USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=10 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= -0.0336 USER MOD Single : A 218 LYS NZ :NH3+ -165:sc= -0.012 (180deg=-0.262) USER MOD Single : A 222 LYS NZ :NH3+ -165:sc= -0.0137 (180deg=-0.293) USER MOD Single : A 225 TYR OH : rot -134:sc= 0.0342 USER MOD Single : A 226 LYS NZ :NH3+ 161:sc= -0.0633 (180deg=-0.481) USER MOD Single : A 228 MET CE :methyl -160:sc= 0 (180deg=-0.0637) USER MOD Single : A 235 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 SER OG : rot 180:sc= 0 USER MOD Single : A 237 LYS NZ :NH3+ -163:sc= -0.0388 (180deg=-0.378) USER MOD Single : A 240 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 242 HIS : no HE2:sc= -0.66 K(o=-0.66,f=-5.2!) USER MOD Single : A 243 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.29) USER MOD Single : A 246 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 247 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 217 25.663 -32.936 20.989 1.00 0.00 N ATOM 176 CA SER A 217 26.882 -33.624 21.395 1.00 0.00 C ATOM 177 C SER A 217 27.679 -32.767 22.373 1.00 0.00 C ATOM 178 O SER A 217 27.563 -31.542 22.372 1.00 0.00 O ATOM 179 CB SER A 217 27.741 -33.935 20.169 1.00 0.00 C ATOM 180 OG SER A 217 28.981 -34.488 20.592 1.00 0.00 O ATOM 0 HA SER A 217 26.604 -34.556 21.888 1.00 0.00 H new ATOM 0 HB2 SER A 217 27.222 -34.635 19.515 1.00 0.00 H new ATOM 0 HB3 SER A 217 27.913 -33.027 19.591 1.00 0.00 H new ATOM 0 HG SER A 217 29.533 -34.690 19.808 1.00 0.00 H new ATOM 186 N LYS A 218 28.483 -33.420 23.205 1.00 0.00 N ATOM 187 CA LYS A 218 29.294 -32.705 24.187 1.00 0.00 C ATOM 188 C LYS A 218 30.259 -31.754 23.491 1.00 0.00 C ATOM 189 O LYS A 218 30.533 -30.665 23.988 1.00 0.00 O ATOM 190 CB LYS A 218 30.076 -33.703 25.041 1.00 0.00 C ATOM 191 CG LYS A 218 30.966 -34.560 24.140 1.00 0.00 C ATOM 192 CD LYS A 218 31.676 -35.621 24.982 1.00 0.00 C ATOM 193 CE LYS A 218 32.661 -36.394 24.103 1.00 0.00 C ATOM 194 NZ LYS A 218 31.907 -37.171 23.079 1.00 0.00 N ATOM 0 H LYS A 218 28.591 -34.434 23.221 1.00 0.00 H new ATOM 0 HA LYS A 218 28.632 -32.123 24.828 1.00 0.00 H new ATOM 0 HB2 LYS A 218 30.685 -33.172 25.773 1.00 0.00 H new ATOM 0 HB3 LYS A 218 29.388 -34.337 25.599 1.00 0.00 H new ATOM 0 HG2 LYS A 218 30.365 -35.037 23.366 1.00 0.00 H new ATOM 0 HG3 LYS A 218 31.699 -33.933 23.633 1.00 0.00 H new ATOM 0 HD2 LYS A 218 32.204 -35.149 25.811 1.00 0.00 H new ATOM 0 HD3 LYS A 218 30.946 -36.304 25.417 1.00 0.00 H new ATOM 0 HE2 LYS A 218 33.350 -35.704 23.617 1.00 0.00 H new ATOM 0 HE3 LYS A 218 33.262 -37.066 24.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 32.534 -37.883 22.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 31.099 -37.647 23.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 31.561 -36.527 22.340 1.00 0.00 H new ATOM 208 N ASP A 219 30.765 -32.171 22.336 1.00 0.00 N ATOM 209 CA ASP A 219 31.693 -31.343 21.575 1.00 0.00 C ATOM 210 C ASP A 219 30.998 -30.077 21.085 1.00 0.00 C ATOM 211 O ASP A 219 31.607 -29.012 21.004 1.00 0.00 O ATOM 212 CB ASP A 219 32.235 -32.128 20.379 1.00 0.00 C ATOM 213 CG ASP A 219 33.263 -31.290 19.626 1.00 0.00 C ATOM 214 OD1 ASP A 219 33.405 -30.125 19.958 1.00 0.00 O ATOM 215 OD2 ASP A 219 33.896 -31.826 18.734 1.00 0.00 O ATOM 0 H ASP A 219 30.550 -33.072 21.908 1.00 0.00 H new ATOM 0 HA ASP A 219 32.520 -31.062 22.227 1.00 0.00 H new ATOM 0 HB2 ASP A 219 32.691 -33.057 20.720 1.00 0.00 H new ATOM 0 HB3 ASP A 219 31.417 -32.401 19.712 1.00 0.00 H new ATOM 220 N GLU A 220 29.718 -30.205 20.749 1.00 0.00 N ATOM 221 CA GLU A 220 28.949 -29.066 20.257 1.00 0.00 C ATOM 222 C GLU A 220 28.982 -27.925 21.268 1.00 0.00 C ATOM 223 O GLU A 220 28.752 -26.766 20.921 1.00 0.00 O ATOM 224 CB GLU A 220 27.499 -29.484 20.002 1.00 0.00 C ATOM 225 CG GLU A 220 26.801 -28.420 19.150 1.00 0.00 C ATOM 226 CD GLU A 220 27.351 -28.449 17.727 1.00 0.00 C ATOM 227 OE1 GLU A 220 27.919 -29.461 17.353 1.00 0.00 O ATOM 228 OE2 GLU A 220 27.195 -27.459 17.032 1.00 0.00 O ATOM 0 H GLU A 220 29.194 -31.078 20.807 1.00 0.00 H new ATOM 0 HA GLU A 220 29.396 -28.724 19.323 1.00 0.00 H new ATOM 0 HB2 GLU A 220 27.472 -30.448 19.493 1.00 0.00 H new ATOM 0 HB3 GLU A 220 26.974 -29.609 20.949 1.00 0.00 H new ATOM 0 HG2 GLU A 220 25.726 -28.600 19.137 1.00 0.00 H new ATOM 0 HG3 GLU A 220 26.954 -27.434 19.588 1.00 0.00 H new ATOM 235 N ILE A 221 29.259 -28.260 22.520 1.00 0.00 N ATOM 236 CA ILE A 221 29.306 -27.252 23.572 1.00 0.00 C ATOM 237 C ILE A 221 30.302 -26.149 23.218 1.00 0.00 C ATOM 238 O ILE A 221 30.095 -24.982 23.548 1.00 0.00 O ATOM 239 CB ILE A 221 29.721 -27.908 24.897 1.00 0.00 C ATOM 240 CG1 ILE A 221 29.449 -26.933 26.051 1.00 0.00 C ATOM 241 CG2 ILE A 221 31.214 -28.265 24.862 1.00 0.00 C ATOM 242 CD1 ILE A 221 27.937 -26.738 26.241 1.00 0.00 C ATOM 0 H ILE A 221 29.453 -29.212 22.831 1.00 0.00 H new ATOM 0 HA ILE A 221 28.315 -26.810 23.673 1.00 0.00 H new ATOM 0 HB ILE A 221 29.144 -28.821 25.044 1.00 0.00 H new ATOM 0 HG12 ILE A 221 29.891 -27.316 26.971 1.00 0.00 H new ATOM 0 HG13 ILE A 221 29.923 -25.973 25.844 1.00 0.00 H new ATOM 0 HG21 ILE A 221 31.499 -28.730 25.806 1.00 0.00 H new ATOM 0 HG22 ILE A 221 31.403 -28.960 24.044 1.00 0.00 H new ATOM 0 HG23 ILE A 221 31.801 -27.359 24.712 1.00 0.00 H new ATOM 0 HD11 ILE A 221 27.760 -26.044 27.063 1.00 0.00 H new ATOM 0 HD12 ILE A 221 27.504 -26.334 25.326 1.00 0.00 H new ATOM 0 HD13 ILE A 221 27.472 -27.697 26.470 1.00 0.00 H new ATOM 254 N LYS A 222 31.379 -26.533 22.545 1.00 0.00 N ATOM 255 CA LYS A 222 32.402 -25.574 22.149 1.00 0.00 C ATOM 256 C LYS A 222 31.805 -24.510 21.233 1.00 0.00 C ATOM 257 O LYS A 222 32.131 -23.330 21.346 1.00 0.00 O ATOM 258 CB LYS A 222 33.541 -26.296 21.427 1.00 0.00 C ATOM 259 CG LYS A 222 34.304 -27.172 22.423 1.00 0.00 C ATOM 260 CD LYS A 222 35.420 -27.924 21.694 1.00 0.00 C ATOM 261 CE LYS A 222 36.117 -28.874 22.670 1.00 0.00 C ATOM 262 NZ LYS A 222 36.835 -28.082 23.707 1.00 0.00 N ATOM 0 H LYS A 222 31.566 -27.495 22.263 1.00 0.00 H new ATOM 0 HA LYS A 222 32.792 -25.090 23.044 1.00 0.00 H new ATOM 0 HB2 LYS A 222 33.142 -26.909 20.619 1.00 0.00 H new ATOM 0 HB3 LYS A 222 34.216 -25.570 20.974 1.00 0.00 H new ATOM 0 HG2 LYS A 222 34.725 -26.555 23.217 1.00 0.00 H new ATOM 0 HG3 LYS A 222 33.623 -27.880 22.896 1.00 0.00 H new ATOM 0 HD2 LYS A 222 35.007 -28.485 20.856 1.00 0.00 H new ATOM 0 HD3 LYS A 222 36.140 -27.217 21.281 1.00 0.00 H new ATOM 0 HE2 LYS A 222 35.385 -29.530 23.141 1.00 0.00 H new ATOM 0 HE3 LYS A 222 36.819 -29.512 22.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 222 37.506 -28.697 24.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 222 37.353 -27.303 23.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 222 36.148 -27.692 24.384 1.00 0.00 H new ATOM 276 N ARG A 223 30.932 -24.935 20.328 1.00 0.00 N ATOM 277 CA ARG A 223 30.300 -24.002 19.401 1.00 0.00 C ATOM 278 C ARG A 223 29.452 -22.986 20.151 1.00 0.00 C ATOM 279 O ARG A 223 29.414 -21.810 19.788 1.00 0.00 O ATOM 280 CB ARG A 223 29.421 -24.773 18.413 1.00 0.00 C ATOM 281 CG ARG A 223 30.289 -25.739 17.591 1.00 0.00 C ATOM 282 CD ARG A 223 30.968 -24.987 16.443 1.00 0.00 C ATOM 283 NE ARG A 223 29.963 -24.333 15.613 1.00 0.00 N ATOM 284 CZ ARG A 223 30.314 -23.502 14.639 1.00 0.00 C ATOM 285 NH1 ARG A 223 31.574 -23.261 14.413 1.00 0.00 N ATOM 286 NH2 ARG A 223 29.396 -22.926 13.911 1.00 0.00 N ATOM 0 H ARG A 223 30.647 -25.908 20.216 1.00 0.00 H new ATOM 0 HA ARG A 223 31.082 -23.470 18.860 1.00 0.00 H new ATOM 0 HB2 ARG A 223 28.653 -25.328 18.951 1.00 0.00 H new ATOM 0 HB3 ARG A 223 28.906 -24.078 17.750 1.00 0.00 H new ATOM 0 HG2 ARG A 223 31.042 -26.198 18.231 1.00 0.00 H new ATOM 0 HG3 ARG A 223 29.673 -26.546 17.194 1.00 0.00 H new ATOM 0 HD2 ARG A 223 31.661 -24.246 16.842 1.00 0.00 H new ATOM 0 HD3 ARG A 223 31.555 -25.680 15.840 1.00 0.00 H new ATOM 0 HE ARG A 223 28.974 -24.517 15.784 1.00 0.00 H new ATOM 0 HH11 ARG A 223 32.290 -23.711 14.984 1.00 0.00 H new ATOM 0 HH12 ARG A 223 31.845 -22.623 13.665 1.00 0.00 H new ATOM 0 HH21 ARG A 223 28.410 -23.115 14.091 1.00 0.00 H new ATOM 0 HH22 ARG A 223 29.665 -22.287 13.163 1.00 0.00 H new ATOM 300 N GLU A 224 28.772 -23.443 21.195 1.00 0.00 N ATOM 301 CA GLU A 224 27.928 -22.559 21.988 1.00 0.00 C ATOM 302 C GLU A 224 28.774 -21.512 22.707 1.00 0.00 C ATOM 303 O GLU A 224 28.372 -20.356 22.834 1.00 0.00 O ATOM 304 CB GLU A 224 27.136 -23.374 23.015 1.00 0.00 C ATOM 305 CG GLU A 224 26.196 -22.447 23.789 1.00 0.00 C ATOM 306 CD GLU A 224 25.315 -23.264 24.727 1.00 0.00 C ATOM 307 OE1 GLU A 224 25.229 -24.465 24.532 1.00 0.00 O ATOM 308 OE2 GLU A 224 24.741 -22.676 25.630 1.00 0.00 O ATOM 0 H GLU A 224 28.788 -24.413 21.510 1.00 0.00 H new ATOM 0 HA GLU A 224 27.236 -22.051 21.317 1.00 0.00 H new ATOM 0 HB2 GLU A 224 26.563 -24.153 22.512 1.00 0.00 H new ATOM 0 HB3 GLU A 224 27.818 -23.874 23.703 1.00 0.00 H new ATOM 0 HG2 GLU A 224 26.776 -21.722 24.360 1.00 0.00 H new ATOM 0 HG3 GLU A 224 25.575 -21.882 23.094 1.00 0.00 H new ATOM 315 N TYR A 225 29.946 -21.927 23.179 1.00 0.00 N ATOM 316 CA TYR A 225 30.838 -21.017 23.888 1.00 0.00 C ATOM 317 C TYR A 225 31.291 -19.886 22.969 1.00 0.00 C ATOM 318 O TYR A 225 31.325 -18.722 23.370 1.00 0.00 O ATOM 319 CB TYR A 225 32.059 -21.781 24.406 1.00 0.00 C ATOM 320 CG TYR A 225 33.019 -20.814 25.061 1.00 0.00 C ATOM 321 CD1 TYR A 225 32.744 -20.311 26.339 1.00 0.00 C ATOM 322 CD2 TYR A 225 34.184 -20.420 24.390 1.00 0.00 C ATOM 323 CE1 TYR A 225 33.631 -19.416 26.945 1.00 0.00 C ATOM 324 CE2 TYR A 225 35.073 -19.526 24.997 1.00 0.00 C ATOM 325 CZ TYR A 225 34.796 -19.022 26.275 1.00 0.00 C ATOM 326 OH TYR A 225 35.672 -18.141 26.872 1.00 0.00 O ATOM 0 H TYR A 225 30.298 -22.880 23.084 1.00 0.00 H new ATOM 0 HA TYR A 225 30.296 -20.588 24.730 1.00 0.00 H new ATOM 0 HB2 TYR A 225 31.748 -22.542 25.122 1.00 0.00 H new ATOM 0 HB3 TYR A 225 32.553 -22.299 23.584 1.00 0.00 H new ATOM 0 HD1 TYR A 225 31.846 -20.615 26.857 1.00 0.00 H new ATOM 0 HD2 TYR A 225 34.396 -20.806 23.404 1.00 0.00 H new ATOM 0 HE1 TYR A 225 33.418 -19.028 27.930 1.00 0.00 H new ATOM 0 HE2 TYR A 225 35.972 -19.224 24.481 1.00 0.00 H new ATOM 0 HH TYR A 225 35.935 -17.453 26.226 1.00 0.00 H new ATOM 336 N LYS A 226 31.642 -20.237 21.738 1.00 0.00 N ATOM 337 CA LYS A 226 32.097 -19.244 20.771 1.00 0.00 C ATOM 338 C LYS A 226 30.973 -18.270 20.439 1.00 0.00 C ATOM 339 O LYS A 226 31.215 -17.094 20.167 1.00 0.00 O ATOM 340 CB LYS A 226 32.569 -19.939 19.490 1.00 0.00 C ATOM 341 CG LYS A 226 33.173 -18.902 18.539 1.00 0.00 C ATOM 342 CD LYS A 226 33.663 -19.597 17.268 1.00 0.00 C ATOM 343 CE LYS A 226 34.260 -18.559 16.316 1.00 0.00 C ATOM 344 NZ LYS A 226 35.473 -17.954 16.936 1.00 0.00 N ATOM 0 H LYS A 226 31.621 -21.194 21.387 1.00 0.00 H new ATOM 0 HA LYS A 226 32.927 -18.690 21.209 1.00 0.00 H new ATOM 0 HB2 LYS A 226 33.309 -20.703 19.729 1.00 0.00 H new ATOM 0 HB3 LYS A 226 31.732 -20.445 19.009 1.00 0.00 H new ATOM 0 HG2 LYS A 226 32.429 -18.146 18.289 1.00 0.00 H new ATOM 0 HG3 LYS A 226 34.000 -18.386 19.026 1.00 0.00 H new ATOM 0 HD2 LYS A 226 34.411 -20.350 17.518 1.00 0.00 H new ATOM 0 HD3 LYS A 226 32.837 -20.117 16.784 1.00 0.00 H new ATOM 0 HE2 LYS A 226 34.519 -19.028 15.367 1.00 0.00 H new ATOM 0 HE3 LYS A 226 33.525 -17.784 16.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 36.053 -17.506 16.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 35.186 -17.238 17.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 36.028 -18.696 17.409 1.00 0.00 H new ATOM 358 N GLU A 227 29.742 -18.771 20.446 1.00 0.00 N ATOM 359 CA GLU A 227 28.586 -17.939 20.132 1.00 0.00 C ATOM 360 C GLU A 227 28.437 -16.819 21.158 1.00 0.00 C ATOM 361 O GLU A 227 28.025 -15.709 20.824 1.00 0.00 O ATOM 362 CB GLU A 227 27.317 -18.795 20.120 1.00 0.00 C ATOM 363 CG GLU A 227 26.146 -17.969 19.577 1.00 0.00 C ATOM 364 CD GLU A 227 26.334 -17.720 18.085 1.00 0.00 C ATOM 365 OE1 GLU A 227 27.240 -18.306 17.514 1.00 0.00 O ATOM 366 OE2 GLU A 227 25.573 -16.945 17.533 1.00 0.00 O ATOM 0 H GLU A 227 29.520 -19.742 20.664 1.00 0.00 H new ATOM 0 HA GLU A 227 28.736 -17.496 19.147 1.00 0.00 H new ATOM 0 HB2 GLU A 227 27.469 -19.680 19.502 1.00 0.00 H new ATOM 0 HB3 GLU A 227 27.092 -19.145 21.128 1.00 0.00 H new ATOM 0 HG2 GLU A 227 25.207 -18.495 19.751 1.00 0.00 H new ATOM 0 HG3 GLU A 227 26.083 -17.019 20.108 1.00 0.00 H new ATOM 373 N MET A 228 28.763 -17.121 22.410 1.00 0.00 N ATOM 374 CA MET A 228 28.652 -16.134 23.477 1.00 0.00 C ATOM 375 C MET A 228 29.597 -14.963 23.231 1.00 0.00 C ATOM 376 O MET A 228 29.242 -13.807 23.466 1.00 0.00 O ATOM 377 CB MET A 228 28.980 -16.782 24.824 1.00 0.00 C ATOM 378 CG MET A 228 27.812 -17.665 25.264 1.00 0.00 C ATOM 379 SD MET A 228 28.199 -18.425 26.860 1.00 0.00 S ATOM 380 CE MET A 228 26.794 -19.567 26.919 1.00 0.00 C ATOM 0 H MET A 228 29.104 -18.035 22.709 1.00 0.00 H new ATOM 0 HA MET A 228 27.628 -15.760 23.492 1.00 0.00 H new ATOM 0 HB2 MET A 228 29.889 -17.378 24.741 1.00 0.00 H new ATOM 0 HB3 MET A 228 29.170 -16.013 25.573 1.00 0.00 H new ATOM 0 HG2 MET A 228 26.902 -17.070 25.343 1.00 0.00 H new ATOM 0 HG3 MET A 228 27.624 -18.437 24.518 1.00 0.00 H new ATOM 0 HE1 MET A 228 26.624 -19.882 27.949 1.00 0.00 H new ATOM 0 HE2 MET A 228 25.902 -19.067 26.541 1.00 0.00 H new ATOM 0 HE3 MET A 228 27.009 -20.440 26.303 1.00 0.00 H new ATOM 390 N GLU A 229 30.800 -15.268 22.761 1.00 0.00 N ATOM 391 CA GLU A 229 31.787 -14.229 22.490 1.00 0.00 C ATOM 392 C GLU A 229 31.345 -13.369 21.312 1.00 0.00 C ATOM 393 O GLU A 229 31.814 -12.245 21.141 1.00 0.00 O ATOM 394 CB GLU A 229 33.145 -14.863 22.183 1.00 0.00 C ATOM 395 CG GLU A 229 33.707 -15.510 23.452 1.00 0.00 C ATOM 396 CD GLU A 229 35.031 -16.200 23.142 1.00 0.00 C ATOM 397 OE1 GLU A 229 35.468 -16.117 22.005 1.00 0.00 O ATOM 398 OE2 GLU A 229 35.588 -16.800 24.045 1.00 0.00 O ATOM 0 H GLU A 229 31.115 -16.217 22.561 1.00 0.00 H new ATOM 0 HA GLU A 229 31.876 -13.598 23.374 1.00 0.00 H new ATOM 0 HB2 GLU A 229 33.039 -15.611 21.397 1.00 0.00 H new ATOM 0 HB3 GLU A 229 33.836 -14.106 21.812 1.00 0.00 H new ATOM 0 HG2 GLU A 229 33.854 -14.753 24.222 1.00 0.00 H new ATOM 0 HG3 GLU A 229 32.994 -16.233 23.848 1.00 0.00 H new ATOM 405 N GLY A 230 30.439 -13.908 20.504 1.00 0.00 N ATOM 406 CA GLY A 230 29.940 -13.181 19.342 1.00 0.00 C ATOM 407 C GLY A 230 29.211 -11.911 19.768 1.00 0.00 C ATOM 408 O GLY A 230 28.463 -11.911 20.744 1.00 0.00 O ATOM 0 H GLY A 230 30.038 -14.837 20.630 1.00 0.00 H new ATOM 0 HA2 GLY A 230 30.770 -12.925 18.684 1.00 0.00 H new ATOM 0 HA3 GLY A 230 29.265 -13.819 18.771 1.00 0.00 H new ATOM 437 N GLU A 233 29.841 -7.018 24.269 1.00 0.00 N ATOM 438 CA GLU A 233 29.522 -5.665 24.713 1.00 0.00 C ATOM 439 C GLU A 233 30.795 -4.850 24.921 1.00 0.00 C ATOM 440 O GLU A 233 30.741 -3.642 25.153 1.00 0.00 O ATOM 441 CB GLU A 233 28.728 -5.723 26.020 1.00 0.00 C ATOM 442 CG GLU A 233 29.544 -6.463 27.090 1.00 0.00 C ATOM 443 CD GLU A 233 30.594 -5.533 27.687 1.00 0.00 C ATOM 444 OE1 GLU A 233 30.295 -4.362 27.854 1.00 0.00 O ATOM 445 OE2 GLU A 233 31.689 -6.002 27.954 1.00 0.00 O ATOM 0 HA GLU A 233 28.922 -5.181 23.942 1.00 0.00 H new ATOM 0 HB2 GLU A 233 28.495 -4.714 26.360 1.00 0.00 H new ATOM 0 HB3 GLU A 233 27.778 -6.232 25.857 1.00 0.00 H new ATOM 0 HG2 GLU A 233 28.882 -6.828 27.875 1.00 0.00 H new ATOM 0 HG3 GLU A 233 30.028 -7.335 26.650 1.00 0.00 H new ATOM 452 N ILE A 234 31.940 -5.522 24.851 1.00 0.00 N ATOM 453 CA ILE A 234 33.225 -4.856 25.046 1.00 0.00 C ATOM 454 C ILE A 234 33.377 -3.686 24.078 1.00 0.00 C ATOM 455 O ILE A 234 34.203 -2.799 24.287 1.00 0.00 O ATOM 456 CB ILE A 234 34.364 -5.852 24.828 1.00 0.00 C ATOM 457 CG1 ILE A 234 34.282 -6.958 25.882 1.00 0.00 C ATOM 458 CG2 ILE A 234 35.706 -5.128 24.955 1.00 0.00 C ATOM 459 CD1 ILE A 234 35.242 -8.090 25.513 1.00 0.00 C ATOM 0 H ILE A 234 32.005 -6.522 24.662 1.00 0.00 H new ATOM 0 HA ILE A 234 33.264 -4.474 26.066 1.00 0.00 H new ATOM 0 HB ILE A 234 34.279 -6.289 23.833 1.00 0.00 H new ATOM 0 HG12 ILE A 234 34.535 -6.558 26.864 1.00 0.00 H new ATOM 0 HG13 ILE A 234 33.263 -7.338 25.946 1.00 0.00 H new ATOM 0 HG21 ILE A 234 36.518 -5.838 24.800 1.00 0.00 H new ATOM 0 HG22 ILE A 234 35.766 -4.338 24.206 1.00 0.00 H new ATOM 0 HG23 ILE A 234 35.791 -4.691 25.950 1.00 0.00 H new ATOM 0 HD11 ILE A 234 35.183 -8.877 26.265 1.00 0.00 H new ATOM 0 HD12 ILE A 234 34.968 -8.497 24.539 1.00 0.00 H new ATOM 0 HD13 ILE A 234 36.261 -7.704 25.471 1.00 0.00 H new ATOM 471 N LYS A 235 32.578 -3.692 23.016 1.00 0.00 N ATOM 472 CA LYS A 235 32.638 -2.625 22.021 1.00 0.00 C ATOM 473 C LYS A 235 32.219 -1.297 22.642 1.00 0.00 C ATOM 474 O LYS A 235 32.755 -0.243 22.301 1.00 0.00 O ATOM 475 CB LYS A 235 31.715 -2.958 20.848 1.00 0.00 C ATOM 476 CG LYS A 235 30.270 -3.064 21.344 1.00 0.00 C ATOM 477 CD LYS A 235 29.370 -3.537 20.201 1.00 0.00 C ATOM 478 CE LYS A 235 27.930 -3.656 20.700 1.00 0.00 C ATOM 479 NZ LYS A 235 27.059 -4.151 19.597 1.00 0.00 N ATOM 0 H LYS A 235 31.887 -4.417 22.822 1.00 0.00 H new ATOM 0 HA LYS A 235 33.664 -2.539 21.662 1.00 0.00 H new ATOM 0 HB2 LYS A 235 31.791 -2.186 20.082 1.00 0.00 H new ATOM 0 HB3 LYS A 235 32.021 -3.897 20.386 1.00 0.00 H new ATOM 0 HG2 LYS A 235 30.212 -3.762 22.179 1.00 0.00 H new ATOM 0 HG3 LYS A 235 29.929 -2.096 21.713 1.00 0.00 H new ATOM 0 HD2 LYS A 235 29.421 -2.834 19.370 1.00 0.00 H new ATOM 0 HD3 LYS A 235 29.717 -4.500 19.826 1.00 0.00 H new ATOM 0 HE2 LYS A 235 27.884 -4.339 21.548 1.00 0.00 H new ATOM 0 HE3 LYS A 235 27.575 -2.687 21.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 26.080 -4.232 19.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 27.095 -3.484 18.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 27.394 -5.084 19.282 1.00 0.00 H new ATOM 493 N SER A 236 31.259 -1.360 23.557 1.00 0.00 N ATOM 494 CA SER A 236 30.774 -0.160 24.227 1.00 0.00 C ATOM 495 C SER A 236 31.891 0.486 25.040 1.00 0.00 C ATOM 496 O SER A 236 32.051 1.707 25.031 1.00 0.00 O ATOM 497 CB SER A 236 29.603 -0.515 25.146 1.00 0.00 C ATOM 498 OG SER A 236 29.137 0.662 25.794 1.00 0.00 O ATOM 0 H SER A 236 30.803 -2.224 23.851 1.00 0.00 H new ATOM 0 HA SER A 236 30.437 0.549 23.471 1.00 0.00 H new ATOM 0 HB2 SER A 236 28.798 -0.968 24.568 1.00 0.00 H new ATOM 0 HB3 SER A 236 29.917 -1.251 25.886 1.00 0.00 H new ATOM 0 HG SER A 236 28.386 0.436 26.382 1.00 0.00 H new ATOM 504 N LYS A 237 32.655 -0.338 25.746 1.00 0.00 N ATOM 505 CA LYS A 237 33.752 0.163 26.566 1.00 0.00 C ATOM 506 C LYS A 237 34.819 0.815 25.697 1.00 0.00 C ATOM 507 O LYS A 237 35.513 1.734 26.129 1.00 0.00 O ATOM 508 CB LYS A 237 34.368 -0.978 27.372 1.00 0.00 C ATOM 509 CG LYS A 237 35.397 -0.410 28.352 1.00 0.00 C ATOM 510 CD LYS A 237 35.925 -1.531 29.245 1.00 0.00 C ATOM 511 CE LYS A 237 36.925 -0.955 30.250 1.00 0.00 C ATOM 512 NZ LYS A 237 38.129 -0.463 29.526 1.00 0.00 N ATOM 0 H LYS A 237 32.537 -1.351 25.768 1.00 0.00 H new ATOM 0 HA LYS A 237 33.354 0.912 27.250 1.00 0.00 H new ATOM 0 HB2 LYS A 237 33.591 -1.516 27.915 1.00 0.00 H new ATOM 0 HB3 LYS A 237 34.844 -1.695 26.703 1.00 0.00 H new ATOM 0 HG2 LYS A 237 36.219 0.051 27.805 1.00 0.00 H new ATOM 0 HG3 LYS A 237 34.942 0.371 28.961 1.00 0.00 H new ATOM 0 HD2 LYS A 237 35.100 -2.010 29.771 1.00 0.00 H new ATOM 0 HD3 LYS A 237 36.405 -2.299 28.638 1.00 0.00 H new ATOM 0 HE2 LYS A 237 36.466 -0.140 30.810 1.00 0.00 H new ATOM 0 HE3 LYS A 237 37.210 -1.718 30.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 38.913 -0.342 30.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 38.402 -1.153 28.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 37.915 0.450 29.076 1.00 0.00 H new ATOM 526 N ARG A 238 34.952 0.326 24.471 1.00 0.00 N ATOM 527 CA ARG A 238 35.943 0.865 23.552 1.00 0.00 C ATOM 528 C ARG A 238 35.663 2.337 23.290 1.00 0.00 C ATOM 529 O ARG A 238 36.583 3.147 23.175 1.00 0.00 O ATOM 530 CB ARG A 238 35.903 0.091 22.229 1.00 0.00 C ATOM 531 CG ARG A 238 37.133 0.453 21.373 1.00 0.00 C ATOM 532 CD ARG A 238 38.309 -0.456 21.745 1.00 0.00 C ATOM 533 NE ARG A 238 39.469 -0.130 20.932 1.00 0.00 N ATOM 534 CZ ARG A 238 40.563 -0.880 20.973 1.00 0.00 C ATOM 535 NH1 ARG A 238 40.614 -1.917 21.764 1.00 0.00 N ATOM 536 NH2 ARG A 238 41.588 -0.577 20.225 1.00 0.00 N ATOM 0 H ARG A 238 34.390 -0.437 24.093 1.00 0.00 H new ATOM 0 HA ARG A 238 36.932 0.762 24.000 1.00 0.00 H new ATOM 0 HB2 ARG A 238 35.888 -0.981 22.425 1.00 0.00 H new ATOM 0 HB3 ARG A 238 34.988 0.329 21.686 1.00 0.00 H new ATOM 0 HG2 ARG A 238 36.896 0.342 20.315 1.00 0.00 H new ATOM 0 HG3 ARG A 238 37.404 1.497 21.532 1.00 0.00 H new ATOM 0 HD2 ARG A 238 38.551 -0.337 22.801 1.00 0.00 H new ATOM 0 HD3 ARG A 238 38.033 -1.500 21.597 1.00 0.00 H new ATOM 0 HE ARG A 238 39.442 0.687 20.321 1.00 0.00 H new ATOM 0 HH11 ARG A 238 39.813 -2.151 22.351 1.00 0.00 H new ATOM 0 HH12 ARG A 238 41.455 -2.494 21.796 1.00 0.00 H new ATOM 0 HH21 ARG A 238 41.548 0.236 19.610 1.00 0.00 H new ATOM 0 HH22 ARG A 238 42.430 -1.153 20.256 1.00 0.00 H new ATOM 550 N ARG A 239 34.384 2.672 23.189 1.00 0.00 N ATOM 551 CA ARG A 239 33.981 4.049 22.933 1.00 0.00 C ATOM 552 C ARG A 239 34.438 4.962 24.063 1.00 0.00 C ATOM 553 O ARG A 239 34.906 6.074 23.822 1.00 0.00 O ATOM 554 CB ARG A 239 32.457 4.118 22.806 1.00 0.00 C ATOM 555 CG ARG A 239 32.004 3.272 21.610 1.00 0.00 C ATOM 556 CD ARG A 239 32.488 3.911 20.299 1.00 0.00 C ATOM 557 NE ARG A 239 31.618 3.524 19.202 1.00 0.00 N ATOM 558 CZ ARG A 239 30.375 3.985 19.117 1.00 0.00 C ATOM 559 NH1 ARG A 239 29.911 4.788 20.035 1.00 0.00 N ATOM 560 NH2 ARG A 239 29.618 3.633 18.114 1.00 0.00 N ATOM 0 H ARG A 239 33.611 2.013 23.280 1.00 0.00 H new ATOM 0 HA ARG A 239 34.446 4.383 22.006 1.00 0.00 H new ATOM 0 HB2 ARG A 239 31.989 3.754 23.720 1.00 0.00 H new ATOM 0 HB3 ARG A 239 32.139 5.152 22.675 1.00 0.00 H new ATOM 0 HG2 ARG A 239 32.400 2.261 21.699 1.00 0.00 H new ATOM 0 HG3 ARG A 239 30.917 3.189 21.604 1.00 0.00 H new ATOM 0 HD2 ARG A 239 32.500 4.996 20.398 1.00 0.00 H new ATOM 0 HD3 ARG A 239 33.511 3.598 20.089 1.00 0.00 H new ATOM 0 HE ARG A 239 31.967 2.888 18.485 1.00 0.00 H new ATOM 0 HH11 ARG A 239 30.503 5.062 20.819 1.00 0.00 H new ATOM 0 HH12 ARG A 239 28.956 5.141 19.968 1.00 0.00 H new ATOM 0 HH21 ARG A 239 29.981 3.005 17.397 1.00 0.00 H new ATOM 0 HH22 ARG A 239 28.663 3.986 18.047 1.00 0.00 H new ATOM 574 N GLN A 240 34.296 4.492 25.295 1.00 0.00 N ATOM 575 CA GLN A 240 34.698 5.281 26.454 1.00 0.00 C ATOM 576 C GLN A 240 36.208 5.492 26.460 1.00 0.00 C ATOM 577 O GLN A 240 36.698 6.507 26.945 1.00 0.00 O ATOM 578 CB GLN A 240 34.276 4.569 27.739 1.00 0.00 C ATOM 579 CG GLN A 240 34.539 5.478 28.941 1.00 0.00 C ATOM 580 CD GLN A 240 34.077 4.789 30.221 1.00 0.00 C ATOM 581 OE1 GLN A 240 33.280 3.853 30.169 1.00 0.00 O ATOM 582 NE2 GLN A 240 34.532 5.199 31.374 1.00 0.00 N ATOM 0 H GLN A 240 33.908 3.575 25.518 1.00 0.00 H new ATOM 0 HA GLN A 240 34.207 6.253 26.398 1.00 0.00 H new ATOM 0 HB2 GLN A 240 33.219 4.309 27.692 1.00 0.00 H new ATOM 0 HB3 GLN A 240 34.829 3.636 27.848 1.00 0.00 H new ATOM 0 HG2 GLN A 240 35.602 5.712 29.006 1.00 0.00 H new ATOM 0 HG3 GLN A 240 34.012 6.424 28.816 1.00 0.00 H new ATOM 0 HE21 GLN A 240 35.193 5.975 31.415 1.00 0.00 H new ATOM 0 HE22 GLN A 240 34.227 4.743 32.234 1.00 0.00 H new ATOM 591 N PHE A 241 36.941 4.524 25.926 1.00 0.00 N ATOM 592 CA PHE A 241 38.395 4.612 25.883 1.00 0.00 C ATOM 593 C PHE A 241 38.835 5.795 25.028 1.00 0.00 C ATOM 594 O PHE A 241 39.748 6.533 25.397 1.00 0.00 O ATOM 595 CB PHE A 241 38.983 3.320 25.317 1.00 0.00 C ATOM 596 CG PHE A 241 40.489 3.356 25.436 1.00 0.00 C ATOM 597 CD1 PHE A 241 41.096 3.165 26.684 1.00 0.00 C ATOM 598 CD2 PHE A 241 41.277 3.582 24.302 1.00 0.00 C ATOM 599 CE1 PHE A 241 42.491 3.195 26.795 1.00 0.00 C ATOM 600 CE2 PHE A 241 42.672 3.612 24.413 1.00 0.00 C ATOM 601 CZ PHE A 241 43.279 3.420 25.661 1.00 0.00 C ATOM 0 H PHE A 241 36.555 3.672 25.518 1.00 0.00 H new ATOM 0 HA PHE A 241 38.761 4.758 26.899 1.00 0.00 H new ATOM 0 HB2 PHE A 241 38.586 2.460 25.857 1.00 0.00 H new ATOM 0 HB3 PHE A 241 38.693 3.203 24.273 1.00 0.00 H new ATOM 0 HD1 PHE A 241 40.488 2.995 27.560 1.00 0.00 H new ATOM 0 HD2 PHE A 241 40.809 3.733 23.341 1.00 0.00 H new ATOM 0 HE1 PHE A 241 42.959 3.044 27.756 1.00 0.00 H new ATOM 0 HE2 PHE A 241 43.280 3.783 23.537 1.00 0.00 H new ATOM 0 HZ PHE A 241 44.355 3.446 25.748 1.00 0.00 H new ATOM 611 N HIS A 242 38.183 5.966 23.883 1.00 0.00 N ATOM 612 CA HIS A 242 38.517 7.063 22.982 1.00 0.00 C ATOM 613 C HIS A 242 38.735 8.353 23.765 1.00 0.00 C ATOM 614 O HIS A 242 39.413 9.262 23.296 1.00 0.00 O ATOM 615 CB HIS A 242 37.392 7.265 21.965 1.00 0.00 C ATOM 616 CG HIS A 242 37.396 6.132 20.975 1.00 0.00 C ATOM 617 ND1 HIS A 242 36.784 4.916 21.241 1.00 0.00 N ATOM 618 CD2 HIS A 242 37.936 6.015 19.719 1.00 0.00 C ATOM 619 CE1 HIS A 242 36.970 4.127 20.165 1.00 0.00 C ATOM 620 NE2 HIS A 242 37.666 4.747 19.209 1.00 0.00 N ATOM 0 H HIS A 242 37.426 5.364 23.559 1.00 0.00 H new ATOM 0 HA HIS A 242 39.439 6.810 22.458 1.00 0.00 H new ATOM 0 HB2 HIS A 242 36.430 7.311 22.476 1.00 0.00 H new ATOM 0 HB3 HIS A 242 37.523 8.215 21.446 1.00 0.00 H new ATOM 0 HD1 HIS A 242 36.285 4.665 22.094 1.00 0.00 H new ATOM 0 HD2 HIS A 242 38.487 6.788 19.204 1.00 0.00 H new ATOM 0 HE1 HIS A 242 36.601 3.115 20.085 1.00 0.00 H new ATOM 628 N GLN A 243 38.159 8.418 24.961 1.00 0.00 N ATOM 629 CA GLN A 243 38.303 9.598 25.806 1.00 0.00 C ATOM 630 C GLN A 243 39.737 9.725 26.313 1.00 0.00 C ATOM 631 O GLN A 243 40.277 10.827 26.409 1.00 0.00 O ATOM 632 CB GLN A 243 37.346 9.512 26.995 1.00 0.00 C ATOM 633 CG GLN A 243 35.901 9.545 26.490 1.00 0.00 C ATOM 634 CD GLN A 243 34.935 9.458 27.665 1.00 0.00 C ATOM 635 OE1 GLN A 243 35.085 10.184 28.646 1.00 0.00 O ATOM 636 NE2 GLN A 243 33.949 8.604 27.625 1.00 0.00 N ATOM 0 H GLN A 243 37.592 7.673 25.365 1.00 0.00 H new ATOM 0 HA GLN A 243 38.061 10.478 25.209 1.00 0.00 H new ATOM 0 HB2 GLN A 243 37.526 8.594 27.555 1.00 0.00 H new ATOM 0 HB3 GLN A 243 37.523 10.342 27.679 1.00 0.00 H new ATOM 0 HG2 GLN A 243 35.724 10.463 25.930 1.00 0.00 H new ATOM 0 HG3 GLN A 243 35.728 8.716 25.804 1.00 0.00 H new ATOM 0 HE21 GLN A 243 33.827 8.003 26.810 1.00 0.00 H new ATOM 0 HE22 GLN A 243 33.300 8.537 28.409 1.00 0.00 H new ATOM 645 N GLU A 244 40.346 8.590 26.640 1.00 0.00 N ATOM 646 CA GLU A 244 41.717 8.583 27.142 1.00 0.00 C ATOM 647 C GLU A 244 42.678 9.070 26.067 1.00 0.00 C ATOM 648 O GLU A 244 43.806 9.462 26.359 1.00 0.00 O ATOM 649 CB GLU A 244 42.107 7.171 27.580 1.00 0.00 C ATOM 650 CG GLU A 244 41.192 6.712 28.717 1.00 0.00 C ATOM 651 CD GLU A 244 41.482 7.515 29.981 1.00 0.00 C ATOM 652 OE1 GLU A 244 42.462 8.242 29.989 1.00 0.00 O ATOM 653 OE2 GLU A 244 40.724 7.386 30.928 1.00 0.00 O ATOM 0 H GLU A 244 39.916 7.668 26.567 1.00 0.00 H new ATOM 0 HA GLU A 244 41.776 9.255 27.999 1.00 0.00 H new ATOM 0 HB2 GLU A 244 42.029 6.484 26.737 1.00 0.00 H new ATOM 0 HB3 GLU A 244 43.146 7.156 27.908 1.00 0.00 H new ATOM 0 HG2 GLU A 244 40.149 6.839 28.428 1.00 0.00 H new ATOM 0 HG3 GLU A 244 41.343 5.650 28.909 1.00 0.00 H new ATOM 660 N ILE A 245 42.223 9.045 24.821 1.00 0.00 N ATOM 661 CA ILE A 245 43.052 9.486 23.708 1.00 0.00 C ATOM 662 C ILE A 245 43.824 10.752 24.073 1.00 0.00 C ATOM 663 O ILE A 245 44.879 11.038 23.504 1.00 0.00 O ATOM 664 CB ILE A 245 42.173 9.764 22.481 1.00 0.00 C ATOM 665 CG1 ILE A 245 43.064 10.011 21.254 1.00 0.00 C ATOM 666 CG2 ILE A 245 41.301 10.996 22.737 1.00 0.00 C ATOM 667 CD1 ILE A 245 43.853 8.737 20.911 1.00 0.00 C ATOM 0 H ILE A 245 41.291 8.726 24.557 1.00 0.00 H new ATOM 0 HA ILE A 245 43.765 8.694 23.480 1.00 0.00 H new ATOM 0 HB ILE A 245 41.532 8.902 22.296 1.00 0.00 H new ATOM 0 HG12 ILE A 245 42.451 10.309 20.403 1.00 0.00 H new ATOM 0 HG13 ILE A 245 43.752 10.832 21.454 1.00 0.00 H new ATOM 0 HG21 ILE A 245 40.679 11.189 21.863 1.00 0.00 H new ATOM 0 HG22 ILE A 245 40.664 10.817 23.603 1.00 0.00 H new ATOM 0 HG23 ILE A 245 41.938 11.860 22.927 1.00 0.00 H new ATOM 0 HD11 ILE A 245 44.482 8.922 20.040 1.00 0.00 H new ATOM 0 HD12 ILE A 245 44.480 8.458 21.758 1.00 0.00 H new ATOM 0 HD13 ILE A 245 43.158 7.927 20.691 1.00 0.00 H new ATOM 679 N GLN A 246 43.288 11.509 25.023 1.00 0.00 N ATOM 680 CA GLN A 246 43.932 12.744 25.451 1.00 0.00 C ATOM 681 C GLN A 246 45.335 12.464 25.981 1.00 0.00 C ATOM 682 O GLN A 246 46.278 13.195 25.680 1.00 0.00 O ATOM 683 CB GLN A 246 43.100 13.413 26.548 1.00 0.00 C ATOM 684 CG GLN A 246 41.790 13.933 25.954 1.00 0.00 C ATOM 685 CD GLN A 246 40.926 14.545 27.051 1.00 0.00 C ATOM 686 OE1 GLN A 246 40.567 13.865 28.012 1.00 0.00 O ATOM 687 NE2 GLN A 246 40.566 15.797 26.963 1.00 0.00 N ATOM 0 H GLN A 246 42.417 11.292 25.508 1.00 0.00 H new ATOM 0 HA GLN A 246 44.006 13.408 24.590 1.00 0.00 H new ATOM 0 HB2 GLN A 246 42.891 12.700 27.346 1.00 0.00 H new ATOM 0 HB3 GLN A 246 43.661 14.235 26.993 1.00 0.00 H new ATOM 0 HG2 GLN A 246 42.000 14.678 25.187 1.00 0.00 H new ATOM 0 HG3 GLN A 246 41.253 13.118 25.469 1.00 0.00 H new ATOM 0 HE21 GLN A 246 40.865 16.359 26.166 1.00 0.00 H new ATOM 0 HE22 GLN A 246 39.986 16.213 27.692 1.00 0.00 H new ATOM 696 N SER A 247 45.464 11.405 26.772 1.00 0.00 N ATOM 697 CA SER A 247 46.759 11.042 27.341 1.00 0.00 C ATOM 698 C SER A 247 47.745 10.676 26.240 1.00 0.00 C ATOM 699 O SER A 247 48.923 11.026 26.310 1.00 0.00 O ATOM 700 CB SER A 247 46.599 9.864 28.299 1.00 0.00 C ATOM 701 OG SER A 247 45.864 10.286 29.439 1.00 0.00 O ATOM 0 H SER A 247 44.696 10.787 27.033 1.00 0.00 H new ATOM 0 HA SER A 247 47.146 11.902 27.888 1.00 0.00 H new ATOM 0 HB2 SER A 247 46.082 9.043 27.802 1.00 0.00 H new ATOM 0 HB3 SER A 247 47.577 9.489 28.600 1.00 0.00 H new ATOM 0 HG SER A 247 45.757 9.533 30.057 1.00 0.00 H new ATOM 707 N ARG A 248 47.259 9.972 25.223 1.00 0.00 N ATOM 708 CA ARG A 248 48.104 9.558 24.101 1.00 0.00 C ATOM 709 C ARG A 248 47.776 10.372 22.858 1.00 0.00 C ATOM 710 O ARG A 248 47.873 9.876 21.736 1.00 0.00 O ATOM 711 CB ARG A 248 47.904 8.072 23.813 1.00 0.00 C ATOM 712 CG ARG A 248 48.420 7.246 24.995 1.00 0.00 C ATOM 713 CD ARG A 248 48.156 5.764 24.736 1.00 0.00 C ATOM 714 NE ARG A 248 48.910 5.312 23.571 1.00 0.00 N ATOM 715 CZ ARG A 248 48.773 4.079 23.101 1.00 0.00 C ATOM 716 NH1 ARG A 248 47.954 3.247 23.681 1.00 0.00 N ATOM 717 NH2 ARG A 248 49.456 3.698 22.054 1.00 0.00 N ATOM 0 H ARG A 248 46.286 9.675 25.150 1.00 0.00 H new ATOM 0 HA ARG A 248 49.145 9.733 24.371 1.00 0.00 H new ATOM 0 HB2 ARG A 248 46.848 7.863 23.644 1.00 0.00 H new ATOM 0 HB3 ARG A 248 48.434 7.793 22.902 1.00 0.00 H new ATOM 0 HG2 ARG A 248 49.488 7.417 25.133 1.00 0.00 H new ATOM 0 HG3 ARG A 248 47.925 7.559 25.914 1.00 0.00 H new ATOM 0 HD2 ARG A 248 48.439 5.179 25.611 1.00 0.00 H new ATOM 0 HD3 ARG A 248 47.091 5.600 24.574 1.00 0.00 H new ATOM 0 HE ARG A 248 49.554 5.955 23.110 1.00 0.00 H new ATOM 0 HH11 ARG A 248 47.418 3.544 24.497 1.00 0.00 H new ATOM 0 HH12 ARG A 248 47.849 2.299 23.319 1.00 0.00 H new ATOM 0 HH21 ARG A 248 50.095 4.349 21.597 1.00 0.00 H new ATOM 0 HH22 ARG A 248 49.350 2.750 21.693 1.00 0.00 H new