USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 399 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 32 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -157:sc= -0.0495 (180deg=-0.694) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.626 X(o=-0.63,f=-0.63) USER MOD Single : A 31 MET CE :methyl 141:sc= -5.6! (180deg=-10.7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -115:sc= -0.478 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.368 USER MOD Single : A 58 THR OG1 : rot 83:sc= 1.08 USER MOD Single : A 62 ASN : amide:sc= -0.275 K(o=-0.28,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 179 N PHE A 15 -8.632 4.044 2.493 1.00 0.00 N ATOM 180 CA PHE A 15 -8.097 3.253 3.596 1.00 0.00 C ATOM 181 C PHE A 15 -8.403 3.913 4.937 1.00 0.00 C ATOM 182 O PHE A 15 -8.391 5.138 5.055 1.00 0.00 O ATOM 183 CB PHE A 15 -6.587 3.072 3.436 1.00 0.00 C ATOM 184 CG PHE A 15 -6.212 2.019 2.433 1.00 0.00 C ATOM 185 CD1 PHE A 15 -6.493 0.684 2.672 1.00 0.00 C ATOM 186 CD2 PHE A 15 -5.579 2.365 1.250 1.00 0.00 C ATOM 187 CE1 PHE A 15 -6.148 -0.287 1.750 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.232 1.399 0.324 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.518 0.072 0.574 1.00 0.00 C ATOM 0 HA PHE A 15 -8.577 2.275 3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.145 4.022 3.136 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.156 2.811 4.403 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.987 0.398 3.589 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.354 3.402 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.371 -1.325 1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.738 1.682 -0.594 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.250 -0.685 -0.149 1.00 0.00 H new ATOM 199 N SER A 16 -8.678 3.091 5.945 1.00 0.00 N ATOM 200 CA SER A 16 -8.991 3.594 7.278 1.00 0.00 C ATOM 201 C SER A 16 -7.715 3.886 8.062 1.00 0.00 C ATOM 202 O SER A 16 -6.700 3.211 7.892 1.00 0.00 O ATOM 203 CB SER A 16 -9.851 2.583 8.038 1.00 0.00 C ATOM 204 OG SER A 16 -10.331 3.133 9.253 1.00 0.00 O ATOM 0 H SER A 16 -8.690 2.074 5.864 1.00 0.00 H new ATOM 0 HA SER A 16 -9.549 4.524 7.167 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.692 2.277 7.416 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.266 1.687 8.247 1.00 0.00 H new ATOM 0 HG SER A 16 -10.879 2.468 9.719 1.00 0.00 H new ATOM 210 N ASP A 17 -7.776 4.897 8.921 1.00 0.00 N ATOM 211 CA ASP A 17 -6.626 5.280 9.734 1.00 0.00 C ATOM 212 C ASP A 17 -5.899 4.047 10.261 1.00 0.00 C ATOM 213 O ASP A 17 -4.683 3.921 10.114 1.00 0.00 O ATOM 214 CB ASP A 17 -7.071 6.163 10.901 1.00 0.00 C ATOM 215 CG ASP A 17 -5.934 6.993 11.465 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.380 7.826 10.717 1.00 0.00 O ATOM 217 OD2 ASP A 17 -5.600 6.810 12.654 1.00 0.00 O ATOM 0 H ASP A 17 -8.609 5.466 9.073 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.938 5.844 9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.870 6.825 10.568 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.485 5.536 11.690 1.00 0.00 H new ATOM 222 N ARG A 18 -6.651 3.140 10.876 1.00 0.00 N ATOM 223 CA ARG A 18 -6.078 1.919 11.428 1.00 0.00 C ATOM 224 C ARG A 18 -5.249 1.185 10.377 1.00 0.00 C ATOM 225 O ARG A 18 -4.069 0.906 10.588 1.00 0.00 O ATOM 226 CB ARG A 18 -7.185 1.001 11.951 1.00 0.00 C ATOM 227 CG ARG A 18 -6.670 -0.309 12.524 1.00 0.00 C ATOM 228 CD ARG A 18 -7.751 -1.379 12.526 1.00 0.00 C ATOM 229 NE ARG A 18 -7.367 -2.543 13.319 1.00 0.00 N ATOM 230 CZ ARG A 18 -7.993 -3.713 13.259 1.00 0.00 C ATOM 231 NH1 ARG A 18 -9.028 -3.873 12.446 1.00 0.00 N ATOM 232 NH2 ARG A 18 -7.584 -4.726 14.013 1.00 0.00 N ATOM 0 H ARG A 18 -7.659 3.228 11.004 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.424 2.196 12.255 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.749 1.528 12.721 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.880 0.785 11.139 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.817 -0.653 11.939 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.314 -0.148 13.542 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.676 -0.959 12.922 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.955 -1.690 11.501 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.574 -2.453 13.954 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.345 -3.097 11.865 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.507 -4.772 12.401 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.788 -4.607 14.640 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.066 -5.624 13.966 1.00 0.00 H new ATOM 246 N ASP A 19 -5.875 0.876 9.247 1.00 0.00 N ATOM 247 CA ASP A 19 -5.195 0.175 8.164 1.00 0.00 C ATOM 248 C ASP A 19 -3.979 0.963 7.687 1.00 0.00 C ATOM 249 O ASP A 19 -2.853 0.462 7.711 1.00 0.00 O ATOM 250 CB ASP A 19 -6.156 -0.059 6.997 1.00 0.00 C ATOM 251 CG ASP A 19 -6.899 -1.375 7.114 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.591 -1.577 8.134 1.00 0.00 O ATOM 253 OD2 ASP A 19 -6.787 -2.204 6.187 1.00 0.00 O ATOM 0 H ASP A 19 -6.852 1.100 9.057 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.856 -0.789 8.544 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.876 0.759 6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.597 -0.042 6.061 1.00 0.00 H new ATOM 258 N LEU A 20 -4.212 2.196 7.252 1.00 0.00 N ATOM 259 CA LEU A 20 -3.135 3.053 6.768 1.00 0.00 C ATOM 260 C LEU A 20 -1.889 2.903 7.634 1.00 0.00 C ATOM 261 O LEU A 20 -0.793 2.665 7.126 1.00 0.00 O ATOM 262 CB LEU A 20 -3.587 4.514 6.753 1.00 0.00 C ATOM 263 CG LEU A 20 -4.304 4.983 5.486 1.00 0.00 C ATOM 264 CD1 LEU A 20 -4.971 6.330 5.717 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.330 5.061 4.320 1.00 0.00 C ATOM 0 H LEU A 20 -5.137 2.625 7.224 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.888 2.745 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.250 4.677 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.712 5.146 6.906 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.077 4.256 5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.476 6.647 4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.700 6.242 6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.216 7.068 5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.858 5.396 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.534 5.767 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.900 4.076 4.139 1.00 0.00 H new ATOM 277 N ALA A 21 -2.064 3.043 8.944 1.00 0.00 N ATOM 278 CA ALA A 21 -0.954 2.919 9.881 1.00 0.00 C ATOM 279 C ALA A 21 0.057 1.883 9.400 1.00 0.00 C ATOM 280 O ALA A 21 1.253 2.161 9.315 1.00 0.00 O ATOM 281 CB ALA A 21 -1.470 2.553 11.265 1.00 0.00 C ATOM 0 H ALA A 21 -2.964 3.242 9.381 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.448 3.883 9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.630 2.464 11.954 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.148 3.330 11.618 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.002 1.603 11.216 1.00 0.00 H new ATOM 287 N THR A 22 -0.432 0.687 9.087 1.00 0.00 N ATOM 288 CA THR A 22 0.429 -0.391 8.617 1.00 0.00 C ATOM 289 C THR A 22 1.190 0.020 7.362 1.00 0.00 C ATOM 290 O THR A 22 2.421 -0.007 7.332 1.00 0.00 O ATOM 291 CB THR A 22 -0.380 -1.667 8.318 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.260 -1.956 9.411 1.00 0.00 O ATOM 293 CG2 THR A 22 0.544 -2.851 8.078 1.00 0.00 C ATOM 0 H THR A 22 -1.420 0.441 9.151 1.00 0.00 H new ATOM 0 HA THR A 22 1.139 -0.599 9.417 1.00 0.00 H new ATOM 0 HB THR A 22 -0.966 -1.496 7.415 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.653 -2.845 9.288 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.051 -3.740 7.869 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.192 -2.640 7.228 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.154 -3.023 8.965 1.00 0.00 H new ATOM 301 N LEU A 23 0.450 0.403 6.327 1.00 0.00 N ATOM 302 CA LEU A 23 1.055 0.822 5.067 1.00 0.00 C ATOM 303 C LEU A 23 2.046 1.960 5.291 1.00 0.00 C ATOM 304 O LEU A 23 3.231 1.835 4.981 1.00 0.00 O ATOM 305 CB LEU A 23 -0.028 1.259 4.079 1.00 0.00 C ATOM 306 CG LEU A 23 -0.616 0.158 3.196 1.00 0.00 C ATOM 307 CD1 LEU A 23 -1.838 0.669 2.450 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.430 -0.359 2.220 1.00 0.00 C ATOM 0 H LEU A 23 -0.570 0.432 6.335 1.00 0.00 H new ATOM 0 HA LEU A 23 1.595 -0.028 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.841 1.718 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.389 2.031 3.433 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.926 -0.668 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.243 -0.128 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.594 0.989 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.554 1.513 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.006 -1.142 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.771 0.459 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.276 -0.765 2.775 1.00 0.00 H new ATOM 320 N LYS A 24 1.553 3.068 5.832 1.00 0.00 N ATOM 321 CA LYS A 24 2.394 4.228 6.101 1.00 0.00 C ATOM 322 C LYS A 24 3.712 3.807 6.745 1.00 0.00 C ATOM 323 O LYS A 24 4.781 4.282 6.362 1.00 0.00 O ATOM 324 CB LYS A 24 1.661 5.215 7.013 1.00 0.00 C ATOM 325 CG LYS A 24 2.062 6.663 6.789 1.00 0.00 C ATOM 326 CD LYS A 24 1.796 7.512 8.021 1.00 0.00 C ATOM 327 CE LYS A 24 2.999 7.537 8.952 1.00 0.00 C ATOM 328 NZ LYS A 24 2.950 6.434 9.951 1.00 0.00 N ATOM 0 H LYS A 24 0.574 3.187 6.093 1.00 0.00 H new ATOM 0 HA LYS A 24 2.613 4.715 5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.587 5.115 6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.855 4.950 8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.120 6.713 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.510 7.068 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.549 8.529 7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.930 7.120 8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.914 7.455 8.365 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.037 8.495 9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.528 6.688 10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.966 6.280 10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.322 5.562 9.524 1.00 0.00 H new ATOM 342 N LYS A 25 3.627 2.913 7.724 1.00 0.00 N ATOM 343 CA LYS A 25 4.812 2.425 8.419 1.00 0.00 C ATOM 344 C LYS A 25 5.906 2.041 7.427 1.00 0.00 C ATOM 345 O LYS A 25 7.072 2.391 7.608 1.00 0.00 O ATOM 346 CB LYS A 25 4.456 1.221 9.293 1.00 0.00 C ATOM 347 CG LYS A 25 5.425 0.994 10.441 1.00 0.00 C ATOM 348 CD LYS A 25 6.663 0.241 9.985 1.00 0.00 C ATOM 349 CE LYS A 25 6.427 -1.262 9.968 1.00 0.00 C ATOM 350 NZ LYS A 25 7.572 -1.996 9.363 1.00 0.00 N ATOM 0 H LYS A 25 2.749 2.512 8.054 1.00 0.00 H new ATOM 0 HA LYS A 25 5.187 3.228 9.053 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.453 1.360 9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.428 0.327 8.671 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.718 1.954 10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.928 0.433 11.232 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.948 0.577 8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.496 0.472 10.649 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.266 -1.616 10.986 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.518 -1.481 9.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.373 -3.017 9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.710 -1.677 8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.434 -1.808 9.913 1.00 0.00 H new ATOM 364 N TYR A 26 5.521 1.321 6.379 1.00 0.00 N ATOM 365 CA TYR A 26 6.469 0.889 5.360 1.00 0.00 C ATOM 366 C TYR A 26 6.966 2.076 4.539 1.00 0.00 C ATOM 367 O TYR A 26 8.135 2.136 4.159 1.00 0.00 O ATOM 368 CB TYR A 26 5.823 -0.147 4.438 1.00 0.00 C ATOM 369 CG TYR A 26 5.495 -1.451 5.129 1.00 0.00 C ATOM 370 CD1 TYR A 26 6.495 -2.364 5.443 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.186 -1.772 5.468 1.00 0.00 C ATOM 372 CE1 TYR A 26 6.201 -3.557 6.074 1.00 0.00 C ATOM 373 CE2 TYR A 26 3.883 -2.962 6.100 1.00 0.00 C ATOM 374 CZ TYR A 26 4.893 -3.851 6.401 1.00 0.00 C ATOM 375 OH TYR A 26 4.595 -5.039 7.029 1.00 0.00 O ATOM 0 H TYR A 26 4.559 1.025 6.213 1.00 0.00 H new ATOM 0 HA TYR A 26 7.323 0.436 5.864 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.909 0.272 4.018 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.494 -0.347 3.603 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.520 -2.137 5.189 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.392 -1.079 5.233 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.990 -4.256 6.310 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.860 -3.195 6.357 1.00 0.00 H new ATOM 0 HH TYR A 26 3.630 -5.091 7.190 1.00 0.00 H new ATOM 385 N TRP A 27 6.069 3.018 4.272 1.00 0.00 N ATOM 386 CA TRP A 27 6.414 4.204 3.498 1.00 0.00 C ATOM 387 C TRP A 27 7.535 4.987 4.172 1.00 0.00 C ATOM 388 O TRP A 27 8.208 5.799 3.537 1.00 0.00 O ATOM 389 CB TRP A 27 5.186 5.098 3.320 1.00 0.00 C ATOM 390 CG TRP A 27 5.505 6.434 2.720 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.027 7.519 3.366 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.322 6.827 1.355 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.179 8.562 2.484 1.00 0.00 N ATOM 394 CE2 TRP A 27 5.755 8.163 1.245 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.838 6.179 0.216 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.714 8.860 0.040 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.798 6.873 -0.978 1.00 0.00 C ATOM 398 CH2 TRP A 27 5.235 8.202 -1.059 1.00 0.00 C ATOM 0 H TRP A 27 5.097 2.983 4.580 1.00 0.00 H new ATOM 0 HA TRP A 27 6.762 3.878 2.518 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.462 4.586 2.686 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.711 5.247 4.290 1.00 0.00 H new ATOM 0 HD1 TRP A 27 6.282 7.552 4.415 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.548 9.484 2.715 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.501 5.154 0.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.049 9.885 -0.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.423 6.383 -1.864 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.193 8.717 -2.008 1.00 0.00 H new ATOM 409 N ASP A 28 7.730 4.739 5.463 1.00 0.00 N ATOM 410 CA ASP A 28 8.771 5.421 6.224 1.00 0.00 C ATOM 411 C ASP A 28 10.118 4.728 6.043 1.00 0.00 C ATOM 412 O ASP A 28 11.139 5.193 6.547 1.00 0.00 O ATOM 413 CB ASP A 28 8.402 5.465 7.707 1.00 0.00 C ATOM 414 CG ASP A 28 9.265 6.435 8.490 1.00 0.00 C ATOM 415 OD1 ASP A 28 9.185 7.652 8.220 1.00 0.00 O ATOM 416 OD2 ASP A 28 10.023 5.977 9.371 1.00 0.00 O ATOM 0 H ASP A 28 7.181 4.071 6.004 1.00 0.00 H new ATOM 0 HA ASP A 28 8.853 6.441 5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.355 5.750 7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.504 4.467 8.133 1.00 0.00 H new ATOM 421 N ASN A 29 10.112 3.613 5.320 1.00 0.00 N ATOM 422 CA ASN A 29 11.333 2.855 5.073 1.00 0.00 C ATOM 423 C ASN A 29 11.714 2.901 3.597 1.00 0.00 C ATOM 424 O ASN A 29 12.524 2.102 3.129 1.00 0.00 O ATOM 425 CB ASN A 29 11.156 1.403 5.521 1.00 0.00 C ATOM 426 CG ASN A 29 12.438 0.601 5.404 1.00 0.00 C ATOM 427 OD1 ASN A 29 13.472 0.978 5.957 1.00 0.00 O ATOM 428 ND2 ASN A 29 12.376 -0.512 4.682 1.00 0.00 N ATOM 0 H ASN A 29 9.275 3.214 4.895 1.00 0.00 H new ATOM 0 HA ASN A 29 12.137 3.311 5.651 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.812 1.384 6.555 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.380 0.932 4.918 1.00 0.00 H new ATOM 0 HD21 ASN A 29 13.207 -1.093 4.568 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.498 -0.786 4.242 1.00 0.00 H new ATOM 435 N GLY A 30 11.122 3.842 2.867 1.00 0.00 N ATOM 436 CA GLY A 30 11.411 3.975 1.452 1.00 0.00 C ATOM 437 C GLY A 30 10.464 3.166 0.588 1.00 0.00 C ATOM 438 O GLY A 30 10.795 2.811 -0.543 1.00 0.00 O ATOM 0 H GLY A 30 10.447 4.515 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.348 5.026 1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.435 3.654 1.262 1.00 0.00 H new ATOM 442 N MET A 31 9.283 2.873 1.122 1.00 0.00 N ATOM 443 CA MET A 31 8.285 2.100 0.391 1.00 0.00 C ATOM 444 C MET A 31 7.484 2.996 -0.548 1.00 0.00 C ATOM 445 O MET A 31 6.278 2.814 -0.719 1.00 0.00 O ATOM 446 CB MET A 31 7.343 1.392 1.367 1.00 0.00 C ATOM 447 CG MET A 31 6.678 0.157 0.781 1.00 0.00 C ATOM 448 SD MET A 31 5.044 -0.149 1.479 1.00 0.00 S ATOM 449 CE MET A 31 4.065 1.062 0.595 1.00 0.00 C ATOM 0 H MET A 31 8.994 3.159 2.057 1.00 0.00 H new ATOM 0 HA MET A 31 8.807 1.352 -0.207 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.903 1.105 2.257 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.572 2.092 1.688 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.591 0.274 -0.299 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.313 -0.711 0.958 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.096 0.632 0.342 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.919 1.941 1.223 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.583 1.352 -0.319 1.00 0.00 H new ATOM 459 N THR A 32 8.162 3.965 -1.156 1.00 0.00 N ATOM 460 CA THR A 32 7.513 4.890 -2.076 1.00 0.00 C ATOM 461 C THR A 32 7.412 4.293 -3.475 1.00 0.00 C ATOM 462 O THR A 32 6.435 4.522 -4.189 1.00 0.00 O ATOM 463 CB THR A 32 8.272 6.229 -2.155 1.00 0.00 C ATOM 464 OG1 THR A 32 9.542 6.035 -2.788 1.00 0.00 O ATOM 465 CG2 THR A 32 8.475 6.818 -0.768 1.00 0.00 C ATOM 0 H THR A 32 9.160 4.129 -1.027 1.00 0.00 H new ATOM 0 HA THR A 32 6.511 5.071 -1.688 1.00 0.00 H new ATOM 0 HB THR A 32 7.676 6.926 -2.744 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.018 6.890 -2.836 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.013 7.763 -0.849 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.506 6.991 -0.301 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.052 6.123 -0.158 1.00 0.00 H new ATOM 473 N SER A 33 8.426 3.526 -3.861 1.00 0.00 N ATOM 474 CA SER A 33 8.453 2.898 -5.177 1.00 0.00 C ATOM 475 C SER A 33 8.051 1.429 -5.086 1.00 0.00 C ATOM 476 O SER A 33 7.861 0.892 -3.994 1.00 0.00 O ATOM 477 CB SER A 33 9.846 3.020 -5.796 1.00 0.00 C ATOM 478 OG SER A 33 10.302 4.362 -5.767 1.00 0.00 O ATOM 0 H SER A 33 9.240 3.324 -3.281 1.00 0.00 H new ATOM 0 HA SER A 33 7.735 3.415 -5.813 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.545 2.383 -5.254 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.822 2.663 -6.826 1.00 0.00 H new ATOM 0 HG SER A 33 11.195 4.413 -6.167 1.00 0.00 H new ATOM 484 N LEU A 34 7.923 0.785 -6.240 1.00 0.00 N ATOM 485 CA LEU A 34 7.544 -0.623 -6.293 1.00 0.00 C ATOM 486 C LEU A 34 8.745 -1.498 -6.639 1.00 0.00 C ATOM 487 O LEU A 34 9.262 -2.223 -5.790 1.00 0.00 O ATOM 488 CB LEU A 34 6.433 -0.834 -7.322 1.00 0.00 C ATOM 489 CG LEU A 34 5.191 0.042 -7.158 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.463 0.192 -8.485 1.00 0.00 C ATOM 491 CD2 LEU A 34 4.263 -0.540 -6.102 1.00 0.00 C ATOM 0 H LEU A 34 8.076 1.215 -7.152 1.00 0.00 H new ATOM 0 HA LEU A 34 7.179 -0.912 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.847 -0.660 -8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.124 -1.879 -7.284 1.00 0.00 H new ATOM 0 HG LEU A 34 5.510 1.031 -6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.582 0.819 -8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.128 0.655 -9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.157 -0.790 -8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.384 0.097 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.953 -1.541 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.786 -0.594 -5.147 1.00 0.00 H new ATOM 503 N GLY A 35 9.186 -1.422 -7.891 1.00 0.00 N ATOM 504 CA GLY A 35 10.324 -2.210 -8.326 1.00 0.00 C ATOM 505 C GLY A 35 10.377 -3.570 -7.658 1.00 0.00 C ATOM 506 O GLY A 35 9.368 -4.271 -7.581 1.00 0.00 O ATOM 0 H GLY A 35 8.775 -0.829 -8.612 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.279 -2.341 -9.407 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.243 -1.666 -8.109 1.00 0.00 H new ATOM 510 N SER A 36 11.557 -3.945 -7.175 1.00 0.00 N ATOM 511 CA SER A 36 11.739 -5.232 -6.515 1.00 0.00 C ATOM 512 C SER A 36 12.191 -5.044 -5.070 1.00 0.00 C ATOM 513 O SER A 36 11.726 -5.739 -4.166 1.00 0.00 O ATOM 514 CB SER A 36 12.762 -6.079 -7.275 1.00 0.00 C ATOM 515 OG SER A 36 12.507 -7.462 -7.104 1.00 0.00 O ATOM 0 H SER A 36 12.401 -3.375 -7.228 1.00 0.00 H new ATOM 0 HA SER A 36 10.779 -5.749 -6.512 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.730 -5.829 -8.335 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.766 -5.845 -6.922 1.00 0.00 H new ATOM 0 HG SER A 36 13.173 -7.981 -7.601 1.00 0.00 H new ATOM 521 N VAL A 37 13.101 -4.098 -4.860 1.00 0.00 N ATOM 522 CA VAL A 37 13.616 -3.815 -3.526 1.00 0.00 C ATOM 523 C VAL A 37 12.482 -3.517 -2.551 1.00 0.00 C ATOM 524 O VAL A 37 12.596 -3.775 -1.352 1.00 0.00 O ATOM 525 CB VAL A 37 14.592 -2.624 -3.541 1.00 0.00 C ATOM 526 CG1 VAL A 37 13.941 -1.408 -4.182 1.00 0.00 C ATOM 527 CG2 VAL A 37 15.065 -2.305 -2.131 1.00 0.00 C ATOM 0 H VAL A 37 13.497 -3.515 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 37 14.149 -4.707 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 37 15.462 -2.897 -4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.646 -0.576 -4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.657 -1.645 -5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.053 -1.130 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.754 -1.461 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.207 -2.052 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.573 -3.174 -1.712 1.00 0.00 H new ATOM 537 N CYS A 38 11.389 -2.971 -3.073 1.00 0.00 N ATOM 538 CA CYS A 38 10.234 -2.636 -2.248 1.00 0.00 C ATOM 539 C CYS A 38 9.156 -3.710 -2.361 1.00 0.00 C ATOM 540 O CYS A 38 8.427 -3.974 -1.405 1.00 0.00 O ATOM 541 CB CYS A 38 9.663 -1.279 -2.660 1.00 0.00 C ATOM 542 SG CYS A 38 10.850 0.082 -2.562 1.00 0.00 S ATOM 0 H CYS A 38 11.279 -2.751 -4.063 1.00 0.00 H new ATOM 0 HA CYS A 38 10.563 -2.584 -1.210 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.290 -1.349 -3.682 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.808 -1.048 -2.024 1.00 0.00 H new ATOM 0 HG CYS A 38 10.462 0.932 -1.658 1.00 0.00 H new ATOM 548 N ARG A 39 9.061 -4.325 -3.535 1.00 0.00 N ATOM 549 CA ARG A 39 8.071 -5.367 -3.774 1.00 0.00 C ATOM 550 C ARG A 39 7.959 -6.297 -2.569 1.00 0.00 C ATOM 551 O ARG A 39 6.859 -6.657 -2.151 1.00 0.00 O ATOM 552 CB ARG A 39 8.438 -6.173 -5.021 1.00 0.00 C ATOM 553 CG ARG A 39 7.302 -7.037 -5.545 1.00 0.00 C ATOM 554 CD ARG A 39 7.693 -7.756 -6.826 1.00 0.00 C ATOM 555 NE ARG A 39 7.688 -6.860 -7.980 1.00 0.00 N ATOM 556 CZ ARG A 39 7.770 -7.281 -9.237 1.00 0.00 C ATOM 557 NH1 ARG A 39 7.863 -8.577 -9.501 1.00 0.00 N ATOM 558 NH2 ARG A 39 7.759 -6.404 -10.233 1.00 0.00 N ATOM 0 H ARG A 39 9.658 -4.119 -4.336 1.00 0.00 H new ATOM 0 HA ARG A 39 7.105 -4.886 -3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.753 -5.487 -5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.292 -6.810 -4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.021 -7.769 -4.787 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.426 -6.415 -5.729 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.686 -8.191 -6.709 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.003 -8.580 -7.004 1.00 0.00 H new ATOM 0 HE ARG A 39 7.618 -5.857 -7.811 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.872 -9.254 -8.738 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.926 -8.897 -10.467 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.688 -5.406 -10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.822 -6.728 -11.198 1.00 0.00 H new ATOM 572 N GLU A 40 9.106 -6.682 -2.017 1.00 0.00 N ATOM 573 CA GLU A 40 9.135 -7.571 -0.861 1.00 0.00 C ATOM 574 C GLU A 40 8.257 -7.031 0.263 1.00 0.00 C ATOM 575 O GLU A 40 7.363 -7.721 0.754 1.00 0.00 O ATOM 576 CB GLU A 40 10.571 -7.746 -0.362 1.00 0.00 C ATOM 577 CG GLU A 40 11.448 -8.556 -1.302 1.00 0.00 C ATOM 578 CD GLU A 40 12.840 -8.788 -0.747 1.00 0.00 C ATOM 579 OE1 GLU A 40 12.949 -9.220 0.420 1.00 0.00 O ATOM 580 OE2 GLU A 40 13.820 -8.538 -1.480 1.00 0.00 O ATOM 0 H GLU A 40 10.025 -6.393 -2.351 1.00 0.00 H new ATOM 0 HA GLU A 40 8.744 -8.540 -1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.019 -6.763 -0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.551 -8.233 0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.974 -9.518 -1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.524 -8.039 -2.258 1.00 0.00 H new ATOM 587 N LYS A 41 8.517 -5.792 0.667 1.00 0.00 N ATOM 588 CA LYS A 41 7.751 -5.157 1.733 1.00 0.00 C ATOM 589 C LYS A 41 6.253 -5.275 1.471 1.00 0.00 C ATOM 590 O LYS A 41 5.488 -5.664 2.354 1.00 0.00 O ATOM 591 CB LYS A 41 8.143 -3.684 1.862 1.00 0.00 C ATOM 592 CG LYS A 41 9.636 -3.463 2.027 1.00 0.00 C ATOM 593 CD LYS A 41 10.148 -4.058 3.328 1.00 0.00 C ATOM 594 CE LYS A 41 10.589 -5.502 3.146 1.00 0.00 C ATOM 595 NZ LYS A 41 12.001 -5.596 2.682 1.00 0.00 N ATOM 0 H LYS A 41 9.253 -5.207 0.272 1.00 0.00 H new ATOM 0 HA LYS A 41 7.980 -5.671 2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.801 -3.147 0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.624 -3.252 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.166 -3.912 1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.851 -2.395 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.985 -3.465 3.696 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.365 -4.008 4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.480 -6.037 4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.936 -5.993 2.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.264 -6.596 2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.100 -5.108 1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.627 -5.150 3.383 1.00 0.00 H new ATOM 609 N ILE A 42 5.842 -4.939 0.253 1.00 0.00 N ATOM 610 CA ILE A 42 4.436 -5.010 -0.125 1.00 0.00 C ATOM 611 C ILE A 42 3.862 -6.396 0.152 1.00 0.00 C ATOM 612 O ILE A 42 2.749 -6.527 0.659 1.00 0.00 O ATOM 613 CB ILE A 42 4.235 -4.671 -1.614 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.742 -3.259 -1.910 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.768 -4.804 -1.994 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.180 -3.063 -3.345 1.00 0.00 C ATOM 0 H ILE A 42 6.463 -4.615 -0.489 1.00 0.00 H new ATOM 0 HA ILE A 42 3.909 -4.273 0.481 1.00 0.00 H new ATOM 0 HB ILE A 42 4.810 -5.376 -2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.954 -2.543 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.580 -3.036 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.642 -4.561 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.437 -5.827 -1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.172 -4.119 -1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.527 -2.039 -3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.990 -3.755 -3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.339 -3.253 -4.011 1.00 0.00 H new ATOM 628 N GLU A 43 4.631 -7.427 -0.184 1.00 0.00 N ATOM 629 CA GLU A 43 4.199 -8.803 0.029 1.00 0.00 C ATOM 630 C GLU A 43 3.802 -9.029 1.485 1.00 0.00 C ATOM 631 O GLU A 43 3.072 -9.968 1.802 1.00 0.00 O ATOM 632 CB GLU A 43 5.310 -9.777 -0.365 1.00 0.00 C ATOM 633 CG GLU A 43 5.765 -9.631 -1.808 1.00 0.00 C ATOM 634 CD GLU A 43 6.441 -10.881 -2.337 1.00 0.00 C ATOM 635 OE1 GLU A 43 7.616 -11.114 -1.983 1.00 0.00 O ATOM 636 OE2 GLU A 43 5.796 -11.625 -3.104 1.00 0.00 O ATOM 0 H GLU A 43 5.556 -7.335 -0.605 1.00 0.00 H new ATOM 0 HA GLU A 43 3.327 -8.984 -0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.165 -9.625 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.961 -10.797 -0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.904 -9.396 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.454 -8.790 -1.884 1.00 0.00 H new ATOM 643 N ALA A 44 4.290 -8.162 2.367 1.00 0.00 N ATOM 644 CA ALA A 44 3.986 -8.266 3.789 1.00 0.00 C ATOM 645 C ALA A 44 2.724 -7.485 4.138 1.00 0.00 C ATOM 646 O ALA A 44 1.724 -8.061 4.566 1.00 0.00 O ATOM 647 CB ALA A 44 5.163 -7.771 4.617 1.00 0.00 C ATOM 0 H ALA A 44 4.897 -7.380 2.122 1.00 0.00 H new ATOM 0 HA ALA A 44 3.808 -9.316 4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.923 -7.854 5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.043 -8.375 4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.367 -6.729 4.372 1.00 0.00 H new ATOM 653 N VAL A 45 2.778 -6.169 3.955 1.00 0.00 N ATOM 654 CA VAL A 45 1.639 -5.309 4.251 1.00 0.00 C ATOM 655 C VAL A 45 0.356 -5.869 3.649 1.00 0.00 C ATOM 656 O VAL A 45 -0.738 -5.630 4.160 1.00 0.00 O ATOM 657 CB VAL A 45 1.862 -3.880 3.720 1.00 0.00 C ATOM 658 CG1 VAL A 45 1.899 -3.875 2.199 1.00 0.00 C ATOM 659 CG2 VAL A 45 0.780 -2.945 4.238 1.00 0.00 C ATOM 0 H VAL A 45 3.599 -5.676 3.603 1.00 0.00 H new ATOM 0 HA VAL A 45 1.542 -5.274 5.336 1.00 0.00 H new ATOM 0 HB VAL A 45 2.825 -3.522 4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.057 -2.857 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.713 -4.512 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.953 -4.253 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.953 -1.940 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.196 -3.298 3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.807 -2.926 5.328 1.00 0.00 H new ATOM 669 N ALA A 46 0.497 -6.616 2.559 1.00 0.00 N ATOM 670 CA ALA A 46 -0.650 -7.212 1.887 1.00 0.00 C ATOM 671 C ALA A 46 -1.172 -8.420 2.660 1.00 0.00 C ATOM 672 O ALA A 46 -2.375 -8.555 2.883 1.00 0.00 O ATOM 673 CB ALA A 46 -0.282 -7.612 0.466 1.00 0.00 C ATOM 0 H ALA A 46 1.395 -6.823 2.123 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.444 -6.466 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.149 -8.056 -0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.036 -6.730 -0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.531 -8.337 0.491 1.00 0.00 H new ATOM 679 N THR A 47 -0.258 -9.296 3.065 1.00 0.00 N ATOM 680 CA THR A 47 -0.626 -10.493 3.811 1.00 0.00 C ATOM 681 C THR A 47 -1.055 -10.146 5.231 1.00 0.00 C ATOM 682 O THR A 47 -1.770 -10.911 5.878 1.00 0.00 O ATOM 683 CB THR A 47 0.540 -11.499 3.870 1.00 0.00 C ATOM 684 OG1 THR A 47 0.054 -12.790 4.252 1.00 0.00 O ATOM 685 CG2 THR A 47 1.601 -11.038 4.858 1.00 0.00 C ATOM 0 H THR A 47 0.742 -9.199 2.889 1.00 0.00 H new ATOM 0 HA THR A 47 -1.463 -10.949 3.283 1.00 0.00 H new ATOM 0 HB THR A 47 0.990 -11.560 2.879 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.801 -13.424 4.286 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.414 -11.763 4.883 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.989 -10.068 4.548 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.160 -10.952 5.851 1.00 0.00 H new ATOM 693 N GLU A 48 -0.615 -8.987 5.711 1.00 0.00 N ATOM 694 CA GLU A 48 -0.955 -8.539 7.056 1.00 0.00 C ATOM 695 C GLU A 48 -2.348 -7.917 7.087 1.00 0.00 C ATOM 696 O GLU A 48 -3.103 -8.104 8.042 1.00 0.00 O ATOM 697 CB GLU A 48 0.078 -7.528 7.558 1.00 0.00 C ATOM 698 CG GLU A 48 -0.383 -6.738 8.771 1.00 0.00 C ATOM 699 CD GLU A 48 -0.980 -7.620 9.850 1.00 0.00 C ATOM 700 OE1 GLU A 48 -0.368 -8.661 10.170 1.00 0.00 O ATOM 701 OE2 GLU A 48 -2.058 -7.271 10.374 1.00 0.00 O ATOM 0 H GLU A 48 -0.023 -8.342 5.188 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.950 -9.409 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.999 -8.055 7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.316 -6.834 6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.462 -6.187 9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.123 -6.000 8.460 1.00 0.00 H new ATOM 708 N LEU A 49 -2.682 -7.177 6.036 1.00 0.00 N ATOM 709 CA LEU A 49 -3.984 -6.526 5.942 1.00 0.00 C ATOM 710 C LEU A 49 -4.984 -7.412 5.206 1.00 0.00 C ATOM 711 O LEU A 49 -6.161 -7.074 5.091 1.00 0.00 O ATOM 712 CB LEU A 49 -3.854 -5.181 5.224 1.00 0.00 C ATOM 713 CG LEU A 49 -3.147 -4.071 6.003 1.00 0.00 C ATOM 714 CD1 LEU A 49 -2.995 -2.827 5.141 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.909 -3.747 7.280 1.00 0.00 C ATOM 0 H LEU A 49 -2.070 -7.013 5.237 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.351 -6.357 6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.316 -5.341 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.853 -4.834 4.961 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.152 -4.423 6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.490 -2.048 5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.406 -3.067 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.980 -2.473 4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.391 -2.955 7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.917 -3.416 7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.965 -4.638 7.906 1.00 0.00 H new ATOM 727 N ASN A 50 -4.506 -8.550 4.711 1.00 0.00 N ATOM 728 CA ASN A 50 -5.359 -9.486 3.988 1.00 0.00 C ATOM 729 C ASN A 50 -6.034 -8.803 2.802 1.00 0.00 C ATOM 730 O ASN A 50 -7.237 -8.953 2.588 1.00 0.00 O ATOM 731 CB ASN A 50 -6.418 -10.071 4.924 1.00 0.00 C ATOM 732 CG ASN A 50 -5.859 -11.158 5.822 1.00 0.00 C ATOM 733 OD1 ASN A 50 -4.977 -10.908 6.643 1.00 0.00 O ATOM 734 ND2 ASN A 50 -6.372 -12.374 5.669 1.00 0.00 N ATOM 0 H ASN A 50 -3.534 -8.845 4.798 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.731 -10.293 3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.835 -9.274 5.539 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.237 -10.478 4.332 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.036 -13.146 6.245 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.102 -12.536 4.976 1.00 0.00 H new ATOM 741 N VAL A 51 -5.250 -8.053 2.034 1.00 0.00 N ATOM 742 CA VAL A 51 -5.771 -7.348 0.868 1.00 0.00 C ATOM 743 C VAL A 51 -4.955 -7.671 -0.379 1.00 0.00 C ATOM 744 O VAL A 51 -3.736 -7.828 -0.312 1.00 0.00 O ATOM 745 CB VAL A 51 -5.771 -5.824 1.088 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.693 -5.450 2.238 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.357 -5.323 1.343 1.00 0.00 C ATOM 0 H VAL A 51 -4.252 -7.918 2.198 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.797 -7.687 0.725 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.145 -5.344 0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.680 -4.369 2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.709 -5.774 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.353 -5.939 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.375 -4.244 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.953 -5.809 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.728 -5.557 0.484 1.00 0.00 H new ATOM 757 N ASP A 52 -5.636 -7.769 -1.515 1.00 0.00 N ATOM 758 CA ASP A 52 -4.975 -8.072 -2.779 1.00 0.00 C ATOM 759 C ASP A 52 -3.734 -7.204 -2.965 1.00 0.00 C ATOM 760 O ASP A 52 -3.817 -5.975 -2.956 1.00 0.00 O ATOM 761 CB ASP A 52 -5.939 -7.860 -3.947 1.00 0.00 C ATOM 762 CG ASP A 52 -7.025 -8.917 -4.000 1.00 0.00 C ATOM 763 OD1 ASP A 52 -6.684 -10.117 -4.059 1.00 0.00 O ATOM 764 OD2 ASP A 52 -8.217 -8.544 -3.981 1.00 0.00 O ATOM 0 H ASP A 52 -6.646 -7.643 -1.587 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.666 -9.117 -2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.398 -6.875 -3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.380 -7.870 -4.883 1.00 0.00 H new ATOM 769 N CYS A 53 -2.586 -7.851 -3.131 1.00 0.00 N ATOM 770 CA CYS A 53 -1.327 -7.138 -3.317 1.00 0.00 C ATOM 771 C CYS A 53 -1.516 -5.926 -4.223 1.00 0.00 C ATOM 772 O CYS A 53 -0.958 -4.859 -3.973 1.00 0.00 O ATOM 773 CB CYS A 53 -0.270 -8.072 -3.908 1.00 0.00 C ATOM 774 SG CYS A 53 -0.733 -8.798 -5.498 1.00 0.00 S ATOM 0 H CYS A 53 -2.501 -8.867 -3.141 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.989 -6.789 -2.341 1.00 0.00 H new ATOM 0 HB2 CYS A 53 0.661 -7.518 -4.031 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.072 -8.875 -3.198 1.00 0.00 H new ATOM 0 HG CYS A 53 0.225 -9.570 -5.918 1.00 0.00 H new ATOM 780 N GLU A 54 -2.307 -6.101 -5.278 1.00 0.00 N ATOM 781 CA GLU A 54 -2.567 -5.021 -6.223 1.00 0.00 C ATOM 782 C GLU A 54 -3.063 -3.773 -5.500 1.00 0.00 C ATOM 783 O GLU A 54 -2.604 -2.662 -5.770 1.00 0.00 O ATOM 784 CB GLU A 54 -3.597 -5.463 -7.265 1.00 0.00 C ATOM 785 CG GLU A 54 -3.047 -6.444 -8.287 1.00 0.00 C ATOM 786 CD GLU A 54 -4.006 -6.689 -9.435 1.00 0.00 C ATOM 787 OE1 GLU A 54 -4.378 -5.710 -10.115 1.00 0.00 O ATOM 788 OE2 GLU A 54 -4.384 -7.859 -9.654 1.00 0.00 O ATOM 0 H GLU A 54 -2.778 -6.978 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.631 -4.780 -6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.445 -5.920 -6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.975 -4.583 -7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.105 -6.063 -8.681 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.827 -7.391 -7.794 1.00 0.00 H new ATOM 795 N ILE A 55 -4.003 -3.963 -4.580 1.00 0.00 N ATOM 796 CA ILE A 55 -4.561 -2.853 -3.818 1.00 0.00 C ATOM 797 C ILE A 55 -3.457 -1.997 -3.205 1.00 0.00 C ATOM 798 O ILE A 55 -3.519 -0.768 -3.240 1.00 0.00 O ATOM 799 CB ILE A 55 -5.490 -3.352 -2.695 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.650 -4.157 -3.284 1.00 0.00 C ATOM 801 CG2 ILE A 55 -6.014 -2.178 -1.880 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.462 -4.897 -2.244 1.00 0.00 C ATOM 0 H ILE A 55 -4.394 -4.875 -4.344 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.140 -2.250 -4.517 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.919 -4.003 -2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.307 -3.483 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.255 -4.875 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.669 -2.547 -1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.176 -1.641 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.573 -1.504 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.267 -5.446 -2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.819 -5.596 -1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.887 -4.183 -1.538 1.00 0.00 H new ATOM 814 N VAL A 56 -2.447 -2.655 -2.646 1.00 0.00 N ATOM 815 CA VAL A 56 -1.327 -1.955 -2.029 1.00 0.00 C ATOM 816 C VAL A 56 -0.398 -1.365 -3.084 1.00 0.00 C ATOM 817 O VAL A 56 -0.255 -0.147 -3.188 1.00 0.00 O ATOM 818 CB VAL A 56 -0.516 -2.891 -1.113 1.00 0.00 C ATOM 819 CG1 VAL A 56 0.716 -2.178 -0.577 1.00 0.00 C ATOM 820 CG2 VAL A 56 -1.384 -3.403 0.027 1.00 0.00 C ATOM 0 H VAL A 56 -2.381 -3.672 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.750 -1.149 -1.430 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.184 -3.747 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.276 -2.855 0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.346 -1.865 -1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.409 -1.302 -0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.795 -4.063 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.747 -2.560 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.232 -3.954 -0.380 1.00 0.00 H new ATOM 830 N ARG A 57 0.231 -2.237 -3.865 1.00 0.00 N ATOM 831 CA ARG A 57 1.147 -1.802 -4.913 1.00 0.00 C ATOM 832 C ARG A 57 0.571 -0.616 -5.681 1.00 0.00 C ATOM 833 O ARG A 57 1.295 0.310 -6.049 1.00 0.00 O ATOM 834 CB ARG A 57 1.437 -2.955 -5.877 1.00 0.00 C ATOM 835 CG ARG A 57 2.632 -3.801 -5.471 1.00 0.00 C ATOM 836 CD ARG A 57 2.983 -4.820 -6.545 1.00 0.00 C ATOM 837 NE ARG A 57 3.445 -4.182 -7.775 1.00 0.00 N ATOM 838 CZ ARG A 57 3.859 -4.857 -8.841 1.00 0.00 C ATOM 839 NH1 ARG A 57 3.867 -6.183 -8.829 1.00 0.00 N ATOM 840 NH2 ARG A 57 4.264 -4.205 -9.924 1.00 0.00 N ATOM 0 H ARG A 57 0.123 -3.249 -3.792 1.00 0.00 H new ATOM 0 HA ARG A 57 2.078 -1.489 -4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.556 -3.593 -5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.611 -2.549 -6.874 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.490 -3.155 -5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.413 -4.317 -4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.758 -5.489 -6.171 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.109 -5.434 -6.761 1.00 0.00 H new ATOM 0 HE ARG A 57 3.450 -3.163 -7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.555 -6.687 -7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.186 -6.699 -9.649 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.257 -3.185 -9.938 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.582 -4.724 -10.743 1.00 0.00 H new ATOM 854 N THR A 58 -0.737 -0.650 -5.919 1.00 0.00 N ATOM 855 CA THR A 58 -1.409 0.421 -6.644 1.00 0.00 C ATOM 856 C THR A 58 -1.519 1.679 -5.790 1.00 0.00 C ATOM 857 O THR A 58 -1.375 2.794 -6.290 1.00 0.00 O ATOM 858 CB THR A 58 -2.820 -0.005 -7.094 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.734 -1.131 -7.974 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.533 1.140 -7.796 1.00 0.00 C ATOM 0 H THR A 58 -1.351 -1.407 -5.620 1.00 0.00 H new ATOM 0 HA THR A 58 -0.803 0.635 -7.525 1.00 0.00 H new ATOM 0 HB THR A 58 -3.392 -0.279 -6.208 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.665 -1.954 -7.446 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.527 0.815 -8.104 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.623 1.985 -7.114 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.961 1.441 -8.674 1.00 0.00 H new ATOM 868 N TRP A 59 -1.774 1.491 -4.500 1.00 0.00 N ATOM 869 CA TRP A 59 -1.902 2.613 -3.576 1.00 0.00 C ATOM 870 C TRP A 59 -0.623 3.442 -3.545 1.00 0.00 C ATOM 871 O TRP A 59 -0.671 4.670 -3.478 1.00 0.00 O ATOM 872 CB TRP A 59 -2.231 2.107 -2.170 1.00 0.00 C ATOM 873 CG TRP A 59 -2.071 3.153 -1.110 1.00 0.00 C ATOM 874 CD1 TRP A 59 -3.024 4.028 -0.671 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.887 3.436 -0.357 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.503 4.837 0.310 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.194 4.494 0.522 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.403 2.897 -0.337 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.258 5.021 1.407 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.331 3.422 0.542 1.00 0.00 C ATOM 881 CH2 TRP A 59 0.997 4.475 1.405 1.00 0.00 C ATOM 0 H TRP A 59 -1.896 0.574 -4.070 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.716 3.248 -3.926 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.257 1.739 -2.155 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.585 1.261 -1.936 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.038 4.077 -1.041 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.009 5.574 0.801 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.669 2.085 -0.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.513 5.833 2.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.331 3.014 0.565 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.744 4.863 2.081 1.00 0.00 H new ATOM 892 N ILE A 60 0.518 2.763 -3.594 1.00 0.00 N ATOM 893 CA ILE A 60 1.809 3.438 -3.572 1.00 0.00 C ATOM 894 C ILE A 60 1.964 4.367 -4.772 1.00 0.00 C ATOM 895 O ILE A 60 2.054 5.584 -4.620 1.00 0.00 O ATOM 896 CB ILE A 60 2.972 2.428 -3.566 1.00 0.00 C ATOM 897 CG1 ILE A 60 2.868 1.505 -2.350 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.307 3.158 -3.571 1.00 0.00 C ATOM 899 CD1 ILE A 60 3.817 0.328 -2.403 1.00 0.00 C ATOM 0 H ILE A 60 0.574 1.746 -3.649 1.00 0.00 H new ATOM 0 HA ILE A 60 1.843 4.025 -2.654 1.00 0.00 H new ATOM 0 HB ILE A 60 2.910 1.819 -4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.068 2.082 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.846 1.134 -2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.119 2.431 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.379 3.778 -4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.380 3.789 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.689 -0.283 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.603 -0.272 -3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.844 0.690 -2.450 1.00 0.00 H new ATOM 911 N GLY A 61 1.992 3.783 -5.966 1.00 0.00 N ATOM 912 CA GLY A 61 2.134 4.573 -7.175 1.00 0.00 C ATOM 913 C GLY A 61 1.193 5.761 -7.205 1.00 0.00 C ATOM 914 O GLY A 61 1.583 6.860 -7.599 1.00 0.00 O ATOM 0 H GLY A 61 1.919 2.777 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.162 4.926 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.944 3.941 -8.043 1.00 0.00 H new ATOM 918 N ASN A 62 -0.049 5.541 -6.788 1.00 0.00 N ATOM 919 CA ASN A 62 -1.049 6.602 -6.771 1.00 0.00 C ATOM 920 C ASN A 62 -0.639 7.720 -5.817 1.00 0.00 C ATOM 921 O ASN A 62 -0.706 8.900 -6.162 1.00 0.00 O ATOM 922 CB ASN A 62 -2.412 6.041 -6.361 1.00 0.00 C ATOM 923 CG ASN A 62 -3.170 5.449 -7.533 1.00 0.00 C ATOM 924 OD1 ASN A 62 -2.937 5.814 -8.686 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.084 4.530 -7.244 1.00 0.00 N ATOM 0 H ASN A 62 -0.387 4.637 -6.457 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.122 7.015 -7.777 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.272 5.275 -5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.008 6.835 -5.910 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.626 4.097 -7.992 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.244 4.257 -6.274 1.00 0.00 H new ATOM 932 N ARG A 63 -0.215 7.340 -4.616 1.00 0.00 N ATOM 933 CA ARG A 63 0.205 8.310 -3.612 1.00 0.00 C ATOM 934 C ARG A 63 1.290 9.230 -4.166 1.00 0.00 C ATOM 935 O ARG A 63 1.119 10.449 -4.213 1.00 0.00 O ATOM 936 CB ARG A 63 0.719 7.592 -2.363 1.00 0.00 C ATOM 937 CG ARG A 63 0.504 8.376 -1.079 1.00 0.00 C ATOM 938 CD ARG A 63 -0.961 8.386 -0.671 1.00 0.00 C ATOM 939 NE ARG A 63 -1.193 9.199 0.520 1.00 0.00 N ATOM 940 CZ ARG A 63 -2.387 9.658 0.875 1.00 0.00 C ATOM 941 NH1 ARG A 63 -3.453 9.385 0.136 1.00 0.00 N ATOM 942 NH2 ARG A 63 -2.518 10.392 1.973 1.00 0.00 N ATOM 0 H ARG A 63 -0.153 6.367 -4.315 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.660 8.917 -3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.220 6.627 -2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.784 7.391 -2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.102 7.939 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.852 9.400 -1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.564 8.769 -1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.292 7.365 -0.482 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.394 9.427 1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.357 8.821 -0.708 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.369 9.739 0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.701 10.604 2.545 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.436 10.744 2.245 1.00 0.00 H new ATOM 956 N ARG A 64 2.404 8.639 -4.583 1.00 0.00 N ATOM 957 CA ARG A 64 3.517 9.405 -5.131 1.00 0.00 C ATOM 958 C ARG A 64 3.012 10.526 -6.035 1.00 0.00 C ATOM 959 O ARG A 64 3.621 11.592 -6.118 1.00 0.00 O ATOM 960 CB ARG A 64 4.458 8.488 -5.915 1.00 0.00 C ATOM 961 CG ARG A 64 5.485 7.783 -5.044 1.00 0.00 C ATOM 962 CD ARG A 64 6.475 6.990 -5.883 1.00 0.00 C ATOM 963 NE ARG A 64 7.201 7.840 -6.823 1.00 0.00 N ATOM 964 CZ ARG A 64 6.738 8.172 -8.022 1.00 0.00 C ATOM 965 NH1 ARG A 64 5.555 7.728 -8.425 1.00 0.00 N ATOM 966 NH2 ARG A 64 7.457 8.950 -8.821 1.00 0.00 N ATOM 0 H ARG A 64 2.560 7.632 -4.552 1.00 0.00 H new ATOM 0 HA ARG A 64 4.064 9.850 -4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.867 7.740 -6.443 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.978 9.076 -6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.021 8.518 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.977 7.114 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.185 6.487 -5.227 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.944 6.213 -6.433 1.00 0.00 H new ATOM 0 HE ARG A 64 8.114 8.198 -6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.999 7.130 -7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.201 7.984 -9.347 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.367 9.294 -8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.100 9.204 -9.742 1.00 0.00 H new