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 -150:sc=-0.00275 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= 0 X(o=0,f=0) USER MOD Single : A 31 MET CE :methyl -109:sc= -1.02 (180deg=-5.74!) USER MOD Single : A 32 THR OG1 : rot -63:sc= 0.777 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 -39:sc= -2.28 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=-0.00656 X(o=-0.0066,f=0) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.18 USER MOD Single : A 58 THR OG1 : rot 77:sc= 0.81 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 179 N PHE A 15 -8.679 3.101 2.592 1.00 0.00 N ATOM 180 CA PHE A 15 -7.988 2.725 3.820 1.00 0.00 C ATOM 181 C PHE A 15 -8.114 3.824 4.872 1.00 0.00 C ATOM 182 O PHE A 15 -7.647 4.945 4.673 1.00 0.00 O ATOM 183 CB PHE A 15 -6.512 2.444 3.533 1.00 0.00 C ATOM 184 CG PHE A 15 -6.293 1.318 2.564 1.00 0.00 C ATOM 185 CD1 PHE A 15 -6.749 0.041 2.851 1.00 0.00 C ATOM 186 CD2 PHE A 15 -5.633 1.536 1.366 1.00 0.00 C ATOM 187 CE1 PHE A 15 -6.548 -0.997 1.961 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.430 0.501 0.472 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.889 -0.767 0.770 1.00 0.00 C ATOM 0 HA PHE A 15 -8.454 1.819 4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.049 3.348 3.138 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.006 2.210 4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.267 -0.145 3.780 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.273 2.526 1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.906 -1.988 2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.913 0.684 -0.458 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.733 -1.577 0.073 1.00 0.00 H new ATOM 199 N SER A 16 -8.748 3.492 5.992 1.00 0.00 N ATOM 200 CA SER A 16 -8.939 4.450 7.074 1.00 0.00 C ATOM 201 C SER A 16 -7.623 4.726 7.794 1.00 0.00 C ATOM 202 O SER A 16 -6.605 4.092 7.516 1.00 0.00 O ATOM 203 CB SER A 16 -9.978 3.928 8.068 1.00 0.00 C ATOM 204 OG SER A 16 -11.286 4.331 7.698 1.00 0.00 O ATOM 0 H SER A 16 -9.138 2.567 6.174 1.00 0.00 H new ATOM 0 HA SER A 16 -9.298 5.383 6.641 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.928 2.840 8.113 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.749 4.299 9.067 1.00 0.00 H new ATOM 0 HG SER A 16 -11.932 3.983 8.348 1.00 0.00 H new ATOM 210 N ASP A 17 -7.652 5.677 8.722 1.00 0.00 N ATOM 211 CA ASP A 17 -6.462 6.038 9.484 1.00 0.00 C ATOM 212 C ASP A 17 -5.766 4.793 10.026 1.00 0.00 C ATOM 213 O ASP A 17 -4.540 4.686 9.981 1.00 0.00 O ATOM 214 CB ASP A 17 -6.832 6.972 10.637 1.00 0.00 C ATOM 215 CG ASP A 17 -7.713 8.122 10.190 1.00 0.00 C ATOM 216 OD1 ASP A 17 -8.926 7.899 9.991 1.00 0.00 O ATOM 217 OD2 ASP A 17 -7.190 9.246 10.038 1.00 0.00 O ATOM 0 H ASP A 17 -8.486 6.211 8.964 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.775 6.555 8.814 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.347 6.403 11.411 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.921 7.369 11.086 1.00 0.00 H new ATOM 222 N ARG A 18 -6.555 3.855 10.537 1.00 0.00 N ATOM 223 CA ARG A 18 -6.015 2.618 11.090 1.00 0.00 C ATOM 224 C ARG A 18 -5.332 1.791 10.004 1.00 0.00 C ATOM 225 O ARG A 18 -4.152 1.459 10.113 1.00 0.00 O ATOM 226 CB ARG A 18 -7.127 1.799 11.747 1.00 0.00 C ATOM 227 CG ARG A 18 -7.791 2.503 12.919 1.00 0.00 C ATOM 228 CD ARG A 18 -9.040 1.768 13.376 1.00 0.00 C ATOM 229 NE ARG A 18 -10.234 2.225 12.670 1.00 0.00 N ATOM 230 CZ ARG A 18 -10.934 3.296 13.027 1.00 0.00 C ATOM 231 NH1 ARG A 18 -10.562 4.015 14.077 1.00 0.00 N ATOM 232 NH2 ARG A 18 -12.009 3.649 12.334 1.00 0.00 N ATOM 0 H ARG A 18 -7.572 3.927 10.580 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.273 2.880 11.845 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.884 1.564 10.999 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.714 0.851 12.091 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.087 2.575 13.748 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.052 3.522 12.632 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.910 0.698 13.214 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.175 1.914 14.448 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.548 1.693 11.858 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.737 3.746 14.613 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.101 4.837 14.349 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.299 3.098 11.526 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.546 4.472 12.609 1.00 0.00 H new ATOM 246 N ASP A 19 -6.083 1.461 8.959 1.00 0.00 N ATOM 247 CA ASP A 19 -5.551 0.672 7.854 1.00 0.00 C ATOM 248 C ASP A 19 -4.276 1.301 7.302 1.00 0.00 C ATOM 249 O ASP A 19 -3.222 0.664 7.265 1.00 0.00 O ATOM 250 CB ASP A 19 -6.594 0.545 6.742 1.00 0.00 C ATOM 251 CG ASP A 19 -7.955 0.133 7.269 1.00 0.00 C ATOM 252 OD1 ASP A 19 -8.720 1.023 7.695 1.00 0.00 O ATOM 253 OD2 ASP A 19 -8.254 -1.080 7.256 1.00 0.00 O ATOM 0 H ASP A 19 -7.062 1.728 8.854 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.311 -0.322 8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.683 1.498 6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.254 -0.188 6.011 1.00 0.00 H new ATOM 258 N LEU A 20 -4.378 2.555 6.875 1.00 0.00 N ATOM 259 CA LEU A 20 -3.232 3.271 6.324 1.00 0.00 C ATOM 260 C LEU A 20 -2.011 3.121 7.225 1.00 0.00 C ATOM 261 O LEU A 20 -0.927 2.765 6.764 1.00 0.00 O ATOM 262 CB LEU A 20 -3.569 4.752 6.145 1.00 0.00 C ATOM 263 CG LEU A 20 -4.476 5.096 4.963 1.00 0.00 C ATOM 264 CD1 LEU A 20 -4.992 6.522 5.083 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.735 4.905 3.648 1.00 0.00 C ATOM 0 H LEU A 20 -5.242 3.097 6.900 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.998 2.838 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.045 5.109 7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.636 5.305 6.035 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.330 4.419 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.636 6.749 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.561 6.627 6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.150 7.214 5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.396 5.155 2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.862 5.557 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.416 3.867 3.558 1.00 0.00 H new ATOM 277 N ALA A 21 -2.196 3.392 8.513 1.00 0.00 N ATOM 278 CA ALA A 21 -1.111 3.283 9.480 1.00 0.00 C ATOM 279 C ALA A 21 -0.165 2.143 9.117 1.00 0.00 C ATOM 280 O ALA A 21 1.056 2.307 9.129 1.00 0.00 O ATOM 281 CB ALA A 21 -1.670 3.081 10.881 1.00 0.00 C ATOM 0 H ALA A 21 -3.087 3.689 8.911 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.543 4.213 9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.848 3.001 11.593 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.300 3.930 11.147 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.263 2.167 10.908 1.00 0.00 H new ATOM 287 N THR A 22 -0.735 0.986 8.796 1.00 0.00 N ATOM 288 CA THR A 22 0.057 -0.182 8.432 1.00 0.00 C ATOM 289 C THR A 22 0.937 0.106 7.221 1.00 0.00 C ATOM 290 O THR A 22 2.154 -0.076 7.267 1.00 0.00 O ATOM 291 CB THR A 22 -0.840 -1.396 8.123 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.683 -1.680 9.245 1.00 0.00 O ATOM 293 CG2 THR A 22 0.001 -2.619 7.791 1.00 0.00 C ATOM 0 H THR A 22 -1.743 0.833 8.781 1.00 0.00 H new ATOM 0 HA THR A 22 0.688 -0.415 9.290 1.00 0.00 H new ATOM 0 HB THR A 22 -1.457 -1.154 7.258 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.878 -2.640 9.273 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.654 -3.464 7.576 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.620 -2.409 6.919 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.640 -2.862 8.640 1.00 0.00 H new ATOM 301 N LEU A 23 0.315 0.559 6.138 1.00 0.00 N ATOM 302 CA LEU A 23 1.042 0.874 4.913 1.00 0.00 C ATOM 303 C LEU A 23 2.095 1.948 5.166 1.00 0.00 C ATOM 304 O LEU A 23 3.242 1.821 4.739 1.00 0.00 O ATOM 305 CB LEU A 23 0.072 1.340 3.826 1.00 0.00 C ATOM 306 CG LEU A 23 -0.624 0.236 3.029 1.00 0.00 C ATOM 307 CD1 LEU A 23 -1.876 0.773 2.355 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.326 -0.358 1.999 1.00 0.00 C ATOM 0 H LEU A 23 -0.691 0.716 6.083 1.00 0.00 H new ATOM 0 HA LEU A 23 1.547 -0.031 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.693 1.961 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.618 1.975 3.128 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.919 -0.554 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.358 -0.027 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.564 1.150 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.605 1.582 1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.186 -1.142 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.652 0.423 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.194 -0.781 2.505 1.00 0.00 H new ATOM 320 N LYS A 24 1.697 3.006 5.865 1.00 0.00 N ATOM 321 CA LYS A 24 2.606 4.102 6.179 1.00 0.00 C ATOM 322 C LYS A 24 3.854 3.588 6.889 1.00 0.00 C ATOM 323 O LYS A 24 4.978 3.894 6.491 1.00 0.00 O ATOM 324 CB LYS A 24 1.901 5.142 7.053 1.00 0.00 C ATOM 325 CG LYS A 24 0.919 6.013 6.290 1.00 0.00 C ATOM 326 CD LYS A 24 0.300 7.073 7.186 1.00 0.00 C ATOM 327 CE LYS A 24 1.294 8.178 7.511 1.00 0.00 C ATOM 328 NZ LYS A 24 0.643 9.323 8.205 1.00 0.00 N ATOM 0 H LYS A 24 0.750 3.127 6.225 1.00 0.00 H new ATOM 0 HA LYS A 24 2.909 4.569 5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.371 4.630 7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.651 5.779 7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.430 6.494 5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.132 5.390 5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.574 7.501 6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.048 6.612 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.090 7.777 8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.761 8.529 6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.353 10.055 8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.099 9.722 7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.220 8.994 9.096 1.00 0.00 H new ATOM 342 N LYS A 25 3.649 2.803 7.941 1.00 0.00 N ATOM 343 CA LYS A 25 4.757 2.243 8.706 1.00 0.00 C ATOM 344 C LYS A 25 5.887 1.800 7.781 1.00 0.00 C ATOM 345 O LYS A 25 7.056 2.094 8.029 1.00 0.00 O ATOM 346 CB LYS A 25 4.277 1.057 9.545 1.00 0.00 C ATOM 347 CG LYS A 25 5.127 0.799 10.777 1.00 0.00 C ATOM 348 CD LYS A 25 4.476 -0.215 11.702 1.00 0.00 C ATOM 349 CE LYS A 25 5.346 -0.500 12.917 1.00 0.00 C ATOM 350 NZ LYS A 25 5.240 0.578 13.940 1.00 0.00 N ATOM 0 H LYS A 25 2.725 2.540 8.284 1.00 0.00 H new ATOM 0 HA LYS A 25 5.137 3.020 9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.247 1.235 9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.272 0.162 8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.109 0.437 10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.284 1.734 11.314 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.505 0.159 12.028 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.294 -1.142 11.158 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.051 -1.451 13.360 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.385 -0.603 12.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.847 0.347 14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.545 1.481 13.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.253 0.659 14.258 1.00 0.00 H new ATOM 364 N TYR A 26 5.530 1.093 6.715 1.00 0.00 N ATOM 365 CA TYR A 26 6.514 0.609 5.754 1.00 0.00 C ATOM 366 C TYR A 26 7.073 1.758 4.921 1.00 0.00 C ATOM 367 O TYR A 26 8.249 1.760 4.557 1.00 0.00 O ATOM 368 CB TYR A 26 5.888 -0.443 4.837 1.00 0.00 C ATOM 369 CG TYR A 26 5.828 -1.824 5.451 1.00 0.00 C ATOM 370 CD1 TYR A 26 6.957 -2.632 5.500 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.644 -2.319 5.981 1.00 0.00 C ATOM 372 CE1 TYR A 26 6.908 -3.895 6.059 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.585 -3.580 6.543 1.00 0.00 C ATOM 374 CZ TYR A 26 5.720 -4.364 6.579 1.00 0.00 C ATOM 375 OH TYR A 26 5.665 -5.620 7.137 1.00 0.00 O ATOM 0 H TYR A 26 4.566 0.842 6.494 1.00 0.00 H new ATOM 0 HA TYR A 26 7.334 0.155 6.310 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.879 -0.128 4.573 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.460 -0.491 3.910 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.889 -2.267 5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.754 -1.708 5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.795 -4.511 6.088 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.656 -3.950 6.952 1.00 0.00 H new ATOM 0 HH TYR A 26 4.756 -5.796 7.457 1.00 0.00 H new ATOM 385 N TRP A 27 6.222 2.734 4.625 1.00 0.00 N ATOM 386 CA TRP A 27 6.630 3.890 3.836 1.00 0.00 C ATOM 387 C TRP A 27 7.842 4.574 4.459 1.00 0.00 C ATOM 388 O TRP A 27 8.626 5.221 3.764 1.00 0.00 O ATOM 389 CB TRP A 27 5.474 4.884 3.714 1.00 0.00 C ATOM 390 CG TRP A 27 5.841 6.134 2.973 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.779 7.057 3.336 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.274 6.598 1.743 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.830 8.067 2.406 1.00 0.00 N ATOM 394 CE2 TRP A 27 5.917 7.809 1.418 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.287 6.108 0.883 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.603 8.534 0.272 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.977 6.829 -0.254 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.633 8.031 -0.552 1.00 0.00 C ATOM 0 H TRP A 27 5.246 2.748 4.920 1.00 0.00 H new ATOM 0 HA TRP A 27 6.905 3.541 2.841 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.640 4.400 3.205 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.127 5.151 4.712 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.391 7.001 4.224 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.448 8.878 2.445 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.776 5.182 1.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.107 9.461 0.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.216 6.460 -0.925 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.368 8.571 -1.449 1.00 0.00 H new ATOM 409 N ASP A 28 7.989 4.428 5.771 1.00 0.00 N ATOM 410 CA ASP A 28 9.107 5.031 6.487 1.00 0.00 C ATOM 411 C ASP A 28 10.435 4.456 6.005 1.00 0.00 C ATOM 412 O ASP A 28 11.492 5.050 6.213 1.00 0.00 O ATOM 413 CB ASP A 28 8.957 4.806 7.993 1.00 0.00 C ATOM 414 CG ASP A 28 10.292 4.780 8.710 1.00 0.00 C ATOM 415 OD1 ASP A 28 10.850 5.867 8.966 1.00 0.00 O ATOM 416 OD2 ASP A 28 10.780 3.671 9.015 1.00 0.00 O ATOM 0 H ASP A 28 7.348 3.897 6.361 1.00 0.00 H new ATOM 0 HA ASP A 28 9.100 6.102 6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.336 5.596 8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.436 3.864 8.167 1.00 0.00 H new ATOM 421 N ASN A 29 10.373 3.296 5.359 1.00 0.00 N ATOM 422 CA ASN A 29 11.571 2.640 4.849 1.00 0.00 C ATOM 423 C ASN A 29 11.696 2.833 3.340 1.00 0.00 C ATOM 424 O ASN A 29 12.310 2.022 2.649 1.00 0.00 O ATOM 425 CB ASN A 29 11.541 1.147 5.182 1.00 0.00 C ATOM 426 CG ASN A 29 12.180 0.840 6.522 1.00 0.00 C ATOM 427 OD1 ASN A 29 11.543 0.962 7.569 1.00 0.00 O ATOM 428 ND2 ASN A 29 13.446 0.441 6.496 1.00 0.00 N ATOM 0 H ASN A 29 9.506 2.791 5.176 1.00 0.00 H new ATOM 0 HA ASN A 29 12.437 3.096 5.329 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.508 0.800 5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.060 0.593 4.400 1.00 0.00 H new ATOM 0 HD21 ASN A 29 13.930 0.221 7.367 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.935 0.354 5.605 1.00 0.00 H new ATOM 435 N GLY A 30 11.109 3.915 2.837 1.00 0.00 N ATOM 436 CA GLY A 30 11.167 4.197 1.415 1.00 0.00 C ATOM 437 C GLY A 30 10.293 3.262 0.603 1.00 0.00 C ATOM 438 O GLY A 30 10.632 2.908 -0.526 1.00 0.00 O ATOM 0 H GLY A 30 10.594 4.601 3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.855 5.226 1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.199 4.114 1.073 1.00 0.00 H new ATOM 442 N MET A 31 9.165 2.859 1.179 1.00 0.00 N ATOM 443 CA MET A 31 8.240 1.959 0.501 1.00 0.00 C ATOM 444 C MET A 31 7.455 2.698 -0.578 1.00 0.00 C ATOM 445 O MET A 31 6.553 2.135 -1.201 1.00 0.00 O ATOM 446 CB MET A 31 7.276 1.330 1.508 1.00 0.00 C ATOM 447 CG MET A 31 6.756 -0.034 1.083 1.00 0.00 C ATOM 448 SD MET A 31 5.104 -0.377 1.718 1.00 0.00 S ATOM 449 CE MET A 31 4.172 0.962 0.978 1.00 0.00 C ATOM 0 H MET A 31 8.870 3.142 2.114 1.00 0.00 H new ATOM 0 HA MET A 31 8.823 1.170 0.026 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.780 1.234 2.470 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.430 2.002 1.657 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.741 -0.090 -0.005 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.443 -0.805 1.432 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.887 1.677 1.750 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.786 1.462 0.229 1.00 0.00 H new ATOM 0 HE3 MET A 31 3.275 0.563 0.504 1.00 0.00 H new ATOM 459 N THR A 32 7.802 3.963 -0.795 1.00 0.00 N ATOM 460 CA THR A 32 7.129 4.779 -1.798 1.00 0.00 C ATOM 461 C THR A 32 7.685 4.508 -3.191 1.00 0.00 C ATOM 462 O THR A 32 7.858 5.428 -3.990 1.00 0.00 O ATOM 463 CB THR A 32 7.268 6.281 -1.485 1.00 0.00 C ATOM 464 OG1 THR A 32 6.708 7.057 -2.550 1.00 0.00 O ATOM 465 CG2 THR A 32 8.728 6.660 -1.288 1.00 0.00 C ATOM 0 H THR A 32 8.545 4.445 -0.289 1.00 0.00 H new ATOM 0 HA THR A 32 6.074 4.506 -1.772 1.00 0.00 H new ATOM 0 HB THR A 32 6.728 6.489 -0.561 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.210 6.890 -3.375 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.801 7.725 -1.068 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.143 6.089 -0.458 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.287 6.438 -2.197 1.00 0.00 H new ATOM 473 N SER A 33 7.962 3.240 -3.476 1.00 0.00 N ATOM 474 CA SER A 33 8.502 2.848 -4.773 1.00 0.00 C ATOM 475 C SER A 33 7.922 1.510 -5.221 1.00 0.00 C ATOM 476 O SER A 33 7.623 0.643 -4.398 1.00 0.00 O ATOM 477 CB SER A 33 10.028 2.760 -4.708 1.00 0.00 C ATOM 478 OG SER A 33 10.595 3.999 -4.322 1.00 0.00 O ATOM 0 H SER A 33 7.822 2.466 -2.826 1.00 0.00 H new ATOM 0 HA SER A 33 8.220 3.608 -5.501 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.321 1.986 -3.998 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.420 2.465 -5.681 1.00 0.00 H new ATOM 0 HG SER A 33 11.571 3.915 -4.287 1.00 0.00 H new ATOM 484 N LEU A 34 7.765 1.349 -6.530 1.00 0.00 N ATOM 485 CA LEU A 34 7.220 0.117 -7.090 1.00 0.00 C ATOM 486 C LEU A 34 8.325 -0.908 -7.325 1.00 0.00 C ATOM 487 O LEU A 34 8.105 -2.112 -7.199 1.00 0.00 O ATOM 488 CB LEU A 34 6.491 0.408 -8.402 1.00 0.00 C ATOM 489 CG LEU A 34 5.025 0.827 -8.277 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.567 1.550 -9.534 1.00 0.00 C ATOM 491 CD2 LEU A 34 4.146 -0.385 -8.006 1.00 0.00 C ATOM 0 H LEU A 34 8.007 2.056 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 34 6.511 -0.297 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.030 1.197 -8.927 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.541 -0.483 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 34 4.933 1.513 -7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.522 1.840 -9.426 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.177 2.441 -9.684 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.673 0.888 -10.394 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.106 -0.069 -7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.242 -1.095 -8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.459 -0.861 -7.076 1.00 0.00 H new ATOM 503 N GLY A 35 9.514 -0.422 -7.666 1.00 0.00 N ATOM 504 CA GLY A 35 10.636 -1.309 -7.912 1.00 0.00 C ATOM 505 C GLY A 35 10.613 -2.533 -7.019 1.00 0.00 C ATOM 506 O GLY A 35 10.230 -2.452 -5.851 1.00 0.00 O ATOM 0 H GLY A 35 9.721 0.571 -7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.624 -1.624 -8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.567 -0.765 -7.754 1.00 0.00 H new ATOM 510 N SER A 36 11.023 -3.673 -7.567 1.00 0.00 N ATOM 511 CA SER A 36 11.043 -4.921 -6.814 1.00 0.00 C ATOM 512 C SER A 36 11.471 -4.677 -5.370 1.00 0.00 C ATOM 513 O SER A 36 10.874 -5.210 -4.434 1.00 0.00 O ATOM 514 CB SER A 36 11.988 -5.925 -7.475 1.00 0.00 C ATOM 515 OG SER A 36 11.726 -7.244 -7.027 1.00 0.00 O ATOM 0 H SER A 36 11.346 -3.757 -8.531 1.00 0.00 H new ATOM 0 HA SER A 36 10.033 -5.331 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.875 -5.876 -8.558 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.021 -5.660 -7.250 1.00 0.00 H new ATOM 0 HG SER A 36 12.342 -7.867 -7.466 1.00 0.00 H new ATOM 521 N VAL A 37 12.509 -3.865 -5.196 1.00 0.00 N ATOM 522 CA VAL A 37 13.018 -3.548 -3.867 1.00 0.00 C ATOM 523 C VAL A 37 11.888 -3.493 -2.845 1.00 0.00 C ATOM 524 O VAL A 37 12.016 -4.009 -1.734 1.00 0.00 O ATOM 525 CB VAL A 37 13.769 -2.203 -3.859 1.00 0.00 C ATOM 526 CG1 VAL A 37 15.011 -2.281 -4.733 1.00 0.00 C ATOM 527 CG2 VAL A 37 12.852 -1.079 -4.319 1.00 0.00 C ATOM 0 H VAL A 37 13.014 -3.415 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 37 13.712 -4.344 -3.595 1.00 0.00 H new ATOM 0 HB VAL A 37 14.085 -1.988 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.529 -1.322 -4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.674 -3.059 -4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.721 -2.518 -5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.398 -0.136 -4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.504 -1.284 -5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.996 -1.010 -3.648 1.00 0.00 H new ATOM 537 N CYS A 38 10.782 -2.864 -3.228 1.00 0.00 N ATOM 538 CA CYS A 38 9.628 -2.740 -2.344 1.00 0.00 C ATOM 539 C CYS A 38 8.746 -3.982 -2.425 1.00 0.00 C ATOM 540 O CYS A 38 8.187 -4.425 -1.422 1.00 0.00 O ATOM 541 CB CYS A 38 8.814 -1.497 -2.705 1.00 0.00 C ATOM 542 SG CYS A 38 9.586 0.061 -2.208 1.00 0.00 S ATOM 0 H CYS A 38 10.660 -2.432 -4.144 1.00 0.00 H new ATOM 0 HA CYS A 38 9.993 -2.641 -1.322 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.652 -1.482 -3.783 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.833 -1.570 -2.236 1.00 0.00 H new ATOM 0 HG CYS A 38 10.146 -0.084 -1.044 1.00 0.00 H new ATOM 548 N ARG A 39 8.624 -4.537 -3.627 1.00 0.00 N ATOM 549 CA ARG A 39 7.807 -5.726 -3.839 1.00 0.00 C ATOM 550 C ARG A 39 7.919 -6.682 -2.655 1.00 0.00 C ATOM 551 O ARG A 39 6.917 -7.211 -2.176 1.00 0.00 O ATOM 552 CB ARG A 39 8.230 -6.438 -5.125 1.00 0.00 C ATOM 553 CG ARG A 39 7.283 -7.550 -5.546 1.00 0.00 C ATOM 554 CD ARG A 39 7.886 -8.409 -6.646 1.00 0.00 C ATOM 555 NE ARG A 39 9.063 -9.141 -6.187 1.00 0.00 N ATOM 556 CZ ARG A 39 9.559 -10.202 -6.813 1.00 0.00 C ATOM 557 NH1 ARG A 39 8.984 -10.652 -7.919 1.00 0.00 N ATOM 558 NH2 ARG A 39 10.633 -10.815 -6.333 1.00 0.00 N ATOM 0 H ARG A 39 9.080 -4.183 -4.468 1.00 0.00 H new ATOM 0 HA ARG A 39 6.768 -5.410 -3.931 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.298 -5.706 -5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.228 -6.855 -4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.047 -8.174 -4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.345 -7.118 -5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.138 -9.115 -7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.159 -7.777 -7.491 1.00 0.00 H new ATOM 0 HE ARG A 39 9.530 -8.820 -5.339 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.158 -10.183 -8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.367 -11.467 -8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.079 -10.472 -5.482 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.013 -11.630 -6.815 1.00 0.00 H new ATOM 572 N GLU A 40 9.146 -6.897 -2.189 1.00 0.00 N ATOM 573 CA GLU A 40 9.388 -7.790 -1.062 1.00 0.00 C ATOM 574 C GLU A 40 8.585 -7.354 0.160 1.00 0.00 C ATOM 575 O GLU A 40 7.850 -8.147 0.750 1.00 0.00 O ATOM 576 CB GLU A 40 10.879 -7.824 -0.721 1.00 0.00 C ATOM 577 CG GLU A 40 11.722 -8.559 -1.750 1.00 0.00 C ATOM 578 CD GLU A 40 12.988 -9.145 -1.155 1.00 0.00 C ATOM 579 OE1 GLU A 40 12.927 -9.659 -0.019 1.00 0.00 O ATOM 580 OE2 GLU A 40 14.039 -9.090 -1.827 1.00 0.00 O ATOM 0 H GLU A 40 9.986 -6.466 -2.574 1.00 0.00 H new ATOM 0 HA GLU A 40 9.065 -8.791 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.245 -6.802 -0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.010 -8.300 0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.130 -9.359 -2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.987 -7.873 -2.555 1.00 0.00 H new ATOM 587 N LYS A 41 8.731 -6.088 0.535 1.00 0.00 N ATOM 588 CA LYS A 41 8.020 -5.544 1.686 1.00 0.00 C ATOM 589 C LYS A 41 6.511 -5.600 1.470 1.00 0.00 C ATOM 590 O LYS A 41 5.762 -6.000 2.361 1.00 0.00 O ATOM 591 CB LYS A 41 8.456 -4.101 1.945 1.00 0.00 C ATOM 592 CG LYS A 41 9.957 -3.940 2.120 1.00 0.00 C ATOM 593 CD LYS A 41 10.401 -4.335 3.518 1.00 0.00 C ATOM 594 CE LYS A 41 11.889 -4.645 3.563 1.00 0.00 C ATOM 595 NZ LYS A 41 12.363 -4.891 4.954 1.00 0.00 N ATOM 0 H LYS A 41 9.336 -5.419 0.058 1.00 0.00 H new ATOM 0 HA LYS A 41 8.267 -6.153 2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.127 -3.476 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.953 -3.733 2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.478 -4.554 1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.238 -2.905 1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.175 -3.527 4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.836 -5.207 3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.096 -5.521 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.446 -3.814 3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.382 -5.099 4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.189 -4.046 5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.850 -5.700 5.358 1.00 0.00 H new ATOM 609 N ILE A 42 6.073 -5.197 0.282 1.00 0.00 N ATOM 610 CA ILE A 42 4.654 -5.204 -0.051 1.00 0.00 C ATOM 611 C ILE A 42 4.022 -6.555 0.265 1.00 0.00 C ATOM 612 O ILE A 42 2.900 -6.624 0.764 1.00 0.00 O ATOM 613 CB ILE A 42 4.424 -4.877 -1.538 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.945 -3.476 -1.862 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.946 -4.991 -1.882 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.224 -3.259 -3.333 1.00 0.00 C ATOM 0 H ILE A 42 6.680 -4.862 -0.466 1.00 0.00 H new ATOM 0 HA ILE A 42 4.182 -4.434 0.559 1.00 0.00 H new ATOM 0 HB ILE A 42 4.975 -5.597 -2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.215 -2.739 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.860 -3.298 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.799 -4.757 -2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.604 -6.007 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.375 -4.291 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.590 -2.244 -3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.977 -3.972 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.306 -3.404 -3.903 1.00 0.00 H new ATOM 628 N GLU A 43 4.752 -7.627 -0.028 1.00 0.00 N ATOM 629 CA GLU A 43 4.262 -8.977 0.226 1.00 0.00 C ATOM 630 C GLU A 43 3.834 -9.135 1.682 1.00 0.00 C ATOM 631 O GLU A 43 2.981 -9.963 2.003 1.00 0.00 O ATOM 632 CB GLU A 43 5.340 -10.008 -0.114 1.00 0.00 C ATOM 633 CG GLU A 43 5.688 -10.059 -1.593 1.00 0.00 C ATOM 634 CD GLU A 43 6.139 -11.436 -2.039 1.00 0.00 C ATOM 635 OE1 GLU A 43 5.397 -12.411 -1.797 1.00 0.00 O ATOM 636 OE2 GLU A 43 7.234 -11.539 -2.630 1.00 0.00 O ATOM 0 H GLU A 43 5.684 -7.587 -0.441 1.00 0.00 H new ATOM 0 HA GLU A 43 3.394 -9.146 -0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.241 -9.780 0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.002 -10.994 0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.818 -9.759 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.477 -9.337 -1.802 1.00 0.00 H new ATOM 643 N ALA A 44 4.432 -8.335 2.559 1.00 0.00 N ATOM 644 CA ALA A 44 4.113 -8.385 3.980 1.00 0.00 C ATOM 645 C ALA A 44 2.873 -7.554 4.293 1.00 0.00 C ATOM 646 O ALA A 44 1.853 -8.085 4.733 1.00 0.00 O ATOM 647 CB ALA A 44 5.297 -7.901 4.805 1.00 0.00 C ATOM 0 H ALA A 44 5.140 -7.644 2.310 1.00 0.00 H new ATOM 0 HA ALA A 44 3.901 -9.421 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.044 -7.944 5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.160 -8.538 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.536 -6.874 4.530 1.00 0.00 H new ATOM 653 N VAL A 45 2.968 -6.248 4.065 1.00 0.00 N ATOM 654 CA VAL A 45 1.854 -5.344 4.322 1.00 0.00 C ATOM 655 C VAL A 45 0.568 -5.862 3.688 1.00 0.00 C ATOM 656 O VAL A 45 -0.530 -5.574 4.164 1.00 0.00 O ATOM 657 CB VAL A 45 2.144 -3.929 3.787 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.108 -3.916 2.266 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.151 -2.929 4.360 1.00 0.00 C ATOM 0 H VAL A 45 3.806 -5.792 3.703 1.00 0.00 H new ATOM 0 HA VAL A 45 1.728 -5.296 5.404 1.00 0.00 H new ATOM 0 HB VAL A 45 3.144 -3.637 4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.315 -2.908 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.861 -4.602 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.122 -4.229 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.371 -1.935 3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.139 -3.215 4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.230 -2.919 5.447 1.00 0.00 H new ATOM 669 N ALA A 46 0.712 -6.628 2.612 1.00 0.00 N ATOM 670 CA ALA A 46 -0.438 -7.189 1.914 1.00 0.00 C ATOM 671 C ALA A 46 -1.014 -8.380 2.673 1.00 0.00 C ATOM 672 O ALA A 46 -2.228 -8.491 2.846 1.00 0.00 O ATOM 673 CB ALA A 46 -0.049 -7.599 0.501 1.00 0.00 C ATOM 0 H ALA A 46 1.614 -6.874 2.205 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.209 -6.420 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.917 -8.016 -0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.308 -6.726 -0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.741 -8.348 0.544 1.00 0.00 H new ATOM 679 N THR A 47 -0.135 -9.270 3.124 1.00 0.00 N ATOM 680 CA THR A 47 -0.557 -10.453 3.863 1.00 0.00 C ATOM 681 C THR A 47 -1.023 -10.087 5.267 1.00 0.00 C ATOM 682 O THR A 47 -1.774 -10.833 5.895 1.00 0.00 O ATOM 683 CB THR A 47 0.581 -11.486 3.964 1.00 0.00 C ATOM 684 OG1 THR A 47 0.050 -12.765 4.329 1.00 0.00 O ATOM 685 CG2 THR A 47 1.618 -11.051 4.989 1.00 0.00 C ATOM 0 H THR A 47 0.873 -9.194 2.990 1.00 0.00 H new ATOM 0 HA THR A 47 -1.388 -10.892 3.311 1.00 0.00 H new ATOM 0 HB THR A 47 1.064 -11.558 2.990 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.779 -13.417 4.390 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.412 -11.796 5.043 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.041 -10.091 4.694 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.145 -10.954 5.966 1.00 0.00 H new ATOM 693 N GLU A 48 -0.572 -8.935 5.754 1.00 0.00 N ATOM 694 CA GLU A 48 -0.944 -8.472 7.086 1.00 0.00 C ATOM 695 C GLU A 48 -2.344 -7.865 7.079 1.00 0.00 C ATOM 696 O GLU A 48 -3.131 -8.081 8.002 1.00 0.00 O ATOM 697 CB GLU A 48 0.068 -7.442 7.593 1.00 0.00 C ATOM 698 CG GLU A 48 -0.401 -6.682 8.822 1.00 0.00 C ATOM 699 CD GLU A 48 -1.026 -7.588 9.865 1.00 0.00 C ATOM 700 OE1 GLU A 48 -0.379 -8.585 10.248 1.00 0.00 O ATOM 701 OE2 GLU A 48 -2.162 -7.301 10.298 1.00 0.00 O ATOM 0 H GLU A 48 0.051 -8.306 5.247 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.943 -9.332 7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.005 -7.949 7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.280 -6.730 6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.445 -6.155 9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.126 -5.925 8.522 1.00 0.00 H new ATOM 708 N LEU A 49 -2.648 -7.104 6.034 1.00 0.00 N ATOM 709 CA LEU A 49 -3.952 -6.464 5.906 1.00 0.00 C ATOM 710 C LEU A 49 -4.932 -7.369 5.164 1.00 0.00 C ATOM 711 O LEU A 49 -6.119 -7.064 5.064 1.00 0.00 O ATOM 712 CB LEU A 49 -3.818 -5.129 5.172 1.00 0.00 C ATOM 713 CG LEU A 49 -3.105 -4.012 5.936 1.00 0.00 C ATOM 714 CD1 LEU A 49 -2.892 -2.803 5.038 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.897 -3.625 7.176 1.00 0.00 C ATOM 0 H LEU A 49 -2.008 -6.915 5.262 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.340 -6.283 6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.283 -5.303 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.816 -4.781 4.907 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.129 -4.380 6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.384 -2.019 5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.283 -3.089 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.857 -2.433 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.375 -2.829 7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.887 -3.276 6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.997 -4.492 7.829 1.00 0.00 H new ATOM 727 N ASN A 50 -4.425 -8.483 4.647 1.00 0.00 N ATOM 728 CA ASN A 50 -5.256 -9.433 3.916 1.00 0.00 C ATOM 729 C ASN A 50 -5.860 -8.784 2.674 1.00 0.00 C ATOM 730 O ASN A 50 -7.051 -8.929 2.402 1.00 0.00 O ATOM 731 CB ASN A 50 -6.370 -9.968 4.818 1.00 0.00 C ATOM 732 CG ASN A 50 -5.840 -10.510 6.132 1.00 0.00 C ATOM 733 OD1 ASN A 50 -5.375 -11.648 6.205 1.00 0.00 O ATOM 734 ND2 ASN A 50 -5.907 -9.695 7.178 1.00 0.00 N ATOM 0 H ASN A 50 -3.443 -8.750 4.720 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.624 -10.263 3.600 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.085 -9.171 5.019 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.911 -10.757 4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.565 -10.004 8.088 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.300 -8.760 7.072 1.00 0.00 H new ATOM 741 N VAL A 51 -5.028 -8.069 1.923 1.00 0.00 N ATOM 742 CA VAL A 51 -5.479 -7.400 0.709 1.00 0.00 C ATOM 743 C VAL A 51 -4.629 -7.805 -0.490 1.00 0.00 C ATOM 744 O VAL A 51 -3.436 -8.079 -0.355 1.00 0.00 O ATOM 745 CB VAL A 51 -5.432 -5.868 0.863 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.451 -5.403 1.892 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.031 -5.413 1.244 1.00 0.00 C ATOM 0 H VAL A 51 -4.039 -7.938 2.134 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.510 -7.710 0.541 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.687 -5.416 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.403 -4.318 1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.451 -5.695 1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.230 -5.862 2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.017 -4.328 1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.744 -5.872 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.327 -5.712 0.467 1.00 0.00 H new ATOM 757 N ASP A 52 -5.250 -7.842 -1.663 1.00 0.00 N ATOM 758 CA ASP A 52 -4.551 -8.212 -2.888 1.00 0.00 C ATOM 759 C ASP A 52 -3.270 -7.400 -3.049 1.00 0.00 C ATOM 760 O ASP A 52 -3.300 -6.169 -3.051 1.00 0.00 O ATOM 761 CB ASP A 52 -5.458 -8.004 -4.102 1.00 0.00 C ATOM 762 CG ASP A 52 -6.492 -9.103 -4.248 1.00 0.00 C ATOM 763 OD1 ASP A 52 -6.158 -10.159 -4.826 1.00 0.00 O ATOM 764 OD2 ASP A 52 -7.634 -8.908 -3.783 1.00 0.00 O ATOM 0 H ASP A 52 -6.237 -7.620 -1.792 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.285 -9.267 -2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.964 -7.043 -4.013 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.848 -7.961 -5.004 1.00 0.00 H new ATOM 769 N CYS A 53 -2.147 -8.097 -3.184 1.00 0.00 N ATOM 770 CA CYS A 53 -0.854 -7.440 -3.344 1.00 0.00 C ATOM 771 C CYS A 53 -0.960 -6.258 -4.302 1.00 0.00 C ATOM 772 O CYS A 53 -0.312 -5.230 -4.108 1.00 0.00 O ATOM 773 CB CYS A 53 0.187 -8.436 -3.856 1.00 0.00 C ATOM 774 SG CYS A 53 -0.245 -9.211 -5.432 1.00 0.00 S ATOM 0 H CYS A 53 -2.105 -9.116 -3.186 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.540 -7.067 -2.369 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.142 -7.923 -3.966 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.328 -9.215 -3.107 1.00 0.00 H new ATOM 0 HG CYS A 53 0.697 -10.035 -5.783 1.00 0.00 H new ATOM 780 N GLU A 54 -1.779 -6.413 -5.337 1.00 0.00 N ATOM 781 CA GLU A 54 -1.967 -5.359 -6.327 1.00 0.00 C ATOM 782 C GLU A 54 -2.540 -4.101 -5.680 1.00 0.00 C ATOM 783 O GLU A 54 -2.091 -2.989 -5.956 1.00 0.00 O ATOM 784 CB GLU A 54 -2.894 -5.838 -7.446 1.00 0.00 C ATOM 785 CG GLU A 54 -2.890 -4.935 -8.668 1.00 0.00 C ATOM 786 CD GLU A 54 -3.540 -5.584 -9.874 1.00 0.00 C ATOM 787 OE1 GLU A 54 -4.761 -5.842 -9.823 1.00 0.00 O ATOM 788 OE2 GLU A 54 -2.829 -5.834 -10.870 1.00 0.00 O ATOM 0 H GLU A 54 -2.323 -7.258 -5.512 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.993 -5.117 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.598 -6.843 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.911 -5.907 -7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.413 -4.008 -8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.862 -4.667 -8.914 1.00 0.00 H new ATOM 795 N ILE A 55 -3.535 -4.287 -4.818 1.00 0.00 N ATOM 796 CA ILE A 55 -4.169 -3.169 -4.132 1.00 0.00 C ATOM 797 C ILE A 55 -3.133 -2.287 -3.444 1.00 0.00 C ATOM 798 O ILE A 55 -3.224 -1.060 -3.480 1.00 0.00 O ATOM 799 CB ILE A 55 -5.188 -3.656 -3.085 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.358 -4.364 -3.771 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.687 -2.487 -2.248 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.254 -5.117 -2.813 1.00 0.00 C ATOM 0 H ILE A 55 -3.919 -5.201 -4.579 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.691 -2.587 -4.892 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.695 -4.368 -2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.953 -3.626 -4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.966 -5.060 -4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.406 -2.847 -1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.846 -2.022 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.167 -1.754 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.061 -5.594 -3.369 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.672 -5.878 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.675 -4.422 -2.086 1.00 0.00 H new ATOM 814 N VAL A 56 -2.146 -2.920 -2.818 1.00 0.00 N ATOM 815 CA VAL A 56 -1.089 -2.194 -2.124 1.00 0.00 C ATOM 816 C VAL A 56 -0.153 -1.508 -3.113 1.00 0.00 C ATOM 817 O VAL A 56 0.008 -0.288 -3.086 1.00 0.00 O ATOM 818 CB VAL A 56 -0.266 -3.129 -1.219 1.00 0.00 C ATOM 819 CG1 VAL A 56 0.919 -2.387 -0.620 1.00 0.00 C ATOM 820 CG2 VAL A 56 -1.144 -3.719 -0.125 1.00 0.00 C ATOM 0 H VAL A 56 -2.056 -3.935 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.576 -1.440 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 56 0.119 -3.948 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.488 -3.064 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.559 -2.017 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.560 -1.547 -0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.547 -4.377 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.559 -2.914 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.956 -4.288 -0.578 1.00 0.00 H new ATOM 830 N ARG A 57 0.462 -2.301 -3.984 1.00 0.00 N ATOM 831 CA ARG A 57 1.383 -1.770 -4.982 1.00 0.00 C ATOM 832 C ARG A 57 0.780 -0.561 -5.690 1.00 0.00 C ATOM 833 O ARG A 57 1.481 0.399 -6.011 1.00 0.00 O ATOM 834 CB ARG A 57 1.738 -2.850 -6.005 1.00 0.00 C ATOM 835 CG ARG A 57 2.950 -3.681 -5.618 1.00 0.00 C ATOM 836 CD ARG A 57 3.401 -4.575 -6.763 1.00 0.00 C ATOM 837 NE ARG A 57 3.827 -3.801 -7.926 1.00 0.00 N ATOM 838 CZ ARG A 57 4.484 -4.324 -8.956 1.00 0.00 C ATOM 839 NH1 ARG A 57 4.788 -5.614 -8.967 1.00 0.00 N ATOM 840 NH2 ARG A 57 4.838 -3.555 -9.978 1.00 0.00 N ATOM 0 H ARG A 57 0.339 -3.313 -4.019 1.00 0.00 H new ATOM 0 HA ARG A 57 2.291 -1.453 -4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.881 -3.511 -6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.925 -2.378 -6.969 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.767 -3.021 -5.327 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.710 -4.294 -4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.223 -5.207 -6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.585 -5.238 -7.048 1.00 0.00 H new ATOM 0 HE ARG A 57 3.608 -2.805 -7.949 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.518 -6.208 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.292 -6.012 -9.759 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.606 -2.562 -9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.342 -3.957 -10.768 1.00 0.00 H new ATOM 854 N THR A 58 -0.526 -0.615 -5.934 1.00 0.00 N ATOM 855 CA THR A 58 -1.224 0.474 -6.606 1.00 0.00 C ATOM 856 C THR A 58 -1.357 1.688 -5.693 1.00 0.00 C ATOM 857 O THR A 58 -1.264 2.829 -6.146 1.00 0.00 O ATOM 858 CB THR A 58 -2.627 0.040 -7.071 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.522 -1.060 -7.982 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.356 1.194 -7.742 1.00 0.00 C ATOM 0 H THR A 58 -1.122 -1.402 -5.676 1.00 0.00 H new ATOM 0 HA THR A 58 -0.627 0.742 -7.478 1.00 0.00 H new ATOM 0 HB THR A 58 -3.197 -0.268 -6.195 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.345 -1.884 -7.481 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.344 0.863 -8.062 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.460 2.018 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.787 1.529 -8.609 1.00 0.00 H new ATOM 868 N TRP A 59 -1.574 1.435 -4.408 1.00 0.00 N ATOM 869 CA TRP A 59 -1.718 2.509 -3.432 1.00 0.00 C ATOM 870 C TRP A 59 -0.471 3.386 -3.398 1.00 0.00 C ATOM 871 O TRP A 59 -0.565 4.609 -3.294 1.00 0.00 O ATOM 872 CB TRP A 59 -1.988 1.930 -2.042 1.00 0.00 C ATOM 873 CG TRP A 59 -1.892 2.947 -0.945 1.00 0.00 C ATOM 874 CD1 TRP A 59 -2.881 3.787 -0.518 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.744 3.233 -0.139 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.417 4.577 0.505 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.109 4.257 0.757 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.555 2.723 -0.085 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.220 4.778 1.693 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.437 3.241 0.844 1.00 0.00 C ATOM 881 CH2 TRP A 59 1.046 4.260 1.724 1.00 0.00 C ATOM 0 H TRP A 59 -1.654 0.496 -4.017 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.565 3.127 -3.731 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.983 1.485 -2.029 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.277 1.127 -1.846 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.881 3.824 -0.925 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.959 5.287 0.998 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.865 1.937 -0.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.519 5.564 2.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.444 2.855 0.893 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.758 4.643 2.440 1.00 0.00 H new ATOM 892 N ILE A 60 0.694 2.753 -3.486 1.00 0.00 N ATOM 893 CA ILE A 60 1.959 3.477 -3.466 1.00 0.00 C ATOM 894 C ILE A 60 2.038 4.476 -4.615 1.00 0.00 C ATOM 895 O ILE A 60 2.085 5.686 -4.397 1.00 0.00 O ATOM 896 CB ILE A 60 3.159 2.516 -3.554 1.00 0.00 C ATOM 897 CG1 ILE A 60 3.156 1.552 -2.365 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.462 3.299 -3.604 1.00 0.00 C ATOM 899 CD1 ILE A 60 4.200 0.463 -2.468 1.00 0.00 C ATOM 0 H ILE A 60 0.788 1.741 -3.572 1.00 0.00 H new ATOM 0 HA ILE A 60 2.001 4.012 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 60 3.073 1.933 -4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.322 2.118 -1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.171 1.093 -2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.301 2.606 -3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.463 3.949 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.558 3.904 -2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.140 -0.183 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.022 -0.128 -3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.191 0.913 -2.520 1.00 0.00 H new ATOM 911 N GLY A 61 2.050 3.961 -5.841 1.00 0.00 N ATOM 912 CA GLY A 61 2.122 4.822 -7.007 1.00 0.00 C ATOM 913 C GLY A 61 1.097 5.939 -6.967 1.00 0.00 C ATOM 914 O GLY A 61 1.425 7.100 -7.205 1.00 0.00 O ATOM 0 H GLY A 61 2.011 2.963 -6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.121 5.252 -7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.969 4.225 -7.906 1.00 0.00 H new ATOM 918 N ASN A 62 -0.149 5.586 -6.667 1.00 0.00 N ATOM 919 CA ASN A 62 -1.226 6.567 -6.599 1.00 0.00 C ATOM 920 C ASN A 62 -0.905 7.658 -5.583 1.00 0.00 C ATOM 921 O ASN A 62 -0.890 8.844 -5.913 1.00 0.00 O ATOM 922 CB ASN A 62 -2.544 5.883 -6.231 1.00 0.00 C ATOM 923 CG ASN A 62 -3.294 5.378 -7.448 1.00 0.00 C ATOM 924 OD1 ASN A 62 -2.692 5.060 -8.474 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.615 5.303 -7.340 1.00 0.00 N ATOM 0 H ASN A 62 -0.438 4.628 -6.467 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.326 7.029 -7.581 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.342 5.048 -5.560 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.174 6.585 -5.685 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.173 4.971 -8.127 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.072 5.577 -6.470 1.00 0.00 H new ATOM 932 N ARG A 63 -0.647 7.248 -4.345 1.00 0.00 N ATOM 933 CA ARG A 63 -0.327 8.191 -3.279 1.00 0.00 C ATOM 934 C ARG A 63 0.725 9.196 -3.741 1.00 0.00 C ATOM 935 O ARG A 63 0.524 10.407 -3.647 1.00 0.00 O ATOM 936 CB ARG A 63 0.175 7.444 -2.042 1.00 0.00 C ATOM 937 CG ARG A 63 -0.157 8.142 -0.733 1.00 0.00 C ATOM 938 CD ARG A 63 -1.490 7.671 -0.173 1.00 0.00 C ATOM 939 NE ARG A 63 -2.603 8.484 -0.656 1.00 0.00 N ATOM 940 CZ ARG A 63 -3.251 8.245 -1.791 1.00 0.00 C ATOM 941 NH1 ARG A 63 -2.898 7.221 -2.556 1.00 0.00 N ATOM 942 NH2 ARG A 63 -4.254 9.030 -2.162 1.00 0.00 N ATOM 0 H ARG A 63 -0.653 6.270 -4.055 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.237 8.734 -3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.259 6.444 -2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.256 7.322 -2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.632 7.950 -0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.188 9.220 -0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.653 6.630 -0.452 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.459 7.708 0.916 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.899 9.280 -0.091 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.128 6.615 -2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.397 7.039 -3.427 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.529 9.818 -1.576 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.751 8.845 -3.034 1.00 0.00 H new ATOM 956 N ARG A 64 1.846 8.685 -4.239 1.00 0.00 N ATOM 957 CA ARG A 64 2.929 9.537 -4.713 1.00 0.00 C ATOM 958 C ARG A 64 2.381 10.741 -5.474 1.00 0.00 C ATOM 959 O ARG A 64 2.805 11.875 -5.250 1.00 0.00 O ATOM 960 CB ARG A 64 3.877 8.741 -5.612 1.00 0.00 C ATOM 961 CG ARG A 64 4.633 7.644 -4.881 1.00 0.00 C ATOM 962 CD ARG A 64 5.831 7.162 -5.684 1.00 0.00 C ATOM 963 NE ARG A 64 5.471 6.837 -7.062 1.00 0.00 N ATOM 964 CZ ARG A 64 6.337 6.846 -8.069 1.00 0.00 C ATOM 965 NH1 ARG A 64 7.607 7.162 -7.853 1.00 0.00 N ATOM 966 NH2 ARG A 64 5.934 6.539 -9.295 1.00 0.00 N ATOM 0 H ARG A 64 2.028 7.685 -4.325 1.00 0.00 H new ATOM 0 HA ARG A 64 3.480 9.898 -3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.304 8.296 -6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.595 9.425 -6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.968 8.015 -3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.963 6.806 -4.687 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.602 7.932 -5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.259 6.282 -5.204 1.00 0.00 H new ATOM 0 HE ARG A 64 4.502 6.590 -7.262 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.921 7.399 -6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.270 7.168 -8.628 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.958 6.296 -9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.600 6.546 -10.068 1.00 0.00 H new