17 3.332 2.758 -0.775 1.00 0.00 H new ATOM 0 HA PHE A 17 2.944 0.946 -3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.138 0.157 -1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.933 0.834 -0.055 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.640 -0.167 0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.832 -1.979 -2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.515 -2.316 0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.668 -4.129 -2.030 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.500 -4.297 -0.890 1.00 0.00 H new ATOM 283 N CYS A 18 0.585 2.246 -1.273 1.00 0.00 N ATOM 284 CA CYS A 18 -0.869 2.414 -1.246 1.00 0.00 C ATOM 285 C CYS A 18 -1.345 2.817 -2.637 1.00 0.00 C ATOM 286 O CYS A 18 -2.030 2.068 -3.300 1.00 0.00 O ATOM 287 CB CYS A 18 -1.220 3.543 -0.251 1.00 0.00 C ATOM 288 SG CYS A 18 -2.944 4.097 -0.190 1.00 0.00 S ATOM 0 H CYS A 18 1.108 2.799 -0.594 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.349 1.483 -0.943 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.938 3.211 0.748 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.597 4.406 -0.488 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.065 5.042 0.694 1.00 0.00 H new ATOM 294 N SER A 19 -0.919 3.986 -3.067 1.00 0.00 N ATOM 295 CA SER A 19 -1.321 4.485 -4.411 1.00 0.00 C ATOM 296 C SER A 19 -1.302 3.367 -5.438 1.00 0.00 C ATOM 297 O SER A 19 -2.068 3.372 -6.383 1.00 0.00 O ATOM 298 CB SER A 19 -0.316 5.565 -4.846 1.00 0.00 C ATOM 299 OG SER A 19 -0.720 5.901 -6.166 1.00 0.00 O ATOM 0 H SER A 19 -0.310 4.611 -2.539 1.00 0.00 H new ATOM 0 HA SER A 19 -2.333 4.884 -4.350 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.351 6.431 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.707 5.189 -4.825 1.00 0.00 H new ATOM 0 HG SER A 19 -0.126 6.593 -6.524 1.00 0.00 H new ATOM 305 N GLU A 20 -0.416 2.436 -5.245 1.00 0.00 N ATOM 306 CA GLU A 20 -0.330 1.309 -6.196 1.00 0.00 C ATOM 307 C GLU A 20 -1.469 0.320 -5.929 1.00 0.00 C ATOM 308 O GLU A 20 -2.182 -0.062 -6.832 1.00 0.00 O ATOM 309 CB GLU A 20 1.047 0.609 -6.018 1.00 0.00 C ATOM 310 CG GLU A 20 1.057 -0.741 -6.740 1.00 0.00 C ATOM 311 CD GLU A 20 0.573 -0.554 -8.182 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.163 0.281 -8.847 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.360 -1.258 -8.534 1.00 0.00 O ATOM 0 H GLU A 20 0.249 2.410 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.422 1.674 -7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.839 1.245 -6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.254 0.463 -4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.063 -1.161 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.413 -1.449 -6.218 1.00 0.00 H new ATOM 320 N TYR A 21 -1.612 -0.084 -4.682 1.00 0.00 N ATOM 321 CA TYR A 21 -2.693 -1.044 -4.328 1.00 0.00 C ATOM 322 C TYR A 21 -3.929 -0.343 -3.764 1.00 0.00 C ATOM 323 O TYR A 21 -4.752 -0.965 -3.128 1.00 0.00 O ATOM 324 CB TYR A 21 -2.138 -1.974 -3.252 1.00 0.00 C ATOM 325 CG TYR A 21 -1.220 -2.998 -3.882 1.00 0.00 C ATOM 326 CD1 TYR A 21 -1.717 -4.202 -4.327 1.00 0.00 C ATOM 327 CD2 TYR A 21 0.127 -2.742 -3.994 1.00 0.00 C ATOM 328 CE1 TYR A 21 -0.873 -5.146 -4.874 1.00 0.00 C ATOM 329 CE2 TYR A 21 0.974 -3.683 -4.538 1.00 0.00 C ATOM 330 CZ TYR A 21 0.480 -4.893 -4.986 1.00 0.00 C ATOM 331 OH TYR A 21 1.326 -5.836 -5.531 1.00 0.00 O ATOM 0 H TYR A 21 -1.024 0.214 -3.903 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.996 -1.577 -5.229 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.594 -1.396 -2.504 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.956 -2.475 -2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.774 -4.409 -4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.523 -1.797 -3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.273 -6.089 -5.217 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.031 -3.473 -4.615 1.00 0.00 H new ATOM 0 HH TYR A 21 2.243 -5.490 -5.533 1.00 0.00 H new ATOM 341 N ARG A 22 -4.043 0.925 -4.007 1.00 0.00 N ATOM 342 CA ARG A 22 -5.232 1.669 -3.483 1.00 0.00 C ATOM 343 C ARG A 22 -6.411 1.670 -4.482 1.00 0.00 C ATOM 344 O ARG A 22 -7.548 1.631 -4.067 1.00 0.00 O ATOM 345 CB ARG A 22 -4.839 3.141 -3.163 1.00 0.00 C ATOM 346 CG ARG A 22 -5.925 3.788 -2.288 1.00 0.00 C ATOM 347 CD ARG A 22 -5.567 5.273 -2.048 1.00 0.00 C ATOM 348 NE ARG A 22 -6.182 5.720 -0.766 1.00 0.00 N ATOM 349 CZ ARG A 22 -5.805 6.855 -0.232 1.00 0.00 C ATOM 350 NH1 ARG A 22 -4.894 7.571 -0.838 1.00 0.00 N ATOM 351 NH2 ARG A 22 -6.349 7.233 0.893 1.00 0.00 N ATOM 0 H ARG A 22 -3.376 1.483 -4.540 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.556 1.155 -2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.879 3.168 -2.647 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.720 3.705 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.896 3.710 -2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.003 3.262 -1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.485 5.398 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.930 5.886 -2.873 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.891 5.147 -0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.487 7.243 -1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.590 8.457 -0.435 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.054 6.648 1.340 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.069 8.114 1.325 1.00 0.00 H new ATOM 365 N PRO A 23 -6.130 1.707 -5.797 1.00 0.00 N ATOM 366 CA PRO A 23 -7.198 1.712 -6.792 1.00 0.00 C ATOM 367 C PRO A 23 -7.718 0.292 -7.042 1.00 0.00 C ATOM 368 O PRO A 23 -8.874 0.099 -7.359 1.00 0.00 O ATOM 369 CB PRO A 23 -6.522 2.265 -8.081 1.00 0.00 C ATOM 370 CG PRO A 23 -4.975 2.197 -7.842 1.00 0.00 C ATOM 371 CD PRO A 23 -4.767 1.763 -6.367 1.00 0.00 C ATOM 0 HA PRO A 23 -8.053 2.307 -6.472 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.806 1.673 -8.951 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.839 3.290 -8.275 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.510 1.485 -8.524 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.512 3.166 -8.029 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.272 0.794 -6.305 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.142 2.475 -5.829 1.00 0.00 H new ATOM 379 N LYS A 24 -6.848 -0.676 -6.892 1.00 0.00 N ATOM 380 CA LYS A 24 -7.266 -2.063 -7.115 1.00 0.00 C ATOM 381 C LYS A 24 -8.379 -2.427 -6.153 1.00 0.00 C ATOM 382 O LYS A 24 -9.455 -2.819 -6.561 1.00 0.00 O ATOM 383 CB LYS A 24 -6.054 -2.984 -6.859 1.00 0.00 C ATOM 384 CG LYS A 24 -4.788 -2.440 -7.571 1.00 0.00 C ATOM 385 CD LYS A 24 -4.957 -2.471 -9.109 1.00 0.00 C ATOM 386 CE LYS A 24 -5.204 -3.913 -9.585 1.00 0.00 C ATOM 387 NZ LYS A 24 -4.730 -4.080 -10.986 1.00 0.00 N ATOM 0 H LYS A 24 -5.872 -0.550 -6.625 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.626 -2.180 -8.137 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.869 -3.060 -5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.274 -3.990 -7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.594 -1.419 -7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.922 -3.036 -7.285 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.791 -1.835 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.065 -2.069 -9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.684 -4.614 -8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.267 -4.147 -9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.902 -5.058 -11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.245 -3.424 -11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.711 -3.876 -11.035 1.00 0.00 H new ATOM 401 N ILE A 25 -8.108 -2.291 -4.885 1.00 0.00 N ATOM 402 CA ILE A 25 -9.140 -2.622 -3.889 1.00 0.00 C ATOM 403 C ILE A 25 -10.260 -1.575 -3.946 1.00 0.00 C ATOM 404 O ILE A 25 -11.407 -1.906 -4.181 1.00 0.00 O ATOM 405 CB ILE A 25 -8.490 -2.642 -2.456 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.101 -1.976 -2.483 1.00 0.00 C ATOM 407 CG2 ILE A 25 -8.309 -4.115 -2.002 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.623 -1.686 -1.042 1.00 0.00 C ATOM 0 H ILE A 25 -7.219 -1.966 -4.506 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.562 -3.604 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.142 -2.099 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.387 -2.627 -2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.145 -1.048 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.859 -4.137 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.281 -4.608 -1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.660 -4.636 -2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.640 -1.215 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.331 -1.017 -0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.561 -2.620 -0.484 1.00 0.00 H new ATOM 420 N LYS A 26 -9.905 -0.325 -3.739 1.00 0.00 N ATOM 421 CA LYS A 26 -10.938 0.733 -3.781 1.00 0.00 C ATOM 422 C LYS A 26 -11.715 0.619 -5.076 1.00 0.00 C ATOM 423 O LYS A 26 -12.875 0.968 -5.144 1.00 0.00 O ATOM 424 CB LYS A 26 -10.247 2.114 -3.722 1.00 0.00 C ATOM 425 CG LYS A 26 -11.313 3.227 -3.554 1.00 0.00 C ATOM 426 CD LYS A 26 -11.767 3.314 -2.084 1.00 0.00 C ATOM 427 CE LYS A 26 -12.507 4.642 -1.861 1.00 0.00 C ATOM 428 NZ LYS A 26 -13.445 4.922 -2.986 1.00 0.00 N ATOM 0 H LYS A 26 -8.955 -0.007 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.616 0.622 -2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.543 2.143 -2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.672 2.283 -4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.902 4.185 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.170 3.019 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.420 2.475 -1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.905 3.248 -1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.060 4.602 -0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.786 5.455 -1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.171 5.597 -2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.917 5.327 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.902 4.037 -3.286 1.00 0.00 H new ATOM 442 N GLY A 27 -11.053 0.127 -6.089 1.00 0.00 N ATOM 443 CA GLY A 27 -11.734 -0.024 -7.390 1.00 0.00 C ATOM 444 C GLY A 27 -12.899 -0.978 -7.215 1.00 0.00 C ATOM 445 O GLY A 27 -14.031 -0.658 -7.519 1.00 0.00 O ATOM 0 H GLY A 27 -10.078 -0.172 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.087 0.943 -7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.040 -0.407 -8.139 1.00 0.00 H new ATOM 449 N GLU A 28 -12.586 -2.143 -6.729 1.00 0.00 N ATOM 450 CA GLU A 28 -13.622 -3.147 -6.510 1.00 0.00 C ATOM 451 C GLU A 28 -14.441 -2.776 -5.281 1.00 0.00 C ATOM 452 O GLU A 28 -15.411 -3.428 -4.948 1.00 0.00 O ATOM 453 CB GLU A 28 -12.924 -4.491 -6.261 1.00 0.00 C ATOM 454 CG GLU A 28 -12.383 -5.030 -7.584 1.00 0.00 C ATOM 455 CD GLU A 28 -13.550 -5.476 -8.468 1.00 0.00 C ATOM 456 OE1 GLU A 28 -14.512 -5.959 -7.892 1.00 0.00 O ATOM 457 OE2 GLU A 28 -13.413 -5.311 -9.668 1.00 0.00 O ATOM 0 H GLU A 28 -11.641 -2.432 -6.476 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.283 -3.206 -7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.111 -4.365 -5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.625 -5.203 -5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.801 -4.261 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.711 -5.868 -7.400 1.00 0.00 H new ATOM 464 N HIS A 29 -14.019 -1.717 -4.627 1.00 0.00 N ATOM 465 CA HIS A 29 -14.728 -1.244 -3.407 1.00 0.00 C ATOM 466 C HIS A 29 -14.849 0.288 -3.417 1.00 0.00 C ATOM 467 O HIS A 29 -14.218 0.962 -2.630 1.00 0.00 O ATOM 468 CB HIS A 29 -13.873 -1.642 -2.200 1.00 0.00 C ATOM 469 CG HIS A 29 -13.991 -3.147 -1.953 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.767 -3.669 -1.134 1.00 0.00 N ATOM 471 CD2 HIS A 29 -13.310 -4.200 -2.538 1.00 0.00 C ATOM 472 CE1 HIS A 29 -14.661 -4.929 -1.133 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.750 -5.365 -2.001 1.00 0.00 N ATOM 0 H HIS A 29 -13.207 -1.160 -4.894 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.726 -1.681 -3.367 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.831 -1.374 -2.377 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.198 -1.093 -1.316 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.550 -4.109 -3.300 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.245 -5.580 -0.498 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.460 -6.321 -2.207 1.00 0.00 H new ATOM 481 N PRO A 30 -15.662 0.816 -4.321 1.00 0.00 N ATOM 482 CA PRO A 30 -15.845 2.261 -4.414 1.00 0.00 C ATOM 483 C PRO A 30 -16.536 2.815 -3.153 1.00 0.00 C ATOM 484 O PRO A 30 -17.705 3.152 -3.169 1.00 0.00 O ATOM 485 CB PRO A 30 -16.730 2.470 -5.692 1.00 0.00 C ATOM 486 CG PRO A 30 -17.142 1.044 -6.201 1.00 0.00 C ATOM 487 CD PRO A 30 -16.432 0.011 -5.290 1.00 0.00 C ATOM 0 HA PRO A 30 -14.896 2.793 -4.486 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.612 3.066 -5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.176 3.009 -6.461 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.224 0.917 -6.157 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.847 0.907 -7.241 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.154 -0.630 -4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.778 -0.641 -5.869 1.00 0.00 H new ATOM 495 N GLY A 31 -15.790 2.893 -2.073 1.00 0.00 N ATOM 496 CA GLY A 31 -16.383 3.423 -0.805 1.00 0.00 C ATOM 497 C GLY A 31 -15.693 2.820 0.429 1.00 0.00 C ATOM 498 O GLY A 31 -16.347 2.469 1.391 1.00 0.00 O ATOM 0 H GLY A 31 -14.810 2.616 -2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.289 4.509 -0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.449 3.195 -0.776 1.00 0.00 H new ATOM 502 N LEU A 32 -14.388 2.704 0.381 1.00 0.00 N ATOM 503 CA LEU A 32 -13.674 2.126 1.558 1.00 0.00 C ATOM 504 C LEU A 32 -13.477 3.178 2.634 1.00 0.00 C ATOM 505 O LEU A 32 -13.499 4.365 2.370 1.00 0.00 O ATOM 506 CB LEU A 32 -12.244 1.673 1.143 1.00 0.00 C ATOM 507 CG LEU A 32 -12.235 0.368 0.336 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.760 -0.044 0.151 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.954 -0.748 1.111 1.00 0.00 C ATOM 0 H LEU A 32 -13.798 2.978 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.276 1.294 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.777 2.461 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.636 1.543 2.039 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.741 0.517 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.710 -0.971 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.227 0.742 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.299 -0.194 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.938 -1.667 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.447 -0.916 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.987 -0.454 1.298 1.00 0.00 H new ATOM 521 N SER A 33 -13.289 2.713 3.836 1.00 0.00 N ATOM 522 CA SER A 33 -13.079 3.633 4.963 1.00 0.00 C ATOM 523 C SER A 33 -11.587 3.814 5.140 1.00 0.00 C ATOM 524 O SER A 33 -10.832 2.887 4.918 1.00 0.00 O ATOM 525 CB SER A 33 -13.659 3.000 6.235 1.00 0.00 C ATOM 526 OG SER A 33 -15.057 3.219 6.124 1.00 0.00 O ATOM 0 H SER A 33 -13.273 1.722 4.079 1.00 0.00 H new ATOM 0 HA SER A 33 -13.564 4.591 4.776 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.425 1.937 6.293 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.253 3.465 7.133 1.00 0.00 H new ATOM 0 HG SER A 33 -15.511 2.839 6.905 1.00 0.00 H new ATOM 532 N ILE A 34 -11.166 4.986 5.524 1.00 0.00 N ATOM 533 CA ILE A 34 -9.715 5.201 5.707 1.00 0.00 C ATOM 534 C ILE A 34 -9.085 4.041 6.454 1.00 0.00 C ATOM 535 O ILE A 34 -7.942 3.698 6.232 1.00 0.00 O ATOM 536 CB ILE A 34 -9.517 6.487 6.512 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.454 7.616 5.971 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.044 6.922 6.359 1.00 0.00 C ATOM 539 CD1 ILE A 34 -11.747 7.680 6.814 1.00 0.00 C ATOM 0 H ILE A 34 -11.760 5.793 5.716 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.238 5.277 4.730 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.761 6.311 7.560 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.939 8.576 6.007 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.700 7.426 4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.875 7.839 6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.391 6.136 6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.824 7.099 5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.393 8.469 6.430 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.267 6.724 6.755 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.494 7.892 7.853 1.00 0.00 H new ATOM 551 N GLY A 35 -9.843 3.458 7.321 1.00 0.00 N ATOM 552 CA GLY A 35 -9.307 2.320 8.089 1.00 0.00 C ATOM 553 C GLY A 35 -9.092 1.128 7.162 1.00 0.00 C ATOM 554 O GLY A 35 -8.023 0.583 7.103 1.00 0.00 O ATOM 0 H GLY A 35 -10.807 3.718 7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.365 2.599 8.562 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.998 2.051 8.888 1.00 0.00 H new ATOM 558 N ASP A 36 -10.115 0.781 6.424 1.00 0.00 N ATOM 559 CA ASP A 36 -10.003 -0.367 5.496 1.00 0.00 C ATOM 560 C ASP A 36 -8.922 -0.159 4.463 1.00 0.00 C ATOM 561 O ASP A 36 -8.145 -1.041 4.184 1.00 0.00 O ATOM 562 CB ASP A 36 -11.356 -0.510 4.759 1.00 0.00 C ATOM 563 CG ASP A 36 -11.595 -1.977 4.384 1.00 0.00 C ATOM 564 OD1 ASP A 36 -11.163 -2.336 3.303 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.195 -2.653 5.203 1.00 0.00 O ATOM 0 H ASP A 36 -11.022 1.248 6.429 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.750 -1.256 6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.166 -0.152 5.395 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.358 0.109 3.862 1.00 0.00 H new ATOM 570 N VAL A 37 -8.898 0.998 3.915 1.00 0.00 N ATOM 571 CA VAL A 37 -7.885 1.278 2.902 1.00 0.00 C ATOM 572 C VAL A 37 -6.513 1.022 3.452 1.00 0.00 C ATOM 573 O VAL A 37 -5.798 0.173 2.986 1.00 0.00 O ATOM 574 CB VAL A 37 -7.994 2.765 2.524 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.909 3.098 1.518 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.365 3.036 1.906 1.00 0.00 C ATOM 0 H VAL A 37 -9.538 1.764 4.125 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.044 0.636 2.036 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.874 3.382 3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.978 4.151 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.932 2.901 1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.037 2.482 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.442 4.090 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.488 2.425 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.144 2.787 2.626 1.00 0.00 H new ATOM 586 N ALA A 38 -6.187 1.746 4.444 1.00 0.00 N ATOM 587 CA ALA A 38 -4.875 1.583 5.052 1.00 0.00 C ATOM 588 C ALA A 38 -4.680 0.189 5.677 1.00 0.00 C ATOM 589 O ALA A 38 -3.571 -0.305 5.723 1.00 0.00 O ATOM 590 CB ALA A 38 -4.737 2.665 6.105 1.00 0.00 C ATOM 0 H ALA A 38 -6.781 2.457 4.870 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.106 1.672 4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.764 2.580 6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.824 3.644 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.524 2.550 6.851 1.00 0.00 H new ATOM 596 N LYS A 39 -5.747 -0.432 6.150 1.00 0.00 N ATOM 597 CA LYS A 39 -5.568 -1.784 6.755 1.00 0.00 C ATOM 598 C LYS A 39 -5.292 -2.792 5.660 1.00 0.00 C ATOM 599 O LYS A 39 -4.330 -3.526 5.713 1.00 0.00 O ATOM 600 CB LYS A 39 -6.864 -2.200 7.537 1.00 0.00 C ATOM 601 CG LYS A 39 -6.688 -1.888 9.043 1.00 0.00 C ATOM 602 CD LYS A 39 -6.626 -0.354 9.264 1.00 0.00 C ATOM 603 CE LYS A 39 -5.811 -0.031 10.524 1.00 0.00 C ATOM 604 NZ LYS A 39 -6.524 -0.493 11.746 1.00 0.00 N ATOM 0 H LYS A 39 -6.700 -0.068 6.141 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.728 -1.757 7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.726 -1.662 7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.060 -3.263 7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.517 -2.312 9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.776 -2.354 9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.174 0.127 8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.635 0.047 9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.834 -0.511 10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.635 1.043 10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.972 -0.235 12.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.460 -0.042 11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.639 -1.526 11.711 1.00 0.00 H new ATOM 618 N LYS A 40 -6.149 -2.809 4.686 1.00 0.00 N ATOM 619 CA LYS A 40 -5.961 -3.756 3.570 1.00 0.00 C ATOM 620 C LYS A 40 -4.556 -3.605 3.028 1.00 0.00 C ATOM 621 O LYS A 40 -3.879 -4.568 2.750 1.00 0.00 O ATOM 622 CB LYS A 40 -6.964 -3.412 2.453 1.00 0.00 C ATOM 623 CG LYS A 40 -8.398 -3.750 2.914 1.00 0.00 C ATOM 624 CD LYS A 40 -8.633 -5.277 2.862 1.00 0.00 C ATOM 625 CE LYS A 40 -10.142 -5.560 2.829 1.00 0.00 C ATOM 626 NZ LYS A 40 -10.769 -4.913 1.644 1.00 0.00 N ATOM 0 H LYS A 40 -6.970 -2.208 4.617 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.119 -4.777 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.893 -2.354 2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.722 -3.971 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.556 -3.385 3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.121 -3.242 2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.153 -5.700 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.181 -5.755 3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.315 -6.636 2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.607 -5.189 3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.580 -5.481 1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.094 -3.959 1.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.072 -4.846 0.875 1.00 0.00 H new ATOM 640 N LEU A 41 -4.147 -2.381 2.885 1.00 0.00 N ATOM 641 CA LEU A 41 -2.802 -2.130 2.373 1.00 0.00 C ATOM 642 C LEU A 41 -1.806 -2.535 3.411 1.00 0.00 C ATOM 643 O LEU A 41 -0.741 -3.032 3.108 1.00 0.00 O ATOM 644 CB LEU A 41 -2.656 -0.630 2.105 1.00 0.00 C ATOM 645 CG LEU A 41 -3.618 -0.218 0.993 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.661 1.304 0.953 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.121 -0.767 -0.363 1.00 0.00 C ATOM 0 H LEU A 41 -4.696 -1.550 3.104 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.635 -2.696 1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.868 -0.065 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.630 -0.399 1.818 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.613 -0.621 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.342 1.628 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.010 1.684 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.662 1.691 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.812 -0.469 -1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.131 -0.365 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.069 -1.855 -0.318 1.00 0.00 H new ATOM 659 N GLY A 42 -2.171 -2.306 4.630 1.00 0.00 N ATOM 660 CA GLY A 42 -1.271 -2.664 5.724 1.00 0.00 C ATOM 661 C GLY A 42 -1.126 -4.184 5.764 1.00 0.00 C ATOM 662 O GLY A 42 -0.125 -4.712 6.202 1.00 0.00 O ATOM 0 H GLY A 42 -3.057 -1.885 4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.297 -2.196 5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.665 -2.297 6.672 1.00 0.00 H new ATOM 666 N GLU A 43 -2.154 -4.854 5.297 1.00 0.00 N ATOM 667 CA GLU A 43 -2.132 -6.323 5.281 1.00 0.00 C ATOM 668 C GLU A 43 -1.273 -6.814 4.123 1.00 0.00 C ATOM 669 O GLU A 43 -0.373 -7.610 4.306 1.00 0.00 O ATOM 670 CB GLU A 43 -3.586 -6.812 5.089 1.00 0.00 C ATOM 671 CG GLU A 43 -4.297 -6.843 6.448 1.00 0.00 C ATOM 672 CD GLU A 43 -3.706 -7.963 7.307 1.00 0.00 C ATOM 673 OE1 GLU A 43 -2.994 -8.770 6.730 1.00 0.00 O ATOM 674 OE2 GLU A 43 -3.997 -7.947 8.492 1.00 0.00 O ATOM 0 H GLU A 43 -3.005 -4.430 4.928 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.715 -6.708 6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.116 -6.151 4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.591 -7.806 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.182 -5.884 6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.366 -7.003 6.308 1.00 0.00 H new ATOM 681 N MET A 44 -1.568 -6.334 2.944 1.00 0.00 N ATOM 682 CA MET A 44 -0.775 -6.764 1.776 1.00 0.00 C ATOM 683 C MET A 44 0.672 -6.363 1.973 1.00 0.00 C ATOM 684 O MET A 44 1.570 -7.155 1.789 1.00 0.00 O ATOM 685 CB MET A 44 -1.335 -6.082 0.516 1.00 0.00 C ATOM 686 CG MET A 44 -2.642 -6.770 0.124 1.00 0.00 C ATOM 687 SD MET A 44 -3.528 -6.107 -1.305 1.00 0.00 S ATOM 688 CE MET A 44 -4.316 -4.708 -0.465 1.00 0.00 C ATOM 0 H MET A 44 -2.317 -5.670 2.749 1.00 0.00 H new ATOM 0 HA MET A 44 -0.834 -7.847 1.665 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.508 -5.023 0.705 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.615 -6.146 -0.300 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.426 -7.821 -0.070 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.312 -6.736 0.983 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.881 -4.120 -1.189 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.991 -5.080 0.306 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.551 -4.081 -0.006 1.00 0.00 H new ATOM 698 N TRP A 45 0.873 -5.130 2.345 1.00 0.00 N ATOM 699 CA TRP A 45 2.254 -4.649 2.567 1.00 0.00 C ATOM 700 C TRP A 45 2.945 -5.574 3.532 1.00 0.00 C ATOM 701 O TRP A 45 3.987 -6.122 3.249 1.00 0.00 O ATOM 702 CB TRP A 45 2.147 -3.261 3.194 1.00 0.00 C ATOM 703 CG TRP A 45 3.522 -2.721 3.582 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.907 -2.537 4.833 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.417 -2.247 2.740 1.00 0.00 C ATOM 706 NE1 TRP A 45 5.082 -1.918 4.722 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.482 -1.688 3.429 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.404 -2.197 1.360 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.507 -1.083 2.750 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.440 -1.586 0.682 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.484 -1.026 1.382 1.00 0.00 C ATOM 0 H TRP A 45 0.139 -4.440 2.503 1.00 0.00 H new ATOM 0 HA TRP A 45 2.817 -4.617 1.634 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.670 -2.578 2.491 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.509 -3.306 4.077 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.389 -2.822 5.737 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.638 -1.638 5.530 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.584 -2.636 0.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.334 -0.651 3.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.431 -1.548 -0.397 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.288 -0.540 0.850 1.00 0.00 H new ATOM 722 N ASN A 46 2.346 -5.725 4.665 1.00 0.00 N ATOM 723 CA ASN A 46 2.935 -6.619 5.687 1.00 0.00 C ATOM 724 C ASN A 46 3.281 -7.969 5.050 1.00 0.00 C ATOM 725 O ASN A 46 4.289 -8.573 5.361 1.00 0.00 O ATOM 726 CB ASN A 46 1.878 -6.848 6.802 1.00 0.00 C ATOM 727 CG ASN A 46 1.980 -5.739 7.854 1.00 0.00 C ATOM 728 OD1 ASN A 46 2.350 -4.621 7.560 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.655 -6.011 9.091 1.00 0.00 N ATOM 0 H ASN A 46 1.473 -5.270 4.932 1.00 0.00 H new ATOM 0 HA ASN A 46 3.839 -6.169 6.099 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.878 -6.860 6.370 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.035 -7.820 7.270 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.713 -5.285 9.805 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.344 -6.949 9.342 1.00 0.00 H new ATOM 736 N ASN A 47 2.424 -8.406 4.161 1.00 0.00 N ATOM 737 CA ASN A 47 2.656 -9.701 3.480 1.00 0.00 C ATOM 738 C ASN A 47 3.670 -9.570 2.342 1.00 0.00 C ATOM 739 O ASN A 47 4.329 -10.529 1.985 1.00 0.00 O ATOM 740 CB ASN A 47 1.320 -10.177 2.884 1.00 0.00 C ATOM 741 CG ASN A 47 0.296 -10.375 4.004 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.609 -10.866 5.071 1.00 0.00 O ATOM 743 ND2 ASN A 47 -0.942 -10.009 3.800 1.00 0.00 N ATOM 0 H ASN A 47 1.574 -7.915 3.882 1.00 0.00 H new ATOM 0 HA ASN A 47 3.050 -10.408 4.210 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.950 -9.445 2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.465 -11.111 2.342 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.639 -10.136 4.534 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.211 -9.596 2.907 1.00 0.00 H new ATOM 750 N THR A 48 3.783 -8.388 1.791 1.00 0.00 N ATOM 751 CA THR A 48 4.750 -8.198 0.680 1.00 0.00 C ATOM 752 C THR A 48 6.150 -8.618 1.108 1.00 0.00 C ATOM 753 O THR A 48 6.704 -8.088 2.048 1.00 0.00 O ATOM 754 CB THR A 48 4.763 -6.711 0.282 1.00 0.00 C ATOM 755 OG1 THR A 48 3.492 -6.468 -0.288 1.00 0.00 O ATOM 756 CG2 THR A 48 5.749 -6.462 -0.866 1.00 0.00 C ATOM 0 H THR A 48 3.253 -7.559 2.061 1.00 0.00 H new ATOM 0 HA THR A 48 4.447 -8.815 -0.166 1.00 0.00 H new ATOM 0 HB THR A 48 5.019 -6.099 1.147 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.798 -6.606 0.390 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.741 -5.404 -1.130 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.752 -6.750 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.456 -7.054 -1.733 1.00 0.00 H new ATOM 764 N ALA A 49 6.696 -9.568 0.398 1.00 0.00 N ATOM 765 CA ALA A 49 8.057 -10.050 0.734 1.00 0.00 C ATOM 766 C ALA A 49 9.021 -8.889 0.952 1.00 0.00 C ATOM 767 O ALA A 49 8.917 -7.862 0.314 1.00 0.00 O ATOM 768 CB ALA A 49 8.568 -10.900 -0.439 1.00 0.00 C ATOM 0 H ALA A 49 6.255 -10.028 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 49 8.006 -10.630 1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.570 -11.266 -0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.899 -11.746 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.599 -10.292 -1.343 1.00 0.00 H new ATOM 774 N ALA A 50 9.945 -9.074 1.856 1.00 0.00 N ATOM 775 CA ALA A 50 10.919 -8.000 2.128 1.00 0.00 C ATOM 776 C ALA A 50 11.679 -7.641 0.861 1.00 0.00 C ATOM 777 O ALA A 50 11.880 -6.481 0.559 1.00 0.00 O ATOM 778 CB ALA A 50 11.919 -8.505 3.180 1.00 0.00 C ATOM 0 H ALA A 50 10.060 -9.922 2.411 1.00 0.00 H new ATOM 0 HA ALA A 50 10.391 -7.116 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.648 -7.723 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.385 -8.764 4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.434 -9.387 2.799 1.00 0.00 H new ATOM 784 N ASP A 51 12.093 -8.647 0.143 1.00 0.00 N ATOM 785 CA ASP A 51 12.838 -8.394 -1.101 1.00 0.00 C ATOM 786 C ASP A 51 11.988 -7.592 -2.081 1.00 0.00 C ATOM 787 O ASP A 51 12.501 -6.941 -2.967 1.00 0.00 O ATOM 788 CB ASP A 51 13.179 -9.752 -1.734 1.00 0.00 C ATOM 789 CG ASP A 51 14.028 -10.573 -0.756 1.00 0.00 C ATOM 790 OD1 ASP A 51 14.353 -10.018 0.281 1.00 0.00 O ATOM 791 OD2 ASP A 51 14.302 -11.710 -1.104 1.00 0.00 O ATOM 0 H ASP A 51 11.943 -9.630 0.371 1.00 0.00 H new ATOM 0 HA ASP A 51 13.741 -7.826 -0.876 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.264 -10.291 -1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.722 -9.604 -2.668 1.00 0.00 H new ATOM 796 N ASP A 52 10.695 -7.659 -1.898 1.00 0.00 N ATOM 797 CA ASP A 52 9.774 -6.914 -2.800 1.00 0.00 C ATOM 798 C ASP A 52 9.535 -5.496 -2.284 1.00 0.00 C ATOM 799 O ASP A 52 9.051 -4.646 -3.000 1.00 0.00 O ATOM 800 CB ASP A 52 8.443 -7.669 -2.829 1.00 0.00 C ATOM 801 CG ASP A 52 7.481 -6.980 -3.802 1.00 0.00 C ATOM 802 OD1 ASP A 52 7.953 -6.099 -4.498 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.329 -7.379 -3.797 1.00 0.00 O ATOM 0 H ASP A 52 10.239 -8.198 -1.162 1.00 0.00 H new ATOM 0 HA ASP A 52 10.213 -6.843 -3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.606 -8.702 -3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.008 -7.697 -1.830 1.00 0.00 H new ATOM 808 N LYS A 53 9.861 -5.276 -1.036 1.00 0.00 N ATOM 809 CA LYS A 53 9.665 -3.919 -0.450 1.00 0.00 C ATOM 810 C LYS A 53 10.833 -3.013 -0.834 1.00 0.00 C ATOM 811 O LYS A 53 10.760 -1.806 -0.719 1.00 0.00 O ATOM 812 CB LYS A 53 9.652 -4.051 1.090 1.00 0.00 C ATOM 813 CG LYS A 53 8.308 -4.629 1.569 1.00 0.00 C ATOM 814 CD LYS A 53 8.129 -4.308 3.068 1.00 0.00 C ATOM 815 CE LYS A 53 7.029 -5.200 3.668 1.00 0.00 C ATOM 816 NZ LYS A 53 7.599 -6.515 4.082 1.00 0.00 N ATOM 0 H LYS A 53 10.252 -5.973 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 53 8.731 -3.496 -0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.468 -4.697 1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.818 -3.075 1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.488 -4.202 0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.283 -5.707 1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.068 -4.468 3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.867 -3.258 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.578 -4.704 4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.236 -5.354 2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.464 -7.208 3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.615 -6.407 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.116 -6.848 4.941 1.00 0.00 H new ATOM 830 N GLN A 54 11.885 -3.628 -1.282 1.00 0.00 N ATOM 831 CA GLN A 54 13.089 -2.869 -1.689 1.00 0.00 C ATOM 832 C GLN A 54 12.775 -1.658 -2.626 1.00 0.00 C ATOM 833 O GLN A 54 13.107 -0.551 -2.309 1.00 0.00 O ATOM 834 CB GLN A 54 14.044 -3.870 -2.404 1.00 0.00 C ATOM 835 CG GLN A 54 15.197 -4.268 -1.466 1.00 0.00 C ATOM 836 CD GLN A 54 15.936 -5.474 -2.053 1.00 0.00 C ATOM 837 OE1 GLN A 54 17.149 -5.536 -2.045 1.00 0.00 O ATOM 838 NE2 GLN A 54 15.243 -6.454 -2.571 1.00 0.00 N ATOM 0 H GLN A 54 11.961 -4.640 -1.384 1.00 0.00 H new ATOM 0 HA GLN A 54 13.545 -2.436 -0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.490 -4.758 -2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.444 -3.417 -3.311 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.885 -3.431 -1.341 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.809 -4.511 -0.477 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.224 -6.408 -2.581 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.721 -7.264 -2.965 1.00 0.00 H new ATOM 847 N PRO A 55 12.150 -1.885 -3.765 1.00 0.00 N ATOM 848 CA PRO A 55 11.843 -0.779 -4.666 1.00 0.00 C ATOM 849 C PRO A 55 11.236 0.409 -3.936 1.00 0.00 C ATOM 850 O PRO A 55 11.604 1.539 -4.169 1.00 0.00 O ATOM 851 CB PRO A 55 10.818 -1.368 -5.679 1.00 0.00 C ATOM 852 CG PRO A 55 10.778 -2.915 -5.444 1.00 0.00 C ATOM 853 CD PRO A 55 11.677 -3.208 -4.214 1.00 0.00 C ATOM 0 HA PRO A 55 12.747 -0.400 -5.143 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.832 -0.930 -5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.114 -1.141 -6.703 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.757 -3.252 -5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.140 -3.448 -6.323 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.118 -3.715 -3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.512 -3.856 -4.480 1.00 0.00 H new ATOM 861 N TYR A 56 10.333 0.127 -3.072 1.00 0.00 N ATOM 862 CA TYR A 56 9.680 1.221 -2.315 1.00 0.00 C ATOM 863 C TYR A 56 10.614 1.892 -1.310 1.00 0.00 C ATOM 864 O TYR A 56 10.738 3.100 -1.304 1.00 0.00 O ATOM 865 CB TYR A 56 8.498 0.634 -1.565 1.00 0.00 C ATOM 866 CG TYR A 56 7.447 0.168 -2.566 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.690 1.087 -3.236 1.00 0.00 C ATOM 868 CD2 TYR A 56 7.204 -1.171 -2.759 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.674 0.685 -4.085 1.00 0.00 C ATOM 870 CE2 TYR A 56 6.194 -1.584 -3.611 1.00 0.00 C ATOM 871 CZ TYR A 56 5.422 -0.655 -4.280 1.00 0.00 C ATOM 872 OH TYR A 56 4.408 -1.062 -5.124 1.00 0.00 O ATOM 0 H TYR A 56 10.010 -0.814 -2.848 1.00 0.00 H new ATOM 0 HA TYR A 56 9.375 1.985 -3.030 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.824 -0.202 -0.947 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.072 1.380 -0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.887 2.140 -3.101 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.805 -1.905 -2.243 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.076 1.425 -4.597 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.009 -2.638 -3.753 1.00 0.00 H new ATOM 0 HH TYR A 56 4.372 -2.041 -5.144 1.00 0.00 H new ATOM 882 N GLU A 57 11.257 1.118 -0.478 1.00 0.00 N ATOM 883 CA GLU A 57 12.168 1.743 0.511 1.00 0.00 C ATOM 884 C GLU A 57 13.314 2.410 -0.210 1.00 0.00 C ATOM 885 O GLU A 57 13.856 3.404 0.228 1.00 0.00 O ATOM 886 CB GLU A 57 12.678 0.632 1.465 1.00 0.00 C ATOM 887 CG GLU A 57 13.893 -0.109 0.880 1.00 0.00 C ATOM 888 CD GLU A 57 15.172 0.688 1.154 1.00 0.00 C ATOM 889 OE1 GLU A 57 15.358 1.029 2.311 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.893 0.905 0.194 1.00 0.00 O ATOM 0 H GLU A 57 11.191 0.101 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 57 11.649 2.506 1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.948 1.073 2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.875 -0.080 1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.971 -1.102 1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.763 -0.247 -0.193 1.00 0.00 H new ATOM 897 N LYS A 58 13.646 1.833 -1.297 1.00 0.00 N ATOM 898 CA LYS A 58 14.744 2.361 -2.118 1.00 0.00 C ATOM 899 C LYS A 58 14.334 3.671 -2.781 1.00 0.00 C ATOM 900 O LYS A 58 15.079 4.632 -2.773 1.00 0.00 O ATOM 901 CB LYS A 58 15.076 1.318 -3.210 1.00 0.00 C ATOM 902 CG LYS A 58 16.356 1.738 -3.969 1.00 0.00 C ATOM 903 CD LYS A 58 17.601 1.391 -3.136 1.00 0.00 C ATOM 904 CE LYS A 58 18.844 1.517 -4.024 1.00 0.00 C ATOM 905 NZ LYS A 58 18.764 2.745 -4.867 1.00 0.00 N ATOM 0 H LYS A 58 13.196 0.996 -1.668 1.00 0.00 H new ATOM 0 HA LYS A 58 15.612 2.550 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.217 0.337 -2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.242 1.230 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.400 1.230 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.332 2.808 -4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.680 2.061 -2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.520 0.378 -2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.739 1.553 -3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.933 0.637 -4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.716 3.002 -5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.150 2.564 -5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.370 3.526 -4.305 1.00 0.00 H new ATOM 919 N LYS A 59 13.156 3.690 -3.346 1.00 0.00 N ATOM 920 CA LYS A 59 12.696 4.922 -4.005 1.00 0.00 C ATOM 921 C LYS A 59 12.697 6.065 -3.017 1.00 0.00 C ATOM 922 O LYS A 59 13.246 7.120 -3.270 1.00 0.00 O ATOM 923 CB LYS A 59 11.256 4.690 -4.517 1.00 0.00 C ATOM 924 CG LYS A 59 10.933 5.717 -5.610 1.00 0.00 C ATOM 925 CD LYS A 59 9.561 5.387 -6.224 1.00 0.00 C ATOM 926 CE LYS A 59 9.296 6.301 -7.443 1.00 0.00 C ATOM 927 NZ LYS A 59 9.829 5.678 -8.690 1.00 0.00 N ATOM 0 H LYS A 59 12.504 2.906 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 59 13.360 5.170 -4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.157 3.679 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.546 4.782 -3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.924 6.723 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.703 5.700 -6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.532 4.341 -6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.777 5.523 -5.479 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.225 6.477 -7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.765 7.272 -7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.642 6.305 -9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.854 5.532 -8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.362 4.762 -8.847 1.00 0.00 H new ATOM 941 N ALA A 60 12.079 5.832 -1.906 1.00 0.00 N ATOM 942 CA ALA A 60 12.025 6.881 -0.879 1.00 0.00 C ATOM 943 C ALA A 60 13.429 7.279 -0.437 1.00 0.00 C ATOM 944 O ALA A 60 13.690 8.431 -0.171 1.00 0.00 O ATOM 945 CB ALA A 60 11.249 6.335 0.335 1.00 0.00 C ATOM 0 H ALA A 60 11.609 4.959 -1.667 1.00 0.00 H new ATOM 0 HA ALA A 60 11.531 7.760 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.198 7.101 1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.239 6.062 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.759 5.456 0.728 1.00 0.00 H new