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 Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -137:sc= -1.02 USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= 0.276 (180deg=0.229) 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= -0.111 K(o=-0.11,f=-0.94) USER MOD Single : A 31 MET CE :methyl 142:sc= -2.1 (180deg=-6.18!) USER MOD Single : A 32 THR OG1 : rot 58:sc= 0.472 USER MOD Single : A 33 SER OG : rot 150:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 60:sc= -3.39 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= -0.509 X(o=-0.51,f=-0.88) USER MOD Single : A 53 CYS SG : rot -8:sc= 0.0192 USER MOD Single : A 58 THR OG1 : rot 74:sc= 0.354 USER MOD Single : A 62 ASN : amide:sc= -0.0308 K(o=-0.031,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 179 N PHE A 15 -9.678 2.794 2.405 1.00 0.00 N ATOM 180 CA PHE A 15 -8.927 2.311 3.558 1.00 0.00 C ATOM 181 C PHE A 15 -9.304 3.088 4.816 1.00 0.00 C ATOM 182 O PHE A 15 -9.787 4.218 4.740 1.00 0.00 O ATOM 183 CB PHE A 15 -7.424 2.433 3.301 1.00 0.00 C ATOM 184 CG PHE A 15 -6.832 1.230 2.623 1.00 0.00 C ATOM 185 CD1 PHE A 15 -7.021 -0.039 3.146 1.00 0.00 C ATOM 186 CD2 PHE A 15 -6.089 1.368 1.462 1.00 0.00 C ATOM 187 CE1 PHE A 15 -6.477 -1.148 2.525 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.543 0.263 0.836 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.738 -0.996 1.367 1.00 0.00 C ATOM 0 HA PHE A 15 -9.179 1.262 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.239 3.314 2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.913 2.593 4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.600 -0.163 4.049 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.934 2.350 1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.629 -2.132 2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.964 0.385 -0.068 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.314 -1.861 0.878 1.00 0.00 H new ATOM 199 N SER A 16 -9.079 2.473 5.973 1.00 0.00 N ATOM 200 CA SER A 16 -9.399 3.104 7.248 1.00 0.00 C ATOM 201 C SER A 16 -8.130 3.557 7.963 1.00 0.00 C ATOM 202 O SER A 16 -7.041 3.046 7.701 1.00 0.00 O ATOM 203 CB SER A 16 -10.181 2.136 8.138 1.00 0.00 C ATOM 204 OG SER A 16 -10.564 2.757 9.353 1.00 0.00 O ATOM 0 H SER A 16 -8.677 1.539 6.053 1.00 0.00 H new ATOM 0 HA SER A 16 -10.015 3.980 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.068 1.786 7.609 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.570 1.259 8.351 1.00 0.00 H new ATOM 0 HG SER A 16 -11.064 2.118 9.903 1.00 0.00 H new ATOM 210 N ASP A 17 -8.279 4.520 8.866 1.00 0.00 N ATOM 211 CA ASP A 17 -7.146 5.043 9.621 1.00 0.00 C ATOM 212 C ASP A 17 -6.250 3.909 10.112 1.00 0.00 C ATOM 213 O ASP A 17 -5.026 3.981 10.003 1.00 0.00 O ATOM 214 CB ASP A 17 -7.636 5.873 10.808 1.00 0.00 C ATOM 215 CG ASP A 17 -8.620 6.950 10.395 1.00 0.00 C ATOM 216 OD1 ASP A 17 -9.688 6.600 9.849 1.00 0.00 O ATOM 217 OD2 ASP A 17 -8.323 8.142 10.618 1.00 0.00 O ATOM 0 H ASP A 17 -9.173 4.954 9.093 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.563 5.682 8.958 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.107 5.215 11.538 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.781 6.336 11.301 1.00 0.00 H new ATOM 222 N ARG A 18 -6.869 2.866 10.654 1.00 0.00 N ATOM 223 CA ARG A 18 -6.128 1.718 11.164 1.00 0.00 C ATOM 224 C ARG A 18 -5.383 1.008 10.038 1.00 0.00 C ATOM 225 O ARG A 18 -4.195 0.707 10.159 1.00 0.00 O ATOM 226 CB ARG A 18 -7.077 0.740 11.859 1.00 0.00 C ATOM 227 CG ARG A 18 -7.456 1.157 13.270 1.00 0.00 C ATOM 228 CD ARG A 18 -6.484 0.597 14.297 1.00 0.00 C ATOM 229 NE ARG A 18 -6.361 1.465 15.464 1.00 0.00 N ATOM 230 CZ ARG A 18 -5.793 1.088 16.605 1.00 0.00 C ATOM 231 NH1 ARG A 18 -5.300 -0.137 16.729 1.00 0.00 N ATOM 232 NH2 ARG A 18 -5.718 1.935 17.623 1.00 0.00 N ATOM 0 H ARG A 18 -7.882 2.792 10.752 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.397 2.081 11.887 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.984 0.641 11.263 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.610 -0.244 11.893 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.471 2.245 13.337 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.464 0.810 13.495 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.820 -0.390 14.613 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.505 0.468 13.836 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.731 2.413 15.400 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.356 -0.791 15.948 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.864 -0.425 17.605 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.097 2.878 17.531 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.282 1.644 18.498 1.00 0.00 H new ATOM 246 N ASP A 19 -6.088 0.743 8.943 1.00 0.00 N ATOM 247 CA ASP A 19 -5.494 0.069 7.795 1.00 0.00 C ATOM 248 C ASP A 19 -4.303 0.857 7.259 1.00 0.00 C ATOM 249 O ASP A 19 -3.198 0.325 7.136 1.00 0.00 O ATOM 250 CB ASP A 19 -6.536 -0.118 6.691 1.00 0.00 C ATOM 251 CG ASP A 19 -7.836 -0.697 7.214 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.781 -1.560 8.116 1.00 0.00 O ATOM 253 OD2 ASP A 19 -8.907 -0.287 6.722 1.00 0.00 O ATOM 0 H ASP A 19 -7.072 0.985 8.827 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.142 -0.910 8.121 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.735 0.843 6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.132 -0.776 5.922 1.00 0.00 H new ATOM 258 N LEU A 20 -4.534 2.126 6.941 1.00 0.00 N ATOM 259 CA LEU A 20 -3.480 2.987 6.417 1.00 0.00 C ATOM 260 C LEU A 20 -2.255 2.963 7.326 1.00 0.00 C ATOM 261 O LEU A 20 -1.131 2.768 6.864 1.00 0.00 O ATOM 262 CB LEU A 20 -3.992 4.421 6.271 1.00 0.00 C ATOM 263 CG LEU A 20 -4.882 4.695 5.058 1.00 0.00 C ATOM 264 CD1 LEU A 20 -5.619 6.015 5.224 1.00 0.00 C ATOM 265 CD2 LEU A 20 -4.056 4.701 3.780 1.00 0.00 C ATOM 0 H LEU A 20 -5.442 2.581 7.037 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.190 2.609 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.549 4.680 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.132 5.090 6.224 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.620 3.896 4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.247 6.193 4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.242 5.974 6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.897 6.825 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.706 4.897 2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.295 5.478 3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.575 3.731 3.653 1.00 0.00 H new ATOM 277 N ALA A 21 -2.480 3.161 8.620 1.00 0.00 N ATOM 278 CA ALA A 21 -1.396 3.158 9.594 1.00 0.00 C ATOM 279 C ALA A 21 -0.366 2.082 9.265 1.00 0.00 C ATOM 280 O ALA A 21 0.835 2.279 9.455 1.00 0.00 O ATOM 281 CB ALA A 21 -1.947 2.951 10.997 1.00 0.00 C ATOM 0 H ALA A 21 -3.404 3.326 9.019 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.899 4.127 9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.126 2.951 11.714 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.640 3.757 11.238 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.471 1.996 11.045 1.00 0.00 H new ATOM 287 N THR A 22 -0.842 0.944 8.770 1.00 0.00 N ATOM 288 CA THR A 22 0.037 -0.163 8.416 1.00 0.00 C ATOM 289 C THR A 22 0.835 0.150 7.156 1.00 0.00 C ATOM 290 O THR A 22 2.019 -0.178 7.060 1.00 0.00 O ATOM 291 CB THR A 22 -0.758 -1.464 8.196 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.587 -1.729 9.333 1.00 0.00 O ATOM 293 CG2 THR A 22 0.180 -2.638 7.961 1.00 0.00 C ATOM 0 H THR A 22 -1.833 0.765 8.605 1.00 0.00 H new ATOM 0 HA THR A 22 0.722 -0.302 9.252 1.00 0.00 H new ATOM 0 HB THR A 22 -1.383 -1.337 7.312 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.539 -2.682 9.558 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.404 -3.545 7.808 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.789 -2.446 7.078 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.828 -2.765 8.828 1.00 0.00 H new ATOM 301 N LEU A 23 0.182 0.787 6.190 1.00 0.00 N ATOM 302 CA LEU A 23 0.832 1.146 4.934 1.00 0.00 C ATOM 303 C LEU A 23 1.956 2.150 5.170 1.00 0.00 C ATOM 304 O LEU A 23 3.131 1.838 4.979 1.00 0.00 O ATOM 305 CB LEU A 23 -0.190 1.728 3.957 1.00 0.00 C ATOM 306 CG LEU A 23 -0.911 0.721 3.060 1.00 0.00 C ATOM 307 CD1 LEU A 23 -2.119 1.364 2.397 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.041 0.163 2.012 1.00 0.00 C ATOM 0 H LEU A 23 -0.797 1.066 6.252 1.00 0.00 H new ATOM 0 HA LEU A 23 1.262 0.241 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.939 2.276 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.318 2.453 3.321 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.260 -0.104 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.619 0.632 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.811 1.713 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.794 2.208 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.489 -0.552 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.421 0.977 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.874 -0.337 2.506 1.00 0.00 H new ATOM 320 N LYS A 24 1.587 3.356 5.589 1.00 0.00 N ATOM 321 CA LYS A 24 2.563 4.406 5.855 1.00 0.00 C ATOM 322 C LYS A 24 3.745 3.861 6.651 1.00 0.00 C ATOM 323 O LYS A 24 4.899 4.175 6.361 1.00 0.00 O ATOM 324 CB LYS A 24 1.907 5.558 6.619 1.00 0.00 C ATOM 325 CG LYS A 24 0.869 5.104 7.631 1.00 0.00 C ATOM 326 CD LYS A 24 0.603 6.175 8.675 1.00 0.00 C ATOM 327 CE LYS A 24 1.666 6.170 9.763 1.00 0.00 C ATOM 328 NZ LYS A 24 1.455 5.065 10.739 1.00 0.00 N ATOM 0 H LYS A 24 0.618 3.630 5.752 1.00 0.00 H new ATOM 0 HA LYS A 24 2.932 4.776 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.680 6.128 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.435 6.234 5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.060 4.858 7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.212 4.193 8.122 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.577 7.153 8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.378 6.013 9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.651 6.069 9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.653 7.125 10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.305 4.955 11.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.640 5.288 11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.273 4.179 10.226 1.00 0.00 H new ATOM 342 N LYS A 25 3.449 3.042 7.654 1.00 0.00 N ATOM 343 CA LYS A 25 4.487 2.450 8.490 1.00 0.00 C ATOM 344 C LYS A 25 5.661 1.972 7.644 1.00 0.00 C ATOM 345 O LYS A 25 6.817 2.275 7.941 1.00 0.00 O ATOM 346 CB LYS A 25 3.916 1.281 9.296 1.00 0.00 C ATOM 347 CG LYS A 25 4.684 0.991 10.574 1.00 0.00 C ATOM 348 CD LYS A 25 4.451 2.067 11.622 1.00 0.00 C ATOM 349 CE LYS A 25 5.519 2.031 12.704 1.00 0.00 C ATOM 350 NZ LYS A 25 5.340 0.873 13.623 1.00 0.00 N ATOM 0 H LYS A 25 2.499 2.773 7.908 1.00 0.00 H new ATOM 0 HA LYS A 25 4.846 3.217 9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.877 1.497 9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.914 0.387 8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.379 0.023 10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.749 0.923 10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.448 3.047 11.145 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.469 1.930 12.074 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.504 1.977 12.240 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.487 2.958 13.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.088 0.885 14.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.411 0.937 14.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.397 -0.013 13.081 1.00 0.00 H new ATOM 364 N TYR A 26 5.358 1.225 6.588 1.00 0.00 N ATOM 365 CA TYR A 26 6.390 0.704 5.698 1.00 0.00 C ATOM 366 C TYR A 26 7.024 1.827 4.884 1.00 0.00 C ATOM 367 O TYR A 26 8.223 1.806 4.605 1.00 0.00 O ATOM 368 CB TYR A 26 5.799 -0.350 4.760 1.00 0.00 C ATOM 369 CG TYR A 26 5.651 -1.713 5.398 1.00 0.00 C ATOM 370 CD1 TYR A 26 4.591 -1.990 6.252 1.00 0.00 C ATOM 371 CD2 TYR A 26 6.571 -2.723 5.146 1.00 0.00 C ATOM 372 CE1 TYR A 26 4.452 -3.234 6.837 1.00 0.00 C ATOM 373 CE2 TYR A 26 6.439 -3.970 5.726 1.00 0.00 C ATOM 374 CZ TYR A 26 5.378 -4.220 6.571 1.00 0.00 C ATOM 375 OH TYR A 26 5.243 -5.461 7.151 1.00 0.00 O ATOM 0 H TYR A 26 4.406 0.967 6.327 1.00 0.00 H new ATOM 0 HA TYR A 26 7.164 0.242 6.311 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.822 -0.011 4.416 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.435 -0.438 3.879 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.863 -1.220 6.462 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.403 -2.530 4.486 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.622 -3.433 7.499 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.163 -4.745 5.519 1.00 0.00 H new ATOM 0 HH TYR A 26 5.978 -6.040 6.859 1.00 0.00 H new ATOM 385 N TRP A 27 6.211 2.807 4.506 1.00 0.00 N ATOM 386 CA TRP A 27 6.692 3.941 3.724 1.00 0.00 C ATOM 387 C TRP A 27 7.866 4.623 4.419 1.00 0.00 C ATOM 388 O TRP A 27 8.735 5.200 3.766 1.00 0.00 O ATOM 389 CB TRP A 27 5.563 4.947 3.498 1.00 0.00 C ATOM 390 CG TRP A 27 5.989 6.153 2.717 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.900 7.096 3.098 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.520 6.546 1.423 1.00 0.00 C ATOM 393 NE1 TRP A 27 7.025 8.052 2.119 1.00 0.00 N ATOM 394 CE2 TRP A 27 6.190 7.737 1.080 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.601 6.006 0.519 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.967 8.395 -0.126 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.381 6.661 -0.678 1.00 0.00 C ATOM 398 CH2 TRP A 27 5.062 7.845 -0.992 1.00 0.00 C ATOM 0 H TRP A 27 5.216 2.840 4.728 1.00 0.00 H new ATOM 0 HA TRP A 27 7.033 3.566 2.759 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.746 4.453 2.973 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.173 5.268 4.464 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.443 7.091 4.032 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.640 8.865 2.159 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.072 5.093 0.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.490 9.308 -0.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.672 6.253 -1.384 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.869 8.333 -1.936 1.00 0.00 H new ATOM 409 N ASP A 28 7.884 4.553 5.745 1.00 0.00 N ATOM 410 CA ASP A 28 8.952 5.163 6.528 1.00 0.00 C ATOM 411 C ASP A 28 10.286 4.475 6.257 1.00 0.00 C ATOM 412 O ASP A 28 11.333 4.922 6.723 1.00 0.00 O ATOM 413 CB ASP A 28 8.623 5.095 8.020 1.00 0.00 C ATOM 414 CG ASP A 28 9.647 5.817 8.873 1.00 0.00 C ATOM 415 OD1 ASP A 28 10.110 6.898 8.455 1.00 0.00 O ATOM 416 OD2 ASP A 28 9.986 5.301 9.959 1.00 0.00 O ATOM 0 H ASP A 28 7.171 4.080 6.300 1.00 0.00 H new ATOM 0 HA ASP A 28 9.035 6.208 6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.639 5.531 8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.568 4.051 8.330 1.00 0.00 H new ATOM 421 N ASN A 29 10.240 3.382 5.502 1.00 0.00 N ATOM 422 CA ASN A 29 11.444 2.630 5.170 1.00 0.00 C ATOM 423 C ASN A 29 11.758 2.735 3.680 1.00 0.00 C ATOM 424 O ASN A 29 12.572 1.979 3.152 1.00 0.00 O ATOM 425 CB ASN A 29 11.280 1.162 5.566 1.00 0.00 C ATOM 426 CG ASN A 29 11.728 0.893 6.989 1.00 0.00 C ATOM 427 OD1 ASN A 29 12.715 1.459 7.458 1.00 0.00 O ATOM 428 ND2 ASN A 29 11.002 0.025 7.684 1.00 0.00 N ATOM 0 H ASN A 29 9.381 2.997 5.109 1.00 0.00 H new ATOM 0 HA ASN A 29 12.275 3.059 5.729 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.234 0.874 5.457 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.856 0.538 4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.255 -0.196 8.647 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.191 -0.421 7.255 1.00 0.00 H new ATOM 435 N GLY A 30 11.105 3.679 3.008 1.00 0.00 N ATOM 436 CA GLY A 30 11.328 3.866 1.587 1.00 0.00 C ATOM 437 C GLY A 30 10.423 2.995 0.738 1.00 0.00 C ATOM 438 O GLY A 30 10.810 2.554 -0.343 1.00 0.00 O ATOM 0 H GLY A 30 10.426 4.317 3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.164 4.913 1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.368 3.640 1.353 1.00 0.00 H new ATOM 442 N MET A 31 9.214 2.745 1.231 1.00 0.00 N ATOM 443 CA MET A 31 8.251 1.921 0.510 1.00 0.00 C ATOM 444 C MET A 31 7.563 2.724 -0.589 1.00 0.00 C ATOM 445 O MET A 31 6.346 2.645 -0.762 1.00 0.00 O ATOM 446 CB MET A 31 7.207 1.356 1.475 1.00 0.00 C ATOM 447 CG MET A 31 6.651 0.007 1.049 1.00 0.00 C ATOM 448 SD MET A 31 4.999 -0.302 1.702 1.00 0.00 S ATOM 449 CE MET A 31 4.111 1.116 1.062 1.00 0.00 C ATOM 0 H MET A 31 8.878 3.101 2.126 1.00 0.00 H new ATOM 0 HA MET A 31 8.792 1.095 0.047 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.654 1.259 2.464 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.385 2.066 1.564 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.622 -0.042 -0.040 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.324 -0.782 1.386 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.107 0.813 0.764 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.045 1.883 1.834 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.640 1.517 0.197 1.00 0.00 H new ATOM 459 N THR A 32 8.349 3.497 -1.332 1.00 0.00 N ATOM 460 CA THR A 32 7.815 4.315 -2.413 1.00 0.00 C ATOM 461 C THR A 32 8.280 3.804 -3.771 1.00 0.00 C ATOM 462 O THR A 32 8.837 4.556 -4.571 1.00 0.00 O ATOM 463 CB THR A 32 8.234 5.790 -2.262 1.00 0.00 C ATOM 464 OG1 THR A 32 9.654 5.912 -2.402 1.00 0.00 O ATOM 465 CG2 THR A 32 7.804 6.338 -0.909 1.00 0.00 C ATOM 0 H THR A 32 9.358 3.573 -1.204 1.00 0.00 H new ATOM 0 HA THR A 32 6.729 4.245 -2.354 1.00 0.00 H new ATOM 0 HB THR A 32 7.741 6.368 -3.044 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.928 5.562 -3.275 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.110 7.381 -0.825 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.720 6.270 -0.817 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.273 5.757 -0.115 1.00 0.00 H new ATOM 473 N SER A 33 8.048 2.520 -4.026 1.00 0.00 N ATOM 474 CA SER A 33 8.447 1.907 -5.288 1.00 0.00 C ATOM 475 C SER A 33 7.528 0.741 -5.640 1.00 0.00 C ATOM 476 O SER A 33 6.848 0.188 -4.774 1.00 0.00 O ATOM 477 CB SER A 33 9.896 1.422 -5.208 1.00 0.00 C ATOM 478 OG SER A 33 10.520 1.469 -6.479 1.00 0.00 O ATOM 0 H SER A 33 7.586 1.884 -3.376 1.00 0.00 H new ATOM 0 HA SER A 33 8.366 2.661 -6.071 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.452 2.041 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.921 0.402 -4.825 1.00 0.00 H new ATOM 0 HG SER A 33 11.480 1.632 -6.366 1.00 0.00 H new ATOM 484 N LEU A 34 7.512 0.374 -6.916 1.00 0.00 N ATOM 485 CA LEU A 34 6.676 -0.727 -7.385 1.00 0.00 C ATOM 486 C LEU A 34 7.526 -1.945 -7.734 1.00 0.00 C ATOM 487 O LEU A 34 7.054 -3.080 -7.678 1.00 0.00 O ATOM 488 CB LEU A 34 5.863 -0.291 -8.606 1.00 0.00 C ATOM 489 CG LEU A 34 4.810 0.789 -8.359 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.617 1.640 -9.605 1.00 0.00 C ATOM 491 CD2 LEU A 34 3.492 0.161 -7.931 1.00 0.00 C ATOM 0 H LEU A 34 8.068 0.822 -7.645 1.00 0.00 H new ATOM 0 HA LEU A 34 5.993 -1.002 -6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.554 0.071 -9.368 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.365 -1.169 -9.018 1.00 0.00 H new ATOM 0 HG LEU A 34 5.161 1.434 -7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.864 2.404 -9.411 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.560 2.119 -9.868 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.289 1.008 -10.430 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.754 0.945 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.136 -0.507 -8.715 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.640 -0.405 -7.011 1.00 0.00 H new ATOM 503 N GLY A 35 8.783 -1.701 -8.092 1.00 0.00 N ATOM 504 CA GLY A 35 9.678 -2.788 -8.443 1.00 0.00 C ATOM 505 C GLY A 35 9.908 -3.745 -7.290 1.00 0.00 C ATOM 506 O GLY A 35 9.351 -3.567 -6.207 1.00 0.00 O ATOM 0 H GLY A 35 9.197 -0.770 -8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.264 -3.336 -9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.634 -2.377 -8.766 1.00 0.00 H new ATOM 510 N SER A 36 10.729 -4.763 -7.522 1.00 0.00 N ATOM 511 CA SER A 36 11.027 -5.755 -6.496 1.00 0.00 C ATOM 512 C SER A 36 11.603 -5.091 -5.249 1.00 0.00 C ATOM 513 O SER A 36 11.415 -5.572 -4.132 1.00 0.00 O ATOM 514 CB SER A 36 12.010 -6.797 -7.033 1.00 0.00 C ATOM 515 OG SER A 36 11.381 -7.659 -7.965 1.00 0.00 O ATOM 0 H SER A 36 11.200 -4.923 -8.412 1.00 0.00 H new ATOM 0 HA SER A 36 10.095 -6.251 -6.225 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.853 -6.295 -7.508 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.412 -7.382 -6.206 1.00 0.00 H new ATOM 0 HG SER A 36 12.031 -8.314 -8.295 1.00 0.00 H new ATOM 521 N VAL A 37 12.306 -3.981 -5.449 1.00 0.00 N ATOM 522 CA VAL A 37 12.910 -3.248 -4.342 1.00 0.00 C ATOM 523 C VAL A 37 11.910 -3.041 -3.211 1.00 0.00 C ATOM 524 O VAL A 37 12.269 -3.095 -2.034 1.00 0.00 O ATOM 525 CB VAL A 37 13.442 -1.877 -4.801 1.00 0.00 C ATOM 526 CG1 VAL A 37 14.736 -2.041 -5.582 1.00 0.00 C ATOM 527 CG2 VAL A 37 12.395 -1.151 -5.632 1.00 0.00 C ATOM 0 H VAL A 37 12.472 -3.569 -6.367 1.00 0.00 H new ATOM 0 HA VAL A 37 13.744 -3.850 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 37 13.653 -1.274 -3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.097 -1.062 -5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.485 -2.517 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.555 -2.662 -6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.787 -0.184 -5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.150 -1.748 -6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.496 -1.000 -5.034 1.00 0.00 H new ATOM 537 N CYS A 38 10.654 -2.804 -3.574 1.00 0.00 N ATOM 538 CA CYS A 38 9.601 -2.588 -2.589 1.00 0.00 C ATOM 539 C CYS A 38 8.651 -3.780 -2.538 1.00 0.00 C ATOM 540 O CYS A 38 8.176 -4.162 -1.468 1.00 0.00 O ATOM 541 CB CYS A 38 8.821 -1.313 -2.915 1.00 0.00 C ATOM 542 SG CYS A 38 9.580 0.200 -2.279 1.00 0.00 S ATOM 0 H CYS A 38 10.341 -2.757 -4.543 1.00 0.00 H new ATOM 0 HA CYS A 38 10.070 -2.478 -1.611 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.720 -1.229 -3.997 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.814 -1.401 -2.506 1.00 0.00 H new ATOM 0 HG CYS A 38 10.768 0.336 -2.788 1.00 0.00 H new ATOM 548 N ARG A 39 8.378 -4.362 -3.701 1.00 0.00 N ATOM 549 CA ARG A 39 7.482 -5.509 -3.789 1.00 0.00 C ATOM 550 C ARG A 39 7.705 -6.464 -2.620 1.00 0.00 C ATOM 551 O ARG A 39 6.758 -6.862 -1.943 1.00 0.00 O ATOM 552 CB ARG A 39 7.694 -6.248 -5.112 1.00 0.00 C ATOM 553 CG ARG A 39 6.443 -6.936 -5.632 1.00 0.00 C ATOM 554 CD ARG A 39 6.537 -7.210 -7.125 1.00 0.00 C ATOM 555 NE ARG A 39 7.624 -8.130 -7.445 1.00 0.00 N ATOM 556 CZ ARG A 39 7.775 -8.705 -8.633 1.00 0.00 C ATOM 557 NH1 ARG A 39 6.911 -8.456 -9.608 1.00 0.00 N ATOM 558 NH2 ARG A 39 8.790 -9.532 -8.848 1.00 0.00 N ATOM 0 H ARG A 39 8.764 -4.058 -4.595 1.00 0.00 H new ATOM 0 HA ARG A 39 6.457 -5.142 -3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.047 -5.540 -5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.480 -6.992 -4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.294 -7.874 -5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.573 -6.312 -5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.594 -7.627 -7.477 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.689 -6.271 -7.657 1.00 0.00 H new ATOM 0 HE ARG A 39 8.305 -8.343 -6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.129 -7.822 -9.446 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.029 -8.899 -10.519 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.456 -9.727 -8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.904 -9.973 -9.761 1.00 0.00 H new ATOM 572 N GLU A 40 8.963 -6.827 -2.390 1.00 0.00 N ATOM 573 CA GLU A 40 9.309 -7.737 -1.304 1.00 0.00 C ATOM 574 C GLU A 40 8.598 -7.338 -0.014 1.00 0.00 C ATOM 575 O GLU A 40 8.004 -8.176 0.666 1.00 0.00 O ATOM 576 CB GLU A 40 10.822 -7.749 -1.082 1.00 0.00 C ATOM 577 CG GLU A 40 11.583 -8.565 -2.114 1.00 0.00 C ATOM 578 CD GLU A 40 13.013 -8.847 -1.696 1.00 0.00 C ATOM 579 OE1 GLU A 40 13.208 -9.552 -0.684 1.00 0.00 O ATOM 580 OE2 GLU A 40 13.937 -8.364 -2.383 1.00 0.00 O ATOM 0 H GLU A 40 9.759 -6.505 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 40 8.982 -8.738 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.191 -6.724 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.032 -8.148 -0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.064 -9.509 -2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.585 -8.031 -3.064 1.00 0.00 H new ATOM 587 N LYS A 41 8.662 -6.053 0.318 1.00 0.00 N ATOM 588 CA LYS A 41 8.025 -5.541 1.525 1.00 0.00 C ATOM 589 C LYS A 41 6.507 -5.523 1.374 1.00 0.00 C ATOM 590 O LYS A 41 5.779 -5.927 2.280 1.00 0.00 O ATOM 591 CB LYS A 41 8.534 -4.132 1.837 1.00 0.00 C ATOM 592 CG LYS A 41 10.030 -4.067 2.088 1.00 0.00 C ATOM 593 CD LYS A 41 10.379 -4.519 3.496 1.00 0.00 C ATOM 594 CE LYS A 41 10.615 -6.021 3.557 1.00 0.00 C ATOM 595 NZ LYS A 41 11.580 -6.387 4.631 1.00 0.00 N ATOM 0 H LYS A 41 9.149 -5.346 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 41 8.282 -6.205 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.285 -3.472 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.010 -3.752 2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.549 -4.695 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.382 -3.047 1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.272 -3.995 3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.572 -4.248 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.667 -6.531 3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.992 -6.369 2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.714 -7.418 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.492 -5.921 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.208 -6.078 5.552 1.00 0.00 H new ATOM 609 N ILE A 42 6.038 -5.054 0.222 1.00 0.00 N ATOM 610 CA ILE A 42 4.607 -4.986 -0.048 1.00 0.00 C ATOM 611 C ILE A 42 3.932 -6.326 0.227 1.00 0.00 C ATOM 612 O ILE A 42 2.854 -6.379 0.817 1.00 0.00 O ATOM 613 CB ILE A 42 4.328 -4.573 -1.505 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.607 -3.081 -1.696 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.891 -4.901 -1.883 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.606 -2.647 -3.146 1.00 0.00 C ATOM 0 H ILE A 42 6.628 -4.716 -0.538 1.00 0.00 H new ATOM 0 HA ILE A 42 4.195 -4.230 0.620 1.00 0.00 H new ATOM 0 HB ILE A 42 4.993 -5.136 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.857 -2.507 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.574 -2.841 -1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.709 -4.603 -2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.723 -5.973 -1.780 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.210 -4.362 -1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.810 -1.578 -3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.375 -3.195 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.631 -2.855 -3.587 1.00 0.00 H new ATOM 628 N GLU A 43 4.575 -7.406 -0.205 1.00 0.00 N ATOM 629 CA GLU A 43 4.037 -8.746 -0.004 1.00 0.00 C ATOM 630 C GLU A 43 3.703 -8.984 1.466 1.00 0.00 C ATOM 631 O GLU A 43 2.868 -9.826 1.795 1.00 0.00 O ATOM 632 CB GLU A 43 5.036 -9.799 -0.488 1.00 0.00 C ATOM 633 CG GLU A 43 5.165 -9.866 -2.001 1.00 0.00 C ATOM 634 CD GLU A 43 5.564 -11.244 -2.492 1.00 0.00 C ATOM 635 OE1 GLU A 43 5.114 -12.242 -1.891 1.00 0.00 O ATOM 636 OE2 GLU A 43 6.325 -11.324 -3.479 1.00 0.00 O ATOM 0 H GLU A 43 5.469 -7.379 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 43 3.119 -8.832 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.014 -9.585 -0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.731 -10.776 -0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.216 -9.583 -2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.906 -9.138 -2.331 1.00 0.00 H new ATOM 643 N ALA A 44 4.362 -8.236 2.345 1.00 0.00 N ATOM 644 CA ALA A 44 4.135 -8.364 3.779 1.00 0.00 C ATOM 645 C ALA A 44 2.936 -7.532 4.221 1.00 0.00 C ATOM 646 O ALA A 44 1.938 -8.069 4.702 1.00 0.00 O ATOM 647 CB ALA A 44 5.380 -7.951 4.549 1.00 0.00 C ATOM 0 H ALA A 44 5.057 -7.535 2.089 1.00 0.00 H new ATOM 0 HA ALA A 44 3.918 -9.410 3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.196 -8.052 5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.214 -8.591 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.623 -6.914 4.319 1.00 0.00 H new ATOM 653 N VAL A 45 3.041 -6.217 4.055 1.00 0.00 N ATOM 654 CA VAL A 45 1.965 -5.310 4.437 1.00 0.00 C ATOM 655 C VAL A 45 0.624 -5.787 3.889 1.00 0.00 C ATOM 656 O VAL A 45 -0.427 -5.513 4.467 1.00 0.00 O ATOM 657 CB VAL A 45 2.232 -3.879 3.934 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.052 -3.799 2.426 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.321 -2.888 4.642 1.00 0.00 C ATOM 0 H VAL A 45 3.860 -5.756 3.659 1.00 0.00 H new ATOM 0 HA VAL A 45 1.928 -5.304 5.526 1.00 0.00 H new ATOM 0 HB VAL A 45 3.265 -3.618 4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.245 -2.780 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.750 -4.480 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.031 -4.080 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.523 -1.882 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.280 -3.145 4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.506 -2.926 5.715 1.00 0.00 H new ATOM 669 N ALA A 46 0.669 -6.503 2.770 1.00 0.00 N ATOM 670 CA ALA A 46 -0.542 -7.020 2.146 1.00 0.00 C ATOM 671 C ALA A 46 -1.053 -8.256 2.878 1.00 0.00 C ATOM 672 O ALA A 46 -2.247 -8.379 3.154 1.00 0.00 O ATOM 673 CB ALA A 46 -0.284 -7.342 0.681 1.00 0.00 C ATOM 0 H ALA A 46 1.531 -6.738 2.278 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.310 -6.249 2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.197 -7.727 0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.027 -6.437 0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.503 -8.092 0.607 1.00 0.00 H new ATOM 679 N THR A 47 -0.141 -9.172 3.192 1.00 0.00 N ATOM 680 CA THR A 47 -0.500 -10.399 3.892 1.00 0.00 C ATOM 681 C THR A 47 -0.855 -10.119 5.347 1.00 0.00 C ATOM 682 O THR A 47 -1.541 -10.912 5.991 1.00 0.00 O ATOM 683 CB THR A 47 0.646 -11.428 3.844 1.00 0.00 C ATOM 684 OG1 THR A 47 0.145 -12.733 4.156 1.00 0.00 O ATOM 685 CG2 THR A 47 1.749 -11.055 4.822 1.00 0.00 C ATOM 0 H THR A 47 0.851 -9.087 2.972 1.00 0.00 H new ATOM 0 HA THR A 47 -1.371 -10.811 3.382 1.00 0.00 H new ATOM 0 HB THR A 47 1.062 -11.430 2.836 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.879 -13.382 4.122 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.547 -11.796 4.770 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.148 -10.074 4.564 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.344 -11.028 5.834 1.00 0.00 H new ATOM 693 N GLU A 48 -0.385 -8.985 5.859 1.00 0.00 N ATOM 694 CA GLU A 48 -0.655 -8.602 7.240 1.00 0.00 C ATOM 695 C GLU A 48 -2.029 -7.950 7.365 1.00 0.00 C ATOM 696 O GLU A 48 -2.710 -8.100 8.380 1.00 0.00 O ATOM 697 CB GLU A 48 0.425 -7.643 7.746 1.00 0.00 C ATOM 698 CG GLU A 48 0.028 -6.890 9.005 1.00 0.00 C ATOM 699 CD GLU A 48 -0.555 -7.799 10.069 1.00 0.00 C ATOM 700 OE1 GLU A 48 0.002 -8.896 10.281 1.00 0.00 O ATOM 701 OE2 GLU A 48 -1.567 -7.413 10.689 1.00 0.00 O ATOM 0 H GLU A 48 0.184 -8.317 5.339 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.644 -9.505 7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.337 -8.207 7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.658 -6.924 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.902 -6.378 9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.702 -6.122 8.749 1.00 0.00 H new ATOM 708 N LEU A 49 -2.430 -7.224 6.327 1.00 0.00 N ATOM 709 CA LEU A 49 -3.722 -6.548 6.319 1.00 0.00 C ATOM 710 C LEU A 49 -4.776 -7.396 5.615 1.00 0.00 C ATOM 711 O LEU A 49 -5.944 -7.015 5.539 1.00 0.00 O ATOM 712 CB LEU A 49 -3.604 -5.186 5.632 1.00 0.00 C ATOM 713 CG LEU A 49 -2.857 -4.104 6.412 1.00 0.00 C ATOM 714 CD1 LEU A 49 -2.661 -2.865 5.551 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.605 -3.755 7.690 1.00 0.00 C ATOM 0 H LEU A 49 -1.878 -7.089 5.480 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.033 -6.400 7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.103 -5.327 4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.608 -4.822 5.416 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.875 -4.491 6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.128 -2.105 6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.082 -3.126 4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.633 -2.475 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.059 -2.983 8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.600 -3.387 7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.693 -4.644 8.315 1.00 0.00 H new ATOM 727 N ASN A 50 -4.356 -8.548 5.102 1.00 0.00 N ATOM 728 CA ASN A 50 -5.265 -9.451 4.406 1.00 0.00 C ATOM 729 C ASN A 50 -5.877 -8.772 3.184 1.00 0.00 C ATOM 730 O ASN A 50 -7.079 -8.876 2.940 1.00 0.00 O ATOM 731 CB ASN A 50 -6.373 -9.922 5.350 1.00 0.00 C ATOM 732 CG ASN A 50 -7.239 -11.003 4.731 1.00 0.00 C ATOM 733 OD1 ASN A 50 -6.738 -11.914 4.072 1.00 0.00 O ATOM 734 ND2 ASN A 50 -8.546 -10.905 4.942 1.00 0.00 N ATOM 0 H ASN A 50 -3.392 -8.878 5.155 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.692 -10.315 4.071 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.927 -10.300 6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.998 -9.072 5.625 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.179 -11.602 4.551 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.917 -10.132 5.495 1.00 0.00 H new ATOM 741 N VAL A 51 -5.041 -8.076 2.420 1.00 0.00 N ATOM 742 CA VAL A 51 -5.498 -7.380 1.223 1.00 0.00 C ATOM 743 C VAL A 51 -4.685 -7.794 0.002 1.00 0.00 C ATOM 744 O VAL A 51 -3.530 -8.204 0.123 1.00 0.00 O ATOM 745 CB VAL A 51 -5.408 -5.852 1.393 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.339 -5.382 2.501 1.00 0.00 C ATOM 747 CG2 VAL A 51 -3.974 -5.431 1.676 1.00 0.00 C ATOM 0 H VAL A 51 -4.043 -7.979 2.609 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.541 -7.660 1.073 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.724 -5.381 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.262 -4.300 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.366 -5.650 2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.057 -5.859 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.929 -4.348 1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.628 -5.910 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.336 -5.733 0.846 1.00 0.00 H new ATOM 757 N ASP A 52 -5.293 -7.682 -1.173 1.00 0.00 N ATOM 758 CA ASP A 52 -4.625 -8.043 -2.418 1.00 0.00 C ATOM 759 C ASP A 52 -3.341 -7.239 -2.598 1.00 0.00 C ATOM 760 O ASP A 52 -3.360 -6.008 -2.581 1.00 0.00 O ATOM 761 CB ASP A 52 -5.557 -7.811 -3.608 1.00 0.00 C ATOM 762 CG ASP A 52 -5.132 -8.591 -4.837 1.00 0.00 C ATOM 763 OD1 ASP A 52 -3.960 -8.459 -5.248 1.00 0.00 O ATOM 764 OD2 ASP A 52 -5.971 -9.335 -5.386 1.00 0.00 O ATOM 0 H ASP A 52 -6.248 -7.344 -1.290 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.367 -9.101 -2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.572 -8.098 -3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.580 -6.748 -3.846 1.00 0.00 H new ATOM 769 N CYS A 53 -2.227 -7.943 -2.769 1.00 0.00 N ATOM 770 CA CYS A 53 -0.933 -7.296 -2.950 1.00 0.00 C ATOM 771 C CYS A 53 -1.037 -6.142 -3.942 1.00 0.00 C ATOM 772 O CYS A 53 -0.280 -5.174 -3.863 1.00 0.00 O ATOM 773 CB CYS A 53 0.105 -8.309 -3.434 1.00 0.00 C ATOM 774 SG CYS A 53 -0.441 -9.310 -4.837 1.00 0.00 S ATOM 0 H CYS A 53 -2.194 -8.962 -2.786 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.617 -6.896 -1.987 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.014 -7.777 -3.713 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.364 -8.971 -2.608 1.00 0.00 H new ATOM 0 HG CYS A 53 -1.699 -9.081 -5.070 1.00 0.00 H new ATOM 780 N GLU A 54 -1.977 -6.253 -4.874 1.00 0.00 N ATOM 781 CA GLU A 54 -2.177 -5.219 -5.883 1.00 0.00 C ATOM 782 C GLU A 54 -2.672 -3.924 -5.245 1.00 0.00 C ATOM 783 O GLU A 54 -2.211 -2.835 -5.588 1.00 0.00 O ATOM 784 CB GLU A 54 -3.176 -5.694 -6.941 1.00 0.00 C ATOM 785 CG GLU A 54 -2.593 -6.698 -7.921 1.00 0.00 C ATOM 786 CD GLU A 54 -3.574 -7.087 -9.010 1.00 0.00 C ATOM 787 OE1 GLU A 54 -4.779 -7.214 -8.706 1.00 0.00 O ATOM 788 OE2 GLU A 54 -3.137 -7.265 -10.166 1.00 0.00 O ATOM 0 H GLU A 54 -2.612 -7.048 -4.952 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.217 -5.024 -6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.035 -6.143 -6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.544 -4.830 -7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.697 -6.277 -8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.284 -7.592 -7.379 1.00 0.00 H new ATOM 795 N ILE A 55 -3.614 -4.052 -4.317 1.00 0.00 N ATOM 796 CA ILE A 55 -4.172 -2.893 -3.631 1.00 0.00 C ATOM 797 C ILE A 55 -3.068 -2.002 -3.070 1.00 0.00 C ATOM 798 O ILE A 55 -3.151 -0.776 -3.137 1.00 0.00 O ATOM 799 CB ILE A 55 -5.108 -3.315 -2.483 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.377 -3.961 -3.042 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.456 -2.115 -1.615 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.094 -4.844 -2.045 1.00 0.00 C ATOM 0 H ILE A 55 -4.007 -4.946 -4.023 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.746 -2.335 -4.371 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.592 -4.049 -1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.057 -3.177 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.117 -4.553 -3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.118 -2.429 -0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.543 -1.695 -1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.956 -1.360 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.984 -5.269 -2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.431 -5.649 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.385 -4.252 -1.177 1.00 0.00 H new ATOM 814 N VAL A 56 -2.032 -2.628 -2.520 1.00 0.00 N ATOM 815 CA VAL A 56 -0.909 -1.893 -1.950 1.00 0.00 C ATOM 816 C VAL A 56 -0.046 -1.275 -3.044 1.00 0.00 C ATOM 817 O VAL A 56 0.183 -0.065 -3.058 1.00 0.00 O ATOM 818 CB VAL A 56 -0.031 -2.803 -1.071 1.00 0.00 C ATOM 819 CG1 VAL A 56 1.178 -2.039 -0.553 1.00 0.00 C ATOM 820 CG2 VAL A 56 -0.843 -3.376 0.081 1.00 0.00 C ATOM 0 H VAL A 56 -1.947 -3.643 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.330 -1.100 -1.332 1.00 0.00 H new ATOM 0 HB VAL A 56 0.327 -3.632 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.787 -2.698 0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.771 -1.682 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.844 -1.189 0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.207 -4.017 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.232 -2.562 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.673 -3.961 -0.315 1.00 0.00 H new ATOM 830 N ARG A 57 0.430 -2.112 -3.959 1.00 0.00 N ATOM 831 CA ARG A 57 1.269 -1.648 -5.057 1.00 0.00 C ATOM 832 C ARG A 57 0.695 -0.380 -5.681 1.00 0.00 C ATOM 833 O ARG A 57 1.425 0.569 -5.970 1.00 0.00 O ATOM 834 CB ARG A 57 1.402 -2.738 -6.122 1.00 0.00 C ATOM 835 CG ARG A 57 2.721 -2.696 -6.876 1.00 0.00 C ATOM 836 CD ARG A 57 3.147 -4.082 -7.332 1.00 0.00 C ATOM 837 NE ARG A 57 2.532 -4.453 -8.604 1.00 0.00 N ATOM 838 CZ ARG A 57 2.950 -5.466 -9.354 1.00 0.00 C ATOM 839 NH1 ARG A 57 3.979 -6.206 -8.963 1.00 0.00 N ATOM 840 NH2 ARG A 57 2.338 -5.742 -10.499 1.00 0.00 N ATOM 0 H ARG A 57 0.249 -3.116 -3.962 1.00 0.00 H new ATOM 0 HA ARG A 57 2.256 -1.420 -4.655 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.296 -3.713 -5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.583 -2.640 -6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.626 -2.040 -7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.493 -2.269 -6.236 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.232 -4.113 -7.431 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.875 -4.813 -6.571 1.00 0.00 H new ATOM 0 HE ARG A 57 1.738 -3.904 -8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.452 -5.998 -8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.297 -6.983 -9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.546 -5.176 -10.803 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.660 -6.520 -11.075 1.00 0.00 H new ATOM 854 N THR A 58 -0.618 -0.370 -5.887 1.00 0.00 N ATOM 855 CA THR A 58 -1.290 0.780 -6.479 1.00 0.00 C ATOM 856 C THR A 58 -1.311 1.961 -5.514 1.00 0.00 C ATOM 857 O THR A 58 -1.113 3.107 -5.917 1.00 0.00 O ATOM 858 CB THR A 58 -2.736 0.438 -6.885 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.750 -0.737 -7.703 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.374 1.595 -7.639 1.00 0.00 C ATOM 0 H THR A 58 -1.237 -1.146 -5.653 1.00 0.00 H new ATOM 0 HA THR A 58 -0.725 1.052 -7.370 1.00 0.00 H new ATOM 0 HB THR A 58 -3.312 0.255 -5.978 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.583 -1.526 -7.146 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.395 1.330 -7.915 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.388 2.480 -7.003 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.797 1.805 -8.540 1.00 0.00 H new ATOM 868 N TRP A 59 -1.552 1.673 -4.240 1.00 0.00 N ATOM 869 CA TRP A 59 -1.598 2.712 -3.218 1.00 0.00 C ATOM 870 C TRP A 59 -0.312 3.532 -3.216 1.00 0.00 C ATOM 871 O TRP A 59 -0.344 4.753 -3.062 1.00 0.00 O ATOM 872 CB TRP A 59 -1.822 2.090 -1.839 1.00 0.00 C ATOM 873 CG TRP A 59 -1.851 3.098 -0.730 1.00 0.00 C ATOM 874 CD1 TRP A 59 -2.895 3.910 -0.387 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.788 3.402 0.180 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.545 4.700 0.681 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.258 4.408 1.048 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.513 2.922 0.347 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.470 4.940 2.065 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.294 3.452 1.357 1.00 0.00 C ATOM 881 CH2 TRP A 59 0.800 4.451 2.206 1.00 0.00 C ATOM 0 H TRP A 59 -1.718 0.729 -3.890 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.430 3.377 -3.449 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.763 1.540 -1.845 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.031 1.366 -1.642 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.854 3.928 -0.883 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.146 5.392 1.128 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.902 2.151 -0.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.848 5.711 2.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.302 3.090 1.494 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.434 4.843 2.987 1.00 0.00 H new ATOM 892 N ILE A 60 0.817 2.853 -3.390 1.00 0.00 N ATOM 893 CA ILE A 60 2.113 3.520 -3.409 1.00 0.00 C ATOM 894 C ILE A 60 2.209 4.501 -4.573 1.00 0.00 C ATOM 895 O ILE A 60 2.362 5.705 -4.372 1.00 0.00 O ATOM 896 CB ILE A 60 3.267 2.505 -3.512 1.00 0.00 C ATOM 897 CG1 ILE A 60 3.300 1.610 -2.272 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.595 3.228 -3.686 1.00 0.00 C ATOM 899 CD1 ILE A 60 4.203 0.405 -2.419 1.00 0.00 C ATOM 0 H ILE A 60 0.860 1.842 -3.520 1.00 0.00 H new ATOM 0 HA ILE A 60 2.202 4.065 -2.469 1.00 0.00 H new ATOM 0 HB ILE A 60 3.101 1.876 -4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.631 2.200 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.288 1.271 -2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.401 2.497 -3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.567 3.827 -4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.770 3.879 -2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.177 -0.183 -1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.860 -0.207 -3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.224 0.736 -2.608 1.00 0.00 H new ATOM 911 N GLY A 61 2.116 3.976 -5.791 1.00 0.00 N ATOM 912 CA GLY A 61 2.193 4.820 -6.970 1.00 0.00 C ATOM 913 C GLY A 61 1.215 5.977 -6.919 1.00 0.00 C ATOM 914 O GLY A 61 1.545 7.095 -7.310 1.00 0.00 O ATOM 0 H GLY A 61 1.989 2.982 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.206 5.209 -7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.994 4.219 -7.857 1.00 0.00 H new ATOM 918 N ASN A 62 0.006 5.707 -6.438 1.00 0.00 N ATOM 919 CA ASN A 62 -1.025 6.734 -6.340 1.00 0.00 C ATOM 920 C ASN A 62 -0.554 7.895 -5.470 1.00 0.00 C ATOM 921 O ASN A 62 -0.634 9.057 -5.871 1.00 0.00 O ATOM 922 CB ASN A 62 -2.313 6.141 -5.765 1.00 0.00 C ATOM 923 CG ASN A 62 -3.196 5.530 -6.836 1.00 0.00 C ATOM 924 OD1 ASN A 62 -2.722 4.800 -7.706 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.489 5.827 -6.776 1.00 0.00 N ATOM 0 H ASN A 62 -0.284 4.786 -6.110 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.223 7.111 -7.343 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.061 5.379 -5.027 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.867 6.921 -5.242 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.133 5.445 -7.469 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.838 6.437 -6.037 1.00 0.00 H new ATOM 932 N ARG A 63 -0.064 7.573 -4.277 1.00 0.00 N ATOM 933 CA ARG A 63 0.419 8.590 -3.350 1.00 0.00 C ATOM 934 C ARG A 63 1.471 9.475 -4.013 1.00 0.00 C ATOM 935 O ARG A 63 1.350 10.700 -4.021 1.00 0.00 O ATOM 936 CB ARG A 63 1.006 7.932 -2.100 1.00 0.00 C ATOM 937 CG ARG A 63 1.132 8.878 -0.916 1.00 0.00 C ATOM 938 CD ARG A 63 1.233 8.117 0.396 1.00 0.00 C ATOM 939 NE ARG A 63 1.295 9.015 1.546 1.00 0.00 N ATOM 940 CZ ARG A 63 1.383 8.595 2.803 1.00 0.00 C ATOM 941 NH1 ARG A 63 1.420 7.297 3.071 1.00 0.00 N ATOM 942 NH2 ARG A 63 1.435 9.474 3.796 1.00 0.00 N ATOM 0 H ARG A 63 0.009 6.617 -3.930 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.427 9.214 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.378 7.088 -1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.990 7.530 -2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.014 9.506 -1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.269 9.543 -0.887 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.373 7.456 0.499 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.121 7.485 0.381 1.00 0.00 H new ATOM 0 HE ARG A 63 1.269 10.020 1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.381 6.618 2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.488 6.977 4.037 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.407 10.473 3.594 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.503 9.150 4.761 1.00 0.00 H new ATOM 956 N ARG A 64 2.502 8.845 -4.568 1.00 0.00 N ATOM 957 CA ARG A 64 3.575 9.575 -5.231 1.00 0.00 C ATOM 958 C ARG A 64 3.012 10.571 -6.242 1.00 0.00 C ATOM 959 O ARG A 64 3.378 11.746 -6.239 1.00 0.00 O ATOM 960 CB ARG A 64 4.525 8.603 -5.933 1.00 0.00 C ATOM 961 CG ARG A 64 5.290 7.702 -4.976 1.00 0.00 C ATOM 962 CD ARG A 64 6.343 6.882 -5.705 1.00 0.00 C ATOM 963 NE ARG A 64 5.752 5.781 -6.462 1.00 0.00 N ATOM 964 CZ ARG A 64 6.342 5.205 -7.503 1.00 0.00 C ATOM 965 NH1 ARG A 64 7.533 5.623 -7.909 1.00 0.00 N ATOM 966 NH2 ARG A 64 5.741 4.209 -8.140 1.00 0.00 N ATOM 0 H ARG A 64 2.616 7.831 -4.571 1.00 0.00 H new ATOM 0 HA ARG A 64 4.127 10.127 -4.471 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.953 7.983 -6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.237 9.172 -6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.768 8.309 -4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.594 7.034 -4.468 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.902 7.529 -6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.056 6.484 -4.983 1.00 0.00 H new ATOM 0 HE ARG A 64 4.836 5.436 -6.175 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.998 6.389 -7.421 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.984 5.179 -8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.825 3.885 -7.830 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.195 3.767 -8.939 1.00 0.00 H new