USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=11 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 Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -2.09! C(o=-2.1!,f=-3.3!) USER MOD Single : A 31 MET CE :methyl 141:sc= -2.07 (180deg=-8.08!) USER MOD Single : A 32 THR OG1 : rot 94:sc= 1.41 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -141:sc= -0.467 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 K(o=0,f=-0.64) USER MOD Single : A 53 CYS SG : rot 180:sc= 0.0369 USER MOD Single : A 58 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 62 ASN : amide:sc= -0.906 X(o=-0.91,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 179 N PHE A 15 -9.593 3.508 2.464 1.00 0.00 N ATOM 180 CA PHE A 15 -8.918 2.908 3.609 1.00 0.00 C ATOM 181 C PHE A 15 -9.261 3.655 4.895 1.00 0.00 C ATOM 182 O PHE A 15 -9.753 4.783 4.858 1.00 0.00 O ATOM 183 CB PHE A 15 -7.403 2.910 3.394 1.00 0.00 C ATOM 184 CG PHE A 15 -6.947 1.944 2.338 1.00 0.00 C ATOM 185 CD1 PHE A 15 -7.007 0.578 2.558 1.00 0.00 C ATOM 186 CD2 PHE A 15 -6.457 2.403 1.126 1.00 0.00 C ATOM 187 CE1 PHE A 15 -6.587 -0.313 1.588 1.00 0.00 C ATOM 188 CE2 PHE A 15 -6.036 1.517 0.152 1.00 0.00 C ATOM 189 CZ PHE A 15 -6.102 0.157 0.384 1.00 0.00 C ATOM 0 HA PHE A 15 -9.263 1.878 3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.084 3.915 3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.910 2.667 4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.386 0.205 3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.403 3.466 0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.638 -1.376 1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.656 1.888 -0.789 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.775 -0.538 -0.375 1.00 0.00 H new ATOM 199 N SER A 16 -8.999 3.017 6.031 1.00 0.00 N ATOM 200 CA SER A 16 -9.284 3.618 7.328 1.00 0.00 C ATOM 201 C SER A 16 -7.992 3.935 8.076 1.00 0.00 C ATOM 202 O SER A 16 -6.979 3.257 7.903 1.00 0.00 O ATOM 203 CB SER A 16 -10.155 2.682 8.168 1.00 0.00 C ATOM 204 OG SER A 16 -10.947 3.411 9.090 1.00 0.00 O ATOM 0 H SER A 16 -8.590 2.084 6.079 1.00 0.00 H new ATOM 0 HA SER A 16 -9.823 4.550 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.800 2.096 7.514 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.522 1.977 8.706 1.00 0.00 H new ATOM 0 HG SER A 16 -11.495 2.790 9.613 1.00 0.00 H new ATOM 210 N ASP A 17 -8.036 4.971 8.906 1.00 0.00 N ATOM 211 CA ASP A 17 -6.870 5.379 9.682 1.00 0.00 C ATOM 212 C ASP A 17 -6.070 4.163 10.140 1.00 0.00 C ATOM 213 O ASP A 17 -4.855 4.099 9.949 1.00 0.00 O ATOM 214 CB ASP A 17 -7.301 6.208 10.893 1.00 0.00 C ATOM 215 CG ASP A 17 -7.808 7.582 10.503 1.00 0.00 C ATOM 216 OD1 ASP A 17 -8.322 7.727 9.374 1.00 0.00 O ATOM 217 OD2 ASP A 17 -7.692 8.513 11.327 1.00 0.00 O ATOM 0 H ASP A 17 -8.866 5.544 9.059 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.234 5.990 9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.083 5.676 11.434 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.458 6.315 11.575 1.00 0.00 H new ATOM 222 N ARG A 18 -6.759 3.202 10.747 1.00 0.00 N ATOM 223 CA ARG A 18 -6.112 1.990 11.235 1.00 0.00 C ATOM 224 C ARG A 18 -5.347 1.294 10.114 1.00 0.00 C ATOM 225 O ARG A 18 -4.164 0.981 10.257 1.00 0.00 O ATOM 226 CB ARG A 18 -7.151 1.036 11.828 1.00 0.00 C ATOM 227 CG ARG A 18 -7.661 1.463 13.194 1.00 0.00 C ATOM 228 CD ARG A 18 -8.742 2.526 13.078 1.00 0.00 C ATOM 229 NE ARG A 18 -9.358 2.824 14.368 1.00 0.00 N ATOM 230 CZ ARG A 18 -10.559 3.375 14.500 1.00 0.00 C ATOM 231 NH1 ARG A 18 -11.270 3.686 13.425 1.00 0.00 N ATOM 232 NH2 ARG A 18 -11.052 3.615 15.708 1.00 0.00 N ATOM 0 H ARG A 18 -7.765 3.239 10.912 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.403 2.273 12.013 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.995 0.960 11.142 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.714 0.041 11.908 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.057 0.596 13.723 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.833 1.848 13.789 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.311 3.437 12.663 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.508 2.189 12.380 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.837 2.596 15.215 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.895 3.502 12.495 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.192 4.109 13.528 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.508 3.376 16.537 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.975 4.038 15.807 1.00 0.00 H new ATOM 246 N ASP A 19 -6.029 1.053 9.000 1.00 0.00 N ATOM 247 CA ASP A 19 -5.413 0.393 7.854 1.00 0.00 C ATOM 248 C ASP A 19 -4.235 1.207 7.327 1.00 0.00 C ATOM 249 O ASP A 19 -3.123 0.694 7.193 1.00 0.00 O ATOM 250 CB ASP A 19 -6.443 0.187 6.743 1.00 0.00 C ATOM 251 CG ASP A 19 -7.440 -0.907 7.073 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.028 -2.084 7.138 1.00 0.00 O ATOM 253 OD2 ASP A 19 -8.631 -0.586 7.266 1.00 0.00 O ATOM 0 H ASP A 19 -7.008 1.305 8.866 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.043 -0.579 8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.977 1.121 6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.928 -0.063 5.816 1.00 0.00 H new ATOM 258 N LEU A 20 -4.485 2.477 7.030 1.00 0.00 N ATOM 259 CA LEU A 20 -3.445 3.362 6.517 1.00 0.00 C ATOM 260 C LEU A 20 -2.202 3.311 7.400 1.00 0.00 C ATOM 261 O LEU A 20 -1.090 3.115 6.911 1.00 0.00 O ATOM 262 CB LEU A 20 -3.966 4.798 6.432 1.00 0.00 C ATOM 263 CG LEU A 20 -4.853 5.121 5.229 1.00 0.00 C ATOM 264 CD1 LEU A 20 -5.526 6.473 5.409 1.00 0.00 C ATOM 265 CD2 LEU A 20 -4.038 5.095 3.944 1.00 0.00 C ATOM 0 H LEU A 20 -5.399 2.917 7.136 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.173 3.021 5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.528 5.013 7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.110 5.473 6.419 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.629 4.359 5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.153 6.686 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.142 6.456 6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.766 7.248 5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.685 5.327 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.240 5.835 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.604 4.104 3.808 1.00 0.00 H new ATOM 277 N ALA A 21 -2.400 3.488 8.702 1.00 0.00 N ATOM 278 CA ALA A 21 -1.296 3.458 9.653 1.00 0.00 C ATOM 279 C ALA A 21 -0.277 2.388 9.278 1.00 0.00 C ATOM 280 O ALA A 21 0.924 2.653 9.217 1.00 0.00 O ATOM 281 CB ALA A 21 -1.820 3.220 11.062 1.00 0.00 C ATOM 0 H ALA A 21 -3.315 3.654 9.122 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.795 4.426 9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.985 3.200 11.762 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.504 4.023 11.336 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.347 2.266 11.098 1.00 0.00 H new ATOM 287 N THR A 22 -0.763 1.176 9.027 1.00 0.00 N ATOM 288 CA THR A 22 0.106 0.065 8.659 1.00 0.00 C ATOM 289 C THR A 22 0.900 0.383 7.397 1.00 0.00 C ATOM 290 O THR A 22 2.113 0.173 7.345 1.00 0.00 O ATOM 291 CB THR A 22 -0.701 -1.228 8.433 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.459 -1.543 9.606 1.00 0.00 O ATOM 293 CG2 THR A 22 0.222 -2.388 8.092 1.00 0.00 C ATOM 0 H THR A 22 -1.754 0.939 9.072 1.00 0.00 H new ATOM 0 HA THR A 22 0.795 -0.086 9.490 1.00 0.00 H new ATOM 0 HB THR A 22 -1.380 -1.066 7.596 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.971 -2.365 9.454 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.370 -3.290 7.937 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.776 -2.157 7.183 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.922 -2.550 8.912 1.00 0.00 H new ATOM 301 N LEU A 23 0.210 0.889 6.382 1.00 0.00 N ATOM 302 CA LEU A 23 0.852 1.237 5.119 1.00 0.00 C ATOM 303 C LEU A 23 1.945 2.279 5.332 1.00 0.00 C ATOM 304 O LEU A 23 3.106 2.056 4.986 1.00 0.00 O ATOM 305 CB LEU A 23 -0.185 1.766 4.126 1.00 0.00 C ATOM 306 CG LEU A 23 -0.942 0.710 3.320 1.00 0.00 C ATOM 307 CD1 LEU A 23 -2.104 1.342 2.570 1.00 0.00 C ATOM 308 CD2 LEU A 23 -0.004 0.001 2.354 1.00 0.00 C ATOM 0 H LEU A 23 -0.794 1.068 6.408 1.00 0.00 H new ATOM 0 HA LEU A 23 1.310 0.335 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.912 2.365 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.318 2.435 3.428 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.343 -0.029 4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.631 0.575 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.790 1.802 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.726 2.103 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.561 -0.747 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.428 0.728 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.794 -0.487 2.914 1.00 0.00 H new ATOM 320 N LYS A 24 1.568 3.416 5.906 1.00 0.00 N ATOM 321 CA LYS A 24 2.516 4.491 6.170 1.00 0.00 C ATOM 322 C LYS A 24 3.756 3.961 6.884 1.00 0.00 C ATOM 323 O LYS A 24 4.877 4.385 6.601 1.00 0.00 O ATOM 324 CB LYS A 24 1.857 5.585 7.014 1.00 0.00 C ATOM 325 CG LYS A 24 1.037 6.570 6.200 1.00 0.00 C ATOM 326 CD LYS A 24 0.232 7.498 7.094 1.00 0.00 C ATOM 327 CE LYS A 24 -0.959 6.783 7.712 1.00 0.00 C ATOM 328 NZ LYS A 24 -1.332 7.364 9.032 1.00 0.00 N ATOM 0 H LYS A 24 0.611 3.617 6.198 1.00 0.00 H new ATOM 0 HA LYS A 24 2.822 4.914 5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.213 5.119 7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.630 6.129 7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.699 7.159 5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.363 6.025 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.873 7.890 7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.116 8.352 6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.811 6.844 7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.724 5.726 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.148 6.849 9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.528 7.283 9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.581 8.367 8.912 1.00 0.00 H new ATOM 342 N LYS A 25 3.548 3.031 7.810 1.00 0.00 N ATOM 343 CA LYS A 25 4.648 2.440 8.563 1.00 0.00 C ATOM 344 C LYS A 25 5.723 1.904 7.623 1.00 0.00 C ATOM 345 O LYS A 25 6.910 2.177 7.804 1.00 0.00 O ATOM 346 CB LYS A 25 4.131 1.313 9.460 1.00 0.00 C ATOM 347 CG LYS A 25 5.045 1.003 10.633 1.00 0.00 C ATOM 348 CD LYS A 25 5.050 2.133 11.650 1.00 0.00 C ATOM 349 CE LYS A 25 5.363 1.623 13.048 1.00 0.00 C ATOM 350 NZ LYS A 25 6.818 1.365 13.232 1.00 0.00 N ATOM 0 H LYS A 25 2.627 2.670 8.057 1.00 0.00 H new ATOM 0 HA LYS A 25 5.090 3.218 9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.146 1.585 9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.004 0.412 8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.721 0.080 11.114 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.059 0.834 10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.788 2.881 11.361 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.079 2.627 11.651 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.028 2.353 13.784 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.805 0.705 13.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.990 1.019 14.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.133 0.649 12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.349 2.247 13.081 1.00 0.00 H new ATOM 364 N TYR A 26 5.301 1.142 6.621 1.00 0.00 N ATOM 365 CA TYR A 26 6.228 0.567 5.654 1.00 0.00 C ATOM 366 C TYR A 26 6.837 1.653 4.771 1.00 0.00 C ATOM 367 O TYR A 26 8.012 1.588 4.410 1.00 0.00 O ATOM 368 CB TYR A 26 5.515 -0.471 4.786 1.00 0.00 C ATOM 369 CG TYR A 26 5.418 -1.835 5.431 1.00 0.00 C ATOM 370 CD1 TYR A 26 6.433 -2.771 5.276 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.312 -2.189 6.193 1.00 0.00 C ATOM 372 CE1 TYR A 26 6.349 -4.020 5.863 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.220 -3.434 6.784 1.00 0.00 C ATOM 374 CZ TYR A 26 5.241 -4.346 6.616 1.00 0.00 C ATOM 375 OH TYR A 26 5.152 -5.588 7.202 1.00 0.00 O ATOM 0 H TYR A 26 4.322 0.908 6.457 1.00 0.00 H new ATOM 0 HA TYR A 26 7.031 0.079 6.206 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.511 -0.114 4.558 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.043 -0.564 3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.302 -2.519 4.687 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.510 -1.478 6.326 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.147 -4.736 5.732 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.353 -3.692 7.374 1.00 0.00 H new ATOM 0 HH TYR A 26 4.310 -5.656 7.698 1.00 0.00 H new ATOM 385 N TRP A 27 6.029 2.649 4.428 1.00 0.00 N ATOM 386 CA TRP A 27 6.487 3.750 3.588 1.00 0.00 C ATOM 387 C TRP A 27 7.781 4.347 4.131 1.00 0.00 C ATOM 388 O TRP A 27 8.646 4.774 3.367 1.00 0.00 O ATOM 389 CB TRP A 27 5.410 4.832 3.498 1.00 0.00 C ATOM 390 CG TRP A 27 5.861 6.059 2.764 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.854 6.918 3.137 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.332 6.564 1.533 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.976 7.927 2.212 1.00 0.00 N ATOM 394 CE2 TRP A 27 6.054 7.732 1.218 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.321 6.142 0.666 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.794 8.480 0.073 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.064 6.886 -0.470 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.798 8.045 -0.758 1.00 0.00 C ATOM 0 H TRP A 27 5.054 2.717 4.718 1.00 0.00 H new ATOM 0 HA TRP A 27 6.681 3.357 2.590 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.533 4.421 2.999 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.102 5.112 4.505 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.456 6.819 4.028 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.644 8.696 2.258 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.750 5.250 0.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.359 9.373 -0.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.285 6.569 -1.147 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.573 8.605 -1.653 1.00 0.00 H new ATOM 409 N ASP A 28 7.906 4.373 5.453 1.00 0.00 N ATOM 410 CA ASP A 28 9.096 4.917 6.098 1.00 0.00 C ATOM 411 C ASP A 28 10.358 4.253 5.558 1.00 0.00 C ATOM 412 O ASP A 28 11.436 4.845 5.570 1.00 0.00 O ATOM 413 CB ASP A 28 9.012 4.727 7.613 1.00 0.00 C ATOM 414 CG ASP A 28 10.379 4.689 8.268 1.00 0.00 C ATOM 415 OD1 ASP A 28 11.082 3.668 8.114 1.00 0.00 O ATOM 416 OD2 ASP A 28 10.747 5.679 8.933 1.00 0.00 O ATOM 0 H ASP A 28 7.198 4.024 6.099 1.00 0.00 H new ATOM 0 HA ASP A 28 9.145 5.983 5.876 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.427 5.538 8.046 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.482 3.800 7.831 1.00 0.00 H new ATOM 421 N ASN A 29 10.216 3.018 5.086 1.00 0.00 N ATOM 422 CA ASN A 29 11.345 2.273 4.544 1.00 0.00 C ATOM 423 C ASN A 29 11.442 2.456 3.032 1.00 0.00 C ATOM 424 O ASN A 29 11.889 1.562 2.315 1.00 0.00 O ATOM 425 CB ASN A 29 11.211 0.786 4.881 1.00 0.00 C ATOM 426 CG ASN A 29 12.304 -0.052 4.246 1.00 0.00 C ATOM 427 OD1 ASN A 29 12.064 -0.776 3.279 1.00 0.00 O ATOM 428 ND2 ASN A 29 13.512 0.043 4.787 1.00 0.00 N ATOM 0 H ASN A 29 9.330 2.513 5.068 1.00 0.00 H new ATOM 0 HA ASN A 29 12.256 2.661 4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.241 0.657 5.963 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.239 0.426 4.544 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.287 -0.497 4.402 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.665 0.656 5.588 1.00 0.00 H new ATOM 435 N GLY A 30 11.020 3.623 2.554 1.00 0.00 N ATOM 436 CA GLY A 30 11.069 3.903 1.131 1.00 0.00 C ATOM 437 C GLY A 30 10.143 3.007 0.332 1.00 0.00 C ATOM 438 O GLY A 30 10.356 2.788 -0.859 1.00 0.00 O ATOM 0 H GLY A 30 10.645 4.379 3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.799 4.945 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.091 3.775 0.774 1.00 0.00 H new ATOM 442 N MET A 31 9.112 2.487 0.991 1.00 0.00 N ATOM 443 CA MET A 31 8.150 1.610 0.333 1.00 0.00 C ATOM 444 C MET A 31 7.483 2.317 -0.841 1.00 0.00 C ATOM 445 O MET A 31 7.070 1.680 -1.811 1.00 0.00 O ATOM 446 CB MET A 31 7.089 1.141 1.331 1.00 0.00 C ATOM 447 CG MET A 31 6.522 -0.233 1.016 1.00 0.00 C ATOM 448 SD MET A 31 4.818 -0.426 1.571 1.00 0.00 S ATOM 449 CE MET A 31 4.039 0.971 0.764 1.00 0.00 C ATOM 0 H MET A 31 8.922 2.657 1.978 1.00 0.00 H new ATOM 0 HA MET A 31 8.689 0.743 -0.048 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.524 1.125 2.330 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.275 1.865 1.350 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.571 -0.404 -0.059 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.142 -0.995 1.489 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.053 0.679 0.404 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.938 1.792 1.474 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.652 1.293 -0.078 1.00 0.00 H new ATOM 459 N THR A 32 7.379 3.639 -0.749 1.00 0.00 N ATOM 460 CA THR A 32 6.760 4.433 -1.803 1.00 0.00 C ATOM 461 C THR A 32 7.202 3.956 -3.181 1.00 0.00 C ATOM 462 O THR A 32 6.468 4.093 -4.160 1.00 0.00 O ATOM 463 CB THR A 32 7.102 5.928 -1.655 1.00 0.00 C ATOM 464 OG1 THR A 32 6.476 6.680 -2.700 1.00 0.00 O ATOM 465 CG2 THR A 32 8.607 6.145 -1.699 1.00 0.00 C ATOM 0 H THR A 32 7.716 4.183 0.046 1.00 0.00 H new ATOM 0 HA THR A 32 5.682 4.304 -1.705 1.00 0.00 H new ATOM 0 HB THR A 32 6.729 6.270 -0.689 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.611 7.019 -2.387 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.825 7.208 -1.593 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.078 5.595 -0.884 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.998 5.788 -2.652 1.00 0.00 H new ATOM 473 N SER A 33 8.405 3.396 -3.251 1.00 0.00 N ATOM 474 CA SER A 33 8.946 2.901 -4.512 1.00 0.00 C ATOM 475 C SER A 33 8.519 1.457 -4.756 1.00 0.00 C ATOM 476 O SER A 33 8.378 0.671 -3.818 1.00 0.00 O ATOM 477 CB SER A 33 10.472 3.001 -4.510 1.00 0.00 C ATOM 478 OG SER A 33 10.896 4.334 -4.731 1.00 0.00 O ATOM 0 H SER A 33 9.024 3.273 -2.450 1.00 0.00 H new ATOM 0 HA SER A 33 8.550 3.519 -5.317 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.862 2.646 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.883 2.352 -5.284 1.00 0.00 H new ATOM 0 HG SER A 33 11.875 4.371 -4.723 1.00 0.00 H new ATOM 484 N LEU A 34 8.315 1.113 -6.023 1.00 0.00 N ATOM 485 CA LEU A 34 7.904 -0.237 -6.393 1.00 0.00 C ATOM 486 C LEU A 34 9.115 -1.101 -6.731 1.00 0.00 C ATOM 487 O LEU A 34 9.509 -1.967 -5.951 1.00 0.00 O ATOM 488 CB LEU A 34 6.948 -0.191 -7.586 1.00 0.00 C ATOM 489 CG LEU A 34 5.482 0.098 -7.260 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.806 0.806 -8.424 1.00 0.00 C ATOM 491 CD2 LEU A 34 4.748 -1.190 -6.917 1.00 0.00 C ATOM 0 H LEU A 34 8.427 1.750 -6.811 1.00 0.00 H new ATOM 0 HA LEU A 34 7.390 -0.681 -5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.302 0.571 -8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.002 -1.147 -8.107 1.00 0.00 H new ATOM 0 HG LEU A 34 5.445 0.755 -6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.764 1.003 -8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.316 1.748 -8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.853 0.174 -9.311 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.706 -0.965 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.794 -1.872 -7.766 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.217 -1.657 -6.051 1.00 0.00 H new ATOM 503 N GLY A 35 9.703 -0.857 -7.898 1.00 0.00 N ATOM 504 CA GLY A 35 10.864 -1.620 -8.318 1.00 0.00 C ATOM 505 C GLY A 35 10.810 -3.062 -7.854 1.00 0.00 C ATOM 506 O GLY A 35 9.805 -3.746 -8.049 1.00 0.00 O ATOM 0 H GLY A 35 9.396 -0.144 -8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.938 -1.594 -9.405 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.765 -1.149 -7.926 1.00 0.00 H new ATOM 510 N SER A 36 11.893 -3.526 -7.239 1.00 0.00 N ATOM 511 CA SER A 36 11.966 -4.898 -6.751 1.00 0.00 C ATOM 512 C SER A 36 12.287 -4.927 -5.259 1.00 0.00 C ATOM 513 O SER A 36 11.737 -5.735 -4.510 1.00 0.00 O ATOM 514 CB SER A 36 13.026 -5.682 -7.527 1.00 0.00 C ATOM 515 OG SER A 36 12.772 -5.640 -8.921 1.00 0.00 O ATOM 0 H SER A 36 12.732 -2.972 -7.067 1.00 0.00 H new ATOM 0 HA SER A 36 10.993 -5.365 -6.906 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.013 -5.267 -7.321 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.038 -6.718 -7.187 1.00 0.00 H new ATOM 0 HG SER A 36 13.464 -6.147 -9.395 1.00 0.00 H new ATOM 521 N VAL A 37 13.181 -4.040 -4.835 1.00 0.00 N ATOM 522 CA VAL A 37 13.575 -3.963 -3.433 1.00 0.00 C ATOM 523 C VAL A 37 12.359 -3.800 -2.529 1.00 0.00 C ATOM 524 O VAL A 37 12.293 -4.389 -1.449 1.00 0.00 O ATOM 525 CB VAL A 37 14.545 -2.792 -3.187 1.00 0.00 C ATOM 526 CG1 VAL A 37 13.900 -1.472 -3.581 1.00 0.00 C ATOM 527 CG2 VAL A 37 14.988 -2.764 -1.732 1.00 0.00 C ATOM 0 H VAL A 37 13.646 -3.365 -5.442 1.00 0.00 H new ATOM 0 HA VAL A 37 14.079 -4.899 -3.193 1.00 0.00 H new ATOM 0 HB VAL A 37 15.428 -2.938 -3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.600 -0.657 -3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.637 -1.497 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.000 -1.315 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.673 -1.930 -1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.117 -2.643 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.492 -3.699 -1.487 1.00 0.00 H new ATOM 537 N CYS A 38 11.399 -2.998 -2.976 1.00 0.00 N ATOM 538 CA CYS A 38 10.184 -2.757 -2.206 1.00 0.00 C ATOM 539 C CYS A 38 9.130 -3.818 -2.508 1.00 0.00 C ATOM 540 O CYS A 38 8.372 -4.222 -1.627 1.00 0.00 O ATOM 541 CB CYS A 38 9.628 -1.366 -2.513 1.00 0.00 C ATOM 542 SG CYS A 38 10.775 -0.016 -2.152 1.00 0.00 S ATOM 0 H CYS A 38 11.438 -2.504 -3.867 1.00 0.00 H new ATOM 0 HA CYS A 38 10.437 -2.813 -1.147 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.351 -1.321 -3.566 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.715 -1.216 -1.937 1.00 0.00 H new ATOM 0 HG CYS A 38 10.121 0.985 -1.642 1.00 0.00 H new ATOM 548 N ARG A 39 9.087 -4.263 -3.760 1.00 0.00 N ATOM 549 CA ARG A 39 8.125 -5.274 -4.179 1.00 0.00 C ATOM 550 C ARG A 39 7.941 -6.332 -3.095 1.00 0.00 C ATOM 551 O ARG A 39 6.816 -6.679 -2.738 1.00 0.00 O ATOM 552 CB ARG A 39 8.581 -5.935 -5.480 1.00 0.00 C ATOM 553 CG ARG A 39 7.686 -7.078 -5.930 1.00 0.00 C ATOM 554 CD ARG A 39 8.289 -7.829 -7.107 1.00 0.00 C ATOM 555 NE ARG A 39 7.476 -8.977 -7.498 1.00 0.00 N ATOM 556 CZ ARG A 39 7.693 -9.690 -8.598 1.00 0.00 C ATOM 557 NH1 ARG A 39 8.692 -9.375 -9.410 1.00 0.00 N ATOM 558 NH2 ARG A 39 6.909 -10.722 -8.886 1.00 0.00 N ATOM 0 H ARG A 39 9.708 -3.939 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 39 7.168 -4.781 -4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.617 -5.182 -6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.596 -6.309 -5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.529 -7.767 -5.100 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.708 -6.687 -6.209 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.392 -7.152 -7.955 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.292 -8.167 -6.846 1.00 0.00 H new ATOM 0 HE ARG A 39 6.699 -9.246 -6.894 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.297 -8.583 -9.191 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.856 -9.924 -10.254 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.140 -10.968 -8.263 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.076 -11.269 -9.731 1.00 0.00 H new ATOM 572 N GLU A 40 9.055 -6.840 -2.577 1.00 0.00 N ATOM 573 CA GLU A 40 9.016 -7.860 -1.535 1.00 0.00 C ATOM 574 C GLU A 40 8.256 -7.358 -0.310 1.00 0.00 C ATOM 575 O GLU A 40 7.363 -8.033 0.201 1.00 0.00 O ATOM 576 CB GLU A 40 10.435 -8.268 -1.136 1.00 0.00 C ATOM 577 CG GLU A 40 11.304 -7.101 -0.699 1.00 0.00 C ATOM 578 CD GLU A 40 12.743 -7.508 -0.444 1.00 0.00 C ATOM 579 OE1 GLU A 40 12.970 -8.353 0.446 1.00 0.00 O ATOM 580 OE2 GLU A 40 13.640 -6.981 -1.134 1.00 0.00 O ATOM 0 H GLU A 40 9.994 -6.562 -2.861 1.00 0.00 H new ATOM 0 HA GLU A 40 8.494 -8.730 -1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.381 -8.993 -0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.911 -8.768 -1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.280 -6.327 -1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.888 -6.663 0.208 1.00 0.00 H new ATOM 587 N LYS A 41 8.619 -6.167 0.156 1.00 0.00 N ATOM 588 CA LYS A 41 7.973 -5.572 1.320 1.00 0.00 C ATOM 589 C LYS A 41 6.456 -5.570 1.159 1.00 0.00 C ATOM 590 O LYS A 41 5.726 -5.972 2.065 1.00 0.00 O ATOM 591 CB LYS A 41 8.476 -4.143 1.532 1.00 0.00 C ATOM 592 CG LYS A 41 9.948 -4.064 1.901 1.00 0.00 C ATOM 593 CD LYS A 41 10.192 -4.538 3.323 1.00 0.00 C ATOM 594 CE LYS A 41 11.545 -4.072 3.841 1.00 0.00 C ATOM 595 NZ LYS A 41 11.690 -4.309 5.304 1.00 0.00 N ATOM 0 H LYS A 41 9.357 -5.595 -0.255 1.00 0.00 H new ATOM 0 HA LYS A 41 8.227 -6.174 2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.307 -3.569 0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.887 -3.673 2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.531 -4.672 1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.296 -3.037 1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.403 -4.162 3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.143 -5.626 3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.338 -4.596 3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.668 -3.009 3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.625 -3.978 5.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.949 -3.789 5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.598 -5.326 5.502 1.00 0.00 H new ATOM 609 N ILE A 42 5.990 -5.116 0.000 1.00 0.00 N ATOM 610 CA ILE A 42 4.560 -5.065 -0.279 1.00 0.00 C ATOM 611 C ILE A 42 3.904 -6.421 -0.043 1.00 0.00 C ATOM 612 O ILE A 42 2.772 -6.500 0.431 1.00 0.00 O ATOM 613 CB ILE A 42 4.285 -4.620 -1.728 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.905 -3.246 -1.989 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.788 -4.592 -1.998 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.329 -3.038 -3.426 1.00 0.00 C ATOM 0 H ILE A 42 6.581 -4.779 -0.760 1.00 0.00 H new ATOM 0 HA ILE A 42 4.131 -4.333 0.406 1.00 0.00 H new ATOM 0 HB ILE A 42 4.743 -5.339 -2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.186 -2.474 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.772 -3.118 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.609 -4.276 -3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.372 -5.588 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.308 -3.892 -1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.760 -2.043 -3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.072 -3.788 -3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.461 -3.133 -4.079 1.00 0.00 H new ATOM 628 N GLU A 43 4.626 -7.487 -0.375 1.00 0.00 N ATOM 629 CA GLU A 43 4.114 -8.841 -0.197 1.00 0.00 C ATOM 630 C GLU A 43 3.716 -9.086 1.255 1.00 0.00 C ATOM 631 O GLU A 43 2.874 -9.936 1.544 1.00 0.00 O ATOM 632 CB GLU A 43 5.163 -9.868 -0.631 1.00 0.00 C ATOM 633 CG GLU A 43 5.638 -9.685 -2.062 1.00 0.00 C ATOM 634 CD GLU A 43 6.058 -10.991 -2.708 1.00 0.00 C ATOM 635 OE1 GLU A 43 5.409 -12.023 -2.438 1.00 0.00 O ATOM 636 OE2 GLU A 43 7.037 -10.981 -3.484 1.00 0.00 O ATOM 0 H GLU A 43 5.566 -7.439 -0.768 1.00 0.00 H new ATOM 0 HA GLU A 43 3.228 -8.952 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.021 -9.804 0.039 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.746 -10.869 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.840 -9.233 -2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.478 -8.990 -2.076 1.00 0.00 H new ATOM 643 N ALA A 44 4.330 -8.336 2.165 1.00 0.00 N ATOM 644 CA ALA A 44 4.039 -8.470 3.587 1.00 0.00 C ATOM 645 C ALA A 44 2.830 -7.629 3.982 1.00 0.00 C ATOM 646 O ALA A 44 1.800 -8.161 4.397 1.00 0.00 O ATOM 647 CB ALA A 44 5.253 -8.074 4.414 1.00 0.00 C ATOM 0 H ALA A 44 5.032 -7.630 1.943 1.00 0.00 H new ATOM 0 HA ALA A 44 3.802 -9.515 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.021 -8.179 5.474 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.093 -8.721 4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.516 -7.038 4.201 1.00 0.00 H new ATOM 653 N VAL A 45 2.963 -6.313 3.852 1.00 0.00 N ATOM 654 CA VAL A 45 1.881 -5.398 4.195 1.00 0.00 C ATOM 655 C VAL A 45 0.553 -5.876 3.618 1.00 0.00 C ATOM 656 O VAL A 45 -0.512 -5.581 4.159 1.00 0.00 O ATOM 657 CB VAL A 45 2.167 -3.973 3.684 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.145 -3.937 2.164 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.164 -2.988 4.264 1.00 0.00 C ATOM 0 H VAL A 45 3.809 -5.857 3.512 1.00 0.00 H new ATOM 0 HA VAL A 45 1.816 -5.379 5.283 1.00 0.00 H new ATOM 0 HB VAL A 45 3.163 -3.679 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.349 -2.923 1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.906 -4.612 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.164 -4.250 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.381 -1.987 3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.156 -3.276 3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.235 -2.995 5.352 1.00 0.00 H new ATOM 669 N ALA A 46 0.625 -6.615 2.516 1.00 0.00 N ATOM 670 CA ALA A 46 -0.571 -7.137 1.867 1.00 0.00 C ATOM 671 C ALA A 46 -1.148 -8.315 2.643 1.00 0.00 C ATOM 672 O ALA A 46 -2.359 -8.404 2.850 1.00 0.00 O ATOM 673 CB ALA A 46 -0.258 -7.548 0.436 1.00 0.00 C ATOM 0 H ALA A 46 1.499 -6.866 2.054 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.320 -6.345 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.160 -7.936 -0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.100 -6.682 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.511 -8.321 0.439 1.00 0.00 H new ATOM 679 N THR A 47 -0.274 -9.221 3.072 1.00 0.00 N ATOM 680 CA THR A 47 -0.697 -10.395 3.824 1.00 0.00 C ATOM 681 C THR A 47 -1.080 -10.025 5.252 1.00 0.00 C ATOM 682 O THR A 47 -1.830 -10.745 5.909 1.00 0.00 O ATOM 683 CB THR A 47 0.409 -11.466 3.862 1.00 0.00 C ATOM 684 OG1 THR A 47 -0.140 -12.723 4.273 1.00 0.00 O ATOM 685 CG2 THR A 47 1.525 -11.059 4.813 1.00 0.00 C ATOM 0 H THR A 47 0.732 -9.163 2.911 1.00 0.00 H new ATOM 0 HA THR A 47 -1.569 -10.802 3.311 1.00 0.00 H new ATOM 0 HB THR A 47 0.825 -11.562 2.859 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.569 -13.399 4.293 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.294 -11.831 4.823 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.961 -10.117 4.481 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.120 -10.937 5.818 1.00 0.00 H new ATOM 693 N GLU A 48 -0.559 -8.897 5.726 1.00 0.00 N ATOM 694 CA GLU A 48 -0.847 -8.432 7.078 1.00 0.00 C ATOM 695 C GLU A 48 -2.232 -7.794 7.150 1.00 0.00 C ATOM 696 O GLU A 48 -2.961 -7.975 8.126 1.00 0.00 O ATOM 697 CB GLU A 48 0.214 -7.428 7.533 1.00 0.00 C ATOM 698 CG GLU A 48 -0.198 -6.618 8.751 1.00 0.00 C ATOM 699 CD GLU A 48 -0.615 -7.491 9.918 1.00 0.00 C ATOM 700 OE1 GLU A 48 -0.001 -8.562 10.106 1.00 0.00 O ATOM 701 OE2 GLU A 48 -1.554 -7.103 10.644 1.00 0.00 O ATOM 0 H GLU A 48 0.064 -8.289 5.194 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.828 -9.295 7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.136 -7.964 7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.434 -6.747 6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.632 -5.981 9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.023 -5.959 8.482 1.00 0.00 H new ATOM 708 N LEU A 49 -2.586 -7.046 6.111 1.00 0.00 N ATOM 709 CA LEU A 49 -3.883 -6.380 6.056 1.00 0.00 C ATOM 710 C LEU A 49 -4.936 -7.288 5.429 1.00 0.00 C ATOM 711 O LEU A 49 -6.103 -6.917 5.318 1.00 0.00 O ATOM 712 CB LEU A 49 -3.776 -5.079 5.259 1.00 0.00 C ATOM 713 CG LEU A 49 -3.058 -3.922 5.955 1.00 0.00 C ATOM 714 CD1 LEU A 49 -2.911 -2.739 5.011 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.805 -3.512 7.216 1.00 0.00 C ATOM 0 H LEU A 49 -1.994 -6.885 5.296 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.189 -6.150 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.258 -5.291 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.783 -4.752 4.999 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.061 -4.258 6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.398 -1.926 5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.332 -3.040 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.898 -2.402 4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.280 -2.688 7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.815 -3.195 6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.856 -4.359 7.900 1.00 0.00 H new ATOM 727 N ASN A 50 -4.514 -8.481 5.023 1.00 0.00 N ATOM 728 CA ASN A 50 -5.422 -9.444 4.409 1.00 0.00 C ATOM 729 C ASN A 50 -5.983 -8.903 3.098 1.00 0.00 C ATOM 730 O ASN A 50 -7.166 -9.073 2.799 1.00 0.00 O ATOM 731 CB ASN A 50 -6.566 -9.781 5.367 1.00 0.00 C ATOM 732 CG ASN A 50 -6.083 -10.481 6.622 1.00 0.00 C ATOM 733 OD1 ASN A 50 -5.128 -11.258 6.584 1.00 0.00 O ATOM 734 ND2 ASN A 50 -6.742 -10.210 7.742 1.00 0.00 N ATOM 0 H ASN A 50 -3.550 -8.804 5.108 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.858 -10.352 4.195 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.087 -8.864 5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.289 -10.416 4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.463 -10.652 8.618 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.528 -9.560 7.727 1.00 0.00 H new ATOM 741 N VAL A 51 -5.127 -8.250 2.318 1.00 0.00 N ATOM 742 CA VAL A 51 -5.537 -7.684 1.038 1.00 0.00 C ATOM 743 C VAL A 51 -4.539 -8.032 -0.060 1.00 0.00 C ATOM 744 O VAL A 51 -3.331 -8.072 0.174 1.00 0.00 O ATOM 745 CB VAL A 51 -5.680 -6.153 1.121 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.794 -5.772 2.084 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.363 -5.517 1.539 1.00 0.00 C ATOM 0 H VAL A 51 -4.145 -8.100 2.550 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.507 -8.119 0.795 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.942 -5.776 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.880 -4.686 2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.736 -6.197 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.565 -6.160 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.482 -4.435 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.069 -5.898 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.593 -5.761 0.808 1.00 0.00 H new ATOM 757 N ASP A 52 -5.051 -8.282 -1.260 1.00 0.00 N ATOM 758 CA ASP A 52 -4.205 -8.624 -2.397 1.00 0.00 C ATOM 759 C ASP A 52 -3.109 -7.582 -2.592 1.00 0.00 C ATOM 760 O ASP A 52 -3.360 -6.379 -2.505 1.00 0.00 O ATOM 761 CB ASP A 52 -5.046 -8.743 -3.669 1.00 0.00 C ATOM 762 CG ASP A 52 -4.254 -9.297 -4.837 1.00 0.00 C ATOM 763 OD1 ASP A 52 -3.446 -10.224 -4.619 1.00 0.00 O ATOM 764 OD2 ASP A 52 -4.442 -8.803 -5.969 1.00 0.00 O ATOM 0 H ASP A 52 -6.049 -8.254 -1.470 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.734 -9.585 -2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.903 -9.389 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.440 -7.762 -3.934 1.00 0.00 H new ATOM 769 N CYS A 53 -1.894 -8.050 -2.856 1.00 0.00 N ATOM 770 CA CYS A 53 -0.758 -7.158 -3.062 1.00 0.00 C ATOM 771 C CYS A 53 -1.153 -5.966 -3.928 1.00 0.00 C ATOM 772 O CYS A 53 -0.821 -4.823 -3.615 1.00 0.00 O ATOM 773 CB CYS A 53 0.400 -7.915 -3.712 1.00 0.00 C ATOM 774 SG CYS A 53 0.965 -9.351 -2.770 1.00 0.00 S ATOM 0 H CYS A 53 -1.670 -9.042 -2.932 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.438 -6.786 -2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 53 0.093 -8.243 -4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.237 -7.230 -3.847 1.00 0.00 H new ATOM 0 HG CYS A 53 1.945 -9.926 -3.402 1.00 0.00 H new ATOM 780 N GLU A 54 -1.862 -6.243 -5.018 1.00 0.00 N ATOM 781 CA GLU A 54 -2.300 -5.193 -5.930 1.00 0.00 C ATOM 782 C GLU A 54 -2.926 -4.031 -5.163 1.00 0.00 C ATOM 783 O GLU A 54 -2.692 -2.865 -5.482 1.00 0.00 O ATOM 784 CB GLU A 54 -3.303 -5.750 -6.941 1.00 0.00 C ATOM 785 CG GLU A 54 -3.537 -4.838 -8.134 1.00 0.00 C ATOM 786 CD GLU A 54 -4.478 -5.444 -9.157 1.00 0.00 C ATOM 787 OE1 GLU A 54 -4.142 -6.509 -9.715 1.00 0.00 O ATOM 788 OE2 GLU A 54 -5.551 -4.852 -9.398 1.00 0.00 O ATOM 0 H GLU A 54 -2.145 -7.184 -5.291 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.424 -4.823 -6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.947 -6.717 -7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.254 -5.926 -6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.946 -3.890 -7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.582 -4.617 -8.611 1.00 0.00 H new ATOM 795 N ILE A 55 -3.723 -4.359 -4.152 1.00 0.00 N ATOM 796 CA ILE A 55 -4.382 -3.345 -3.339 1.00 0.00 C ATOM 797 C ILE A 55 -3.379 -2.323 -2.815 1.00 0.00 C ATOM 798 O ILE A 55 -3.656 -1.123 -2.787 1.00 0.00 O ATOM 799 CB ILE A 55 -5.127 -3.974 -2.147 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.120 -5.030 -2.638 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.842 -2.900 -1.342 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.222 -4.465 -3.506 1.00 0.00 C ATOM 0 H ILE A 55 -3.928 -5.319 -3.876 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.104 -2.845 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.399 -4.461 -1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.580 -5.791 -3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.566 -5.527 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.364 -3.361 -0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.113 -2.182 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.562 -2.387 -1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.888 -5.269 -3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.787 -3.724 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.786 -3.993 -4.387 1.00 0.00 H new ATOM 814 N VAL A 56 -2.211 -2.805 -2.403 1.00 0.00 N ATOM 815 CA VAL A 56 -1.165 -1.934 -1.883 1.00 0.00 C ATOM 816 C VAL A 56 -0.316 -1.359 -3.012 1.00 0.00 C ATOM 817 O VAL A 56 -0.295 -0.148 -3.231 1.00 0.00 O ATOM 818 CB VAL A 56 -0.248 -2.683 -0.897 1.00 0.00 C ATOM 819 CG1 VAL A 56 0.932 -1.811 -0.496 1.00 0.00 C ATOM 820 CG2 VAL A 56 -1.034 -3.128 0.327 1.00 0.00 C ATOM 0 H VAL A 56 -1.966 -3.795 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.664 -1.120 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 56 0.141 -3.572 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.568 -2.357 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.508 -1.548 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.567 -0.902 -0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.371 -3.655 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.454 -2.255 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.841 -3.793 0.019 1.00 0.00 H new ATOM 830 N ARG A 57 0.381 -2.237 -3.725 1.00 0.00 N ATOM 831 CA ARG A 57 1.233 -1.817 -4.832 1.00 0.00 C ATOM 832 C ARG A 57 0.593 -0.666 -5.604 1.00 0.00 C ATOM 833 O ARG A 57 1.277 0.260 -6.039 1.00 0.00 O ATOM 834 CB ARG A 57 1.497 -2.992 -5.775 1.00 0.00 C ATOM 835 CG ARG A 57 2.731 -3.801 -5.410 1.00 0.00 C ATOM 836 CD ARG A 57 3.015 -4.881 -6.441 1.00 0.00 C ATOM 837 NE ARG A 57 3.280 -4.320 -7.763 1.00 0.00 N ATOM 838 CZ ARG A 57 3.127 -5.000 -8.894 1.00 0.00 C ATOM 839 NH1 ARG A 57 2.711 -6.258 -8.864 1.00 0.00 N ATOM 840 NH2 ARG A 57 3.389 -4.420 -10.058 1.00 0.00 N ATOM 0 H ARG A 57 0.373 -3.243 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 57 2.180 -1.472 -4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.628 -3.650 -5.774 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.609 -2.613 -6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.592 -3.137 -5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.590 -4.259 -4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.872 -5.472 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.164 -5.559 -6.499 1.00 0.00 H new ATOM 0 HE ARG A 57 3.600 -3.353 -7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.507 -6.707 -7.971 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.594 -6.778 -9.734 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.708 -3.452 -10.085 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.271 -4.943 -10.926 1.00 0.00 H new ATOM 854 N THR A 58 -0.724 -0.732 -5.770 1.00 0.00 N ATOM 855 CA THR A 58 -1.456 0.303 -6.490 1.00 0.00 C ATOM 856 C THR A 58 -1.569 1.576 -5.659 1.00 0.00 C ATOM 857 O THR A 58 -1.393 2.681 -6.172 1.00 0.00 O ATOM 858 CB THR A 58 -2.870 -0.173 -6.874 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.791 -1.395 -7.617 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.591 0.882 -7.698 1.00 0.00 C ATOM 0 H THR A 58 -1.306 -1.491 -5.416 1.00 0.00 H new ATOM 0 HA THR A 58 -0.892 0.515 -7.399 1.00 0.00 H new ATOM 0 HB THR A 58 -3.434 -0.342 -5.957 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.532 -2.126 -7.018 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.587 0.523 -7.957 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.676 1.801 -7.118 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.028 1.079 -8.610 1.00 0.00 H new ATOM 868 N TRP A 59 -1.864 1.413 -4.374 1.00 0.00 N ATOM 869 CA TRP A 59 -2.000 2.551 -3.472 1.00 0.00 C ATOM 870 C TRP A 59 -0.704 3.352 -3.407 1.00 0.00 C ATOM 871 O TRP A 59 -0.726 4.583 -3.355 1.00 0.00 O ATOM 872 CB TRP A 59 -2.389 2.074 -2.071 1.00 0.00 C ATOM 873 CG TRP A 59 -2.183 3.114 -1.011 1.00 0.00 C ATOM 874 CD1 TRP A 59 -3.096 4.030 -0.574 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.988 3.344 -0.257 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.541 4.816 0.407 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.248 4.415 0.620 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.276 2.748 -0.236 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.291 4.901 1.506 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.226 3.232 0.643 1.00 0.00 C ATOM 881 CH2 TRP A 59 0.938 4.299 1.505 1.00 0.00 C ATOM 0 H TRP A 59 -2.013 0.505 -3.934 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.787 3.198 -3.860 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.436 1.772 -2.075 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.804 1.189 -1.821 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.106 4.123 -0.945 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.015 5.575 0.897 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.506 1.924 -0.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.510 5.724 2.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.207 2.781 0.666 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.701 4.653 2.182 1.00 0.00 H new ATOM 892 N ILE A 60 0.423 2.649 -3.412 1.00 0.00 N ATOM 893 CA ILE A 60 1.728 3.296 -3.356 1.00 0.00 C ATOM 894 C ILE A 60 1.874 4.335 -4.462 1.00 0.00 C ATOM 895 O ILE A 60 1.996 5.529 -4.194 1.00 0.00 O ATOM 896 CB ILE A 60 2.871 2.270 -3.475 1.00 0.00 C ATOM 897 CG1 ILE A 60 2.794 1.253 -2.335 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.218 2.976 -3.473 1.00 0.00 C ATOM 899 CD1 ILE A 60 3.803 0.133 -2.455 1.00 0.00 C ATOM 0 H ILE A 60 0.459 1.631 -3.454 1.00 0.00 H new ATOM 0 HA ILE A 60 1.794 3.790 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 60 2.764 1.736 -4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.948 1.769 -1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.791 0.826 -2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.016 2.238 -3.558 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.269 3.664 -4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.336 3.532 -2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.690 -0.550 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.636 -0.409 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.810 0.549 -2.453 1.00 0.00 H new ATOM 911 N GLY A 61 1.860 3.871 -5.708 1.00 0.00 N ATOM 912 CA GLY A 61 1.991 4.773 -6.837 1.00 0.00 C ATOM 913 C GLY A 61 1.018 5.934 -6.767 1.00 0.00 C ATOM 914 O GLY A 61 1.390 7.079 -7.017 1.00 0.00 O ATOM 0 H GLY A 61 1.760 2.887 -5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.010 5.158 -6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.826 4.220 -7.761 1.00 0.00 H new ATOM 918 N ASN A 62 -0.232 5.637 -6.428 1.00 0.00 N ATOM 919 CA ASN A 62 -1.262 6.664 -6.328 1.00 0.00 C ATOM 920 C ASN A 62 -0.802 7.810 -5.432 1.00 0.00 C ATOM 921 O ASN A 62 -0.992 8.982 -5.758 1.00 0.00 O ATOM 922 CB ASN A 62 -2.559 6.064 -5.782 1.00 0.00 C ATOM 923 CG ASN A 62 -3.132 4.998 -6.696 1.00 0.00 C ATOM 924 OD1 ASN A 62 -2.736 4.880 -7.855 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.069 4.214 -6.175 1.00 0.00 N ATOM 0 H ASN A 62 -0.556 4.693 -6.218 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.445 7.058 -7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.371 5.633 -4.799 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.295 6.857 -5.647 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.491 3.478 -6.741 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.367 4.348 -5.209 1.00 0.00 H new ATOM 932 N ARG A 63 -0.196 7.463 -4.301 1.00 0.00 N ATOM 933 CA ARG A 63 0.290 8.462 -3.357 1.00 0.00 C ATOM 934 C ARG A 63 1.397 9.306 -3.982 1.00 0.00 C ATOM 935 O ARG A 63 1.399 10.532 -3.862 1.00 0.00 O ATOM 936 CB ARG A 63 0.806 7.785 -2.086 1.00 0.00 C ATOM 937 CG ARG A 63 -0.290 7.443 -1.090 1.00 0.00 C ATOM 938 CD ARG A 63 -0.659 8.644 -0.233 1.00 0.00 C ATOM 939 NE ARG A 63 -1.554 9.561 -0.933 1.00 0.00 N ATOM 940 CZ ARG A 63 -2.839 9.309 -1.153 1.00 0.00 C ATOM 941 NH1 ARG A 63 -3.377 8.174 -0.730 1.00 0.00 N ATOM 942 NH2 ARG A 63 -3.590 10.194 -1.797 1.00 0.00 N ATOM 0 H ARG A 63 -0.030 6.498 -4.016 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.542 9.117 -3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.334 6.872 -2.360 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.531 8.441 -1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.172 7.092 -1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.041 6.626 -0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.137 8.301 0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.248 9.174 0.058 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.171 10.444 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.804 7.492 -0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.364 7.983 -0.900 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.180 11.069 -2.124 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.577 9.999 -1.965 1.00 0.00 H new ATOM 956 N ARG A 64 2.337 8.642 -4.647 1.00 0.00 N ATOM 957 CA ARG A 64 3.450 9.331 -5.289 1.00 0.00 C ATOM 958 C ARG A 64 2.958 10.541 -6.079 1.00 0.00 C ATOM 959 O ARG A 64 3.527 11.629 -5.986 1.00 0.00 O ATOM 960 CB ARG A 64 4.203 8.375 -6.215 1.00 0.00 C ATOM 961 CG ARG A 64 5.020 7.328 -5.476 1.00 0.00 C ATOM 962 CD ARG A 64 5.590 6.290 -6.431 1.00 0.00 C ATOM 963 NE ARG A 64 6.879 6.702 -6.980 1.00 0.00 N ATOM 964 CZ ARG A 64 7.411 6.177 -8.078 1.00 0.00 C ATOM 965 NH1 ARG A 64 6.768 5.224 -8.740 1.00 0.00 N ATOM 966 NH2 ARG A 64 8.588 6.604 -8.516 1.00 0.00 N ATOM 0 H ARG A 64 2.350 7.628 -4.755 1.00 0.00 H new ATOM 0 HA ARG A 64 4.127 9.679 -4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.486 7.872 -6.865 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.866 8.953 -6.859 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.833 7.814 -4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.394 6.835 -4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.705 5.341 -5.908 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.886 6.122 -7.246 1.00 0.00 H new ATOM 0 HE ARG A 64 7.399 7.433 -6.494 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.863 4.893 -8.406 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.179 4.823 -9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.086 7.336 -8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.995 6.200 -9.359 1.00 0.00 H new