USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=6 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 Set 1.1: A 242 HIS : no HD1:sc= -0.0221 X(o=-0.24,f=-0.52) USER MOD Set 1.2: A 246 GLN : amide:sc= -0.218 X(o=-0.24,f=-0.26) USER MOD Single : A 217 SER OG : rot 33:sc= 0.184 USER MOD Single : A 218 LYS NZ :NH3+ -163:sc= -0.0254 (180deg=-0.378) USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 TYR OH : rot 180:sc= -0.365 USER MOD Single : A 226 LYS NZ :NH3+ -166:sc=-0.00576 (180deg=-0.218) USER MOD Single : A 228 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 SER OG : rot -180:sc= -0.229 USER MOD Single : A 237 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 GLN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 243 GLN : amide:sc= -4.64! C(o=-4.6!,f=-4.3!) USER MOD Single : A 247 SER OG : rot -66:sc= 0.74 USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 217 45.367 9.112 6.096 1.00 0.00 N ATOM 176 CA SER A 217 45.534 8.103 7.133 1.00 0.00 C ATOM 177 C SER A 217 44.508 8.304 8.245 1.00 0.00 C ATOM 178 O SER A 217 43.969 7.340 8.787 1.00 0.00 O ATOM 179 CB SER A 217 46.944 8.181 7.717 1.00 0.00 C ATOM 180 OG SER A 217 47.894 8.091 6.663 1.00 0.00 O ATOM 0 HA SER A 217 45.382 7.121 6.686 1.00 0.00 H new ATOM 0 HB2 SER A 217 47.074 9.117 8.260 1.00 0.00 H new ATOM 0 HB3 SER A 217 47.099 7.373 8.432 1.00 0.00 H new ATOM 0 HG SER A 217 47.528 8.510 5.856 1.00 0.00 H new ATOM 186 N LYS A 218 44.245 9.563 8.579 1.00 0.00 N ATOM 187 CA LYS A 218 43.283 9.878 9.627 1.00 0.00 C ATOM 188 C LYS A 218 41.898 9.356 9.260 1.00 0.00 C ATOM 189 O LYS A 218 41.212 8.756 10.087 1.00 0.00 O ATOM 190 CB LYS A 218 43.219 11.393 9.838 1.00 0.00 C ATOM 191 CG LYS A 218 42.300 11.706 11.021 1.00 0.00 C ATOM 192 CD LYS A 218 42.329 13.208 11.307 1.00 0.00 C ATOM 193 CE LYS A 218 41.437 13.517 12.510 1.00 0.00 C ATOM 194 NZ LYS A 218 40.016 13.236 12.157 1.00 0.00 N ATOM 0 H LYS A 218 44.681 10.375 8.143 1.00 0.00 H new ATOM 0 HA LYS A 218 43.608 9.395 10.548 1.00 0.00 H new ATOM 0 HB2 LYS A 218 44.218 11.787 10.026 1.00 0.00 H new ATOM 0 HB3 LYS A 218 42.848 11.881 8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 218 41.282 11.387 10.798 1.00 0.00 H new ATOM 0 HG3 LYS A 218 42.622 11.151 11.902 1.00 0.00 H new ATOM 0 HD2 LYS A 218 43.351 13.531 11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 218 41.984 13.762 10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 218 41.738 12.911 13.365 1.00 0.00 H new ATOM 0 HE3 LYS A 218 41.551 14.561 12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 39.389 13.703 12.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 39.817 13.599 11.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 39.849 12.210 12.179 1.00 0.00 H new ATOM 208 N ASP A 219 41.495 9.587 8.017 1.00 0.00 N ATOM 209 CA ASP A 219 40.191 9.135 7.551 1.00 0.00 C ATOM 210 C ASP A 219 40.136 7.610 7.504 1.00 0.00 C ATOM 211 O ASP A 219 39.076 7.012 7.680 1.00 0.00 O ATOM 212 CB ASP A 219 39.907 9.700 6.157 1.00 0.00 C ATOM 213 CG ASP A 219 39.663 11.203 6.245 1.00 0.00 C ATOM 214 OD1 ASP A 219 39.539 11.699 7.354 1.00 0.00 O ATOM 215 OD2 ASP A 219 39.607 11.837 5.204 1.00 0.00 O ATOM 0 H ASP A 219 42.049 10.082 7.317 1.00 0.00 H new ATOM 0 HA ASP A 219 39.435 9.494 8.249 1.00 0.00 H new ATOM 0 HB2 ASP A 219 40.749 9.498 5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 219 39.036 9.206 5.726 1.00 0.00 H new ATOM 220 N GLU A 220 41.285 6.990 7.251 1.00 0.00 N ATOM 221 CA GLU A 220 41.353 5.535 7.170 1.00 0.00 C ATOM 222 C GLU A 220 40.996 4.903 8.510 1.00 0.00 C ATOM 223 O GLU A 220 40.129 4.032 8.584 1.00 0.00 O ATOM 224 CB GLU A 220 42.761 5.102 6.757 1.00 0.00 C ATOM 225 CG GLU A 220 42.795 3.585 6.569 1.00 0.00 C ATOM 226 CD GLU A 220 44.170 3.151 6.071 1.00 0.00 C ATOM 227 OE1 GLU A 220 45.080 3.961 6.123 1.00 0.00 O ATOM 228 OE2 GLU A 220 44.290 2.016 5.641 1.00 0.00 O ATOM 0 H GLU A 220 42.174 7.467 7.100 1.00 0.00 H new ATOM 0 HA GLU A 220 40.634 5.198 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 220 43.049 5.600 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 220 43.482 5.401 7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 220 42.567 3.088 7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 220 42.029 3.282 5.856 1.00 0.00 H new ATOM 235 N ILE A 221 41.662 5.354 9.567 1.00 0.00 N ATOM 236 CA ILE A 221 41.401 4.830 10.902 1.00 0.00 C ATOM 237 C ILE A 221 39.998 5.207 11.363 1.00 0.00 C ATOM 238 O ILE A 221 39.391 4.511 12.178 1.00 0.00 O ATOM 239 CB ILE A 221 42.433 5.378 11.889 1.00 0.00 C ATOM 240 CG1 ILE A 221 42.446 6.908 11.813 1.00 0.00 C ATOM 241 CG2 ILE A 221 43.819 4.838 11.533 1.00 0.00 C ATOM 242 CD1 ILE A 221 43.327 7.467 12.930 1.00 0.00 C ATOM 0 H ILE A 221 42.381 6.076 9.526 1.00 0.00 H new ATOM 0 HA ILE A 221 41.476 3.743 10.866 1.00 0.00 H new ATOM 0 HB ILE A 221 42.172 5.065 12.900 1.00 0.00 H new ATOM 0 HG12 ILE A 221 42.822 7.231 10.842 1.00 0.00 H new ATOM 0 HG13 ILE A 221 41.432 7.296 11.907 1.00 0.00 H new ATOM 0 HG21 ILE A 221 44.554 5.229 12.237 1.00 0.00 H new ATOM 0 HG22 ILE A 221 43.810 3.749 11.586 1.00 0.00 H new ATOM 0 HG23 ILE A 221 44.083 5.150 10.523 1.00 0.00 H new ATOM 0 HD11 ILE A 221 43.336 8.556 12.876 1.00 0.00 H new ATOM 0 HD12 ILE A 221 42.931 7.155 13.896 1.00 0.00 H new ATOM 0 HD13 ILE A 221 44.343 7.089 12.815 1.00 0.00 H new ATOM 254 N LYS A 222 39.488 6.317 10.837 1.00 0.00 N ATOM 255 CA LYS A 222 38.155 6.781 11.203 1.00 0.00 C ATOM 256 C LYS A 222 37.105 5.743 10.820 1.00 0.00 C ATOM 257 O LYS A 222 36.154 5.505 11.565 1.00 0.00 O ATOM 258 CB LYS A 222 37.852 8.104 10.501 1.00 0.00 C ATOM 259 CG LYS A 222 36.506 8.644 10.986 1.00 0.00 C ATOM 260 CD LYS A 222 36.286 10.053 10.427 1.00 0.00 C ATOM 261 CE LYS A 222 35.932 9.970 8.940 1.00 0.00 C ATOM 262 NZ LYS A 222 35.398 11.281 8.483 1.00 0.00 N ATOM 0 H LYS A 222 39.973 6.907 10.161 1.00 0.00 H new ATOM 0 HA LYS A 222 38.124 6.930 12.282 1.00 0.00 H new ATOM 0 HB2 LYS A 222 38.641 8.827 10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 222 37.829 7.958 9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 222 35.701 7.984 10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 222 36.483 8.666 12.076 1.00 0.00 H new ATOM 0 HD2 LYS A 222 35.485 10.550 10.974 1.00 0.00 H new ATOM 0 HD3 LYS A 222 37.186 10.653 10.563 1.00 0.00 H new ATOM 0 HE2 LYS A 222 36.815 9.703 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 222 35.193 9.186 8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 222 35.157 11.225 7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 222 34.545 11.518 9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 222 36.117 12.018 8.627 1.00 0.00 H new ATOM 276 N ARG A 223 37.283 5.132 9.655 1.00 0.00 N ATOM 277 CA ARG A 223 36.345 4.119 9.184 1.00 0.00 C ATOM 278 C ARG A 223 36.316 2.932 10.141 1.00 0.00 C ATOM 279 O ARG A 223 35.251 2.391 10.441 1.00 0.00 O ATOM 280 CB ARG A 223 36.746 3.646 7.785 1.00 0.00 C ATOM 281 CG ARG A 223 35.703 2.656 7.261 1.00 0.00 C ATOM 282 CD ARG A 223 36.090 2.205 5.854 1.00 0.00 C ATOM 283 NE ARG A 223 35.027 1.387 5.277 1.00 0.00 N ATOM 284 CZ ARG A 223 34.965 0.079 5.502 1.00 0.00 C ATOM 285 NH1 ARG A 223 35.865 -0.497 6.253 1.00 0.00 N ATOM 286 NH2 ARG A 223 34.005 -0.629 4.975 1.00 0.00 N ATOM 0 H ARG A 223 38.062 5.318 9.023 1.00 0.00 H new ATOM 0 HA ARG A 223 35.349 4.561 9.143 1.00 0.00 H new ATOM 0 HB2 ARG A 223 36.825 4.498 7.110 1.00 0.00 H new ATOM 0 HB3 ARG A 223 37.728 3.173 7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 223 35.638 1.794 7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 223 34.718 3.123 7.247 1.00 0.00 H new ATOM 0 HD2 ARG A 223 36.273 3.075 5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 223 37.019 1.636 5.889 1.00 0.00 H new ATOM 0 HE ARG A 223 34.319 1.828 4.690 1.00 0.00 H new ATOM 0 HH11 ARG A 223 36.615 0.057 6.666 1.00 0.00 H new ATOM 0 HH12 ARG A 223 35.818 -1.501 6.426 1.00 0.00 H new ATOM 0 HH21 ARG A 223 33.301 -0.179 4.390 1.00 0.00 H new ATOM 0 HH22 ARG A 223 33.958 -1.633 5.148 1.00 0.00 H new ATOM 300 N GLU A 224 37.492 2.529 10.612 1.00 0.00 N ATOM 301 CA GLU A 224 37.589 1.400 11.531 1.00 0.00 C ATOM 302 C GLU A 224 36.883 1.722 12.843 1.00 0.00 C ATOM 303 O GLU A 224 36.239 0.858 13.442 1.00 0.00 O ATOM 304 CB GLU A 224 39.058 1.075 11.804 1.00 0.00 C ATOM 305 CG GLU A 224 39.152 -0.203 12.641 1.00 0.00 C ATOM 306 CD GLU A 224 40.613 -0.553 12.897 1.00 0.00 C ATOM 307 OE1 GLU A 224 41.200 0.049 13.780 1.00 0.00 O ATOM 308 OE2 GLU A 224 41.124 -1.417 12.204 1.00 0.00 O ATOM 0 H GLU A 224 38.384 2.963 10.375 1.00 0.00 H new ATOM 0 HA GLU A 224 37.107 0.536 11.073 1.00 0.00 H new ATOM 0 HB2 GLU A 224 39.594 0.946 10.863 1.00 0.00 H new ATOM 0 HB3 GLU A 224 39.533 1.903 12.331 1.00 0.00 H new ATOM 0 HG2 GLU A 224 38.631 -0.066 13.589 1.00 0.00 H new ATOM 0 HG3 GLU A 224 38.658 -1.025 12.122 1.00 0.00 H new ATOM 315 N TYR A 225 37.004 2.970 13.285 1.00 0.00 N ATOM 316 CA TYR A 225 36.369 3.394 14.529 1.00 0.00 C ATOM 317 C TYR A 225 34.852 3.262 14.426 1.00 0.00 C ATOM 318 O TYR A 225 34.201 2.750 15.336 1.00 0.00 O ATOM 319 CB TYR A 225 36.738 4.848 14.834 1.00 0.00 C ATOM 320 CG TYR A 225 36.004 5.304 16.073 1.00 0.00 C ATOM 321 CD1 TYR A 225 36.447 4.900 17.337 1.00 0.00 C ATOM 322 CD2 TYR A 225 34.882 6.134 15.956 1.00 0.00 C ATOM 323 CE1 TYR A 225 35.766 5.322 18.485 1.00 0.00 C ATOM 324 CE2 TYR A 225 34.202 6.555 17.103 1.00 0.00 C ATOM 325 CZ TYR A 225 34.644 6.152 18.368 1.00 0.00 C ATOM 326 OH TYR A 225 33.973 6.569 19.499 1.00 0.00 O ATOM 0 H TYR A 225 37.531 3.700 12.806 1.00 0.00 H new ATOM 0 HA TYR A 225 36.725 2.753 15.335 1.00 0.00 H new ATOM 0 HB2 TYR A 225 37.814 4.938 14.982 1.00 0.00 H new ATOM 0 HB3 TYR A 225 36.478 5.485 13.989 1.00 0.00 H new ATOM 0 HD1 TYR A 225 37.314 4.263 17.427 1.00 0.00 H new ATOM 0 HD2 TYR A 225 34.542 6.449 14.980 1.00 0.00 H new ATOM 0 HE1 TYR A 225 36.106 5.008 19.461 1.00 0.00 H new ATOM 0 HE2 TYR A 225 33.335 7.192 17.012 1.00 0.00 H new ATOM 0 HH TYR A 225 33.219 7.140 19.241 1.00 0.00 H new ATOM 336 N LYS A 226 34.299 3.729 13.316 1.00 0.00 N ATOM 337 CA LYS A 226 32.860 3.657 13.105 1.00 0.00 C ATOM 338 C LYS A 226 32.401 2.206 13.016 1.00 0.00 C ATOM 339 O LYS A 226 31.300 1.863 13.447 1.00 0.00 O ATOM 340 CB LYS A 226 32.480 4.398 11.818 1.00 0.00 C ATOM 341 CG LYS A 226 30.970 4.691 11.818 1.00 0.00 C ATOM 342 CD LYS A 226 30.705 6.024 12.524 1.00 0.00 C ATOM 343 CE LYS A 226 29.201 6.259 12.622 1.00 0.00 C ATOM 344 NZ LYS A 226 28.649 6.508 11.262 1.00 0.00 N ATOM 0 H LYS A 226 34.820 4.159 12.552 1.00 0.00 H new ATOM 0 HA LYS A 226 32.365 4.129 13.954 1.00 0.00 H new ATOM 0 HB2 LYS A 226 33.041 5.329 11.743 1.00 0.00 H new ATOM 0 HB3 LYS A 226 32.744 3.796 10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 226 30.597 4.730 10.795 1.00 0.00 H new ATOM 0 HG3 LYS A 226 30.433 3.888 12.323 1.00 0.00 H new ATOM 0 HD2 LYS A 226 31.148 6.014 13.520 1.00 0.00 H new ATOM 0 HD3 LYS A 226 31.176 6.839 11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 226 28.715 5.393 13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 226 28.997 7.111 13.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 27.688 6.898 11.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 29.257 7.186 10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 28.616 5.614 10.732 1.00 0.00 H new ATOM 358 N GLU A 227 33.251 1.358 12.446 1.00 0.00 N ATOM 359 CA GLU A 227 32.922 -0.054 12.301 1.00 0.00 C ATOM 360 C GLU A 227 32.638 -0.675 13.666 1.00 0.00 C ATOM 361 O GLU A 227 31.804 -1.571 13.789 1.00 0.00 O ATOM 362 CB GLU A 227 34.083 -0.794 11.633 1.00 0.00 C ATOM 363 CG GLU A 227 33.656 -2.225 11.297 1.00 0.00 C ATOM 364 CD GLU A 227 32.639 -2.210 10.161 1.00 0.00 C ATOM 365 OE1 GLU A 227 32.422 -1.148 9.599 1.00 0.00 O ATOM 366 OE2 GLU A 227 32.093 -3.260 9.866 1.00 0.00 O ATOM 0 H GLU A 227 34.166 1.622 12.080 1.00 0.00 H new ATOM 0 HA GLU A 227 32.031 -0.142 11.679 1.00 0.00 H new ATOM 0 HB2 GLU A 227 34.386 -0.272 10.725 1.00 0.00 H new ATOM 0 HB3 GLU A 227 34.948 -0.808 12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 227 34.526 -2.815 11.010 1.00 0.00 H new ATOM 0 HG3 GLU A 227 33.224 -2.701 12.177 1.00 0.00 H new ATOM 373 N MET A 228 33.340 -0.196 14.688 1.00 0.00 N ATOM 374 CA MET A 228 33.155 -0.716 16.038 1.00 0.00 C ATOM 375 C MET A 228 31.734 -0.454 16.524 1.00 0.00 C ATOM 376 O MET A 228 31.112 -1.314 17.147 1.00 0.00 O ATOM 377 CB MET A 228 34.151 -0.055 16.993 1.00 0.00 C ATOM 378 CG MET A 228 35.573 -0.483 16.627 1.00 0.00 C ATOM 379 SD MET A 228 36.746 0.278 17.774 1.00 0.00 S ATOM 380 CE MET A 228 38.259 -0.215 16.914 1.00 0.00 C ATOM 0 H MET A 228 34.036 0.545 14.609 1.00 0.00 H new ATOM 0 HA MET A 228 33.328 -1.792 16.019 1.00 0.00 H new ATOM 0 HB2 MET A 228 34.061 1.030 16.935 1.00 0.00 H new ATOM 0 HB3 MET A 228 33.928 -0.339 18.021 1.00 0.00 H new ATOM 0 HG2 MET A 228 35.659 -1.569 16.669 1.00 0.00 H new ATOM 0 HG3 MET A 228 35.802 -0.184 15.604 1.00 0.00 H new ATOM 0 HE1 MET A 228 39.126 0.157 17.460 1.00 0.00 H new ATOM 0 HE2 MET A 228 38.307 -1.302 16.856 1.00 0.00 H new ATOM 0 HE3 MET A 228 38.258 0.203 15.907 1.00 0.00 H new ATOM 390 N GLU A 229 31.224 0.737 16.230 1.00 0.00 N ATOM 391 CA GLU A 229 29.873 1.104 16.639 1.00 0.00 C ATOM 392 C GLU A 229 28.837 0.358 15.805 1.00 0.00 C ATOM 393 O GLU A 229 27.638 0.600 15.929 1.00 0.00 O ATOM 394 CB GLU A 229 29.669 2.611 16.490 1.00 0.00 C ATOM 395 CG GLU A 229 30.532 3.348 17.515 1.00 0.00 C ATOM 396 CD GLU A 229 30.379 4.854 17.340 1.00 0.00 C ATOM 397 OE1 GLU A 229 29.668 5.255 16.433 1.00 0.00 O ATOM 398 OE2 GLU A 229 30.968 5.585 18.118 1.00 0.00 O ATOM 0 H GLU A 229 31.722 1.461 15.713 1.00 0.00 H new ATOM 0 HA GLU A 229 29.745 0.826 17.685 1.00 0.00 H new ATOM 0 HB2 GLU A 229 29.935 2.926 15.481 1.00 0.00 H new ATOM 0 HB3 GLU A 229 28.618 2.862 16.636 1.00 0.00 H new ATOM 0 HG2 GLU A 229 30.238 3.059 18.524 1.00 0.00 H new ATOM 0 HG3 GLU A 229 31.577 3.064 17.394 1.00 0.00 H new ATOM 405 N GLY A 230 29.311 -0.543 14.950 1.00 0.00 N ATOM 406 CA GLY A 230 28.417 -1.318 14.096 1.00 0.00 C ATOM 407 C GLY A 230 27.401 -2.088 14.929 1.00 0.00 C ATOM 408 O GLY A 230 26.614 -1.502 15.671 1.00 0.00 O ATOM 0 H GLY A 230 30.302 -0.754 14.830 1.00 0.00 H new ATOM 0 HA2 GLY A 230 27.898 -0.652 13.407 1.00 0.00 H new ATOM 0 HA3 GLY A 230 28.998 -2.013 13.490 1.00 0.00 H new ATOM 437 N GLU A 233 28.079 -4.300 20.342 1.00 0.00 N ATOM 438 CA GLU A 233 27.880 -3.297 21.383 1.00 0.00 C ATOM 439 C GLU A 233 28.960 -3.412 22.452 1.00 0.00 C ATOM 440 O GLU A 233 29.142 -2.507 23.261 1.00 0.00 O ATOM 441 CB GLU A 233 26.502 -3.482 22.023 1.00 0.00 C ATOM 442 CG GLU A 233 25.413 -3.217 20.981 1.00 0.00 C ATOM 443 CD GLU A 233 25.438 -1.752 20.557 1.00 0.00 C ATOM 444 OE1 GLU A 233 25.973 -0.950 21.306 1.00 0.00 O ATOM 445 OE2 GLU A 233 24.930 -1.454 19.490 1.00 0.00 O ATOM 0 HA GLU A 233 27.942 -2.308 20.928 1.00 0.00 H new ATOM 0 HB2 GLU A 233 26.405 -4.494 22.416 1.00 0.00 H new ATOM 0 HB3 GLU A 233 26.387 -2.801 22.866 1.00 0.00 H new ATOM 0 HG2 GLU A 233 25.566 -3.858 20.113 1.00 0.00 H new ATOM 0 HG3 GLU A 233 24.436 -3.468 21.393 1.00 0.00 H new ATOM 452 N ILE A 234 29.670 -4.530 22.451 1.00 0.00 N ATOM 453 CA ILE A 234 30.729 -4.751 23.427 1.00 0.00 C ATOM 454 C ILE A 234 31.860 -3.745 23.233 1.00 0.00 C ATOM 455 O ILE A 234 32.397 -3.204 24.199 1.00 0.00 O ATOM 456 CB ILE A 234 31.276 -6.175 23.294 1.00 0.00 C ATOM 457 CG1 ILE A 234 30.201 -7.177 23.726 1.00 0.00 C ATOM 458 CG2 ILE A 234 32.511 -6.338 24.188 1.00 0.00 C ATOM 459 CD1 ILE A 234 30.631 -8.591 23.328 1.00 0.00 C ATOM 0 H ILE A 234 29.534 -5.295 21.790 1.00 0.00 H new ATOM 0 HA ILE A 234 30.310 -4.617 24.424 1.00 0.00 H new ATOM 0 HB ILE A 234 31.553 -6.360 22.256 1.00 0.00 H new ATOM 0 HG12 ILE A 234 30.049 -7.122 24.804 1.00 0.00 H new ATOM 0 HG13 ILE A 234 29.249 -6.930 23.257 1.00 0.00 H new ATOM 0 HG21 ILE A 234 32.899 -7.352 24.092 1.00 0.00 H new ATOM 0 HG22 ILE A 234 33.278 -5.626 23.883 1.00 0.00 H new ATOM 0 HG23 ILE A 234 32.236 -6.152 25.226 1.00 0.00 H new ATOM 0 HD11 ILE A 234 29.866 -9.304 23.635 1.00 0.00 H new ATOM 0 HD12 ILE A 234 30.760 -8.641 22.247 1.00 0.00 H new ATOM 0 HD13 ILE A 234 31.573 -8.836 23.818 1.00 0.00 H new ATOM 471 N LYS A 235 32.230 -3.517 21.978 1.00 0.00 N ATOM 472 CA LYS A 235 33.315 -2.592 21.670 1.00 0.00 C ATOM 473 C LYS A 235 32.916 -1.164 22.020 1.00 0.00 C ATOM 474 O LYS A 235 33.752 -0.260 22.025 1.00 0.00 O ATOM 475 CB LYS A 235 33.660 -2.677 20.180 1.00 0.00 C ATOM 476 CG LYS A 235 34.227 -4.062 19.862 1.00 0.00 C ATOM 477 CD LYS A 235 34.538 -4.158 18.367 1.00 0.00 C ATOM 478 CE LYS A 235 35.074 -5.554 18.045 1.00 0.00 C ATOM 479 NZ LYS A 235 35.341 -5.657 16.582 1.00 0.00 N ATOM 0 H LYS A 235 31.799 -3.955 21.164 1.00 0.00 H new ATOM 0 HA LYS A 235 34.186 -2.869 22.264 1.00 0.00 H new ATOM 0 HB2 LYS A 235 32.770 -2.491 19.579 1.00 0.00 H new ATOM 0 HB3 LYS A 235 34.387 -1.907 19.920 1.00 0.00 H new ATOM 0 HG2 LYS A 235 35.132 -4.238 20.444 1.00 0.00 H new ATOM 0 HG3 LYS A 235 33.511 -4.833 20.145 1.00 0.00 H new ATOM 0 HD2 LYS A 235 33.639 -3.959 17.784 1.00 0.00 H new ATOM 0 HD3 LYS A 235 35.272 -3.402 18.088 1.00 0.00 H new ATOM 0 HE2 LYS A 235 35.989 -5.743 18.607 1.00 0.00 H new ATOM 0 HE3 LYS A 235 34.352 -6.312 18.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 35.706 -6.606 16.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 34.459 -5.494 16.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 36.045 -4.943 16.307 1.00 0.00 H new ATOM 493 N SER A 236 31.635 -0.967 22.309 1.00 0.00 N ATOM 494 CA SER A 236 31.133 0.358 22.653 1.00 0.00 C ATOM 495 C SER A 236 31.779 0.856 23.944 1.00 0.00 C ATOM 496 O SER A 236 32.057 2.046 24.090 1.00 0.00 O ATOM 497 CB SER A 236 29.616 0.315 22.825 1.00 0.00 C ATOM 498 OG SER A 236 29.033 -0.303 21.683 1.00 0.00 O ATOM 0 H SER A 236 30.929 -1.703 22.312 1.00 0.00 H new ATOM 0 HA SER A 236 31.386 1.043 21.844 1.00 0.00 H new ATOM 0 HB2 SER A 236 29.356 -0.240 23.726 1.00 0.00 H new ATOM 0 HB3 SER A 236 29.223 1.324 22.948 1.00 0.00 H new ATOM 0 HG SER A 236 28.059 -0.334 21.789 1.00 0.00 H new ATOM 504 N LYS A 237 32.008 -0.063 24.876 1.00 0.00 N ATOM 505 CA LYS A 237 32.620 0.295 26.152 1.00 0.00 C ATOM 506 C LYS A 237 34.086 0.669 25.958 1.00 0.00 C ATOM 507 O LYS A 237 34.697 1.293 26.827 1.00 0.00 O ATOM 508 CB LYS A 237 32.515 -0.880 27.127 1.00 0.00 C ATOM 509 CG LYS A 237 31.049 -1.108 27.497 1.00 0.00 C ATOM 510 CD LYS A 237 30.940 -2.315 28.431 1.00 0.00 C ATOM 511 CE LYS A 237 29.471 -2.550 28.792 1.00 0.00 C ATOM 512 NZ LYS A 237 29.361 -3.753 29.663 1.00 0.00 N ATOM 0 H LYS A 237 31.782 -1.052 24.775 1.00 0.00 H new ATOM 0 HA LYS A 237 32.090 1.155 26.560 1.00 0.00 H new ATOM 0 HB2 LYS A 237 32.931 -1.780 26.674 1.00 0.00 H new ATOM 0 HB3 LYS A 237 33.100 -0.675 28.024 1.00 0.00 H new ATOM 0 HG2 LYS A 237 30.643 -0.221 27.983 1.00 0.00 H new ATOM 0 HG3 LYS A 237 30.458 -1.277 26.597 1.00 0.00 H new ATOM 0 HD2 LYS A 237 31.353 -3.201 27.948 1.00 0.00 H new ATOM 0 HD3 LYS A 237 31.525 -2.143 29.335 1.00 0.00 H new ATOM 0 HE2 LYS A 237 29.067 -1.678 29.306 1.00 0.00 H new ATOM 0 HE3 LYS A 237 28.880 -2.688 27.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 28.363 -3.914 29.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 29.731 -4.583 29.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 29.912 -3.604 30.532 1.00 0.00 H new ATOM 526 N ARG A 238 34.645 0.285 24.816 1.00 0.00 N ATOM 527 CA ARG A 238 36.040 0.586 24.518 1.00 0.00 C ATOM 528 C ARG A 238 36.245 2.089 24.364 1.00 0.00 C ATOM 529 O ARG A 238 37.360 2.592 24.508 1.00 0.00 O ATOM 530 CB ARG A 238 36.467 -0.126 23.234 1.00 0.00 C ATOM 531 CG ARG A 238 37.988 -0.063 23.097 1.00 0.00 C ATOM 532 CD ARG A 238 38.416 -0.775 21.812 1.00 0.00 C ATOM 533 NE ARG A 238 38.151 -2.206 21.917 1.00 0.00 N ATOM 534 CZ ARG A 238 38.454 -3.034 20.924 1.00 0.00 C ATOM 535 NH1 ARG A 238 39.001 -2.574 19.832 1.00 0.00 N ATOM 536 NH2 ARG A 238 38.208 -4.311 21.041 1.00 0.00 N ATOM 0 H ARG A 238 34.157 -0.232 24.085 1.00 0.00 H new ATOM 0 HA ARG A 238 36.652 0.233 25.348 1.00 0.00 H new ATOM 0 HB2 ARG A 238 36.136 -1.164 23.254 1.00 0.00 H new ATOM 0 HB3 ARG A 238 35.994 0.343 22.371 1.00 0.00 H new ATOM 0 HG2 ARG A 238 38.319 0.975 23.077 1.00 0.00 H new ATOM 0 HG3 ARG A 238 38.461 -0.532 23.960 1.00 0.00 H new ATOM 0 HD2 ARG A 238 37.877 -0.359 20.961 1.00 0.00 H new ATOM 0 HD3 ARG A 238 39.478 -0.607 21.630 1.00 0.00 H new ATOM 0 HE ARG A 238 37.726 -2.576 22.767 1.00 0.00 H new ATOM 0 HH11 ARG A 238 39.196 -1.577 19.740 1.00 0.00 H new ATOM 0 HH12 ARG A 238 39.233 -3.211 19.070 1.00 0.00 H new ATOM 0 HH21 ARG A 238 37.783 -4.672 21.895 1.00 0.00 H new ATOM 0 HH22 ARG A 238 38.441 -4.947 20.278 1.00 0.00 H new ATOM 550 N ARG A 239 35.164 2.802 24.074 1.00 0.00 N ATOM 551 CA ARG A 239 35.240 4.250 23.905 1.00 0.00 C ATOM 552 C ARG A 239 35.683 4.913 25.201 1.00 0.00 C ATOM 553 O ARG A 239 36.448 5.878 25.182 1.00 0.00 O ATOM 554 CB ARG A 239 33.865 4.799 23.483 1.00 0.00 C ATOM 555 CG ARG A 239 33.769 4.826 21.955 1.00 0.00 C ATOM 556 CD ARG A 239 33.935 3.403 21.402 1.00 0.00 C ATOM 557 NE ARG A 239 35.343 3.128 21.137 1.00 0.00 N ATOM 558 CZ ARG A 239 35.713 2.056 20.447 1.00 0.00 C ATOM 559 NH1 ARG A 239 34.810 1.230 19.991 1.00 0.00 N ATOM 560 NH2 ARG A 239 36.978 1.827 20.224 1.00 0.00 N ATOM 0 H ARG A 239 34.232 2.407 23.952 1.00 0.00 H new ATOM 0 HA ARG A 239 35.972 4.473 23.129 1.00 0.00 H new ATOM 0 HB2 ARG A 239 33.071 4.177 23.896 1.00 0.00 H new ATOM 0 HB3 ARG A 239 33.724 5.803 23.884 1.00 0.00 H new ATOM 0 HG2 ARG A 239 32.807 5.236 21.648 1.00 0.00 H new ATOM 0 HG3 ARG A 239 34.539 5.479 21.544 1.00 0.00 H new ATOM 0 HD2 ARG A 239 33.544 2.679 22.117 1.00 0.00 H new ATOM 0 HD3 ARG A 239 33.356 3.291 20.485 1.00 0.00 H new ATOM 0 HE ARG A 239 36.054 3.770 21.487 1.00 0.00 H new ATOM 0 HH11 ARG A 239 33.821 1.409 20.165 1.00 0.00 H new ATOM 0 HH12 ARG A 239 35.094 0.406 19.461 1.00 0.00 H new ATOM 0 HH21 ARG A 239 37.684 2.472 20.580 1.00 0.00 H new ATOM 0 HH22 ARG A 239 37.261 1.003 19.694 1.00 0.00 H new ATOM 574 N GLN A 240 35.190 4.402 26.322 1.00 0.00 N ATOM 575 CA GLN A 240 35.538 4.964 27.623 1.00 0.00 C ATOM 576 C GLN A 240 37.028 5.281 27.688 1.00 0.00 C ATOM 577 O GLN A 240 37.418 6.418 27.950 1.00 0.00 O ATOM 578 CB GLN A 240 35.183 3.969 28.729 1.00 0.00 C ATOM 579 CG GLN A 240 33.662 3.820 28.815 1.00 0.00 C ATOM 580 CD GLN A 240 33.300 2.768 29.857 1.00 0.00 C ATOM 581 OE1 GLN A 240 33.683 1.605 29.727 1.00 0.00 O ATOM 582 NE2 GLN A 240 32.576 3.106 30.890 1.00 0.00 N ATOM 0 H GLN A 240 34.553 3.606 26.358 1.00 0.00 H new ATOM 0 HA GLN A 240 34.974 5.886 27.763 1.00 0.00 H new ATOM 0 HB2 GLN A 240 35.642 3.002 28.524 1.00 0.00 H new ATOM 0 HB3 GLN A 240 35.580 4.314 29.684 1.00 0.00 H new ATOM 0 HG2 GLN A 240 33.209 4.776 29.078 1.00 0.00 H new ATOM 0 HG3 GLN A 240 33.261 3.534 27.843 1.00 0.00 H new ATOM 0 HE21 GLN A 240 32.259 4.070 30.997 1.00 0.00 H new ATOM 0 HE22 GLN A 240 32.328 2.406 31.590 1.00 0.00 H new ATOM 591 N PHE A 241 37.855 4.271 27.443 1.00 0.00 N ATOM 592 CA PHE A 241 39.301 4.453 27.479 1.00 0.00 C ATOM 593 C PHE A 241 39.754 5.395 26.368 1.00 0.00 C ATOM 594 O PHE A 241 40.649 6.218 26.566 1.00 0.00 O ATOM 595 CB PHE A 241 40.003 3.103 27.324 1.00 0.00 C ATOM 596 CG PHE A 241 39.764 2.267 28.559 1.00 0.00 C ATOM 597 CD1 PHE A 241 40.583 2.427 29.683 1.00 0.00 C ATOM 598 CD2 PHE A 241 38.723 1.330 28.579 1.00 0.00 C ATOM 599 CE1 PHE A 241 40.361 1.652 30.827 1.00 0.00 C ATOM 600 CE2 PHE A 241 38.501 0.555 29.724 1.00 0.00 C ATOM 601 CZ PHE A 241 39.320 0.715 30.847 1.00 0.00 C ATOM 0 H PHE A 241 37.551 3.323 27.219 1.00 0.00 H new ATOM 0 HA PHE A 241 39.567 4.892 28.441 1.00 0.00 H new ATOM 0 HB2 PHE A 241 39.627 2.584 26.442 1.00 0.00 H new ATOM 0 HB3 PHE A 241 41.072 3.252 27.174 1.00 0.00 H new ATOM 0 HD1 PHE A 241 41.386 3.149 29.667 1.00 0.00 H new ATOM 0 HD2 PHE A 241 38.092 1.205 27.712 1.00 0.00 H new ATOM 0 HE1 PHE A 241 40.992 1.776 31.694 1.00 0.00 H new ATOM 0 HE2 PHE A 241 37.697 -0.166 29.740 1.00 0.00 H new ATOM 0 HZ PHE A 241 39.150 0.116 31.729 1.00 0.00 H new ATOM 611 N HIS A 242 39.135 5.267 25.202 1.00 0.00 N ATOM 612 CA HIS A 242 39.486 6.107 24.065 1.00 0.00 C ATOM 613 C HIS A 242 39.498 7.578 24.469 1.00 0.00 C ATOM 614 O HIS A 242 40.063 8.420 23.769 1.00 0.00 O ATOM 615 CB HIS A 242 38.480 5.898 22.929 1.00 0.00 C ATOM 616 CG HIS A 242 39.047 6.442 21.646 1.00 0.00 C ATOM 617 ND1 HIS A 242 38.792 7.732 21.210 1.00 0.00 N ATOM 618 CD2 HIS A 242 39.865 5.880 20.696 1.00 0.00 C ATOM 619 CE1 HIS A 242 39.443 7.903 20.046 1.00 0.00 C ATOM 620 NE2 HIS A 242 40.114 6.806 19.687 1.00 0.00 N ATOM 0 H HIS A 242 38.391 4.593 25.019 1.00 0.00 H new ATOM 0 HA HIS A 242 40.483 5.826 23.725 1.00 0.00 H new ATOM 0 HB2 HIS A 242 38.256 4.837 22.818 1.00 0.00 H new ATOM 0 HB3 HIS A 242 37.541 6.399 23.165 1.00 0.00 H new ATOM 0 HD2 HIS A 242 40.255 4.873 20.727 1.00 0.00 H new ATOM 0 HE1 HIS A 242 39.425 8.817 19.471 1.00 0.00 H new ATOM 0 HE2 HIS A 242 40.686 6.675 18.853 1.00 0.00 H new ATOM 628 N GLN A 243 38.872 7.882 25.598 1.00 0.00 N ATOM 629 CA GLN A 243 38.817 9.257 26.083 1.00 0.00 C ATOM 630 C GLN A 243 40.215 9.755 26.436 1.00 0.00 C ATOM 631 O GLN A 243 40.506 10.946 26.331 1.00 0.00 O ATOM 632 CB GLN A 243 37.911 9.334 27.318 1.00 0.00 C ATOM 633 CG GLN A 243 38.625 8.705 28.527 1.00 0.00 C ATOM 634 CD GLN A 243 39.513 9.743 29.209 1.00 0.00 C ATOM 635 OE1 GLN A 243 39.132 10.908 29.321 1.00 0.00 O ATOM 636 NE2 GLN A 243 40.682 9.391 29.663 1.00 0.00 N ATOM 0 H GLN A 243 38.398 7.202 26.192 1.00 0.00 H new ATOM 0 HA GLN A 243 38.410 9.890 25.295 1.00 0.00 H new ATOM 0 HB2 GLN A 243 37.660 10.373 27.532 1.00 0.00 H new ATOM 0 HB3 GLN A 243 36.973 8.813 27.126 1.00 0.00 H new ATOM 0 HG2 GLN A 243 37.890 8.322 29.235 1.00 0.00 H new ATOM 0 HG3 GLN A 243 39.227 7.856 28.203 1.00 0.00 H new ATOM 0 HE21 GLN A 243 40.996 8.425 29.569 1.00 0.00 H new ATOM 0 HE22 GLN A 243 41.284 10.081 30.112 1.00 0.00 H new ATOM 645 N GLU A 244 41.072 8.838 26.876 1.00 0.00 N ATOM 646 CA GLU A 244 42.429 9.200 27.257 1.00 0.00 C ATOM 647 C GLU A 244 43.211 9.686 26.042 1.00 0.00 C ATOM 648 O GLU A 244 43.965 10.653 26.126 1.00 0.00 O ATOM 649 CB GLU A 244 43.141 7.991 27.874 1.00 0.00 C ATOM 650 CG GLU A 244 44.448 8.439 28.533 1.00 0.00 C ATOM 651 CD GLU A 244 45.496 8.734 27.465 1.00 0.00 C ATOM 652 OE1 GLU A 244 45.456 8.092 26.429 1.00 0.00 O ATOM 653 OE2 GLU A 244 46.321 9.602 27.697 1.00 0.00 O ATOM 0 H GLU A 244 40.851 7.847 26.976 1.00 0.00 H new ATOM 0 HA GLU A 244 42.379 10.004 27.991 1.00 0.00 H new ATOM 0 HB2 GLU A 244 42.495 7.515 28.612 1.00 0.00 H new ATOM 0 HB3 GLU A 244 43.347 7.247 27.104 1.00 0.00 H new ATOM 0 HG2 GLU A 244 44.273 9.328 29.138 1.00 0.00 H new ATOM 0 HG3 GLU A 244 44.811 7.662 29.206 1.00 0.00 H new ATOM 660 N ILE A 245 43.030 9.008 24.916 1.00 0.00 N ATOM 661 CA ILE A 245 43.725 9.381 23.692 1.00 0.00 C ATOM 662 C ILE A 245 43.278 10.764 23.222 1.00 0.00 C ATOM 663 O ILE A 245 44.096 11.588 22.813 1.00 0.00 O ATOM 664 CB ILE A 245 43.445 8.350 22.596 1.00 0.00 C ATOM 665 CG1 ILE A 245 44.083 7.012 22.984 1.00 0.00 C ATOM 666 CG2 ILE A 245 44.045 8.832 21.272 1.00 0.00 C ATOM 667 CD1 ILE A 245 43.574 5.915 22.047 1.00 0.00 C ATOM 0 H ILE A 245 42.412 8.202 24.825 1.00 0.00 H new ATOM 0 HA ILE A 245 44.795 9.408 23.898 1.00 0.00 H new ATOM 0 HB ILE A 245 42.368 8.225 22.482 1.00 0.00 H new ATOM 0 HG12 ILE A 245 45.169 7.083 22.922 1.00 0.00 H new ATOM 0 HG13 ILE A 245 43.838 6.766 24.017 1.00 0.00 H new ATOM 0 HG21 ILE A 245 43.845 8.097 20.493 1.00 0.00 H new ATOM 0 HG22 ILE A 245 43.596 9.786 20.995 1.00 0.00 H new ATOM 0 HG23 ILE A 245 45.122 8.957 21.385 1.00 0.00 H new ATOM 0 HD11 ILE A 245 44.027 4.963 22.322 1.00 0.00 H new ATOM 0 HD12 ILE A 245 42.490 5.839 22.131 1.00 0.00 H new ATOM 0 HD13 ILE A 245 43.842 6.161 21.019 1.00 0.00 H new ATOM 679 N GLN A 246 41.973 11.006 23.275 1.00 0.00 N ATOM 680 CA GLN A 246 41.425 12.288 22.849 1.00 0.00 C ATOM 681 C GLN A 246 41.934 13.413 23.743 1.00 0.00 C ATOM 682 O GLN A 246 41.830 14.589 23.396 1.00 0.00 O ATOM 683 CB GLN A 246 39.895 12.245 22.897 1.00 0.00 C ATOM 684 CG GLN A 246 39.374 11.303 21.809 1.00 0.00 C ATOM 685 CD GLN A 246 39.649 11.894 20.430 1.00 0.00 C ATOM 686 OE1 GLN A 246 39.234 13.015 20.140 1.00 0.00 O ATOM 687 NE2 GLN A 246 40.338 11.206 19.559 1.00 0.00 N ATOM 0 H GLN A 246 41.279 10.336 23.606 1.00 0.00 H new ATOM 0 HA GLN A 246 41.750 12.478 21.826 1.00 0.00 H new ATOM 0 HB2 GLN A 246 39.561 11.905 23.877 1.00 0.00 H new ATOM 0 HB3 GLN A 246 39.488 13.246 22.751 1.00 0.00 H new ATOM 0 HG2 GLN A 246 39.855 10.329 21.899 1.00 0.00 H new ATOM 0 HG3 GLN A 246 38.304 11.142 21.938 1.00 0.00 H new ATOM 0 HE21 GLN A 246 40.682 10.276 19.800 1.00 0.00 H new ATOM 0 HE22 GLN A 246 40.532 11.598 18.638 1.00 0.00 H new ATOM 696 N SER A 247 42.478 13.043 24.897 1.00 0.00 N ATOM 697 CA SER A 247 42.992 14.031 25.838 1.00 0.00 C ATOM 698 C SER A 247 44.164 14.786 25.228 1.00 0.00 C ATOM 699 O SER A 247 44.495 15.891 25.661 1.00 0.00 O ATOM 700 CB SER A 247 43.448 13.343 27.123 1.00 0.00 C ATOM 701 OG SER A 247 44.712 12.727 26.907 1.00 0.00 O ATOM 0 H SER A 247 42.574 12.074 25.202 1.00 0.00 H new ATOM 0 HA SER A 247 42.193 14.736 26.067 1.00 0.00 H new ATOM 0 HB2 SER A 247 43.519 14.070 27.932 1.00 0.00 H new ATOM 0 HB3 SER A 247 42.715 12.596 27.429 1.00 0.00 H new ATOM 0 HG SER A 247 44.613 11.994 26.264 1.00 0.00 H new ATOM 707 N ARG A 248 44.794 14.187 24.221 1.00 0.00 N ATOM 708 CA ARG A 248 45.937 14.813 23.552 1.00 0.00 C ATOM 709 C ARG A 248 45.591 15.160 22.109 1.00 0.00 C ATOM 710 O ARG A 248 46.477 15.334 21.275 1.00 0.00 O ATOM 711 CB ARG A 248 47.138 13.868 23.583 1.00 0.00 C ATOM 712 CG ARG A 248 47.614 13.692 25.026 1.00 0.00 C ATOM 713 CD ARG A 248 48.763 12.684 25.066 1.00 0.00 C ATOM 714 NE ARG A 248 48.276 11.353 24.719 1.00 0.00 N ATOM 715 CZ ARG A 248 49.099 10.310 24.669 1.00 0.00 C ATOM 716 NH1 ARG A 248 50.367 10.468 24.936 1.00 0.00 N ATOM 717 NH2 ARG A 248 48.639 9.130 24.356 1.00 0.00 N ATOM 0 H ARG A 248 44.536 13.273 23.850 1.00 0.00 H new ATOM 0 HA ARG A 248 46.186 15.733 24.081 1.00 0.00 H new ATOM 0 HB2 ARG A 248 46.865 12.902 23.159 1.00 0.00 H new ATOM 0 HB3 ARG A 248 47.945 14.269 22.969 1.00 0.00 H new ATOM 0 HG2 ARG A 248 47.942 14.649 25.431 1.00 0.00 H new ATOM 0 HG3 ARG A 248 46.791 13.346 25.652 1.00 0.00 H new ATOM 0 HD2 ARG A 248 49.546 12.986 24.370 1.00 0.00 H new ATOM 0 HD3 ARG A 248 49.209 12.669 26.061 1.00 0.00 H new ATOM 0 HE ARG A 248 47.286 11.220 24.511 1.00 0.00 H new ATOM 0 HH11 ARG A 248 50.725 11.391 25.183 1.00 0.00 H new ATOM 0 HH12 ARG A 248 51.000 9.669 24.898 1.00 0.00 H new ATOM 0 HH21 ARG A 248 47.648 9.007 24.150 1.00 0.00 H new ATOM 0 HH22 ARG A 248 49.271 8.330 24.318 1.00 0.00 H new