USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 266 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 217 SER OG : rot 180:sc= 0 USER MOD Single : A 218 LYS NZ :NH3+ 163:sc= -0.0218 (180deg=-0.405) USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 228 MET CE :methyl 139:sc= -0.239 (180deg=-1.4!) USER MOD Single : A 235 LYS NZ :NH3+ 158:sc= -0.0948 (180deg=-0.548) USER MOD Single : A 236 SER OG : rot -35:sc= 0.785 USER MOD Single : A 237 LYS NZ :NH3+ 133:sc= -0.0273 (180deg=-0.461) USER MOD Single : A 240 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.088) USER MOD Single : A 242 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 243 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.49) USER MOD Single : A 246 GLN : amide:sc= -0.938 K(o=-0.94,f=0) USER MOD Single : A 247 SER OG : rot -31:sc= 0.0642 USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 217 11.138 7.059 7.453 1.00 0.00 N ATOM 176 CA SER A 217 11.383 7.380 8.854 1.00 0.00 C ATOM 177 C SER A 217 11.163 6.149 9.726 1.00 0.00 C ATOM 178 O SER A 217 11.905 5.911 10.680 1.00 0.00 O ATOM 179 CB SER A 217 10.448 8.502 9.305 1.00 0.00 C ATOM 180 OG SER A 217 10.747 8.852 10.650 1.00 0.00 O ATOM 0 HA SER A 217 12.417 7.709 8.959 1.00 0.00 H new ATOM 0 HB2 SER A 217 10.565 9.371 8.657 1.00 0.00 H new ATOM 0 HB3 SER A 217 9.410 8.180 9.223 1.00 0.00 H new ATOM 0 HG SER A 217 10.150 9.572 10.941 1.00 0.00 H new ATOM 186 N LYS A 218 10.142 5.368 9.390 1.00 0.00 N ATOM 187 CA LYS A 218 9.835 4.159 10.147 1.00 0.00 C ATOM 188 C LYS A 218 10.992 3.168 10.073 1.00 0.00 C ATOM 189 O LYS A 218 11.331 2.519 11.062 1.00 0.00 O ATOM 190 CB LYS A 218 8.566 3.507 9.596 1.00 0.00 C ATOM 191 CG LYS A 218 7.357 4.386 9.920 1.00 0.00 C ATOM 192 CD LYS A 218 6.088 3.736 9.368 1.00 0.00 C ATOM 193 CE LYS A 218 4.868 4.559 9.785 1.00 0.00 C ATOM 194 NZ LYS A 218 4.956 5.919 9.182 1.00 0.00 N ATOM 0 H LYS A 218 9.517 5.548 8.604 1.00 0.00 H new ATOM 0 HA LYS A 218 9.679 4.437 11.189 1.00 0.00 H new ATOM 0 HB2 LYS A 218 8.652 3.373 8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 218 8.435 2.516 10.031 1.00 0.00 H new ATOM 0 HG2 LYS A 218 7.270 4.519 10.998 1.00 0.00 H new ATOM 0 HG3 LYS A 218 7.488 5.377 9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 218 6.143 3.673 8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 218 5.997 2.716 9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 218 3.953 4.064 9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 218 4.820 4.634 10.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 4.022 6.375 9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 5.640 6.492 9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 5.267 5.841 8.193 1.00 0.00 H new ATOM 208 N ASP A 219 11.597 3.054 8.895 1.00 0.00 N ATOM 209 CA ASP A 219 12.715 2.136 8.708 1.00 0.00 C ATOM 210 C ASP A 219 13.896 2.554 9.578 1.00 0.00 C ATOM 211 O ASP A 219 14.609 1.710 10.120 1.00 0.00 O ATOM 212 CB ASP A 219 13.143 2.122 7.239 1.00 0.00 C ATOM 213 CG ASP A 219 14.215 1.061 7.017 1.00 0.00 C ATOM 214 OD1 ASP A 219 14.678 0.500 7.996 1.00 0.00 O ATOM 215 OD2 ASP A 219 14.556 0.822 5.870 1.00 0.00 O ATOM 0 H ASP A 219 11.335 3.581 8.062 1.00 0.00 H new ATOM 0 HA ASP A 219 12.394 1.136 9.000 1.00 0.00 H new ATOM 0 HB2 ASP A 219 12.282 1.919 6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 219 13.525 3.102 6.954 1.00 0.00 H new ATOM 220 N GLU A 220 14.095 3.861 9.707 1.00 0.00 N ATOM 221 CA GLU A 220 15.195 4.382 10.512 1.00 0.00 C ATOM 222 C GLU A 220 15.017 3.994 11.977 1.00 0.00 C ATOM 223 O GLU A 220 15.979 3.631 12.653 1.00 0.00 O ATOM 224 CB GLU A 220 15.257 5.905 10.389 1.00 0.00 C ATOM 225 CG GLU A 220 16.472 6.432 11.156 1.00 0.00 C ATOM 226 CD GLU A 220 16.594 7.941 10.969 1.00 0.00 C ATOM 227 OE1 GLU A 220 15.653 8.534 10.466 1.00 0.00 O ATOM 228 OE2 GLU A 220 17.626 8.481 11.330 1.00 0.00 O ATOM 0 H GLU A 220 13.514 4.575 9.268 1.00 0.00 H new ATOM 0 HA GLU A 220 16.126 3.951 10.144 1.00 0.00 H new ATOM 0 HB2 GLU A 220 15.323 6.193 9.340 1.00 0.00 H new ATOM 0 HB3 GLU A 220 14.344 6.350 10.784 1.00 0.00 H new ATOM 0 HG2 GLU A 220 16.374 6.196 12.216 1.00 0.00 H new ATOM 0 HG3 GLU A 220 17.377 5.939 10.802 1.00 0.00 H new ATOM 235 N ILE A 221 13.781 4.075 12.458 1.00 0.00 N ATOM 236 CA ILE A 221 13.489 3.729 13.843 1.00 0.00 C ATOM 237 C ILE A 221 13.778 2.253 14.100 1.00 0.00 C ATOM 238 O ILE A 221 14.358 1.898 15.123 1.00 0.00 O ATOM 239 CB ILE A 221 12.020 4.029 14.157 1.00 0.00 C ATOM 240 CG1 ILE A 221 11.795 5.543 14.137 1.00 0.00 C ATOM 241 CG2 ILE A 221 11.668 3.481 15.544 1.00 0.00 C ATOM 242 CD1 ILE A 221 10.293 5.834 14.177 1.00 0.00 C ATOM 0 H ILE A 221 12.972 4.375 11.914 1.00 0.00 H new ATOM 0 HA ILE A 221 14.128 4.329 14.491 1.00 0.00 H new ATOM 0 HB ILE A 221 11.386 3.554 13.408 1.00 0.00 H new ATOM 0 HG12 ILE A 221 12.289 6.007 14.991 1.00 0.00 H new ATOM 0 HG13 ILE A 221 12.237 5.976 13.239 1.00 0.00 H new ATOM 0 HG21 ILE A 221 10.623 3.696 15.765 1.00 0.00 H new ATOM 0 HG22 ILE A 221 11.829 2.403 15.561 1.00 0.00 H new ATOM 0 HG23 ILE A 221 12.302 3.954 16.294 1.00 0.00 H new ATOM 0 HD11 ILE A 221 10.131 6.912 14.163 1.00 0.00 H new ATOM 0 HD12 ILE A 221 9.812 5.383 13.309 1.00 0.00 H new ATOM 0 HD13 ILE A 221 9.865 5.415 15.088 1.00 0.00 H new ATOM 254 N LYS A 222 13.366 1.405 13.169 1.00 0.00 N ATOM 255 CA LYS A 222 13.581 -0.030 13.303 1.00 0.00 C ATOM 256 C LYS A 222 15.070 -0.344 13.373 1.00 0.00 C ATOM 257 O LYS A 222 15.492 -1.241 14.101 1.00 0.00 O ATOM 258 CB LYS A 222 12.959 -0.764 12.116 1.00 0.00 C ATOM 259 CG LYS A 222 11.434 -0.681 12.202 1.00 0.00 C ATOM 260 CD LYS A 222 10.815 -1.282 10.937 1.00 0.00 C ATOM 261 CE LYS A 222 10.944 -2.808 10.974 1.00 0.00 C ATOM 262 NZ LYS A 222 10.031 -3.407 9.964 1.00 0.00 N ATOM 0 H LYS A 222 12.883 1.683 12.315 1.00 0.00 H new ATOM 0 HA LYS A 222 13.107 -0.364 14.226 1.00 0.00 H new ATOM 0 HB2 LYS A 222 13.305 -0.323 11.181 1.00 0.00 H new ATOM 0 HB3 LYS A 222 13.277 -1.807 12.113 1.00 0.00 H new ATOM 0 HG2 LYS A 222 11.080 -1.217 13.082 1.00 0.00 H new ATOM 0 HG3 LYS A 222 11.122 0.357 12.314 1.00 0.00 H new ATOM 0 HD2 LYS A 222 9.765 -0.998 10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 222 11.315 -0.886 10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 222 11.973 -3.102 10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 222 10.698 -3.181 11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 222 10.118 -4.443 9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 222 9.050 -3.137 10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 222 10.286 -3.061 9.017 1.00 0.00 H new ATOM 276 N ARG A 223 15.863 0.400 12.607 1.00 0.00 N ATOM 277 CA ARG A 223 17.305 0.186 12.586 1.00 0.00 C ATOM 278 C ARG A 223 17.896 0.384 13.976 1.00 0.00 C ATOM 279 O ARG A 223 18.765 -0.377 14.404 1.00 0.00 O ATOM 280 CB ARG A 223 17.962 1.159 11.601 1.00 0.00 C ATOM 281 CG ARG A 223 19.464 0.876 11.529 1.00 0.00 C ATOM 282 CD ARG A 223 20.106 1.790 10.484 1.00 0.00 C ATOM 283 NE ARG A 223 19.626 1.444 9.152 1.00 0.00 N ATOM 284 CZ ARG A 223 20.024 0.330 8.546 1.00 0.00 C ATOM 285 NH1 ARG A 223 20.858 -0.477 9.145 1.00 0.00 N ATOM 286 NH2 ARG A 223 19.581 0.040 7.353 1.00 0.00 N ATOM 0 H ARG A 223 15.535 1.150 11.998 1.00 0.00 H new ATOM 0 HA ARG A 223 17.499 -0.838 12.267 1.00 0.00 H new ATOM 0 HB2 ARG A 223 17.513 1.052 10.613 1.00 0.00 H new ATOM 0 HB3 ARG A 223 17.790 2.187 11.919 1.00 0.00 H new ATOM 0 HG2 ARG A 223 19.923 1.042 12.504 1.00 0.00 H new ATOM 0 HG3 ARG A 223 19.636 -0.168 11.269 1.00 0.00 H new ATOM 0 HD2 ARG A 223 19.869 2.831 10.705 1.00 0.00 H new ATOM 0 HD3 ARG A 223 21.191 1.695 10.524 1.00 0.00 H new ATOM 0 HE ARG A 223 18.973 2.067 8.677 1.00 0.00 H new ATOM 0 HH11 ARG A 223 21.204 -0.252 10.078 1.00 0.00 H new ATOM 0 HH12 ARG A 223 21.163 -1.332 8.680 1.00 0.00 H new ATOM 0 HH21 ARG A 223 18.929 0.669 6.885 1.00 0.00 H new ATOM 0 HH22 ARG A 223 19.887 -0.815 6.889 1.00 0.00 H new ATOM 300 N GLU A 224 17.427 1.411 14.671 1.00 0.00 N ATOM 301 CA GLU A 224 17.919 1.707 16.010 1.00 0.00 C ATOM 302 C GLU A 224 17.829 0.474 16.904 1.00 0.00 C ATOM 303 O GLU A 224 18.783 0.133 17.602 1.00 0.00 O ATOM 304 CB GLU A 224 17.098 2.844 16.623 1.00 0.00 C ATOM 305 CG GLU A 224 17.279 4.113 15.791 1.00 0.00 C ATOM 306 CD GLU A 224 18.705 4.637 15.944 1.00 0.00 C ATOM 307 OE1 GLU A 224 19.418 4.125 16.790 1.00 0.00 O ATOM 308 OE2 GLU A 224 19.062 5.544 15.210 1.00 0.00 O ATOM 0 H GLU A 224 16.709 2.051 14.332 1.00 0.00 H new ATOM 0 HA GLU A 224 18.964 2.008 15.934 1.00 0.00 H new ATOM 0 HB2 GLU A 224 16.044 2.567 16.658 1.00 0.00 H new ATOM 0 HB3 GLU A 224 17.415 3.022 17.650 1.00 0.00 H new ATOM 0 HG2 GLU A 224 17.070 3.903 14.742 1.00 0.00 H new ATOM 0 HG3 GLU A 224 16.567 4.873 16.112 1.00 0.00 H new ATOM 315 N TYR A 225 16.680 -0.194 16.873 1.00 0.00 N ATOM 316 CA TYR A 225 16.484 -1.391 17.684 1.00 0.00 C ATOM 317 C TYR A 225 17.431 -2.503 17.243 1.00 0.00 C ATOM 318 O TYR A 225 17.954 -3.250 18.070 1.00 0.00 O ATOM 319 CB TYR A 225 15.037 -1.872 17.566 1.00 0.00 C ATOM 320 CG TYR A 225 14.124 -0.907 18.283 1.00 0.00 C ATOM 321 CD1 TYR A 225 13.942 -1.015 19.667 1.00 0.00 C ATOM 322 CD2 TYR A 225 13.465 0.097 17.566 1.00 0.00 C ATOM 323 CE1 TYR A 225 13.095 -0.121 20.332 1.00 0.00 C ATOM 324 CE2 TYR A 225 12.617 0.991 18.232 1.00 0.00 C ATOM 325 CZ TYR A 225 12.434 0.883 19.615 1.00 0.00 C ATOM 326 OH TYR A 225 11.600 1.765 20.270 1.00 0.00 O ATOM 0 H TYR A 225 15.878 0.070 16.301 1.00 0.00 H new ATOM 0 HA TYR A 225 16.699 -1.140 18.723 1.00 0.00 H new ATOM 0 HB2 TYR A 225 14.752 -1.947 16.517 1.00 0.00 H new ATOM 0 HB3 TYR A 225 14.938 -2.869 17.995 1.00 0.00 H new ATOM 0 HD1 TYR A 225 14.455 -1.787 20.221 1.00 0.00 H new ATOM 0 HD2 TYR A 225 13.610 0.183 16.499 1.00 0.00 H new ATOM 0 HE1 TYR A 225 12.951 -0.206 21.399 1.00 0.00 H new ATOM 0 HE2 TYR A 225 12.104 1.764 17.678 1.00 0.00 H new ATOM 0 HH TYR A 225 11.222 2.399 19.625 1.00 0.00 H new ATOM 336 N LYS A 226 17.643 -2.612 15.937 1.00 0.00 N ATOM 337 CA LYS A 226 18.526 -3.642 15.401 1.00 0.00 C ATOM 338 C LYS A 226 19.955 -3.417 15.880 1.00 0.00 C ATOM 339 O LYS A 226 20.698 -4.370 16.116 1.00 0.00 O ATOM 340 CB LYS A 226 18.488 -3.621 13.874 1.00 0.00 C ATOM 341 CG LYS A 226 19.302 -4.797 13.326 1.00 0.00 C ATOM 342 CD LYS A 226 19.310 -4.747 11.796 1.00 0.00 C ATOM 343 CE LYS A 226 17.957 -5.218 11.256 1.00 0.00 C ATOM 344 NZ LYS A 226 18.061 -5.447 9.790 1.00 0.00 N ATOM 0 H LYS A 226 17.220 -2.006 15.234 1.00 0.00 H new ATOM 0 HA LYS A 226 18.182 -4.613 15.757 1.00 0.00 H new ATOM 0 HB2 LYS A 226 17.457 -3.684 13.524 1.00 0.00 H new ATOM 0 HB3 LYS A 226 18.894 -2.680 13.503 1.00 0.00 H new ATOM 0 HG2 LYS A 226 20.322 -4.755 13.707 1.00 0.00 H new ATOM 0 HG3 LYS A 226 18.873 -5.739 13.667 1.00 0.00 H new ATOM 0 HD2 LYS A 226 19.514 -3.731 11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 226 20.108 -5.379 11.406 1.00 0.00 H new ATOM 0 HE2 LYS A 226 17.653 -6.137 11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 226 17.190 -4.472 11.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 17.142 -5.767 9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 18.333 -4.561 9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 18.781 -6.174 9.602 1.00 0.00 H new ATOM 358 N GLU A 227 20.337 -2.153 16.012 1.00 0.00 N ATOM 359 CA GLU A 227 21.683 -1.816 16.456 1.00 0.00 C ATOM 360 C GLU A 227 21.943 -2.389 17.846 1.00 0.00 C ATOM 361 O GLU A 227 23.062 -2.788 18.163 1.00 0.00 O ATOM 362 CB GLU A 227 21.860 -0.296 16.486 1.00 0.00 C ATOM 363 CG GLU A 227 23.304 0.044 16.860 1.00 0.00 C ATOM 364 CD GLU A 227 23.506 1.554 16.838 1.00 0.00 C ATOM 365 OE1 GLU A 227 22.664 2.237 16.276 1.00 0.00 O ATOM 366 OE2 GLU A 227 24.498 2.008 17.384 1.00 0.00 O ATOM 0 H GLU A 227 19.739 -1.350 15.819 1.00 0.00 H new ATOM 0 HA GLU A 227 22.397 -2.248 15.755 1.00 0.00 H new ATOM 0 HB2 GLU A 227 21.616 0.128 15.512 1.00 0.00 H new ATOM 0 HB3 GLU A 227 21.173 0.146 17.207 1.00 0.00 H new ATOM 0 HG2 GLU A 227 23.534 -0.348 17.851 1.00 0.00 H new ATOM 0 HG3 GLU A 227 23.991 -0.433 16.162 1.00 0.00 H new ATOM 373 N MET A 228 20.901 -2.422 18.670 1.00 0.00 N ATOM 374 CA MET A 228 21.029 -2.944 20.023 1.00 0.00 C ATOM 375 C MET A 228 21.375 -4.429 19.991 1.00 0.00 C ATOM 376 O MET A 228 22.144 -4.916 20.821 1.00 0.00 O ATOM 377 CB MET A 228 19.721 -2.736 20.789 1.00 0.00 C ATOM 378 CG MET A 228 19.489 -1.239 21.002 1.00 0.00 C ATOM 379 SD MET A 228 17.913 -0.993 21.858 1.00 0.00 S ATOM 380 CE MET A 228 18.378 -1.782 23.420 1.00 0.00 C ATOM 0 H MET A 228 19.966 -2.096 18.426 1.00 0.00 H new ATOM 0 HA MET A 228 21.832 -2.407 20.527 1.00 0.00 H new ATOM 0 HB2 MET A 228 18.889 -3.169 20.234 1.00 0.00 H new ATOM 0 HB3 MET A 228 19.764 -3.249 21.750 1.00 0.00 H new ATOM 0 HG2 MET A 228 20.304 -0.813 21.587 1.00 0.00 H new ATOM 0 HG3 MET A 228 19.480 -0.721 20.043 1.00 0.00 H new ATOM 0 HE1 MET A 228 17.986 -1.199 24.253 1.00 0.00 H new ATOM 0 HE2 MET A 228 17.964 -2.790 23.456 1.00 0.00 H new ATOM 0 HE3 MET A 228 19.464 -1.833 23.493 1.00 0.00 H new ATOM 390 N GLU A 229 20.800 -5.145 19.031 1.00 0.00 N ATOM 391 CA GLU A 229 21.054 -6.576 18.902 1.00 0.00 C ATOM 392 C GLU A 229 22.503 -6.827 18.499 1.00 0.00 C ATOM 393 O GLU A 229 23.043 -7.909 18.727 1.00 0.00 O ATOM 394 CB GLU A 229 20.121 -7.177 17.848 1.00 0.00 C ATOM 395 CG GLU A 229 18.678 -7.114 18.349 1.00 0.00 C ATOM 396 CD GLU A 229 17.726 -7.607 17.265 1.00 0.00 C ATOM 397 OE1 GLU A 229 18.209 -8.005 16.218 1.00 0.00 O ATOM 398 OE2 GLU A 229 16.530 -7.574 17.496 1.00 0.00 O ATOM 0 H GLU A 229 20.160 -4.762 18.335 1.00 0.00 H new ATOM 0 HA GLU A 229 20.868 -7.048 19.867 1.00 0.00 H new ATOM 0 HB2 GLU A 229 20.215 -6.631 16.909 1.00 0.00 H new ATOM 0 HB3 GLU A 229 20.402 -8.210 17.645 1.00 0.00 H new ATOM 0 HG2 GLU A 229 18.569 -7.725 19.245 1.00 0.00 H new ATOM 0 HG3 GLU A 229 18.426 -6.091 18.628 1.00 0.00 H new ATOM 405 N GLY A 230 23.130 -5.818 17.897 1.00 0.00 N ATOM 406 CA GLY A 230 24.517 -5.944 17.466 1.00 0.00 C ATOM 407 C GLY A 230 25.452 -6.055 18.665 1.00 0.00 C ATOM 408 O GLY A 230 26.657 -6.252 18.507 1.00 0.00 O ATOM 0 H GLY A 230 22.703 -4.913 17.699 1.00 0.00 H new ATOM 0 HA2 GLY A 230 24.626 -6.824 16.832 1.00 0.00 H new ATOM 0 HA3 GLY A 230 24.794 -5.080 16.862 1.00 0.00 H new ATOM 437 N GLU A 233 27.689 -3.136 23.360 1.00 0.00 N ATOM 438 CA GLU A 233 28.209 -2.979 24.712 1.00 0.00 C ATOM 439 C GLU A 233 29.722 -3.175 24.733 1.00 0.00 C ATOM 440 O GLU A 233 30.442 -2.433 25.398 1.00 0.00 O ATOM 441 CB GLU A 233 27.549 -3.997 25.645 1.00 0.00 C ATOM 442 CG GLU A 233 26.069 -3.650 25.821 1.00 0.00 C ATOM 443 CD GLU A 233 25.375 -4.724 26.652 1.00 0.00 C ATOM 444 OE1 GLU A 233 26.056 -5.634 27.097 1.00 0.00 O ATOM 445 OE2 GLU A 233 24.172 -4.623 26.829 1.00 0.00 O ATOM 0 HA GLU A 233 27.981 -1.969 25.053 1.00 0.00 H new ATOM 0 HB2 GLU A 233 27.651 -5.001 25.234 1.00 0.00 H new ATOM 0 HB3 GLU A 233 28.050 -3.997 26.613 1.00 0.00 H new ATOM 0 HG2 GLU A 233 25.970 -2.681 26.309 1.00 0.00 H new ATOM 0 HG3 GLU A 233 25.589 -3.566 24.846 1.00 0.00 H new ATOM 452 N ILE A 234 30.200 -4.175 24.001 1.00 0.00 N ATOM 453 CA ILE A 234 31.633 -4.450 23.947 1.00 0.00 C ATOM 454 C ILE A 234 32.379 -3.281 23.306 1.00 0.00 C ATOM 455 O ILE A 234 33.432 -2.865 23.787 1.00 0.00 O ATOM 456 CB ILE A 234 31.891 -5.728 23.146 1.00 0.00 C ATOM 457 CG1 ILE A 234 31.340 -6.931 23.917 1.00 0.00 C ATOM 458 CG2 ILE A 234 33.398 -5.909 22.937 1.00 0.00 C ATOM 459 CD1 ILE A 234 31.355 -8.166 23.015 1.00 0.00 C ATOM 0 H ILE A 234 29.624 -4.804 23.442 1.00 0.00 H new ATOM 0 HA ILE A 234 31.998 -4.583 24.966 1.00 0.00 H new ATOM 0 HB ILE A 234 31.396 -5.654 22.178 1.00 0.00 H new ATOM 0 HG12 ILE A 234 31.941 -7.111 24.808 1.00 0.00 H new ATOM 0 HG13 ILE A 234 30.324 -6.726 24.254 1.00 0.00 H new ATOM 0 HG21 ILE A 234 33.579 -6.820 22.366 1.00 0.00 H new ATOM 0 HG22 ILE A 234 33.795 -5.053 22.391 1.00 0.00 H new ATOM 0 HG23 ILE A 234 33.893 -5.983 23.905 1.00 0.00 H new ATOM 0 HD11 ILE A 234 30.963 -9.022 23.564 1.00 0.00 H new ATOM 0 HD12 ILE A 234 30.735 -7.983 22.137 1.00 0.00 H new ATOM 0 HD13 ILE A 234 32.378 -8.374 22.700 1.00 0.00 H new ATOM 471 N LYS A 235 31.830 -2.766 22.211 1.00 0.00 N ATOM 472 CA LYS A 235 32.449 -1.652 21.507 1.00 0.00 C ATOM 473 C LYS A 235 32.380 -0.380 22.342 1.00 0.00 C ATOM 474 O LYS A 235 33.279 0.461 22.286 1.00 0.00 O ATOM 475 CB LYS A 235 31.755 -1.428 20.162 1.00 0.00 C ATOM 476 CG LYS A 235 32.493 -0.338 19.382 1.00 0.00 C ATOM 477 CD LYS A 235 31.855 -0.178 18.002 1.00 0.00 C ATOM 478 CE LYS A 235 32.601 0.900 17.215 1.00 0.00 C ATOM 479 NZ LYS A 235 34.011 0.473 17.000 1.00 0.00 N ATOM 0 H LYS A 235 30.961 -3.101 21.794 1.00 0.00 H new ATOM 0 HA LYS A 235 33.497 -1.897 21.334 1.00 0.00 H new ATOM 0 HB2 LYS A 235 31.742 -2.355 19.589 1.00 0.00 H new ATOM 0 HB3 LYS A 235 30.717 -1.137 20.321 1.00 0.00 H new ATOM 0 HG2 LYS A 235 32.450 0.606 19.926 1.00 0.00 H new ATOM 0 HG3 LYS A 235 33.546 -0.599 19.279 1.00 0.00 H new ATOM 0 HD2 LYS A 235 31.888 -1.125 17.463 1.00 0.00 H new ATOM 0 HD3 LYS A 235 30.804 0.094 18.105 1.00 0.00 H new ATOM 0 HE2 LYS A 235 32.111 1.070 16.256 1.00 0.00 H new ATOM 0 HE3 LYS A 235 32.575 1.845 17.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 34.408 0.983 16.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 34.572 0.687 17.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 34.040 -0.550 16.815 1.00 0.00 H new ATOM 493 N SER A 236 31.303 -0.238 23.106 1.00 0.00 N ATOM 494 CA SER A 236 31.119 0.945 23.938 1.00 0.00 C ATOM 495 C SER A 236 32.237 1.048 24.971 1.00 0.00 C ATOM 496 O SER A 236 32.689 2.144 25.303 1.00 0.00 O ATOM 497 CB SER A 236 29.770 0.877 24.654 1.00 0.00 C ATOM 498 OG SER A 236 29.808 -0.158 25.629 1.00 0.00 O ATOM 0 H SER A 236 30.549 -0.922 23.167 1.00 0.00 H new ATOM 0 HA SER A 236 31.145 1.826 23.296 1.00 0.00 H new ATOM 0 HB2 SER A 236 29.549 1.833 25.130 1.00 0.00 H new ATOM 0 HB3 SER A 236 28.973 0.687 23.935 1.00 0.00 H new ATOM 0 HG SER A 236 30.358 -0.899 25.299 1.00 0.00 H new ATOM 504 N LYS A 237 32.681 -0.101 25.470 1.00 0.00 N ATOM 505 CA LYS A 237 33.751 -0.130 26.464 1.00 0.00 C ATOM 506 C LYS A 237 35.039 0.452 25.889 1.00 0.00 C ATOM 507 O LYS A 237 35.740 1.208 26.560 1.00 0.00 O ATOM 508 CB LYS A 237 33.997 -1.568 26.924 1.00 0.00 C ATOM 509 CG LYS A 237 32.814 -2.042 27.772 1.00 0.00 C ATOM 510 CD LYS A 237 33.066 -3.476 28.244 1.00 0.00 C ATOM 511 CE LYS A 237 31.913 -3.930 29.140 1.00 0.00 C ATOM 512 NZ LYS A 237 30.645 -3.930 28.357 1.00 0.00 N ATOM 0 H LYS A 237 32.321 -1.018 25.206 1.00 0.00 H new ATOM 0 HA LYS A 237 33.444 0.477 27.316 1.00 0.00 H new ATOM 0 HB2 LYS A 237 34.124 -2.221 26.060 1.00 0.00 H new ATOM 0 HB3 LYS A 237 34.919 -1.623 27.503 1.00 0.00 H new ATOM 0 HG2 LYS A 237 32.681 -1.383 28.630 1.00 0.00 H new ATOM 0 HG3 LYS A 237 31.894 -1.996 27.190 1.00 0.00 H new ATOM 0 HD2 LYS A 237 33.157 -4.142 27.386 1.00 0.00 H new ATOM 0 HD3 LYS A 237 34.008 -3.530 28.790 1.00 0.00 H new ATOM 0 HE2 LYS A 237 32.112 -4.928 29.529 1.00 0.00 H new ATOM 0 HE3 LYS A 237 31.822 -3.265 29.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 30.135 -4.821 28.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 30.052 -3.130 28.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 30.862 -3.839 27.344 1.00 0.00 H new ATOM 526 N ARG A 238 35.343 0.096 24.645 1.00 0.00 N ATOM 527 CA ARG A 238 36.550 0.590 23.994 1.00 0.00 C ATOM 528 C ARG A 238 36.478 2.105 23.818 1.00 0.00 C ATOM 529 O ARG A 238 37.473 2.808 23.995 1.00 0.00 O ATOM 530 CB ARG A 238 36.722 -0.081 22.629 1.00 0.00 C ATOM 531 CG ARG A 238 38.040 0.373 22.000 1.00 0.00 C ATOM 532 CD ARG A 238 38.223 -0.320 20.651 1.00 0.00 C ATOM 533 NE ARG A 238 39.486 0.088 20.042 1.00 0.00 N ATOM 534 CZ ARG A 238 39.574 1.199 19.318 1.00 0.00 C ATOM 535 NH1 ARG A 238 38.520 1.949 19.142 1.00 0.00 N ATOM 536 NH2 ARG A 238 40.714 1.540 18.785 1.00 0.00 N ATOM 0 H ARG A 238 34.775 -0.528 24.072 1.00 0.00 H new ATOM 0 HA ARG A 238 37.407 0.349 24.623 1.00 0.00 H new ATOM 0 HB2 ARG A 238 36.715 -1.165 22.741 1.00 0.00 H new ATOM 0 HB3 ARG A 238 35.888 0.177 21.977 1.00 0.00 H new ATOM 0 HG2 ARG A 238 38.039 1.455 21.868 1.00 0.00 H new ATOM 0 HG3 ARG A 238 38.873 0.133 22.661 1.00 0.00 H new ATOM 0 HD2 ARG A 238 38.208 -1.402 20.785 1.00 0.00 H new ATOM 0 HD3 ARG A 238 37.394 -0.069 19.989 1.00 0.00 H new ATOM 0 HE ARG A 238 40.316 -0.490 20.175 1.00 0.00 H new ATOM 0 HH11 ARG A 238 37.629 1.682 19.560 1.00 0.00 H new ATOM 0 HH12 ARG A 238 38.588 2.802 18.586 1.00 0.00 H new ATOM 0 HH21 ARG A 238 41.537 0.954 18.924 1.00 0.00 H new ATOM 0 HH22 ARG A 238 40.782 2.393 18.229 1.00 0.00 H new ATOM 550 N ARG A 239 35.300 2.600 23.459 1.00 0.00 N ATOM 551 CA ARG A 239 35.114 4.030 23.252 1.00 0.00 C ATOM 552 C ARG A 239 35.504 4.802 24.510 1.00 0.00 C ATOM 553 O ARG A 239 36.141 5.854 24.432 1.00 0.00 O ATOM 554 CB ARG A 239 33.651 4.322 22.905 1.00 0.00 C ATOM 555 CG ARG A 239 33.483 5.813 22.597 1.00 0.00 C ATOM 556 CD ARG A 239 32.019 6.106 22.273 1.00 0.00 C ATOM 557 NE ARG A 239 31.861 7.495 21.859 1.00 0.00 N ATOM 558 CZ ARG A 239 30.664 8.072 21.837 1.00 0.00 C ATOM 559 NH1 ARG A 239 29.606 7.392 22.187 1.00 0.00 N ATOM 560 NH2 ARG A 239 30.546 9.319 21.468 1.00 0.00 N ATOM 0 H ARG A 239 34.464 2.036 23.306 1.00 0.00 H new ATOM 0 HA ARG A 239 35.752 4.348 22.427 1.00 0.00 H new ATOM 0 HB2 ARG A 239 33.345 3.726 22.045 1.00 0.00 H new ATOM 0 HB3 ARG A 239 33.006 4.037 23.736 1.00 0.00 H new ATOM 0 HG2 ARG A 239 33.804 6.410 23.451 1.00 0.00 H new ATOM 0 HG3 ARG A 239 34.116 6.095 21.755 1.00 0.00 H new ATOM 0 HD2 ARG A 239 31.675 5.442 21.480 1.00 0.00 H new ATOM 0 HD3 ARG A 239 31.399 5.907 23.147 1.00 0.00 H new ATOM 0 HE ARG A 239 32.682 8.033 21.582 1.00 0.00 H new ATOM 0 HH11 ARG A 239 29.698 6.419 22.477 1.00 0.00 H new ATOM 0 HH12 ARG A 239 28.687 7.834 22.170 1.00 0.00 H new ATOM 0 HH21 ARG A 239 31.373 9.851 21.196 1.00 0.00 H new ATOM 0 HH22 ARG A 239 29.627 9.761 21.451 1.00 0.00 H new ATOM 574 N GLN A 240 35.107 4.284 25.666 1.00 0.00 N ATOM 575 CA GLN A 240 35.415 4.944 26.932 1.00 0.00 C ATOM 576 C GLN A 240 36.913 5.204 27.053 1.00 0.00 C ATOM 577 O GLN A 240 37.333 6.304 27.413 1.00 0.00 O ATOM 578 CB GLN A 240 34.958 4.067 28.099 1.00 0.00 C ATOM 579 CG GLN A 240 33.432 3.974 28.105 1.00 0.00 C ATOM 580 CD GLN A 240 32.965 3.088 29.255 1.00 0.00 C ATOM 581 OE1 GLN A 240 33.364 3.296 30.400 1.00 0.00 O ATOM 582 NE2 GLN A 240 32.143 2.103 29.015 1.00 0.00 N ATOM 0 H GLN A 240 34.576 3.418 25.755 1.00 0.00 H new ATOM 0 HA GLN A 240 34.888 5.898 26.959 1.00 0.00 H new ATOM 0 HB2 GLN A 240 35.393 3.071 28.011 1.00 0.00 H new ATOM 0 HB3 GLN A 240 35.310 4.486 29.042 1.00 0.00 H new ATOM 0 HG2 GLN A 240 33.000 4.970 28.204 1.00 0.00 H new ATOM 0 HG3 GLN A 240 33.081 3.567 27.157 1.00 0.00 H new ATOM 0 HE21 GLN A 240 31.814 1.933 28.065 1.00 0.00 H new ATOM 0 HE22 GLN A 240 31.829 1.503 29.778 1.00 0.00 H new ATOM 591 N PHE A 241 37.714 4.189 26.743 1.00 0.00 N ATOM 592 CA PHE A 241 39.164 4.324 26.815 1.00 0.00 C ATOM 593 C PHE A 241 39.666 5.298 25.756 1.00 0.00 C ATOM 594 O PHE A 241 40.600 6.059 25.994 1.00 0.00 O ATOM 595 CB PHE A 241 39.828 2.961 26.612 1.00 0.00 C ATOM 596 CG PHE A 241 39.554 2.085 27.812 1.00 0.00 C ATOM 597 CD1 PHE A 241 40.257 2.291 29.004 1.00 0.00 C ATOM 598 CD2 PHE A 241 38.596 1.067 27.732 1.00 0.00 C ATOM 599 CE1 PHE A 241 40.003 1.480 30.116 1.00 0.00 C ATOM 600 CE2 PHE A 241 38.342 0.255 28.843 1.00 0.00 C ATOM 601 CZ PHE A 241 39.046 0.461 30.035 1.00 0.00 C ATOM 0 H PHE A 241 37.386 3.271 26.442 1.00 0.00 H new ATOM 0 HA PHE A 241 39.424 4.711 27.800 1.00 0.00 H new ATOM 0 HB2 PHE A 241 39.444 2.488 25.708 1.00 0.00 H new ATOM 0 HB3 PHE A 241 40.902 3.084 26.476 1.00 0.00 H new ATOM 0 HD1 PHE A 241 40.996 3.076 29.066 1.00 0.00 H new ATOM 0 HD2 PHE A 241 38.053 0.908 26.812 1.00 0.00 H new ATOM 0 HE1 PHE A 241 40.545 1.640 31.036 1.00 0.00 H new ATOM 0 HE2 PHE A 241 37.603 -0.530 28.781 1.00 0.00 H new ATOM 0 HZ PHE A 241 38.851 -0.166 30.892 1.00 0.00 H new ATOM 611 N HIS A 242 39.038 5.265 24.586 1.00 0.00 N ATOM 612 CA HIS A 242 39.428 6.144 23.492 1.00 0.00 C ATOM 613 C HIS A 242 39.334 7.603 23.919 1.00 0.00 C ATOM 614 O HIS A 242 40.135 8.438 23.497 1.00 0.00 O ATOM 615 CB HIS A 242 38.530 5.904 22.278 1.00 0.00 C ATOM 616 CG HIS A 242 38.973 6.785 21.144 1.00 0.00 C ATOM 617 ND1 HIS A 242 40.184 6.601 20.494 1.00 0.00 N ATOM 618 CD2 HIS A 242 38.378 7.860 20.530 1.00 0.00 C ATOM 619 CE1 HIS A 242 40.277 7.542 19.536 1.00 0.00 C ATOM 620 NE2 HIS A 242 39.204 8.335 19.515 1.00 0.00 N ATOM 0 H HIS A 242 38.260 4.641 24.372 1.00 0.00 H new ATOM 0 HA HIS A 242 40.461 5.922 23.224 1.00 0.00 H new ATOM 0 HB2 HIS A 242 38.577 4.857 21.979 1.00 0.00 H new ATOM 0 HB3 HIS A 242 37.492 6.116 22.533 1.00 0.00 H new ATOM 0 HD2 HIS A 242 37.416 8.274 20.794 1.00 0.00 H new ATOM 0 HE1 HIS A 242 41.118 7.643 18.866 1.00 0.00 H new ATOM 0 HE2 HIS A 242 39.027 9.121 18.889 1.00 0.00 H new ATOM 628 N GLN A 243 38.351 7.907 24.757 1.00 0.00 N ATOM 629 CA GLN A 243 38.164 9.273 25.233 1.00 0.00 C ATOM 630 C GLN A 243 39.366 9.720 26.053 1.00 0.00 C ATOM 631 O GLN A 243 39.777 10.879 25.989 1.00 0.00 O ATOM 632 CB GLN A 243 36.899 9.359 26.092 1.00 0.00 C ATOM 633 CG GLN A 243 35.664 9.154 25.214 1.00 0.00 C ATOM 634 CD GLN A 243 35.513 10.323 24.246 1.00 0.00 C ATOM 635 OE1 GLN A 243 35.604 11.482 24.651 1.00 0.00 O ATOM 636 NE2 GLN A 243 35.290 10.087 22.981 1.00 0.00 N ATOM 0 H GLN A 243 37.676 7.233 25.119 1.00 0.00 H new ATOM 0 HA GLN A 243 38.061 9.929 24.369 1.00 0.00 H new ATOM 0 HB2 GLN A 243 36.929 8.603 26.877 1.00 0.00 H new ATOM 0 HB3 GLN A 243 36.849 10.329 26.586 1.00 0.00 H new ATOM 0 HG2 GLN A 243 35.753 8.220 24.659 1.00 0.00 H new ATOM 0 HG3 GLN A 243 34.774 9.070 25.838 1.00 0.00 H new ATOM 0 HE21 GLN A 243 35.215 9.126 22.647 1.00 0.00 H new ATOM 0 HE22 GLN A 243 35.191 10.864 22.327 1.00 0.00 H new ATOM 645 N GLU A 244 39.930 8.794 26.821 1.00 0.00 N ATOM 646 CA GLU A 244 41.088 9.109 27.648 1.00 0.00 C ATOM 647 C GLU A 244 42.289 9.459 26.775 1.00 0.00 C ATOM 648 O GLU A 244 43.023 10.404 27.064 1.00 0.00 O ATOM 649 CB GLU A 244 41.433 7.911 28.537 1.00 0.00 C ATOM 650 CG GLU A 244 40.322 7.704 29.568 1.00 0.00 C ATOM 651 CD GLU A 244 40.616 6.469 30.412 1.00 0.00 C ATOM 652 OE1 GLU A 244 41.682 5.899 30.242 1.00 0.00 O ATOM 653 OE2 GLU A 244 39.769 6.106 31.211 1.00 0.00 O ATOM 0 H GLU A 244 39.608 7.829 26.888 1.00 0.00 H new ATOM 0 HA GLU A 244 40.844 9.968 28.273 1.00 0.00 H new ATOM 0 HB2 GLU A 244 41.550 7.015 27.928 1.00 0.00 H new ATOM 0 HB3 GLU A 244 42.384 8.081 29.041 1.00 0.00 H new ATOM 0 HG2 GLU A 244 40.242 8.582 30.209 1.00 0.00 H new ATOM 0 HG3 GLU A 244 39.363 7.589 29.063 1.00 0.00 H new ATOM 660 N ILE A 245 42.482 8.692 25.708 1.00 0.00 N ATOM 661 CA ILE A 245 43.599 8.934 24.798 1.00 0.00 C ATOM 662 C ILE A 245 43.407 10.247 24.049 1.00 0.00 C ATOM 663 O ILE A 245 44.376 10.883 23.638 1.00 0.00 O ATOM 664 CB ILE A 245 43.714 7.784 23.797 1.00 0.00 C ATOM 665 CG1 ILE A 245 43.651 6.448 24.545 1.00 0.00 C ATOM 666 CG2 ILE A 245 45.047 7.884 23.052 1.00 0.00 C ATOM 667 CD1 ILE A 245 44.698 6.430 25.666 1.00 0.00 C ATOM 0 H ILE A 245 41.887 7.904 25.452 1.00 0.00 H new ATOM 0 HA ILE A 245 44.515 8.997 25.386 1.00 0.00 H new ATOM 0 HB ILE A 245 42.893 7.843 23.083 1.00 0.00 H new ATOM 0 HG12 ILE A 245 42.655 6.301 24.963 1.00 0.00 H new ATOM 0 HG13 ILE A 245 43.831 5.625 23.854 1.00 0.00 H new ATOM 0 HG21 ILE A 245 45.128 7.064 22.339 1.00 0.00 H new ATOM 0 HG22 ILE A 245 45.096 8.834 22.520 1.00 0.00 H new ATOM 0 HG23 ILE A 245 45.868 7.826 23.766 1.00 0.00 H new ATOM 0 HD11 ILE A 245 44.649 5.478 26.195 1.00 0.00 H new ATOM 0 HD12 ILE A 245 45.692 6.556 25.237 1.00 0.00 H new ATOM 0 HD13 ILE A 245 44.498 7.243 26.364 1.00 0.00 H new ATOM 679 N GLN A 246 42.153 10.649 23.873 1.00 0.00 N ATOM 680 CA GLN A 246 41.857 11.892 23.171 1.00 0.00 C ATOM 681 C GLN A 246 42.389 13.082 23.960 1.00 0.00 C ATOM 682 O GLN A 246 42.859 14.060 23.385 1.00 0.00 O ATOM 683 CB GLN A 246 40.347 12.039 22.975 1.00 0.00 C ATOM 684 CG GLN A 246 40.065 13.245 22.074 1.00 0.00 C ATOM 685 CD GLN A 246 38.561 13.427 21.904 1.00 0.00 C ATOM 686 OE1 GLN A 246 38.088 14.545 21.701 1.00 0.00 O ATOM 687 NE2 GLN A 246 37.774 12.388 21.983 1.00 0.00 N ATOM 0 H GLN A 246 41.334 10.139 24.203 1.00 0.00 H new ATOM 0 HA GLN A 246 42.344 11.865 22.196 1.00 0.00 H new ATOM 0 HB2 GLN A 246 39.938 11.133 22.527 1.00 0.00 H new ATOM 0 HB3 GLN A 246 39.855 12.169 23.939 1.00 0.00 H new ATOM 0 HG2 GLN A 246 40.502 14.144 22.508 1.00 0.00 H new ATOM 0 HG3 GLN A 246 40.535 13.100 21.101 1.00 0.00 H new ATOM 0 HE21 GLN A 246 38.167 11.462 22.151 1.00 0.00 H new ATOM 0 HE22 GLN A 246 36.766 12.502 21.876 1.00 0.00 H new ATOM 696 N SER A 247 42.310 12.997 25.283 1.00 0.00 N ATOM 697 CA SER A 247 42.788 14.079 26.133 1.00 0.00 C ATOM 698 C SER A 247 44.300 14.211 26.006 1.00 0.00 C ATOM 699 O SER A 247 44.876 15.248 26.333 1.00 0.00 O ATOM 700 CB SER A 247 42.420 13.807 27.591 1.00 0.00 C ATOM 701 OG SER A 247 42.716 14.956 28.374 1.00 0.00 O ATOM 0 H SER A 247 41.923 12.198 25.786 1.00 0.00 H new ATOM 0 HA SER A 247 42.316 15.008 25.813 1.00 0.00 H new ATOM 0 HB2 SER A 247 41.361 13.562 27.671 1.00 0.00 H new ATOM 0 HB3 SER A 247 42.975 12.946 27.963 1.00 0.00 H new ATOM 0 HG SER A 247 43.479 15.431 27.983 1.00 0.00 H new ATOM 707 N ARG A 248 44.938 13.148 25.526 1.00 0.00 N ATOM 708 CA ARG A 248 46.387 13.144 25.354 1.00 0.00 C ATOM 709 C ARG A 248 46.765 13.693 23.983 1.00 0.00 C ATOM 710 O ARG A 248 47.795 13.323 23.420 1.00 0.00 O ATOM 711 CB ARG A 248 46.923 11.718 25.500 1.00 0.00 C ATOM 712 CG ARG A 248 46.779 11.264 26.954 1.00 0.00 C ATOM 713 CD ARG A 248 47.246 9.814 27.086 1.00 0.00 C ATOM 714 NE ARG A 248 47.113 9.364 28.469 1.00 0.00 N ATOM 715 CZ ARG A 248 45.974 8.845 28.916 1.00 0.00 C ATOM 716 NH1 ARG A 248 44.950 8.729 28.113 1.00 0.00 N ATOM 717 NH2 ARG A 248 45.878 8.450 30.155 1.00 0.00 N ATOM 0 H ARG A 248 44.477 12.281 25.250 1.00 0.00 H new ATOM 0 HA ARG A 248 46.828 13.780 26.121 1.00 0.00 H new ATOM 0 HB2 ARG A 248 46.376 11.043 24.842 1.00 0.00 H new ATOM 0 HB3 ARG A 248 47.970 11.679 25.198 1.00 0.00 H new ATOM 0 HG2 ARG A 248 47.369 11.908 27.607 1.00 0.00 H new ATOM 0 HG3 ARG A 248 45.740 11.353 27.272 1.00 0.00 H new ATOM 0 HD2 ARG A 248 46.657 9.174 26.430 1.00 0.00 H new ATOM 0 HD3 ARG A 248 48.285 9.729 26.767 1.00 0.00 H new ATOM 0 HE ARG A 248 47.908 9.449 29.103 1.00 0.00 H new ATOM 0 HH11 ARG A 248 45.025 9.037 27.143 1.00 0.00 H new ATOM 0 HH12 ARG A 248 44.076 8.331 28.456 1.00 0.00 H new ATOM 0 HH21 ARG A 248 46.677 8.539 30.782 1.00 0.00 H new ATOM 0 HH22 ARG A 248 45.003 8.052 30.497 1.00 0.00 H new