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 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=-0.036) USER MOD Single : A 31 MET CE :methyl 139:sc= -2.14 (180deg=-6.28!) USER MOD Single : A 32 THR OG1 : rot 63:sc= 0.435 USER MOD Single : A 33 SER OG : rot 170:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 50:sc= -2.15 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.202 USER MOD Single : A 58 THR OG1 : rot 82:sc= 1.17 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 179 N PHE A 15 -9.020 3.485 2.465 1.00 0.00 N ATOM 180 CA PHE A 15 -8.258 3.015 3.616 1.00 0.00 C ATOM 181 C PHE A 15 -8.477 3.925 4.821 1.00 0.00 C ATOM 182 O PHE A 15 -8.345 5.145 4.724 1.00 0.00 O ATOM 183 CB PHE A 15 -6.767 2.951 3.275 1.00 0.00 C ATOM 184 CG PHE A 15 -6.356 1.660 2.626 1.00 0.00 C ATOM 185 CD1 PHE A 15 -6.556 0.450 3.272 1.00 0.00 C ATOM 186 CD2 PHE A 15 -5.771 1.657 1.370 1.00 0.00 C ATOM 187 CE1 PHE A 15 -6.178 -0.738 2.677 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.391 0.471 0.770 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.596 -0.728 1.424 1.00 0.00 C ATOM 0 HA PHE A 15 -8.609 2.015 3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.519 3.778 2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.187 3.091 4.187 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.012 0.436 4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.610 2.592 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.337 -1.674 3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.934 0.482 -0.209 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.302 -1.656 0.957 1.00 0.00 H new ATOM 199 N SER A 16 -8.812 3.322 5.957 1.00 0.00 N ATOM 200 CA SER A 16 -9.054 4.076 7.181 1.00 0.00 C ATOM 201 C SER A 16 -7.754 4.302 7.946 1.00 0.00 C ATOM 202 O SER A 16 -6.780 3.571 7.766 1.00 0.00 O ATOM 203 CB SER A 16 -10.060 3.341 8.069 1.00 0.00 C ATOM 204 OG SER A 16 -10.616 4.211 9.039 1.00 0.00 O ATOM 0 H SER A 16 -8.922 2.313 6.055 1.00 0.00 H new ATOM 0 HA SER A 16 -9.466 5.046 6.904 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.856 2.923 7.453 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.568 2.505 8.566 1.00 0.00 H new ATOM 0 HG SER A 16 -11.257 3.717 9.592 1.00 0.00 H new ATOM 210 N ASP A 17 -7.746 5.319 8.801 1.00 0.00 N ATOM 211 CA ASP A 17 -6.566 5.642 9.595 1.00 0.00 C ATOM 212 C ASP A 17 -5.918 4.375 10.144 1.00 0.00 C ATOM 213 O ASP A 17 -4.694 4.247 10.155 1.00 0.00 O ATOM 214 CB ASP A 17 -6.940 6.578 10.745 1.00 0.00 C ATOM 215 CG ASP A 17 -6.036 6.406 11.949 1.00 0.00 C ATOM 216 OD1 ASP A 17 -6.099 5.336 12.590 1.00 0.00 O ATOM 217 OD2 ASP A 17 -5.265 7.342 12.251 1.00 0.00 O ATOM 0 H ASP A 17 -8.544 5.934 8.962 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.848 6.144 8.947 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.888 7.611 10.400 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.973 6.392 11.040 1.00 0.00 H new ATOM 222 N ARG A 18 -6.747 3.442 10.601 1.00 0.00 N ATOM 223 CA ARG A 18 -6.255 2.187 11.154 1.00 0.00 C ATOM 224 C ARG A 18 -5.454 1.410 10.112 1.00 0.00 C ATOM 225 O ARG A 18 -4.281 1.101 10.320 1.00 0.00 O ATOM 226 CB ARG A 18 -7.421 1.334 11.656 1.00 0.00 C ATOM 227 CG ARG A 18 -8.042 1.849 12.944 1.00 0.00 C ATOM 228 CD ARG A 18 -7.103 1.669 14.127 1.00 0.00 C ATOM 229 NE ARG A 18 -7.768 1.933 15.399 1.00 0.00 N ATOM 230 CZ ARG A 18 -7.268 1.580 16.578 1.00 0.00 C ATOM 231 NH1 ARG A 18 -6.102 0.951 16.645 1.00 0.00 N ATOM 232 NH2 ARG A 18 -7.933 1.855 17.693 1.00 0.00 N ATOM 0 H ARG A 18 -7.763 3.532 10.599 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.598 2.421 11.992 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.189 1.293 10.884 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.072 0.313 11.813 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.290 2.904 12.833 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.976 1.320 13.136 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.711 0.652 14.127 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.250 2.339 14.018 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.667 2.415 15.382 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.588 0.738 15.790 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.720 0.681 17.551 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.830 2.338 17.646 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.547 1.583 18.597 1.00 0.00 H new ATOM 246 N ASP A 19 -6.097 1.099 8.992 1.00 0.00 N ATOM 247 CA ASP A 19 -5.445 0.359 7.918 1.00 0.00 C ATOM 248 C ASP A 19 -4.198 1.091 7.433 1.00 0.00 C ATOM 249 O ASP A 19 -3.111 0.514 7.370 1.00 0.00 O ATOM 250 CB ASP A 19 -6.414 0.150 6.753 1.00 0.00 C ATOM 251 CG ASP A 19 -7.521 -0.830 7.089 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.288 -2.052 6.970 1.00 0.00 O ATOM 253 OD2 ASP A 19 -8.619 -0.376 7.471 1.00 0.00 O ATOM 0 H ASP A 19 -7.068 1.348 8.804 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.145 -0.613 8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.853 1.108 6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.862 -0.213 5.886 1.00 0.00 H new ATOM 258 N LEU A 20 -4.361 2.364 7.090 1.00 0.00 N ATOM 259 CA LEU A 20 -3.248 3.176 6.609 1.00 0.00 C ATOM 260 C LEU A 20 -2.020 2.994 7.495 1.00 0.00 C ATOM 261 O LEU A 20 -0.926 2.715 7.005 1.00 0.00 O ATOM 262 CB LEU A 20 -3.648 4.652 6.569 1.00 0.00 C ATOM 263 CG LEU A 20 -4.466 5.092 5.354 1.00 0.00 C ATOM 264 CD1 LEU A 20 -4.866 6.554 5.482 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.681 4.863 4.071 1.00 0.00 C ATOM 0 H LEU A 20 -5.253 2.856 7.136 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.998 2.846 5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.221 4.877 7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.741 5.255 6.609 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.374 4.490 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.447 6.850 4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.467 6.689 6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.970 7.172 5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.279 5.182 3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.756 5.439 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.445 3.803 3.973 1.00 0.00 H new ATOM 277 N ALA A 21 -2.209 3.152 8.801 1.00 0.00 N ATOM 278 CA ALA A 21 -1.117 3.002 9.755 1.00 0.00 C ATOM 279 C ALA A 21 -0.143 1.918 9.307 1.00 0.00 C ATOM 280 O ALA A 21 1.067 2.141 9.247 1.00 0.00 O ATOM 281 CB ALA A 21 -1.665 2.683 11.138 1.00 0.00 C ATOM 0 H ALA A 21 -3.108 3.384 9.223 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.574 3.946 9.800 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.839 2.574 11.840 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.316 3.493 11.467 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.233 1.754 11.099 1.00 0.00 H new ATOM 287 N THR A 22 -0.677 0.741 8.993 1.00 0.00 N ATOM 288 CA THR A 22 0.146 -0.379 8.553 1.00 0.00 C ATOM 289 C THR A 22 1.002 0.007 7.352 1.00 0.00 C ATOM 290 O THR A 22 2.228 -0.106 7.389 1.00 0.00 O ATOM 291 CB THR A 22 -0.718 -1.599 8.182 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.575 -1.943 9.277 1.00 0.00 O ATOM 293 CG2 THR A 22 0.156 -2.791 7.821 1.00 0.00 C ATOM 0 H THR A 22 -1.676 0.539 9.035 1.00 0.00 H new ATOM 0 HA THR A 22 0.794 -0.643 9.389 1.00 0.00 H new ATOM 0 HB THR A 22 -1.324 -1.338 7.315 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.750 -2.907 9.265 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.476 -3.641 7.563 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.786 -2.535 6.969 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.785 -3.052 8.672 1.00 0.00 H new ATOM 301 N LEU A 23 0.350 0.464 6.289 1.00 0.00 N ATOM 302 CA LEU A 23 1.053 0.868 5.076 1.00 0.00 C ATOM 303 C LEU A 23 2.068 1.966 5.374 1.00 0.00 C ATOM 304 O LEU A 23 3.272 1.780 5.197 1.00 0.00 O ATOM 305 CB LEU A 23 0.055 1.352 4.022 1.00 0.00 C ATOM 306 CG LEU A 23 -0.636 0.263 3.201 1.00 0.00 C ATOM 307 CD1 LEU A 23 -1.793 0.847 2.405 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.361 -0.418 2.274 1.00 0.00 C ATOM 0 H LEU A 23 -0.664 0.564 6.242 1.00 0.00 H new ATOM 0 HA LEU A 23 1.588 0.000 4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.712 1.944 4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.577 2.020 3.336 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.035 -0.484 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.272 0.057 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.519 1.288 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.418 1.615 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.148 -1.190 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.789 0.320 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.157 -0.871 2.865 1.00 0.00 H new ATOM 320 N LYS A 24 1.574 3.113 5.831 1.00 0.00 N ATOM 321 CA LYS A 24 2.437 4.241 6.158 1.00 0.00 C ATOM 322 C LYS A 24 3.680 3.776 6.909 1.00 0.00 C ATOM 323 O LYS A 24 4.757 4.357 6.770 1.00 0.00 O ATOM 324 CB LYS A 24 1.674 5.266 7.001 1.00 0.00 C ATOM 325 CG LYS A 24 2.149 6.694 6.799 1.00 0.00 C ATOM 326 CD LYS A 24 1.781 7.576 7.980 1.00 0.00 C ATOM 327 CE LYS A 24 2.773 7.421 9.122 1.00 0.00 C ATOM 328 NZ LYS A 24 2.660 8.529 10.110 1.00 0.00 N ATOM 0 H LYS A 24 0.580 3.285 5.983 1.00 0.00 H new ATOM 0 HA LYS A 24 2.751 4.708 5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.613 5.207 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.774 5.004 8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.230 6.703 6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.707 7.100 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.751 8.618 7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.780 7.320 8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.603 6.468 9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.786 7.394 8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.353 8.386 10.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.847 9.436 9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.701 8.540 10.512 1.00 0.00 H new ATOM 342 N LYS A 25 3.526 2.722 7.704 1.00 0.00 N ATOM 343 CA LYS A 25 4.637 2.176 8.475 1.00 0.00 C ATOM 344 C LYS A 25 5.811 1.827 7.566 1.00 0.00 C ATOM 345 O LYS A 25 6.927 2.304 7.767 1.00 0.00 O ATOM 346 CB LYS A 25 4.187 0.932 9.245 1.00 0.00 C ATOM 347 CG LYS A 25 5.152 0.512 10.340 1.00 0.00 C ATOM 348 CD LYS A 25 4.532 -0.523 11.264 1.00 0.00 C ATOM 349 CE LYS A 25 5.588 -1.226 12.101 1.00 0.00 C ATOM 350 NZ LYS A 25 4.986 -1.970 13.243 1.00 0.00 N ATOM 0 H LYS A 25 2.642 2.229 7.831 1.00 0.00 H new ATOM 0 HA LYS A 25 4.963 2.937 9.184 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.209 1.123 9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.064 0.106 8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.058 0.104 9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.449 1.386 10.919 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.809 -0.039 11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.985 -1.258 10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.149 -1.918 11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.299 -0.492 12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.739 -2.436 13.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.472 -1.307 13.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.327 -2.688 12.881 1.00 0.00 H new ATOM 364 N TYR A 26 5.550 0.993 6.565 1.00 0.00 N ATOM 365 CA TYR A 26 6.586 0.580 5.626 1.00 0.00 C ATOM 366 C TYR A 26 7.121 1.776 4.844 1.00 0.00 C ATOM 367 O TYR A 26 8.300 1.826 4.495 1.00 0.00 O ATOM 368 CB TYR A 26 6.037 -0.471 4.659 1.00 0.00 C ATOM 369 CG TYR A 26 6.057 -1.876 5.217 1.00 0.00 C ATOM 370 CD1 TYR A 26 7.252 -2.569 5.363 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.881 -2.511 5.597 1.00 0.00 C ATOM 372 CE1 TYR A 26 7.276 -3.853 5.872 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.895 -3.794 6.109 1.00 0.00 C ATOM 374 CZ TYR A 26 6.095 -4.461 6.244 1.00 0.00 C ATOM 375 OH TYR A 26 6.113 -5.740 6.751 1.00 0.00 O ATOM 0 H TYR A 26 4.631 0.590 6.383 1.00 0.00 H new ATOM 0 HA TYR A 26 7.407 0.146 6.197 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.013 -0.209 4.394 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.621 -0.446 3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.179 -2.096 5.073 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.940 -1.993 5.490 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.214 -4.378 5.978 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.972 -4.272 6.402 1.00 0.00 H new ATOM 0 HH TYR A 26 5.198 -6.020 6.964 1.00 0.00 H new ATOM 385 N TRP A 27 6.245 2.737 4.573 1.00 0.00 N ATOM 386 CA TRP A 27 6.628 3.934 3.833 1.00 0.00 C ATOM 387 C TRP A 27 7.808 4.632 4.501 1.00 0.00 C ATOM 388 O TRP A 27 8.606 5.294 3.837 1.00 0.00 O ATOM 389 CB TRP A 27 5.443 4.895 3.729 1.00 0.00 C ATOM 390 CG TRP A 27 5.780 6.179 3.033 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.594 7.173 3.496 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.308 6.609 1.751 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.658 8.194 2.578 1.00 0.00 N ATOM 394 CE2 TRP A 27 5.878 7.872 1.499 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.461 6.048 0.791 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.627 8.582 0.328 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.212 6.754 -0.371 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.794 8.009 -0.595 1.00 0.00 C ATOM 0 H TRP A 27 5.265 2.711 4.855 1.00 0.00 H new ATOM 0 HA TRP A 27 6.929 3.631 2.830 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.631 4.403 3.195 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.076 5.118 4.731 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.111 7.159 4.444 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.199 9.052 2.683 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.009 5.081 0.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.073 9.550 0.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.558 6.331 -1.119 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.581 8.535 -1.514 1.00 0.00 H new ATOM 409 N ASP A 28 7.912 4.480 5.817 1.00 0.00 N ATOM 410 CA ASP A 28 8.996 5.096 6.574 1.00 0.00 C ATOM 411 C ASP A 28 10.348 4.546 6.132 1.00 0.00 C ATOM 412 O ASP A 28 11.392 5.120 6.437 1.00 0.00 O ATOM 413 CB ASP A 28 8.799 4.858 8.072 1.00 0.00 C ATOM 414 CG ASP A 28 9.838 5.573 8.913 1.00 0.00 C ATOM 415 OD1 ASP A 28 9.810 6.821 8.956 1.00 0.00 O ATOM 416 OD2 ASP A 28 10.680 4.885 9.528 1.00 0.00 O ATOM 0 H ASP A 28 7.259 3.936 6.381 1.00 0.00 H new ATOM 0 HA ASP A 28 8.979 6.168 6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.805 5.196 8.363 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.844 3.788 8.276 1.00 0.00 H new ATOM 421 N ASN A 29 10.320 3.428 5.413 1.00 0.00 N ATOM 422 CA ASN A 29 11.545 2.799 4.931 1.00 0.00 C ATOM 423 C ASN A 29 11.716 3.020 3.431 1.00 0.00 C ATOM 424 O ASN A 29 12.417 2.267 2.758 1.00 0.00 O ATOM 425 CB ASN A 29 11.527 1.300 5.238 1.00 0.00 C ATOM 426 CG ASN A 29 12.133 0.980 6.591 1.00 0.00 C ATOM 427 OD1 ASN A 29 13.310 1.247 6.836 1.00 0.00 O ATOM 428 ND2 ASN A 29 11.329 0.405 7.478 1.00 0.00 N ATOM 0 H ASN A 29 9.464 2.940 5.152 1.00 0.00 H new ATOM 0 HA ASN A 29 12.388 3.259 5.446 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.499 0.938 5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.075 0.766 4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.680 0.167 8.405 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.360 0.202 7.232 1.00 0.00 H new ATOM 435 N GLY A 30 11.069 4.061 2.915 1.00 0.00 N ATOM 436 CA GLY A 30 11.163 4.363 1.498 1.00 0.00 C ATOM 437 C GLY A 30 10.324 3.429 0.649 1.00 0.00 C ATOM 438 O GLY A 30 10.736 3.031 -0.440 1.00 0.00 O ATOM 0 H GLY A 30 10.482 4.700 3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.843 5.391 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.205 4.297 1.184 1.00 0.00 H new ATOM 442 N MET A 31 9.144 3.076 1.149 1.00 0.00 N ATOM 443 CA MET A 31 8.246 2.181 0.428 1.00 0.00 C ATOM 444 C MET A 31 7.499 2.931 -0.671 1.00 0.00 C ATOM 445 O MET A 31 6.288 2.776 -0.830 1.00 0.00 O ATOM 446 CB MET A 31 7.247 1.541 1.393 1.00 0.00 C ATOM 447 CG MET A 31 6.770 0.167 0.951 1.00 0.00 C ATOM 448 SD MET A 31 5.153 -0.258 1.625 1.00 0.00 S ATOM 449 CE MET A 31 4.152 1.074 0.967 1.00 0.00 C ATOM 0 H MET A 31 8.788 3.396 2.050 1.00 0.00 H new ATOM 0 HA MET A 31 8.847 1.398 -0.034 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.708 1.457 2.377 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.385 2.199 1.500 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.725 0.135 -0.138 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.497 -0.583 1.262 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.192 0.678 0.635 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.987 1.822 1.742 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.667 1.533 0.123 1.00 0.00 H new ATOM 459 N THR A 32 8.230 3.743 -1.429 1.00 0.00 N ATOM 460 CA THR A 32 7.637 4.517 -2.512 1.00 0.00 C ATOM 461 C THR A 32 8.109 4.013 -3.871 1.00 0.00 C ATOM 462 O THR A 32 8.528 4.797 -4.722 1.00 0.00 O ATOM 463 CB THR A 32 7.978 6.014 -2.385 1.00 0.00 C ATOM 464 OG1 THR A 32 9.374 6.221 -2.629 1.00 0.00 O ATOM 465 CG2 THR A 32 7.617 6.536 -1.002 1.00 0.00 C ATOM 0 H THR A 32 9.234 3.881 -1.312 1.00 0.00 H new ATOM 0 HA THR A 32 6.557 4.390 -2.436 1.00 0.00 H new ATOM 0 HB THR A 32 7.395 6.561 -3.126 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.586 5.965 -3.551 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.867 7.595 -0.936 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.549 6.404 -0.831 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.177 5.984 -0.247 1.00 0.00 H new ATOM 473 N SER A 33 8.038 2.701 -4.067 1.00 0.00 N ATOM 474 CA SER A 33 8.462 2.092 -5.322 1.00 0.00 C ATOM 475 C SER A 33 7.685 0.807 -5.592 1.00 0.00 C ATOM 476 O SER A 33 7.112 0.210 -4.679 1.00 0.00 O ATOM 477 CB SER A 33 9.963 1.796 -5.289 1.00 0.00 C ATOM 478 OG SER A 33 10.525 1.866 -6.588 1.00 0.00 O ATOM 0 H SER A 33 7.691 2.039 -3.373 1.00 0.00 H new ATOM 0 HA SER A 33 8.256 2.797 -6.127 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.463 2.509 -4.634 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.132 0.805 -4.869 1.00 0.00 H new ATOM 0 HG SER A 33 11.502 1.834 -6.524 1.00 0.00 H new ATOM 484 N LEU A 34 7.670 0.385 -6.852 1.00 0.00 N ATOM 485 CA LEU A 34 6.964 -0.830 -7.244 1.00 0.00 C ATOM 486 C LEU A 34 7.939 -1.987 -7.441 1.00 0.00 C ATOM 487 O LEU A 34 7.660 -3.119 -7.050 1.00 0.00 O ATOM 488 CB LEU A 34 6.173 -0.590 -8.531 1.00 0.00 C ATOM 489 CG LEU A 34 4.882 0.217 -8.386 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.594 0.997 -9.659 1.00 0.00 C ATOM 491 CD2 LEU A 34 3.717 -0.700 -8.044 1.00 0.00 C ATOM 0 H LEU A 34 8.139 0.866 -7.619 1.00 0.00 H new ATOM 0 HA LEU A 34 6.273 -1.094 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.821 -0.076 -9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.926 -1.558 -8.967 1.00 0.00 H new ATOM 0 HG LEU A 34 5.010 0.929 -7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.672 1.565 -9.537 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.418 1.682 -9.860 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.486 0.304 -10.494 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.806 -0.109 -7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.588 -1.435 -8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.921 -1.213 -7.104 1.00 0.00 H new ATOM 503 N GLY A 35 9.085 -1.692 -8.048 1.00 0.00 N ATOM 504 CA GLY A 35 10.084 -2.718 -8.283 1.00 0.00 C ATOM 505 C GLY A 35 10.335 -3.575 -7.058 1.00 0.00 C ATOM 506 O GLY A 35 9.851 -3.270 -5.969 1.00 0.00 O ATOM 0 H GLY A 35 9.339 -0.762 -8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.760 -3.354 -9.107 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.018 -2.248 -8.591 1.00 0.00 H new ATOM 510 N SER A 36 11.094 -4.651 -7.237 1.00 0.00 N ATOM 511 CA SER A 36 11.404 -5.558 -6.138 1.00 0.00 C ATOM 512 C SER A 36 11.774 -4.780 -4.879 1.00 0.00 C ATOM 513 O SER A 36 11.343 -5.120 -3.777 1.00 0.00 O ATOM 514 CB SER A 36 12.551 -6.493 -6.529 1.00 0.00 C ATOM 515 OG SER A 36 12.087 -7.558 -7.340 1.00 0.00 O ATOM 0 H SER A 36 11.505 -4.916 -8.132 1.00 0.00 H new ATOM 0 HA SER A 36 10.515 -6.153 -5.928 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.316 -5.931 -7.064 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.020 -6.894 -5.630 1.00 0.00 H new ATOM 0 HG SER A 36 12.839 -8.140 -7.578 1.00 0.00 H new ATOM 521 N VAL A 37 12.576 -3.734 -5.051 1.00 0.00 N ATOM 522 CA VAL A 37 13.004 -2.906 -3.930 1.00 0.00 C ATOM 523 C VAL A 37 11.892 -2.764 -2.897 1.00 0.00 C ATOM 524 O VAL A 37 12.147 -2.767 -1.692 1.00 0.00 O ATOM 525 CB VAL A 37 13.435 -1.504 -4.401 1.00 0.00 C ATOM 526 CG1 VAL A 37 12.309 -0.829 -5.170 1.00 0.00 C ATOM 527 CG2 VAL A 37 13.866 -0.654 -3.215 1.00 0.00 C ATOM 0 H VAL A 37 12.942 -3.440 -5.956 1.00 0.00 H new ATOM 0 HA VAL A 37 13.858 -3.406 -3.474 1.00 0.00 H new ATOM 0 HB VAL A 37 14.287 -1.611 -5.072 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.632 0.160 -5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.052 -1.431 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.435 -0.732 -4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.167 0.333 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.034 -0.553 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.706 -1.132 -2.711 1.00 0.00 H new ATOM 537 N CYS A 38 10.659 -2.640 -3.375 1.00 0.00 N ATOM 538 CA CYS A 38 9.507 -2.496 -2.492 1.00 0.00 C ATOM 539 C CYS A 38 8.647 -3.755 -2.512 1.00 0.00 C ATOM 540 O CYS A 38 8.143 -4.191 -1.476 1.00 0.00 O ATOM 541 CB CYS A 38 8.670 -1.285 -2.904 1.00 0.00 C ATOM 542 SG CYS A 38 9.343 0.300 -2.353 1.00 0.00 S ATOM 0 H CYS A 38 10.431 -2.636 -4.369 1.00 0.00 H new ATOM 0 HA CYS A 38 9.875 -2.345 -1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.580 -1.271 -3.990 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.663 -1.399 -2.502 1.00 0.00 H new ATOM 0 HG CYS A 38 10.600 0.373 -2.676 1.00 0.00 H new ATOM 548 N ARG A 39 8.481 -4.334 -3.697 1.00 0.00 N ATOM 549 CA ARG A 39 7.679 -5.541 -3.852 1.00 0.00 C ATOM 550 C ARG A 39 7.860 -6.472 -2.657 1.00 0.00 C ATOM 551 O ARG A 39 6.892 -7.030 -2.141 1.00 0.00 O ATOM 552 CB ARG A 39 8.060 -6.270 -5.142 1.00 0.00 C ATOM 553 CG ARG A 39 6.963 -7.178 -5.675 1.00 0.00 C ATOM 554 CD ARG A 39 6.042 -6.437 -6.631 1.00 0.00 C ATOM 555 NE ARG A 39 6.552 -6.444 -7.999 1.00 0.00 N ATOM 556 CZ ARG A 39 6.365 -7.448 -8.848 1.00 0.00 C ATOM 557 NH1 ARG A 39 5.683 -8.521 -8.471 1.00 0.00 N ATOM 558 NH2 ARG A 39 6.860 -7.381 -10.077 1.00 0.00 N ATOM 0 H ARG A 39 8.892 -3.986 -4.564 1.00 0.00 H new ATOM 0 HA ARG A 39 6.631 -5.246 -3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.313 -5.533 -5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.956 -6.864 -4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.411 -8.030 -6.187 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.382 -7.575 -4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.053 -6.896 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.923 -5.407 -6.294 1.00 0.00 H new ATOM 0 HE ARG A 39 7.081 -5.633 -8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.301 -8.577 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.541 -9.291 -9.125 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.385 -6.558 -10.371 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.715 -8.153 -10.728 1.00 0.00 H new ATOM 572 N GLU A 40 9.106 -6.634 -2.223 1.00 0.00 N ATOM 573 CA GLU A 40 9.414 -7.498 -1.089 1.00 0.00 C ATOM 574 C GLU A 40 8.607 -7.090 0.140 1.00 0.00 C ATOM 575 O GLU A 40 7.933 -7.916 0.757 1.00 0.00 O ATOM 576 CB GLU A 40 10.909 -7.448 -0.772 1.00 0.00 C ATOM 577 CG GLU A 40 11.748 -8.367 -1.643 1.00 0.00 C ATOM 578 CD GLU A 40 13.142 -8.586 -1.088 1.00 0.00 C ATOM 579 OE1 GLU A 40 13.954 -7.637 -1.134 1.00 0.00 O ATOM 580 OE2 GLU A 40 13.422 -9.704 -0.608 1.00 0.00 O ATOM 0 H GLU A 40 9.918 -6.179 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 40 9.142 -8.519 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.263 -6.424 -0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.059 -7.716 0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.245 -9.329 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.822 -7.944 -2.645 1.00 0.00 H new ATOM 587 N LYS A 41 8.681 -5.811 0.491 1.00 0.00 N ATOM 588 CA LYS A 41 7.959 -5.291 1.646 1.00 0.00 C ATOM 589 C LYS A 41 6.452 -5.366 1.424 1.00 0.00 C ATOM 590 O LYS A 41 5.703 -5.758 2.319 1.00 0.00 O ATOM 591 CB LYS A 41 8.373 -3.844 1.923 1.00 0.00 C ATOM 592 CG LYS A 41 9.869 -3.665 2.118 1.00 0.00 C ATOM 593 CD LYS A 41 10.344 -4.314 3.408 1.00 0.00 C ATOM 594 CE LYS A 41 11.851 -4.518 3.406 1.00 0.00 C ATOM 595 NZ LYS A 41 12.314 -5.243 4.622 1.00 0.00 N ATOM 0 H LYS A 41 9.234 -5.115 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 41 8.213 -5.907 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.046 -3.216 1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.854 -3.491 2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.402 -4.100 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.110 -2.602 2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.061 -3.690 4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.846 -5.275 3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.141 -5.078 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.349 -3.550 3.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.346 -5.362 4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.060 -4.696 5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.859 -6.177 4.664 1.00 0.00 H new ATOM 609 N ILE A 42 6.015 -4.990 0.227 1.00 0.00 N ATOM 610 CA ILE A 42 4.598 -5.018 -0.112 1.00 0.00 C ATOM 611 C ILE A 42 3.995 -6.393 0.156 1.00 0.00 C ATOM 612 O ILE A 42 2.886 -6.504 0.677 1.00 0.00 O ATOM 613 CB ILE A 42 4.365 -4.646 -1.588 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.881 -3.234 -1.869 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.887 -4.754 -1.934 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.214 -2.990 -3.324 1.00 0.00 C ATOM 0 H ILE A 42 6.622 -4.662 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 42 4.107 -4.280 0.522 1.00 0.00 H new ATOM 0 HB ILE A 42 4.918 -5.346 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.130 -2.511 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.771 -3.055 -1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.738 -4.488 -2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.548 -5.777 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.315 -4.075 -1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.574 -1.969 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.988 -3.689 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.321 -3.137 -3.931 1.00 0.00 H new ATOM 628 N GLU A 43 4.736 -7.437 -0.202 1.00 0.00 N ATOM 629 CA GLU A 43 4.274 -8.806 0.001 1.00 0.00 C ATOM 630 C GLU A 43 3.890 -9.039 1.459 1.00 0.00 C ATOM 631 O GLU A 43 3.097 -9.928 1.768 1.00 0.00 O ATOM 632 CB GLU A 43 5.359 -9.800 -0.417 1.00 0.00 C ATOM 633 CG GLU A 43 5.640 -9.802 -1.911 1.00 0.00 C ATOM 634 CD GLU A 43 4.664 -10.666 -2.687 1.00 0.00 C ATOM 635 OE1 GLU A 43 4.740 -11.906 -2.560 1.00 0.00 O ATOM 636 OE2 GLU A 43 3.826 -10.103 -3.421 1.00 0.00 O ATOM 0 H GLU A 43 5.657 -7.362 -0.633 1.00 0.00 H new ATOM 0 HA GLU A 43 3.391 -8.961 -0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.280 -9.566 0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.059 -10.802 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.593 -8.780 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.655 -10.160 -2.086 1.00 0.00 H new ATOM 643 N ALA A 44 4.458 -8.235 2.351 1.00 0.00 N ATOM 644 CA ALA A 44 4.174 -8.352 3.776 1.00 0.00 C ATOM 645 C ALA A 44 2.934 -7.551 4.157 1.00 0.00 C ATOM 646 O ALA A 44 1.932 -8.111 4.601 1.00 0.00 O ATOM 647 CB ALA A 44 5.373 -7.893 4.593 1.00 0.00 C ATOM 0 H ALA A 44 5.118 -7.495 2.112 1.00 0.00 H new ATOM 0 HA ALA A 44 3.978 -9.401 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.147 -7.986 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.237 -8.512 4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.596 -6.852 4.359 1.00 0.00 H new ATOM 653 N VAL A 45 3.008 -6.235 3.980 1.00 0.00 N ATOM 654 CA VAL A 45 1.891 -5.356 4.305 1.00 0.00 C ATOM 655 C VAL A 45 0.590 -5.877 3.705 1.00 0.00 C ATOM 656 O VAL A 45 -0.496 -5.582 4.203 1.00 0.00 O ATOM 657 CB VAL A 45 2.140 -3.923 3.800 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.077 -3.873 2.281 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.135 -2.960 4.415 1.00 0.00 C ATOM 0 H VAL A 45 3.830 -5.755 3.613 1.00 0.00 H new ATOM 0 HA VAL A 45 1.805 -5.340 5.392 1.00 0.00 H new ATOM 0 HB VAL A 45 3.139 -3.616 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.255 -2.852 1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.838 -4.532 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.092 -4.199 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.325 -1.952 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.125 -3.262 4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.234 -2.975 5.500 1.00 0.00 H new ATOM 669 N ALA A 46 0.708 -6.652 2.632 1.00 0.00 N ATOM 670 CA ALA A 46 -0.459 -7.216 1.965 1.00 0.00 C ATOM 671 C ALA A 46 -0.993 -8.426 2.722 1.00 0.00 C ATOM 672 O ALA A 46 -2.197 -8.548 2.950 1.00 0.00 O ATOM 673 CB ALA A 46 -0.115 -7.597 0.532 1.00 0.00 C ATOM 0 H ALA A 46 1.600 -6.904 2.206 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.240 -6.456 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.996 -8.017 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.212 -6.711 -0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.686 -8.337 0.534 1.00 0.00 H new ATOM 679 N THR A 47 -0.090 -9.322 3.110 1.00 0.00 N ATOM 680 CA THR A 47 -0.470 -10.524 3.840 1.00 0.00 C ATOM 681 C THR A 47 -0.920 -10.188 5.258 1.00 0.00 C ATOM 682 O THR A 47 -1.648 -10.955 5.886 1.00 0.00 O ATOM 683 CB THR A 47 0.693 -11.532 3.909 1.00 0.00 C ATOM 684 OG1 THR A 47 0.201 -12.822 4.287 1.00 0.00 O ATOM 685 CG2 THR A 47 1.748 -11.074 4.904 1.00 0.00 C ATOM 0 H THR A 47 0.910 -9.237 2.930 1.00 0.00 H new ATOM 0 HA THR A 47 -1.300 -10.974 3.295 1.00 0.00 H new ATOM 0 HB THR A 47 1.151 -11.593 2.922 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.946 -13.457 4.327 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.559 -11.802 4.935 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.142 -10.105 4.597 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.301 -10.987 5.894 1.00 0.00 H new ATOM 693 N GLU A 48 -0.481 -9.035 5.755 1.00 0.00 N ATOM 694 CA GLU A 48 -0.840 -8.598 7.099 1.00 0.00 C ATOM 695 C GLU A 48 -2.265 -8.053 7.132 1.00 0.00 C ATOM 696 O GLU A 48 -3.001 -8.266 8.097 1.00 0.00 O ATOM 697 CB GLU A 48 0.139 -7.529 7.589 1.00 0.00 C ATOM 698 CG GLU A 48 -0.354 -6.767 8.808 1.00 0.00 C ATOM 699 CD GLU A 48 -0.948 -7.678 9.865 1.00 0.00 C ATOM 700 OE1 GLU A 48 -0.301 -8.690 10.207 1.00 0.00 O ATOM 701 OE2 GLU A 48 -2.059 -7.380 10.349 1.00 0.00 O ATOM 0 H GLU A 48 0.123 -8.388 5.248 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.785 -9.462 7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.092 -8.002 7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.327 -6.822 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.475 -6.206 9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.104 -6.039 8.498 1.00 0.00 H new ATOM 708 N LEU A 49 -2.647 -7.350 6.072 1.00 0.00 N ATOM 709 CA LEU A 49 -3.984 -6.773 5.979 1.00 0.00 C ATOM 710 C LEU A 49 -4.942 -7.730 5.277 1.00 0.00 C ATOM 711 O LEU A 49 -6.155 -7.526 5.284 1.00 0.00 O ATOM 712 CB LEU A 49 -3.935 -5.441 5.228 1.00 0.00 C ATOM 713 CG LEU A 49 -3.172 -4.309 5.918 1.00 0.00 C ATOM 714 CD1 LEU A 49 -3.036 -3.113 4.990 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.868 -3.908 7.210 1.00 0.00 C ATOM 0 H LEU A 49 -2.051 -7.166 5.265 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.349 -6.599 6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.483 -5.614 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.958 -5.108 5.052 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.172 -4.667 6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.491 -2.318 5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.493 -3.409 4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.027 -2.753 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.312 -3.102 7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.880 -3.569 6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.912 -4.766 7.881 1.00 0.00 H new ATOM 727 N ASN A 50 -4.388 -8.776 4.673 1.00 0.00 N ATOM 728 CA ASN A 50 -5.194 -9.766 3.967 1.00 0.00 C ATOM 729 C ASN A 50 -5.937 -9.129 2.797 1.00 0.00 C ATOM 730 O ASN A 50 -7.124 -9.381 2.591 1.00 0.00 O ATOM 731 CB ASN A 50 -6.192 -10.418 4.926 1.00 0.00 C ATOM 732 CG ASN A 50 -5.518 -11.338 5.926 1.00 0.00 C ATOM 733 OD1 ASN A 50 -4.873 -12.317 5.549 1.00 0.00 O ATOM 734 ND2 ASN A 50 -5.664 -11.026 7.208 1.00 0.00 N ATOM 0 H ASN A 50 -3.385 -8.960 4.658 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.524 -10.531 3.575 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.737 -9.641 5.462 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.926 -10.985 4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.233 -11.607 7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.207 -10.205 7.474 1.00 0.00 H new ATOM 741 N VAL A 51 -5.229 -8.303 2.033 1.00 0.00 N ATOM 742 CA VAL A 51 -5.821 -7.631 0.882 1.00 0.00 C ATOM 743 C VAL A 51 -5.019 -7.905 -0.386 1.00 0.00 C ATOM 744 O VAL A 51 -3.829 -8.215 -0.325 1.00 0.00 O ATOM 745 CB VAL A 51 -5.907 -6.110 1.104 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.695 -5.798 2.367 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.514 -5.502 1.171 1.00 0.00 C ATOM 0 H VAL A 51 -4.245 -8.083 2.190 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.828 -8.031 0.765 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.432 -5.666 0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.745 -4.718 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.704 -6.199 2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.201 -6.253 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.594 -4.426 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.961 -5.950 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.988 -5.694 0.236 1.00 0.00 H new ATOM 757 N ASP A 52 -5.678 -7.787 -1.533 1.00 0.00 N ATOM 758 CA ASP A 52 -5.027 -8.019 -2.817 1.00 0.00 C ATOM 759 C ASP A 52 -3.765 -7.172 -2.947 1.00 0.00 C ATOM 760 O ASP A 52 -3.826 -5.942 -2.928 1.00 0.00 O ATOM 761 CB ASP A 52 -5.987 -7.705 -3.965 1.00 0.00 C ATOM 762 CG ASP A 52 -6.849 -8.895 -4.340 1.00 0.00 C ATOM 763 OD1 ASP A 52 -7.247 -9.650 -3.429 1.00 0.00 O ATOM 764 OD2 ASP A 52 -7.125 -9.071 -5.546 1.00 0.00 O ATOM 0 H ASP A 52 -6.663 -7.532 -1.600 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.745 -9.071 -2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.628 -6.871 -3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.415 -7.385 -4.836 1.00 0.00 H new ATOM 769 N CYS A 53 -2.623 -7.837 -3.079 1.00 0.00 N ATOM 770 CA CYS A 53 -1.345 -7.146 -3.211 1.00 0.00 C ATOM 771 C CYS A 53 -1.482 -5.916 -4.103 1.00 0.00 C ATOM 772 O CYS A 53 -0.874 -4.878 -3.843 1.00 0.00 O ATOM 773 CB CYS A 53 -0.287 -8.090 -3.782 1.00 0.00 C ATOM 774 SG CYS A 53 -0.746 -8.846 -5.359 1.00 0.00 S ATOM 0 H CYS A 53 -2.556 -8.855 -3.098 1.00 0.00 H new ATOM 0 HA CYS A 53 -1.032 -6.820 -2.219 1.00 0.00 H new ATOM 0 HB2 CYS A 53 0.644 -7.538 -3.913 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.090 -8.879 -3.057 1.00 0.00 H new ATOM 0 HG CYS A 53 0.213 -9.626 -5.762 1.00 0.00 H new ATOM 780 N GLU A 54 -2.284 -6.042 -5.156 1.00 0.00 N ATOM 781 CA GLU A 54 -2.498 -4.941 -6.088 1.00 0.00 C ATOM 782 C GLU A 54 -2.968 -3.689 -5.352 1.00 0.00 C ATOM 783 O GLU A 54 -2.489 -2.585 -5.615 1.00 0.00 O ATOM 784 CB GLU A 54 -3.525 -5.336 -7.152 1.00 0.00 C ATOM 785 CG GLU A 54 -3.338 -4.613 -8.475 1.00 0.00 C ATOM 786 CD GLU A 54 -4.411 -4.964 -9.487 1.00 0.00 C ATOM 787 OE1 GLU A 54 -5.567 -5.190 -9.071 1.00 0.00 O ATOM 788 OE2 GLU A 54 -4.096 -5.013 -10.695 1.00 0.00 O ATOM 0 H GLU A 54 -2.796 -6.894 -5.385 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.548 -4.721 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.464 -6.411 -7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.526 -5.130 -6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.346 -3.537 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.360 -4.863 -8.886 1.00 0.00 H new ATOM 795 N ILE A 55 -3.909 -3.869 -4.431 1.00 0.00 N ATOM 796 CA ILE A 55 -4.443 -2.756 -3.657 1.00 0.00 C ATOM 797 C ILE A 55 -3.322 -1.919 -3.051 1.00 0.00 C ATOM 798 O ILE A 55 -3.378 -0.689 -3.056 1.00 0.00 O ATOM 799 CB ILE A 55 -5.369 -3.247 -2.529 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.559 -4.012 -3.113 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.848 -2.073 -1.688 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.382 -4.736 -2.071 1.00 0.00 C ATOM 0 H ILE A 55 -4.317 -4.776 -4.203 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.020 -2.141 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.806 -3.924 -1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.201 -3.314 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.193 -4.735 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.502 -2.436 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.989 -1.567 -1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.397 -1.374 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.208 -5.256 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.755 -5.459 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.778 -4.016 -1.355 1.00 0.00 H new ATOM 814 N VAL A 56 -2.302 -2.595 -2.531 1.00 0.00 N ATOM 815 CA VAL A 56 -1.165 -1.914 -1.923 1.00 0.00 C ATOM 816 C VAL A 56 -0.232 -1.345 -2.987 1.00 0.00 C ATOM 817 O VAL A 56 -0.096 -0.128 -3.121 1.00 0.00 O ATOM 818 CB VAL A 56 -0.365 -2.863 -1.010 1.00 0.00 C ATOM 819 CG1 VAL A 56 0.899 -2.182 -0.508 1.00 0.00 C ATOM 820 CG2 VAL A 56 -1.226 -3.333 0.153 1.00 0.00 C ATOM 0 H VAL A 56 -2.240 -3.613 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.569 -1.098 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.071 -3.737 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.451 -2.868 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.522 -1.900 -1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.631 -1.290 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.646 -4.002 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.552 -2.472 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.098 -3.862 -0.231 1.00 0.00 H new ATOM 830 N ARG A 57 0.407 -2.232 -3.742 1.00 0.00 N ATOM 831 CA ARG A 57 1.327 -1.818 -4.794 1.00 0.00 C ATOM 832 C ARG A 57 0.781 -0.611 -5.550 1.00 0.00 C ATOM 833 O ARG A 57 1.508 0.343 -5.830 1.00 0.00 O ATOM 834 CB ARG A 57 1.577 -2.972 -5.766 1.00 0.00 C ATOM 835 CG ARG A 57 2.694 -3.906 -5.330 1.00 0.00 C ATOM 836 CD ARG A 57 3.053 -4.896 -6.427 1.00 0.00 C ATOM 837 NE ARG A 57 3.897 -4.291 -7.454 1.00 0.00 N ATOM 838 CZ ARG A 57 3.990 -4.755 -8.695 1.00 0.00 C ATOM 839 NH1 ARG A 57 3.295 -5.823 -9.062 1.00 0.00 N ATOM 840 NH2 ARG A 57 4.780 -4.150 -9.574 1.00 0.00 N ATOM 0 H ARG A 57 0.305 -3.242 -3.645 1.00 0.00 H new ATOM 0 HA ARG A 57 2.270 -1.536 -4.326 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.658 -3.547 -5.878 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.819 -2.563 -6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.575 -3.322 -5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.388 -4.448 -4.435 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.570 -5.750 -5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.140 -5.276 -6.885 1.00 0.00 H new ATOM 0 HE ARG A 57 4.445 -3.467 -7.205 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.686 -6.291 -8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.369 -6.177 -10.016 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.316 -3.328 -9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.851 -4.507 -10.527 1.00 0.00 H new ATOM 854 N THR A 58 -0.506 -0.658 -5.880 1.00 0.00 N ATOM 855 CA THR A 58 -1.150 0.430 -6.605 1.00 0.00 C ATOM 856 C THR A 58 -1.236 1.687 -5.747 1.00 0.00 C ATOM 857 O THR A 58 -1.040 2.799 -6.238 1.00 0.00 O ATOM 858 CB THR A 58 -2.568 0.037 -7.064 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.519 -1.178 -7.819 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.187 1.141 -7.908 1.00 0.00 C ATOM 0 H THR A 58 -1.123 -1.439 -5.656 1.00 0.00 H new ATOM 0 HA THR A 58 -0.535 0.633 -7.482 1.00 0.00 H new ATOM 0 HB THR A 58 -3.186 -0.112 -6.178 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.496 -1.943 -7.207 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.187 0.842 -8.221 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.249 2.057 -7.320 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.569 1.316 -8.788 1.00 0.00 H new ATOM 868 N TRP A 59 -1.529 1.504 -4.465 1.00 0.00 N ATOM 869 CA TRP A 59 -1.640 2.625 -3.539 1.00 0.00 C ATOM 870 C TRP A 59 -0.360 3.453 -3.531 1.00 0.00 C ATOM 871 O TRP A 59 -0.406 4.683 -3.493 1.00 0.00 O ATOM 872 CB TRP A 59 -1.943 2.120 -2.128 1.00 0.00 C ATOM 873 CG TRP A 59 -1.803 3.177 -1.075 1.00 0.00 C ATOM 874 CD1 TRP A 59 -2.747 4.087 -0.696 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.649 3.434 -0.267 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.250 4.895 0.298 1.00 0.00 N ATOM 877 CE2 TRP A 59 -0.965 4.514 0.580 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.620 2.856 -0.176 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.057 5.026 1.504 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.520 3.365 0.741 1.00 0.00 C ATOM 881 CH2 TRP A 59 1.178 4.440 1.571 1.00 0.00 C ATOM 0 H TRP A 59 -1.694 0.590 -4.043 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.460 3.260 -3.874 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.958 1.724 -2.102 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.272 1.293 -1.894 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.739 4.161 -1.116 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.756 5.655 0.752 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.893 2.026 -0.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.318 5.855 2.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.504 2.926 0.819 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.903 4.814 2.278 1.00 0.00 H new ATOM 892 N ILE A 60 0.781 2.772 -3.569 1.00 0.00 N ATOM 893 CA ILE A 60 2.073 3.447 -3.567 1.00 0.00 C ATOM 894 C ILE A 60 2.205 4.383 -4.763 1.00 0.00 C ATOM 895 O ILE A 60 2.308 5.599 -4.605 1.00 0.00 O ATOM 896 CB ILE A 60 3.235 2.437 -3.589 1.00 0.00 C ATOM 897 CG1 ILE A 60 3.163 1.517 -2.368 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.570 3.165 -3.632 1.00 0.00 C ATOM 899 CD1 ILE A 60 4.114 0.343 -2.439 1.00 0.00 C ATOM 0 H ILE A 60 0.837 1.754 -3.602 1.00 0.00 H new ATOM 0 HA ILE A 60 2.125 4.028 -2.646 1.00 0.00 H new ATOM 0 HB ILE A 60 3.148 1.826 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.382 2.098 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.144 1.143 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.381 2.437 -3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.619 3.782 -4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.668 3.799 -2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.008 -0.266 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.881 -0.261 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.138 0.708 -2.511 1.00 0.00 H new ATOM 911 N GLY A 61 2.201 3.808 -5.962 1.00 0.00 N ATOM 912 CA GLY A 61 2.320 4.605 -7.168 1.00 0.00 C ATOM 913 C GLY A 61 1.307 5.731 -7.221 1.00 0.00 C ATOM 914 O GLY A 61 1.630 6.848 -7.625 1.00 0.00 O ATOM 0 H GLY A 61 2.117 2.804 -6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.325 5.022 -7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.190 3.962 -8.039 1.00 0.00 H new ATOM 918 N ASN A 62 0.076 5.437 -6.813 1.00 0.00 N ATOM 919 CA ASN A 62 -0.989 6.434 -6.818 1.00 0.00 C ATOM 920 C ASN A 62 -0.644 7.603 -5.901 1.00 0.00 C ATOM 921 O ASN A 62 -0.627 8.757 -6.329 1.00 0.00 O ATOM 922 CB ASN A 62 -2.311 5.800 -6.380 1.00 0.00 C ATOM 923 CG ASN A 62 -3.513 6.473 -7.013 1.00 0.00 C ATOM 924 OD1 ASN A 62 -3.694 7.684 -6.893 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.341 5.687 -7.691 1.00 0.00 N ATOM 0 H ASN A 62 -0.208 4.518 -6.475 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.094 6.812 -7.835 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.309 4.743 -6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.396 5.857 -5.295 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.168 6.083 -8.139 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.150 4.688 -7.764 1.00 0.00 H new ATOM 932 N ARG A 63 -0.370 7.296 -4.637 1.00 0.00 N ATOM 933 CA ARG A 63 -0.026 8.321 -3.659 1.00 0.00 C ATOM 934 C ARG A 63 1.032 9.270 -4.215 1.00 0.00 C ATOM 935 O ARG A 63 0.781 10.463 -4.387 1.00 0.00 O ATOM 936 CB ARG A 63 0.482 7.675 -2.369 1.00 0.00 C ATOM 937 CG ARG A 63 0.257 8.528 -1.131 1.00 0.00 C ATOM 938 CD ARG A 63 1.142 8.081 0.022 1.00 0.00 C ATOM 939 NE ARG A 63 0.585 8.459 1.318 1.00 0.00 N ATOM 940 CZ ARG A 63 1.169 8.183 2.478 1.00 0.00 C ATOM 941 NH1 ARG A 63 2.323 7.530 2.504 1.00 0.00 N ATOM 942 NH2 ARG A 63 0.600 8.560 3.616 1.00 0.00 N ATOM 0 H ARG A 63 -0.380 6.346 -4.266 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.926 8.895 -3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.015 6.715 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.548 7.471 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.463 9.572 -1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.790 8.468 -0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.269 6.999 -0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.133 8.522 -0.089 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.302 8.963 1.333 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.764 7.239 1.632 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.770 7.319 3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.287 9.063 3.600 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.050 8.347 4.506 1.00 0.00 H new ATOM 956 N ARG A 64 2.215 8.732 -4.494 1.00 0.00 N ATOM 957 CA ARG A 64 3.311 9.531 -5.029 1.00 0.00 C ATOM 958 C ARG A 64 2.785 10.623 -5.955 1.00 0.00 C ATOM 959 O ARG A 64 3.240 11.766 -5.904 1.00 0.00 O ATOM 960 CB ARG A 64 4.299 8.640 -5.783 1.00 0.00 C ATOM 961 CG ARG A 64 4.948 7.576 -4.911 1.00 0.00 C ATOM 962 CD ARG A 64 6.259 7.091 -5.508 1.00 0.00 C ATOM 963 NE ARG A 64 6.110 6.688 -6.904 1.00 0.00 N ATOM 964 CZ ARG A 64 5.706 5.480 -7.281 1.00 0.00 C ATOM 965 NH1 ARG A 64 5.413 4.561 -6.371 1.00 0.00 N ATOM 966 NH2 ARG A 64 5.594 5.189 -8.571 1.00 0.00 N ATOM 0 H ARG A 64 2.439 7.746 -4.358 1.00 0.00 H new ATOM 0 HA ARG A 64 3.825 10.004 -4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.780 8.154 -6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.078 9.265 -6.220 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.128 7.980 -3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.266 6.734 -4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.004 7.883 -5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.633 6.249 -4.926 1.00 0.00 H new ATOM 0 HE ARG A 64 6.328 7.372 -7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.498 4.781 -5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.103 3.634 -6.663 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.818 5.893 -9.274 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.284 4.261 -8.859 1.00 0.00 H new