USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=14 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 -160:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0224 (180deg=-0.205) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= 0.661 F(o=-0.032,f=0.66) USER MOD Single : A 31 MET CE :methyl 141:sc= -2.28 (180deg=-6.76!) USER MOD Single : A 32 THR OG1 : rot 112:sc= 0.507 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 -156:sc= -0.871 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 :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.123 USER MOD Single : A 58 THR OG1 : rot 79:sc= 0.343 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 179 N PHE A 15 -8.395 3.609 2.271 1.00 0.00 N ATOM 180 CA PHE A 15 -8.016 2.796 3.421 1.00 0.00 C ATOM 181 C PHE A 15 -8.474 3.449 4.722 1.00 0.00 C ATOM 182 O PHE A 15 -8.511 4.674 4.835 1.00 0.00 O ATOM 183 CB PHE A 15 -6.501 2.586 3.448 1.00 0.00 C ATOM 184 CG PHE A 15 -6.037 1.457 2.572 1.00 0.00 C ATOM 185 CD1 PHE A 15 -6.184 0.141 2.979 1.00 0.00 C ATOM 186 CD2 PHE A 15 -5.453 1.713 1.341 1.00 0.00 C ATOM 187 CE1 PHE A 15 -5.757 -0.899 2.175 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.025 0.677 0.533 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.178 -0.631 0.950 1.00 0.00 C ATOM 0 HA PHE A 15 -8.507 1.828 3.328 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.009 3.506 3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.187 2.392 4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.637 -0.075 3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.331 2.734 1.010 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.876 -1.921 2.504 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.571 0.890 -0.424 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.846 -1.442 0.319 1.00 0.00 H new ATOM 199 N SER A 16 -8.822 2.621 5.702 1.00 0.00 N ATOM 200 CA SER A 16 -9.281 3.117 6.994 1.00 0.00 C ATOM 201 C SER A 16 -8.109 3.621 7.830 1.00 0.00 C ATOM 202 O SER A 16 -6.999 3.095 7.744 1.00 0.00 O ATOM 203 CB SER A 16 -10.026 2.015 7.751 1.00 0.00 C ATOM 204 OG SER A 16 -10.468 2.475 9.016 1.00 0.00 O ATOM 0 H SER A 16 -8.795 1.604 5.626 1.00 0.00 H new ATOM 0 HA SER A 16 -9.961 3.950 6.815 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.881 1.680 7.163 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.372 1.153 7.882 1.00 0.00 H new ATOM 0 HG SER A 16 -10.942 1.753 9.479 1.00 0.00 H new ATOM 210 N ASP A 17 -8.365 4.643 8.640 1.00 0.00 N ATOM 211 CA ASP A 17 -7.332 5.219 9.493 1.00 0.00 C ATOM 212 C ASP A 17 -6.430 4.130 10.065 1.00 0.00 C ATOM 213 O ASP A 17 -5.217 4.311 10.179 1.00 0.00 O ATOM 214 CB ASP A 17 -7.969 6.020 10.630 1.00 0.00 C ATOM 215 CG ASP A 17 -9.078 5.256 11.326 1.00 0.00 C ATOM 216 OD1 ASP A 17 -10.229 5.312 10.846 1.00 0.00 O ATOM 217 OD2 ASP A 17 -8.795 4.603 12.353 1.00 0.00 O ATOM 0 H ASP A 17 -9.278 5.089 8.724 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.723 5.887 8.884 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.202 6.285 11.358 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.368 6.954 10.234 1.00 0.00 H new ATOM 222 N ARG A 18 -7.029 3.000 10.424 1.00 0.00 N ATOM 223 CA ARG A 18 -6.280 1.882 10.986 1.00 0.00 C ATOM 224 C ARG A 18 -5.411 1.220 9.921 1.00 0.00 C ATOM 225 O ARG A 18 -4.213 1.020 10.120 1.00 0.00 O ATOM 226 CB ARG A 18 -7.236 0.853 11.592 1.00 0.00 C ATOM 227 CG ARG A 18 -7.936 1.339 12.850 1.00 0.00 C ATOM 228 CD ARG A 18 -7.082 1.110 14.087 1.00 0.00 C ATOM 229 NE ARG A 18 -7.050 -0.297 14.477 1.00 0.00 N ATOM 230 CZ ARG A 18 -6.090 -0.831 15.224 1.00 0.00 C ATOM 231 NH1 ARG A 18 -5.089 -0.080 15.660 1.00 0.00 N ATOM 232 NH2 ARG A 18 -6.131 -2.120 15.537 1.00 0.00 N ATOM 0 H ARG A 18 -8.032 2.834 10.336 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.630 2.270 11.771 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.987 0.586 10.849 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.679 -0.055 11.824 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.162 2.401 12.754 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.887 0.819 12.962 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.066 1.456 13.896 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.472 1.706 14.912 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.806 -0.903 14.158 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.054 0.911 15.422 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.354 -0.493 16.233 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.900 -2.701 15.204 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.393 -2.529 16.111 1.00 0.00 H new ATOM 246 N ASP A 19 -6.023 0.881 8.791 1.00 0.00 N ATOM 247 CA ASP A 19 -5.306 0.242 7.695 1.00 0.00 C ATOM 248 C ASP A 19 -4.129 1.100 7.242 1.00 0.00 C ATOM 249 O ASP A 19 -2.995 0.625 7.162 1.00 0.00 O ATOM 250 CB ASP A 19 -6.250 -0.012 6.519 1.00 0.00 C ATOM 251 CG ASP A 19 -7.369 -0.972 6.871 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.087 -1.999 7.523 1.00 0.00 O ATOM 253 OD2 ASP A 19 -8.528 -0.695 6.497 1.00 0.00 O ATOM 0 H ASP A 19 -7.015 1.039 8.611 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.920 -0.712 8.054 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.678 0.935 6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.681 -0.414 5.681 1.00 0.00 H new ATOM 258 N LEU A 20 -4.405 2.365 6.946 1.00 0.00 N ATOM 259 CA LEU A 20 -3.369 3.290 6.500 1.00 0.00 C ATOM 260 C LEU A 20 -2.153 3.230 7.418 1.00 0.00 C ATOM 261 O LEU A 20 -1.030 3.012 6.965 1.00 0.00 O ATOM 262 CB LEU A 20 -3.918 4.718 6.454 1.00 0.00 C ATOM 263 CG LEU A 20 -4.690 5.099 5.190 1.00 0.00 C ATOM 264 CD1 LEU A 20 -5.342 6.464 5.355 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.770 5.088 3.979 1.00 0.00 C ATOM 0 H LEU A 20 -5.337 2.774 7.007 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.059 2.994 5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.573 4.862 7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.084 5.411 6.569 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.475 4.360 5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.887 6.719 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.033 6.438 6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.573 7.214 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.337 5.361 3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.962 5.804 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.351 4.090 3.850 1.00 0.00 H new ATOM 277 N ALA A 21 -2.385 3.423 8.713 1.00 0.00 N ATOM 278 CA ALA A 21 -1.310 3.387 9.696 1.00 0.00 C ATOM 279 C ALA A 21 -0.270 2.332 9.333 1.00 0.00 C ATOM 280 O ALA A 21 0.934 2.575 9.423 1.00 0.00 O ATOM 281 CB ALA A 21 -1.872 3.120 11.084 1.00 0.00 C ATOM 0 H ALA A 21 -3.309 3.606 9.105 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.819 4.360 9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.057 3.096 11.808 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.572 3.912 11.352 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.390 2.161 11.089 1.00 0.00 H new ATOM 287 N THR A 22 -0.741 1.159 8.922 1.00 0.00 N ATOM 288 CA THR A 22 0.148 0.067 8.547 1.00 0.00 C ATOM 289 C THR A 22 0.923 0.400 7.278 1.00 0.00 C ATOM 290 O THR A 22 2.149 0.294 7.241 1.00 0.00 O ATOM 291 CB THR A 22 -0.633 -1.243 8.330 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.394 -1.560 9.501 1.00 0.00 O ATOM 293 CG2 THR A 22 0.314 -2.390 8.008 1.00 0.00 C ATOM 0 H THR A 22 -1.734 0.941 8.840 1.00 0.00 H new ATOM 0 HA THR A 22 0.848 -0.068 9.371 1.00 0.00 H new ATOM 0 HB THR A 22 -1.308 -1.102 7.486 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.625 -2.512 9.493 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.260 -3.305 7.859 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.870 -2.158 7.100 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.011 -2.530 8.835 1.00 0.00 H new ATOM 301 N LEU A 23 0.201 0.803 6.238 1.00 0.00 N ATOM 302 CA LEU A 23 0.822 1.153 4.965 1.00 0.00 C ATOM 303 C LEU A 23 1.887 2.228 5.156 1.00 0.00 C ATOM 304 O LEU A 23 3.026 2.074 4.715 1.00 0.00 O ATOM 305 CB LEU A 23 -0.238 1.639 3.975 1.00 0.00 C ATOM 306 CG LEU A 23 -0.883 0.564 3.101 1.00 0.00 C ATOM 307 CD1 LEU A 23 -2.114 1.115 2.397 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.118 0.029 2.087 1.00 0.00 C ATOM 0 H LEU A 23 -0.815 0.895 6.251 1.00 0.00 H new ATOM 0 HA LEU A 23 1.302 0.260 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.025 2.144 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.217 2.384 3.323 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.195 -0.259 3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.560 0.335 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.839 1.448 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.827 1.957 1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.359 -0.735 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.461 0.844 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.970 -0.405 2.611 1.00 0.00 H new ATOM 320 N LYS A 24 1.509 3.317 5.818 1.00 0.00 N ATOM 321 CA LYS A 24 2.432 4.417 6.071 1.00 0.00 C ATOM 322 C LYS A 24 3.679 3.925 6.798 1.00 0.00 C ATOM 323 O LYS A 24 4.801 4.279 6.437 1.00 0.00 O ATOM 324 CB LYS A 24 1.744 5.507 6.897 1.00 0.00 C ATOM 325 CG LYS A 24 0.518 6.098 6.222 1.00 0.00 C ATOM 326 CD LYS A 24 0.004 7.318 6.969 1.00 0.00 C ATOM 327 CE LYS A 24 -0.943 6.925 8.093 1.00 0.00 C ATOM 328 NZ LYS A 24 -1.683 8.100 8.631 1.00 0.00 N ATOM 0 H LYS A 24 0.570 3.461 6.189 1.00 0.00 H new ATOM 0 HA LYS A 24 2.734 4.833 5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.453 5.091 7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.459 6.305 7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.764 6.375 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.268 5.345 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.846 7.876 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.510 7.982 6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.654 6.185 7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.377 6.453 8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.318 7.791 9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.006 8.796 9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.243 8.535 7.871 1.00 0.00 H new ATOM 342 N LYS A 25 3.475 3.106 7.824 1.00 0.00 N ATOM 343 CA LYS A 25 4.583 2.562 8.601 1.00 0.00 C ATOM 344 C LYS A 25 5.677 2.022 7.685 1.00 0.00 C ATOM 345 O LYS A 25 6.863 2.265 7.908 1.00 0.00 O ATOM 346 CB LYS A 25 4.085 1.451 9.529 1.00 0.00 C ATOM 347 CG LYS A 25 5.147 0.936 10.485 1.00 0.00 C ATOM 348 CD LYS A 25 5.453 1.947 11.576 1.00 0.00 C ATOM 349 CE LYS A 25 4.412 1.904 12.684 1.00 0.00 C ATOM 350 NZ LYS A 25 4.529 0.668 13.507 1.00 0.00 N ATOM 0 H LYS A 25 2.552 2.804 8.137 1.00 0.00 H new ATOM 0 HA LYS A 25 5.003 3.368 9.202 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.238 1.823 10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.719 0.621 8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.810 0.003 10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.058 0.711 9.931 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.439 1.745 11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.487 2.948 11.146 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.527 2.779 13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.415 1.957 12.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.017 0.798 14.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.120 -0.135 12.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.532 0.477 13.706 1.00 0.00 H new ATOM 364 N TYR A 26 5.270 1.290 6.654 1.00 0.00 N ATOM 365 CA TYR A 26 6.216 0.715 5.705 1.00 0.00 C ATOM 366 C TYR A 26 6.809 1.794 4.805 1.00 0.00 C ATOM 367 O TYR A 26 7.982 1.736 4.437 1.00 0.00 O ATOM 368 CB TYR A 26 5.529 -0.355 4.853 1.00 0.00 C ATOM 369 CG TYR A 26 5.423 -1.698 5.538 1.00 0.00 C ATOM 370 CD1 TYR A 26 4.399 -1.962 6.439 1.00 0.00 C ATOM 371 CD2 TYR A 26 6.347 -2.704 5.284 1.00 0.00 C ATOM 372 CE1 TYR A 26 4.299 -3.189 7.068 1.00 0.00 C ATOM 373 CE2 TYR A 26 6.255 -3.934 5.906 1.00 0.00 C ATOM 374 CZ TYR A 26 5.229 -4.171 6.798 1.00 0.00 C ATOM 375 OH TYR A 26 5.132 -5.394 7.421 1.00 0.00 O ATOM 0 H TYR A 26 4.292 1.081 6.454 1.00 0.00 H new ATOM 0 HA TYR A 26 7.026 0.255 6.271 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.529 -0.011 4.590 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.081 -0.475 3.921 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.669 -1.195 6.652 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.152 -2.521 4.588 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.497 -3.377 7.767 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.981 -4.705 5.696 1.00 0.00 H new ATOM 0 HH TYR A 26 5.863 -5.973 7.120 1.00 0.00 H new ATOM 385 N TRP A 27 5.989 2.779 4.455 1.00 0.00 N ATOM 386 CA TRP A 27 6.432 3.874 3.598 1.00 0.00 C ATOM 387 C TRP A 27 7.692 4.525 4.155 1.00 0.00 C ATOM 388 O TRP A 27 8.539 5.005 3.401 1.00 0.00 O ATOM 389 CB TRP A 27 5.323 4.918 3.457 1.00 0.00 C ATOM 390 CG TRP A 27 5.764 6.159 2.742 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.721 7.044 3.150 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.263 6.654 1.495 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.845 8.059 2.232 1.00 0.00 N ATOM 394 CE2 TRP A 27 5.963 7.842 1.207 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.294 6.208 0.593 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.721 8.588 0.057 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.055 6.949 -0.549 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.767 8.128 -0.809 1.00 0.00 C ATOM 0 H TRP A 27 5.015 2.842 4.751 1.00 0.00 H new ATOM 0 HA TRP A 27 6.662 3.463 2.615 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.484 4.476 2.919 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.960 5.188 4.449 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.296 6.959 4.060 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.490 8.846 2.303 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.741 5.300 0.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.267 9.498 -0.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.307 6.614 -1.253 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.558 8.684 -1.711 1.00 0.00 H new ATOM 409 N ASP A 28 7.811 4.539 5.478 1.00 0.00 N ATOM 410 CA ASP A 28 8.971 5.131 6.136 1.00 0.00 C ATOM 411 C ASP A 28 10.261 4.473 5.658 1.00 0.00 C ATOM 412 O ASP A 28 11.342 5.048 5.774 1.00 0.00 O ATOM 413 CB ASP A 28 8.847 4.996 7.654 1.00 0.00 C ATOM 414 CG ASP A 28 9.934 5.751 8.393 1.00 0.00 C ATOM 415 OD1 ASP A 28 10.338 6.830 7.912 1.00 0.00 O ATOM 416 OD2 ASP A 28 10.381 5.262 9.452 1.00 0.00 O ATOM 0 H ASP A 28 7.119 4.147 6.116 1.00 0.00 H new ATOM 0 HA ASP A 28 9.005 6.189 5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.872 5.367 7.970 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.891 3.942 7.927 1.00 0.00 H new ATOM 421 N ASN A 29 10.139 3.263 5.121 1.00 0.00 N ATOM 422 CA ASN A 29 11.297 2.526 4.626 1.00 0.00 C ATOM 423 C ASN A 29 11.447 2.697 3.118 1.00 0.00 C ATOM 424 O ASN A 29 11.999 1.834 2.437 1.00 0.00 O ATOM 425 CB ASN A 29 11.168 1.041 4.973 1.00 0.00 C ATOM 426 CG ASN A 29 12.516 0.371 5.155 1.00 0.00 C ATOM 427 OD1 ASN A 29 12.873 0.091 6.403 1.00 0.00 O flip ATOM 428 ND2 ASN A 29 13.227 0.108 4.185 1.00 0.00 N flip ATOM 0 H ASN A 29 9.251 2.772 5.017 1.00 0.00 H new ATOM 0 HA ASN A 29 12.187 2.929 5.109 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.585 0.934 5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.616 0.532 4.182 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.912 0.341 3.243 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.131 -0.343 4.323 1.00 0.00 H new ATOM 435 N GLY A 30 10.950 3.817 2.602 1.00 0.00 N ATOM 436 CA GLY A 30 11.039 4.082 1.178 1.00 0.00 C ATOM 437 C GLY A 30 10.123 3.190 0.364 1.00 0.00 C ATOM 438 O GLY A 30 10.312 3.028 -0.841 1.00 0.00 O ATOM 0 H GLY A 30 10.487 4.546 3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.787 5.125 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.068 3.938 0.848 1.00 0.00 H new ATOM 442 N MET A 31 9.127 2.608 1.025 1.00 0.00 N ATOM 443 CA MET A 31 8.178 1.726 0.354 1.00 0.00 C ATOM 444 C MET A 31 7.504 2.440 -0.813 1.00 0.00 C ATOM 445 O MET A 31 7.034 1.804 -1.757 1.00 0.00 O ATOM 446 CB MET A 31 7.121 1.233 1.344 1.00 0.00 C ATOM 447 CG MET A 31 6.564 -0.140 1.004 1.00 0.00 C ATOM 448 SD MET A 31 4.892 -0.387 1.632 1.00 0.00 S ATOM 449 CE MET A 31 4.036 0.988 0.867 1.00 0.00 C ATOM 0 H MET A 31 8.956 2.731 2.023 1.00 0.00 H new ATOM 0 HA MET A 31 8.728 0.870 -0.036 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.557 1.202 2.343 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.301 1.951 1.376 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.564 -0.270 -0.078 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.220 -0.906 1.417 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.044 0.667 0.549 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.941 1.802 1.585 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.601 1.332 0.001 1.00 0.00 H new ATOM 459 N THR A 32 7.460 3.767 -0.744 1.00 0.00 N ATOM 460 CA THR A 32 6.843 4.568 -1.794 1.00 0.00 C ATOM 461 C THR A 32 7.222 4.047 -3.176 1.00 0.00 C ATOM 462 O THR A 32 6.510 4.278 -4.153 1.00 0.00 O ATOM 463 CB THR A 32 7.252 6.049 -1.686 1.00 0.00 C ATOM 464 OG1 THR A 32 6.733 6.783 -2.800 1.00 0.00 O ATOM 465 CG2 THR A 32 8.766 6.190 -1.641 1.00 0.00 C ATOM 0 H THR A 32 7.845 4.310 0.029 1.00 0.00 H new ATOM 0 HA THR A 32 5.764 4.487 -1.661 1.00 0.00 H new ATOM 0 HB THR A 32 6.837 6.451 -0.762 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.045 7.407 -2.488 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.031 7.245 -1.565 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.156 5.654 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.198 5.772 -2.551 1.00 0.00 H new ATOM 473 N SER A 33 8.347 3.344 -3.251 1.00 0.00 N ATOM 474 CA SER A 33 8.822 2.793 -4.515 1.00 0.00 C ATOM 475 C SER A 33 8.074 1.511 -4.864 1.00 0.00 C ATOM 476 O SER A 33 7.543 0.828 -3.986 1.00 0.00 O ATOM 477 CB SER A 33 10.325 2.516 -4.442 1.00 0.00 C ATOM 478 OG SER A 33 10.926 2.622 -5.721 1.00 0.00 O ATOM 0 H SER A 33 8.947 3.142 -2.451 1.00 0.00 H new ATOM 0 HA SER A 33 8.633 3.528 -5.297 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.795 3.221 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.495 1.518 -4.039 1.00 0.00 H new ATOM 0 HG SER A 33 11.887 2.442 -5.647 1.00 0.00 H new ATOM 484 N LEU A 34 8.034 1.189 -6.152 1.00 0.00 N ATOM 485 CA LEU A 34 7.351 -0.012 -6.620 1.00 0.00 C ATOM 486 C LEU A 34 8.354 -1.076 -7.054 1.00 0.00 C ATOM 487 O LEU A 34 8.093 -2.273 -6.941 1.00 0.00 O ATOM 488 CB LEU A 34 6.417 0.329 -7.783 1.00 0.00 C ATOM 489 CG LEU A 34 5.034 0.858 -7.400 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.392 1.577 -8.577 1.00 0.00 C ATOM 491 CD2 LEU A 34 4.144 -0.278 -6.917 1.00 0.00 C ATOM 0 H LEU A 34 8.467 1.743 -6.891 1.00 0.00 H new ATOM 0 HA LEU A 34 6.762 -0.410 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.908 1.073 -8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.286 -0.565 -8.392 1.00 0.00 H new ATOM 0 HG LEU A 34 5.152 1.572 -6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.409 1.946 -8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.020 2.416 -8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.286 0.885 -9.412 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.164 0.116 -6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.033 -1.016 -7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.597 -0.749 -6.045 1.00 0.00 H new ATOM 503 N GLY A 35 9.504 -0.630 -7.551 1.00 0.00 N ATOM 504 CA GLY A 35 10.530 -1.556 -7.993 1.00 0.00 C ATOM 505 C GLY A 35 10.577 -2.815 -7.150 1.00 0.00 C ATOM 506 O GLY A 35 10.302 -2.777 -5.951 1.00 0.00 O ATOM 0 H GLY A 35 9.743 0.356 -7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.348 -1.826 -9.033 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.501 -1.062 -7.957 1.00 0.00 H new ATOM 510 N SER A 36 10.924 -3.934 -7.778 1.00 0.00 N ATOM 511 CA SER A 36 11.000 -5.211 -7.079 1.00 0.00 C ATOM 512 C SER A 36 11.642 -5.041 -5.705 1.00 0.00 C ATOM 513 O SER A 36 11.179 -5.609 -4.716 1.00 0.00 O ATOM 514 CB SER A 36 11.797 -6.222 -7.905 1.00 0.00 C ATOM 515 OG SER A 36 11.172 -6.466 -9.154 1.00 0.00 O ATOM 0 H SER A 36 11.157 -3.982 -8.770 1.00 0.00 H new ATOM 0 HA SER A 36 9.985 -5.584 -6.943 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.808 -5.847 -8.068 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.889 -7.157 -7.352 1.00 0.00 H new ATOM 0 HG SER A 36 11.702 -7.114 -9.664 1.00 0.00 H new ATOM 521 N VAL A 37 12.712 -4.254 -5.653 1.00 0.00 N ATOM 522 CA VAL A 37 13.418 -4.007 -4.401 1.00 0.00 C ATOM 523 C VAL A 37 12.442 -3.849 -3.241 1.00 0.00 C ATOM 524 O VAL A 37 12.684 -4.346 -2.141 1.00 0.00 O ATOM 525 CB VAL A 37 14.299 -2.747 -4.493 1.00 0.00 C ATOM 526 CG1 VAL A 37 13.482 -1.559 -4.980 1.00 0.00 C ATOM 527 CG2 VAL A 37 14.941 -2.447 -3.147 1.00 0.00 C ATOM 0 H VAL A 37 13.109 -3.777 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 37 14.054 -4.873 -4.220 1.00 0.00 H new ATOM 0 HB VAL A 37 15.094 -2.932 -5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.121 -0.678 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.074 -1.778 -5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.665 -1.369 -4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.560 -1.554 -3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.163 -2.281 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.561 -3.291 -2.843 1.00 0.00 H new ATOM 537 N CYS A 38 11.339 -3.154 -3.495 1.00 0.00 N ATOM 538 CA CYS A 38 10.325 -2.929 -2.471 1.00 0.00 C ATOM 539 C CYS A 38 9.200 -3.952 -2.586 1.00 0.00 C ATOM 540 O CYS A 38 8.514 -4.248 -1.607 1.00 0.00 O ATOM 541 CB CYS A 38 9.757 -1.514 -2.588 1.00 0.00 C ATOM 542 SG CYS A 38 10.892 -0.215 -2.045 1.00 0.00 S ATOM 0 H CYS A 38 11.124 -2.737 -4.401 1.00 0.00 H new ATOM 0 HA CYS A 38 10.798 -3.043 -1.496 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.481 -1.330 -3.626 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.842 -1.452 -1.999 1.00 0.00 H new ATOM 0 HG CYS A 38 10.213 0.839 -1.701 1.00 0.00 H new ATOM 548 N ARG A 39 9.015 -4.489 -3.788 1.00 0.00 N ATOM 549 CA ARG A 39 7.972 -5.477 -4.031 1.00 0.00 C ATOM 550 C ARG A 39 7.929 -6.511 -2.910 1.00 0.00 C ATOM 551 O ARG A 39 6.856 -6.950 -2.498 1.00 0.00 O ATOM 552 CB ARG A 39 8.203 -6.174 -5.374 1.00 0.00 C ATOM 553 CG ARG A 39 7.182 -7.257 -5.681 1.00 0.00 C ATOM 554 CD ARG A 39 7.489 -7.955 -6.996 1.00 0.00 C ATOM 555 NE ARG A 39 7.517 -7.021 -8.119 1.00 0.00 N ATOM 556 CZ ARG A 39 7.343 -7.387 -9.384 1.00 0.00 C ATOM 557 NH1 ARG A 39 7.131 -8.660 -9.686 1.00 0.00 N ATOM 558 NH2 ARG A 39 7.382 -6.478 -10.350 1.00 0.00 N ATOM 0 H ARG A 39 9.574 -4.256 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 39 7.014 -4.957 -4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.180 -5.429 -6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.200 -6.614 -5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.172 -7.989 -4.873 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.186 -6.817 -5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.452 -8.461 -6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.739 -8.723 -7.182 1.00 0.00 H new ATOM 0 HE ARG A 39 7.679 -6.034 -7.921 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.101 -9.362 -8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.998 -8.938 -10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.546 -5.498 -10.121 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.248 -6.760 -11.321 1.00 0.00 H new ATOM 572 N GLU A 40 9.105 -6.895 -2.422 1.00 0.00 N ATOM 573 CA GLU A 40 9.201 -7.879 -1.350 1.00 0.00 C ATOM 574 C GLU A 40 8.436 -7.413 -0.114 1.00 0.00 C ATOM 575 O GLU A 40 7.594 -8.136 0.419 1.00 0.00 O ATOM 576 CB GLU A 40 10.666 -8.132 -0.990 1.00 0.00 C ATOM 577 CG GLU A 40 11.444 -8.852 -2.079 1.00 0.00 C ATOM 578 CD GLU A 40 12.943 -8.659 -1.950 1.00 0.00 C ATOM 579 OE1 GLU A 40 13.572 -9.403 -1.170 1.00 0.00 O ATOM 580 OE2 GLU A 40 13.485 -7.764 -2.631 1.00 0.00 O ATOM 0 H GLU A 40 10.003 -6.540 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 40 8.755 -8.809 -1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.150 -7.178 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.710 -8.721 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.214 -9.917 -2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.117 -8.490 -3.054 1.00 0.00 H new ATOM 587 N LYS A 41 8.736 -6.199 0.337 1.00 0.00 N ATOM 588 CA LYS A 41 8.078 -5.634 1.509 1.00 0.00 C ATOM 589 C LYS A 41 6.564 -5.607 1.323 1.00 0.00 C ATOM 590 O LYS A 41 5.811 -5.948 2.236 1.00 0.00 O ATOM 591 CB LYS A 41 8.595 -4.219 1.777 1.00 0.00 C ATOM 592 CG LYS A 41 10.103 -4.143 1.940 1.00 0.00 C ATOM 593 CD LYS A 41 10.524 -4.428 3.372 1.00 0.00 C ATOM 594 CE LYS A 41 10.395 -3.191 4.248 1.00 0.00 C ATOM 595 NZ LYS A 41 10.853 -3.447 5.641 1.00 0.00 N ATOM 0 H LYS A 41 9.431 -5.588 -0.092 1.00 0.00 H new ATOM 0 HA LYS A 41 8.310 -6.267 2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.294 -3.569 0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.121 -3.833 2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.579 -4.860 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.452 -3.153 1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.909 -5.230 3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.556 -4.779 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.980 -2.378 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.356 -2.863 4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.749 -2.580 6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.278 -4.205 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.852 -3.735 5.630 1.00 0.00 H new ATOM 609 N ILE A 42 6.126 -5.202 0.137 1.00 0.00 N ATOM 610 CA ILE A 42 4.702 -5.134 -0.169 1.00 0.00 C ATOM 611 C ILE A 42 4.010 -6.457 0.138 1.00 0.00 C ATOM 612 O ILE A 42 2.873 -6.480 0.607 1.00 0.00 O ATOM 613 CB ILE A 42 4.460 -4.770 -1.646 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.939 -3.345 -1.928 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.986 -4.918 -1.992 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.301 -3.105 -3.377 1.00 0.00 C ATOM 0 H ILE A 42 6.736 -4.916 -0.629 1.00 0.00 H new ATOM 0 HA ILE A 42 4.281 -4.352 0.462 1.00 0.00 H new ATOM 0 HB ILE A 42 5.031 -5.455 -2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.158 -2.643 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.808 -3.132 -1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.830 -4.657 -3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.675 -5.949 -1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.396 -4.254 -1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.632 -2.074 -3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.104 -3.782 -3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.428 -3.285 -4.005 1.00 0.00 H new ATOM 628 N GLU A 43 4.705 -7.558 -0.130 1.00 0.00 N ATOM 629 CA GLU A 43 4.157 -8.887 0.119 1.00 0.00 C ATOM 630 C GLU A 43 3.774 -9.051 1.587 1.00 0.00 C ATOM 631 O GLU A 43 2.928 -9.876 1.929 1.00 0.00 O ATOM 632 CB GLU A 43 5.169 -9.963 -0.279 1.00 0.00 C ATOM 633 CG GLU A 43 5.616 -9.873 -1.728 1.00 0.00 C ATOM 634 CD GLU A 43 6.178 -11.182 -2.248 1.00 0.00 C ATOM 635 OE1 GLU A 43 5.404 -12.155 -2.367 1.00 0.00 O ATOM 636 OE2 GLU A 43 7.392 -11.233 -2.536 1.00 0.00 O ATOM 0 H GLU A 43 5.648 -7.556 -0.519 1.00 0.00 H new ATOM 0 HA GLU A 43 3.259 -9.001 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.043 -9.884 0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.730 -10.945 -0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.770 -9.574 -2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.372 -9.094 -1.823 1.00 0.00 H new ATOM 643 N ALA A 44 4.403 -8.259 2.449 1.00 0.00 N ATOM 644 CA ALA A 44 4.127 -8.315 3.879 1.00 0.00 C ATOM 645 C ALA A 44 2.940 -7.430 4.244 1.00 0.00 C ATOM 646 O ALA A 44 1.921 -7.914 4.737 1.00 0.00 O ATOM 647 CB ALA A 44 5.359 -7.902 4.671 1.00 0.00 C ATOM 0 H ALA A 44 5.107 -7.571 2.182 1.00 0.00 H new ATOM 0 HA ALA A 44 3.872 -9.343 4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.138 -7.948 5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.183 -8.578 4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.640 -6.883 4.403 1.00 0.00 H new ATOM 653 N VAL A 45 3.080 -6.131 4.001 1.00 0.00 N ATOM 654 CA VAL A 45 2.018 -5.178 4.304 1.00 0.00 C ATOM 655 C VAL A 45 0.680 -5.651 3.748 1.00 0.00 C ATOM 656 O VAL A 45 -0.380 -5.269 4.244 1.00 0.00 O ATOM 657 CB VAL A 45 2.335 -3.784 3.732 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.336 -3.818 2.211 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.340 -2.757 4.250 1.00 0.00 C ATOM 0 H VAL A 45 3.918 -5.714 3.595 1.00 0.00 H new ATOM 0 HA VAL A 45 1.954 -5.111 5.390 1.00 0.00 H new ATOM 0 HB VAL A 45 3.331 -3.492 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.562 -2.824 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.091 -4.523 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.355 -4.132 1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.579 -1.778 3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.332 -3.042 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.395 -2.714 5.338 1.00 0.00 H new ATOM 669 N ALA A 46 0.736 -6.486 2.716 1.00 0.00 N ATOM 670 CA ALA A 46 -0.472 -7.014 2.093 1.00 0.00 C ATOM 671 C ALA A 46 -1.063 -8.151 2.920 1.00 0.00 C ATOM 672 O ALA A 46 -2.271 -8.197 3.158 1.00 0.00 O ATOM 673 CB ALA A 46 -0.173 -7.487 0.678 1.00 0.00 C ATOM 0 H ALA A 46 1.605 -6.812 2.293 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.209 -6.212 2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.084 -7.879 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.196 -6.650 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.583 -8.271 0.709 1.00 0.00 H new ATOM 679 N THR A 47 -0.205 -9.068 3.356 1.00 0.00 N ATOM 680 CA THR A 47 -0.643 -10.206 4.154 1.00 0.00 C ATOM 681 C THR A 47 -1.030 -9.773 5.563 1.00 0.00 C ATOM 682 O THR A 47 -1.787 -10.461 6.247 1.00 0.00 O ATOM 683 CB THR A 47 0.454 -11.284 4.244 1.00 0.00 C ATOM 684 OG1 THR A 47 -0.110 -12.520 4.698 1.00 0.00 O ATOM 685 CG2 THR A 47 1.564 -10.849 5.188 1.00 0.00 C ATOM 0 H THR A 47 0.798 -9.045 3.170 1.00 0.00 H new ATOM 0 HA THR A 47 -1.515 -10.626 3.653 1.00 0.00 H new ATOM 0 HB THR A 47 0.879 -11.423 3.250 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.593 -13.200 4.751 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.327 -11.626 5.235 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.010 -9.924 4.823 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.151 -10.685 6.183 1.00 0.00 H new ATOM 693 N GLU A 48 -0.507 -8.628 5.990 1.00 0.00 N ATOM 694 CA GLU A 48 -0.799 -8.104 7.319 1.00 0.00 C ATOM 695 C GLU A 48 -2.177 -7.449 7.355 1.00 0.00 C ATOM 696 O GLU A 48 -2.893 -7.538 8.353 1.00 0.00 O ATOM 697 CB GLU A 48 0.270 -7.093 7.739 1.00 0.00 C ATOM 698 CG GLU A 48 -0.140 -6.230 8.921 1.00 0.00 C ATOM 699 CD GLU A 48 -0.805 -7.029 10.025 1.00 0.00 C ATOM 700 OE1 GLU A 48 -0.196 -8.015 10.491 1.00 0.00 O ATOM 701 OE2 GLU A 48 -1.933 -6.670 10.421 1.00 0.00 O ATOM 0 H GLU A 48 0.121 -8.046 5.435 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.794 -8.939 8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.185 -7.628 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.501 -6.448 6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.740 -5.727 9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.823 -5.453 8.579 1.00 0.00 H new ATOM 708 N LEU A 49 -2.541 -6.791 6.260 1.00 0.00 N ATOM 709 CA LEU A 49 -3.832 -6.120 6.165 1.00 0.00 C ATOM 710 C LEU A 49 -4.871 -7.028 5.514 1.00 0.00 C ATOM 711 O LEU A 49 -6.056 -6.699 5.469 1.00 0.00 O ATOM 712 CB LEU A 49 -3.698 -4.824 5.364 1.00 0.00 C ATOM 713 CG LEU A 49 -2.951 -3.682 6.055 1.00 0.00 C ATOM 714 CD1 LEU A 49 -2.762 -2.513 5.100 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.697 -3.237 7.305 1.00 0.00 C ATOM 0 H LEU A 49 -1.960 -6.708 5.426 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.165 -5.883 7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.189 -5.050 4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.698 -4.474 5.107 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.967 -4.044 6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.229 -1.710 5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.186 -2.840 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.736 -2.150 4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.152 -2.424 7.784 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.694 -2.893 7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.780 -4.075 7.997 1.00 0.00 H new ATOM 727 N ASN A 50 -4.418 -8.172 5.012 1.00 0.00 N ATOM 728 CA ASN A 50 -5.309 -9.129 4.365 1.00 0.00 C ATOM 729 C ASN A 50 -5.956 -8.518 3.126 1.00 0.00 C ATOM 730 O ASN A 50 -7.158 -8.663 2.905 1.00 0.00 O ATOM 731 CB ASN A 50 -6.390 -9.592 5.343 1.00 0.00 C ATOM 732 CG ASN A 50 -5.807 -10.204 6.602 1.00 0.00 C ATOM 733 OD1 ASN A 50 -5.489 -9.360 7.577 1.00 0.00 O flip ATOM 734 ND2 ASN A 50 -5.645 -11.421 6.698 1.00 0.00 N flip ATOM 0 H ASN A 50 -3.440 -8.459 5.041 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.715 -9.989 4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.020 -8.744 5.612 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.032 -10.322 4.851 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.903 -12.033 5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.252 -11.817 7.552 1.00 0.00 H new ATOM 741 N VAL A 51 -5.150 -7.833 2.321 1.00 0.00 N ATOM 742 CA VAL A 51 -5.643 -7.201 1.103 1.00 0.00 C ATOM 743 C VAL A 51 -4.803 -7.604 -0.104 1.00 0.00 C ATOM 744 O VAL A 51 -3.587 -7.763 -0.002 1.00 0.00 O ATOM 745 CB VAL A 51 -5.640 -5.666 1.226 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.613 -5.215 2.306 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.236 -5.158 1.516 1.00 0.00 C ATOM 0 H VAL A 51 -4.153 -7.702 2.490 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.668 -7.545 0.961 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.966 -5.242 0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.597 -4.128 2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.619 -5.547 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.320 -5.647 3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.252 -4.071 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.879 -5.589 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.569 -5.449 0.705 1.00 0.00 H new ATOM 757 N ASP A 52 -5.461 -7.767 -1.247 1.00 0.00 N ATOM 758 CA ASP A 52 -4.775 -8.151 -2.476 1.00 0.00 C ATOM 759 C ASP A 52 -3.491 -7.346 -2.655 1.00 0.00 C ATOM 760 O ASP A 52 -3.508 -6.115 -2.621 1.00 0.00 O ATOM 761 CB ASP A 52 -5.692 -7.946 -3.682 1.00 0.00 C ATOM 762 CG ASP A 52 -5.365 -8.888 -4.825 1.00 0.00 C ATOM 763 OD1 ASP A 52 -5.304 -10.112 -4.585 1.00 0.00 O ATOM 764 OD2 ASP A 52 -5.168 -8.401 -5.958 1.00 0.00 O ATOM 0 H ASP A 52 -6.468 -7.639 -1.348 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.514 -9.207 -2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.728 -8.095 -3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.607 -6.916 -4.028 1.00 0.00 H new ATOM 769 N CYS A 53 -2.380 -8.049 -2.845 1.00 0.00 N ATOM 770 CA CYS A 53 -1.087 -7.400 -3.028 1.00 0.00 C ATOM 771 C CYS A 53 -1.192 -6.246 -4.020 1.00 0.00 C ATOM 772 O CYS A 53 -0.595 -5.189 -3.823 1.00 0.00 O ATOM 773 CB CYS A 53 -0.049 -8.413 -3.514 1.00 0.00 C ATOM 774 SG CYS A 53 -0.574 -9.376 -4.951 1.00 0.00 S ATOM 0 H CYS A 53 -2.349 -9.068 -2.876 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.771 -6.999 -2.065 1.00 0.00 H new ATOM 0 HB2 CYS A 53 0.871 -7.884 -3.761 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.186 -9.097 -2.698 1.00 0.00 H new ATOM 0 HG CYS A 53 0.371 -10.203 -5.288 1.00 0.00 H new ATOM 780 N GLU A 54 -1.956 -6.459 -5.088 1.00 0.00 N ATOM 781 CA GLU A 54 -2.137 -5.437 -6.112 1.00 0.00 C ATOM 782 C GLU A 54 -2.665 -4.142 -5.501 1.00 0.00 C ATOM 783 O GLU A 54 -2.213 -3.050 -5.847 1.00 0.00 O ATOM 784 CB GLU A 54 -3.099 -5.932 -7.194 1.00 0.00 C ATOM 785 CG GLU A 54 -2.553 -7.094 -8.007 1.00 0.00 C ATOM 786 CD GLU A 54 -3.536 -7.588 -9.051 1.00 0.00 C ATOM 787 OE1 GLU A 54 -4.125 -6.743 -9.757 1.00 0.00 O ATOM 788 OE2 GLU A 54 -3.717 -8.818 -9.161 1.00 0.00 O ATOM 0 H GLU A 54 -2.458 -7.329 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.166 -5.236 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.035 -6.235 -6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.332 -5.107 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.630 -6.787 -8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.299 -7.914 -7.336 1.00 0.00 H new ATOM 795 N ILE A 55 -3.625 -4.272 -4.591 1.00 0.00 N ATOM 796 CA ILE A 55 -4.214 -3.114 -3.931 1.00 0.00 C ATOM 797 C ILE A 55 -3.137 -2.217 -3.329 1.00 0.00 C ATOM 798 O ILE A 55 -3.213 -0.992 -3.419 1.00 0.00 O ATOM 799 CB ILE A 55 -5.194 -3.536 -2.821 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.340 -4.362 -3.409 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.734 -2.312 -2.097 1.00 0.00 C ATOM 802 CD1 ILE A 55 -6.973 -5.311 -2.415 1.00 0.00 C ATOM 0 H ILE A 55 -4.011 -5.168 -4.294 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.760 -2.560 -4.695 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.658 -4.154 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.105 -3.686 -3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.966 -4.934 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.425 -2.627 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.908 -1.760 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.257 -1.671 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.777 -5.863 -2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.221 -6.011 -2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.377 -4.743 -1.577 1.00 0.00 H new ATOM 814 N VAL A 56 -2.133 -2.837 -2.717 1.00 0.00 N ATOM 815 CA VAL A 56 -1.038 -2.095 -2.102 1.00 0.00 C ATOM 816 C VAL A 56 -0.132 -1.476 -3.160 1.00 0.00 C ATOM 817 O VAL A 56 0.078 -0.263 -3.179 1.00 0.00 O ATOM 818 CB VAL A 56 -0.194 -2.999 -1.184 1.00 0.00 C ATOM 819 CG1 VAL A 56 1.034 -2.254 -0.685 1.00 0.00 C ATOM 820 CG2 VAL A 56 -1.031 -3.505 -0.019 1.00 0.00 C ATOM 0 H VAL A 56 -2.055 -3.851 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.488 -1.302 -1.505 1.00 0.00 H new ATOM 0 HB VAL A 56 0.142 -3.861 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.618 -2.908 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.643 -1.946 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.722 -1.373 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.419 -4.142 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.399 -2.658 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.876 -4.078 -0.400 1.00 0.00 H new ATOM 830 N ARG A 57 0.402 -2.317 -4.040 1.00 0.00 N ATOM 831 CA ARG A 57 1.286 -1.852 -5.101 1.00 0.00 C ATOM 832 C ARG A 57 0.683 -0.651 -5.825 1.00 0.00 C ATOM 833 O ARG A 57 1.386 0.302 -6.162 1.00 0.00 O ATOM 834 CB ARG A 57 1.557 -2.979 -6.099 1.00 0.00 C ATOM 835 CG ARG A 57 2.761 -3.834 -5.740 1.00 0.00 C ATOM 836 CD ARG A 57 3.075 -4.842 -6.835 1.00 0.00 C ATOM 837 NE ARG A 57 3.460 -4.190 -8.084 1.00 0.00 N ATOM 838 CZ ARG A 57 4.623 -3.574 -8.265 1.00 0.00 C ATOM 839 NH1 ARG A 57 5.511 -3.527 -7.281 1.00 0.00 N ATOM 840 NH2 ARG A 57 4.900 -3.005 -9.430 1.00 0.00 N ATOM 0 H ARG A 57 0.238 -3.324 -4.039 1.00 0.00 H new ATOM 0 HA ARG A 57 2.227 -1.545 -4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.675 -3.617 -6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.710 -2.548 -7.088 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.627 -3.193 -5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.570 -4.359 -4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.881 -5.497 -6.505 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.203 -5.472 -7.009 1.00 0.00 H new ATOM 0 HE ARG A 57 2.799 -4.209 -8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.301 -3.964 -6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.403 -3.054 -7.422 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.220 -3.040 -10.189 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.793 -2.532 -9.567 1.00 0.00 H new ATOM 854 N THR A 58 -0.624 -0.705 -6.062 1.00 0.00 N ATOM 855 CA THR A 58 -1.321 0.376 -6.747 1.00 0.00 C ATOM 856 C THR A 58 -1.435 1.608 -5.856 1.00 0.00 C ATOM 857 O THR A 58 -1.315 2.739 -6.327 1.00 0.00 O ATOM 858 CB THR A 58 -2.732 -0.057 -7.188 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.645 -1.153 -8.104 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.473 1.100 -7.842 1.00 0.00 C ATOM 0 H THR A 58 -1.221 -1.486 -5.790 1.00 0.00 H new ATOM 0 HA THR A 58 -0.732 0.623 -7.630 1.00 0.00 H new ATOM 0 HB THR A 58 -3.286 -0.368 -6.302 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.490 -1.983 -7.607 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.467 0.771 -8.145 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.564 1.922 -7.132 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.920 1.438 -8.718 1.00 0.00 H new ATOM 868 N TRP A 59 -1.667 1.382 -4.568 1.00 0.00 N ATOM 869 CA TRP A 59 -1.796 2.475 -3.612 1.00 0.00 C ATOM 870 C TRP A 59 -0.495 3.264 -3.508 1.00 0.00 C ATOM 871 O TRP A 59 -0.503 4.495 -3.520 1.00 0.00 O ATOM 872 CB TRP A 59 -2.189 1.933 -2.236 1.00 0.00 C ATOM 873 CG TRP A 59 -2.113 2.961 -1.148 1.00 0.00 C ATOM 874 CD1 TRP A 59 -3.121 3.775 -0.717 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.966 3.286 -0.356 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.670 4.586 0.296 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.351 4.305 0.537 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.349 2.814 -0.312 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.469 4.860 1.460 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.224 3.366 0.605 1.00 0.00 C ATOM 881 CH2 TRP A 59 0.812 4.379 1.481 1.00 0.00 C ATOM 0 H TRP A 59 -1.770 0.452 -4.162 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.578 3.145 -3.968 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.205 1.541 -2.285 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.536 1.098 -1.983 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.125 3.780 -1.114 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.227 5.284 0.789 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.675 2.032 -0.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.784 5.642 2.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.243 3.010 0.647 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.520 4.788 2.187 1.00 0.00 H new ATOM 892 N ILE A 60 0.619 2.548 -3.406 1.00 0.00 N ATOM 893 CA ILE A 60 1.927 3.183 -3.301 1.00 0.00 C ATOM 894 C ILE A 60 2.090 4.282 -4.345 1.00 0.00 C ATOM 895 O ILE A 60 2.208 5.460 -4.009 1.00 0.00 O ATOM 896 CB ILE A 60 3.065 2.159 -3.470 1.00 0.00 C ATOM 897 CG1 ILE A 60 3.014 1.118 -2.350 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.414 2.863 -3.484 1.00 0.00 C ATOM 899 CD1 ILE A 60 3.974 -0.033 -2.550 1.00 0.00 C ATOM 0 H ILE A 60 0.642 1.528 -3.394 1.00 0.00 H new ATOM 0 HA ILE A 60 1.986 3.620 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 60 2.934 1.647 -4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.237 1.606 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.000 0.726 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.208 2.126 -3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.447 3.570 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.555 3.398 -2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.883 -0.731 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.738 -0.546 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.994 0.348 -2.594 1.00 0.00 H new ATOM 911 N GLY A 61 2.093 3.890 -5.616 1.00 0.00 N ATOM 912 CA GLY A 61 2.239 4.854 -6.690 1.00 0.00 C ATOM 913 C GLY A 61 1.194 5.950 -6.632 1.00 0.00 C ATOM 914 O GLY A 61 1.467 7.096 -6.987 1.00 0.00 O ATOM 0 H GLY A 61 1.997 2.921 -5.920 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.232 5.300 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.168 4.339 -7.648 1.00 0.00 H new ATOM 918 N ASN A 62 -0.007 5.598 -6.184 1.00 0.00 N ATOM 919 CA ASN A 62 -1.097 6.561 -6.082 1.00 0.00 C ATOM 920 C ASN A 62 -0.706 7.735 -5.190 1.00 0.00 C ATOM 921 O ASN A 62 -0.818 8.894 -5.588 1.00 0.00 O ATOM 922 CB ASN A 62 -2.353 5.884 -5.530 1.00 0.00 C ATOM 923 CG ASN A 62 -3.629 6.522 -6.046 1.00 0.00 C ATOM 924 OD1 ASN A 62 -3.811 7.736 -5.952 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.519 5.704 -6.595 1.00 0.00 N ATOM 0 H ASN A 62 -0.250 4.653 -5.886 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.306 6.942 -7.082 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.342 4.828 -5.802 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.340 5.933 -4.441 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.396 6.075 -6.960 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.326 4.704 -6.652 1.00 0.00 H new ATOM 932 N ARG A 63 -0.245 7.426 -3.983 1.00 0.00 N ATOM 933 CA ARG A 63 0.164 8.455 -3.034 1.00 0.00 C ATOM 934 C ARG A 63 1.275 9.322 -3.618 1.00 0.00 C ATOM 935 O ARG A 63 1.258 10.545 -3.481 1.00 0.00 O ATOM 936 CB ARG A 63 0.634 7.815 -1.726 1.00 0.00 C ATOM 937 CG ARG A 63 1.069 8.825 -0.677 1.00 0.00 C ATOM 938 CD ARG A 63 -0.097 9.254 0.200 1.00 0.00 C ATOM 939 NE ARG A 63 -0.242 8.398 1.375 1.00 0.00 N ATOM 940 CZ ARG A 63 -1.023 8.694 2.408 1.00 0.00 C ATOM 941 NH1 ARG A 63 -1.725 9.818 2.412 1.00 0.00 N ATOM 942 NH2 ARG A 63 -1.102 7.864 3.440 1.00 0.00 N ATOM 0 H ARG A 63 -0.145 6.471 -3.639 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.698 9.090 -2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.173 7.205 -1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.465 7.143 -1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.853 8.391 -0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.498 9.699 -1.167 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.050 10.286 0.519 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.018 9.229 -0.383 1.00 0.00 H new ATOM 0 HE ARG A 63 0.285 7.525 1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.667 10.459 1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.324 10.042 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.563 6.998 3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.702 8.092 4.233 1.00 0.00 H new ATOM 956 N ARG A 64 2.241 8.679 -4.267 1.00 0.00 N ATOM 957 CA ARG A 64 3.361 9.391 -4.869 1.00 0.00 C ATOM 958 C ARG A 64 2.890 10.678 -5.541 1.00 0.00 C ATOM 959 O ARG A 64 3.428 11.755 -5.288 1.00 0.00 O ATOM 960 CB ARG A 64 4.070 8.500 -5.891 1.00 0.00 C ATOM 961 CG ARG A 64 4.603 7.204 -5.302 1.00 0.00 C ATOM 962 CD ARG A 64 5.586 6.527 -6.244 1.00 0.00 C ATOM 963 NE ARG A 64 5.011 6.305 -7.568 1.00 0.00 N ATOM 964 CZ ARG A 64 5.645 5.672 -8.548 1.00 0.00 C ATOM 965 NH1 ARG A 64 6.869 5.200 -8.354 1.00 0.00 N ATOM 966 NH2 ARG A 64 5.055 5.509 -9.726 1.00 0.00 N ATOM 0 H ARG A 64 2.270 7.667 -4.389 1.00 0.00 H new ATOM 0 HA ARG A 64 4.062 9.651 -4.075 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.376 8.264 -6.698 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.897 9.056 -6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.092 7.410 -4.350 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.773 6.529 -5.094 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.482 7.141 -6.336 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.897 5.573 -5.819 1.00 0.00 H new ATOM 0 HE ARG A 64 4.071 6.656 -7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.326 5.323 -7.450 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.354 4.714 -9.109 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.113 5.870 -9.879 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.543 5.023 -10.478 1.00 0.00 H new