USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 31 MET CE :methyl 151:sc= -2.55 (180deg=-4.99!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 160:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -60:sc= -1.35 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=0.09) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.185 USER MOD Single : A 58 THR OG1 : rot 78:sc= 0.395 USER MOD Single : A 62 ASN : amide:sc= -3.42 K(o=-3.4,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 179 N PHE A 15 -9.440 3.646 2.440 1.00 0.00 N ATOM 180 CA PHE A 15 -8.749 3.035 3.570 1.00 0.00 C ATOM 181 C PHE A 15 -9.103 3.746 4.872 1.00 0.00 C ATOM 182 O PHE A 15 -9.586 4.878 4.863 1.00 0.00 O ATOM 183 CB PHE A 15 -7.236 3.071 3.350 1.00 0.00 C ATOM 184 CG PHE A 15 -6.720 1.917 2.538 1.00 0.00 C ATOM 185 CD1 PHE A 15 -6.992 0.612 2.914 1.00 0.00 C ATOM 186 CD2 PHE A 15 -5.964 2.138 1.398 1.00 0.00 C ATOM 187 CE1 PHE A 15 -6.518 -0.451 2.169 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.488 1.079 0.648 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.766 -0.217 1.034 1.00 0.00 C ATOM 0 HA PHE A 15 -9.073 1.997 3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.972 4.003 2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.736 3.075 4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.581 0.423 3.799 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.744 3.150 1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.735 -1.464 2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.900 1.265 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.396 -1.047 0.450 1.00 0.00 H new ATOM 199 N SER A 16 -8.858 3.073 5.992 1.00 0.00 N ATOM 200 CA SER A 16 -9.154 3.638 7.304 1.00 0.00 C ATOM 201 C SER A 16 -7.869 3.926 8.074 1.00 0.00 C ATOM 202 O SER A 16 -6.845 3.277 7.859 1.00 0.00 O ATOM 203 CB SER A 16 -10.040 2.683 8.106 1.00 0.00 C ATOM 204 OG SER A 16 -11.356 2.646 7.582 1.00 0.00 O ATOM 0 H SER A 16 -8.455 2.136 6.017 1.00 0.00 H new ATOM 0 HA SER A 16 -9.686 4.578 7.156 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.610 1.682 8.088 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.069 2.999 9.149 1.00 0.00 H new ATOM 0 HG SER A 16 -11.902 2.027 8.111 1.00 0.00 H new ATOM 210 N ASP A 17 -7.931 4.904 8.971 1.00 0.00 N ATOM 211 CA ASP A 17 -6.773 5.279 9.774 1.00 0.00 C ATOM 212 C ASP A 17 -5.946 4.051 10.142 1.00 0.00 C ATOM 213 O ASP A 17 -4.724 4.047 9.995 1.00 0.00 O ATOM 214 CB ASP A 17 -7.221 6.006 11.043 1.00 0.00 C ATOM 215 CG ASP A 17 -8.253 7.081 10.762 1.00 0.00 C ATOM 216 OD1 ASP A 17 -8.225 7.652 9.652 1.00 0.00 O ATOM 217 OD2 ASP A 17 -9.087 7.350 11.651 1.00 0.00 O ATOM 0 H ASP A 17 -8.771 5.451 9.160 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.151 5.949 9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.636 5.283 11.745 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.354 6.457 11.525 1.00 0.00 H new ATOM 222 N ARG A 18 -6.621 3.011 10.622 1.00 0.00 N ATOM 223 CA ARG A 18 -5.949 1.778 11.013 1.00 0.00 C ATOM 224 C ARG A 18 -5.256 1.134 9.816 1.00 0.00 C ATOM 225 O ARG A 18 -4.071 0.804 9.875 1.00 0.00 O ATOM 226 CB ARG A 18 -6.950 0.797 11.624 1.00 0.00 C ATOM 227 CG ARG A 18 -7.132 0.968 13.124 1.00 0.00 C ATOM 228 CD ARG A 18 -5.930 0.444 13.893 1.00 0.00 C ATOM 229 NE ARG A 18 -5.986 -1.003 14.078 1.00 0.00 N ATOM 230 CZ ARG A 18 -6.836 -1.606 14.902 1.00 0.00 C ATOM 231 NH1 ARG A 18 -7.697 -0.891 15.612 1.00 0.00 N ATOM 232 NH2 ARG A 18 -6.827 -2.928 15.015 1.00 0.00 N ATOM 0 H ARG A 18 -7.633 2.998 10.749 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.194 2.027 11.759 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.915 0.922 11.133 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.619 -0.221 11.420 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.282 2.022 13.356 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.030 0.440 13.445 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.016 0.706 13.359 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.882 0.932 14.866 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.337 -1.583 13.546 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.708 0.125 15.527 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.348 -1.357 16.244 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.167 -3.482 14.469 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.480 -3.390 15.648 1.00 0.00 H new ATOM 246 N ASP A 19 -6.002 0.957 8.731 1.00 0.00 N ATOM 247 CA ASP A 19 -5.460 0.353 7.520 1.00 0.00 C ATOM 248 C ASP A 19 -4.233 1.117 7.033 1.00 0.00 C ATOM 249 O ASP A 19 -3.191 0.524 6.750 1.00 0.00 O ATOM 250 CB ASP A 19 -6.524 0.319 6.421 1.00 0.00 C ATOM 251 CG ASP A 19 -7.801 -0.361 6.872 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.709 -1.412 7.541 1.00 0.00 O ATOM 253 OD2 ASP A 19 -8.893 0.157 6.558 1.00 0.00 O ATOM 0 H ASP A 19 -6.984 1.224 8.666 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.160 -0.668 7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.750 1.338 6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.126 -0.202 5.550 1.00 0.00 H new ATOM 258 N LEU A 20 -4.363 2.436 6.938 1.00 0.00 N ATOM 259 CA LEU A 20 -3.264 3.282 6.485 1.00 0.00 C ATOM 260 C LEU A 20 -2.078 3.193 7.440 1.00 0.00 C ATOM 261 O LEU A 20 -0.937 3.019 7.013 1.00 0.00 O ATOM 262 CB LEU A 20 -3.729 4.735 6.366 1.00 0.00 C ATOM 263 CG LEU A 20 -4.586 5.067 5.144 1.00 0.00 C ATOM 264 CD1 LEU A 20 -5.213 6.445 5.291 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.753 4.991 3.873 1.00 0.00 C ATOM 0 H LEU A 20 -5.218 2.942 7.168 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.945 2.927 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.295 4.989 7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.849 5.377 6.353 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.387 4.331 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.819 6.664 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.843 6.465 6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.427 7.194 5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.379 5.230 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.931 5.704 3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.352 3.984 3.761 1.00 0.00 H new ATOM 277 N ALA A 21 -2.357 3.310 8.734 1.00 0.00 N ATOM 278 CA ALA A 21 -1.313 3.238 9.750 1.00 0.00 C ATOM 279 C ALA A 21 -0.274 2.180 9.395 1.00 0.00 C ATOM 280 O ALA A 21 0.930 2.414 9.508 1.00 0.00 O ATOM 281 CB ALA A 21 -1.923 2.945 11.113 1.00 0.00 C ATOM 0 H ALA A 21 -3.296 3.455 9.104 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.810 4.204 9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.133 2.894 11.862 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.622 3.738 11.377 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.452 1.992 11.078 1.00 0.00 H new ATOM 287 N THR A 22 -0.746 1.014 8.965 1.00 0.00 N ATOM 288 CA THR A 22 0.142 -0.081 8.595 1.00 0.00 C ATOM 289 C THR A 22 0.938 0.257 7.339 1.00 0.00 C ATOM 290 O THR A 22 2.168 0.189 7.334 1.00 0.00 O ATOM 291 CB THR A 22 -0.642 -1.385 8.357 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.340 -1.761 9.549 1.00 0.00 O ATOM 293 CG2 THR A 22 0.292 -2.508 7.933 1.00 0.00 C ATOM 0 H THR A 22 -1.739 0.804 8.864 1.00 0.00 H new ATOM 0 HA THR A 22 0.829 -0.226 9.429 1.00 0.00 H new ATOM 0 HB THR A 22 -1.361 -1.211 7.556 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.837 -2.590 9.389 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.284 -3.419 7.771 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.799 -2.230 7.009 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.031 -2.681 8.715 1.00 0.00 H new ATOM 301 N LEU A 23 0.230 0.621 6.276 1.00 0.00 N ATOM 302 CA LEU A 23 0.870 0.971 5.013 1.00 0.00 C ATOM 303 C LEU A 23 1.900 2.078 5.213 1.00 0.00 C ATOM 304 O LEU A 23 3.091 1.886 4.966 1.00 0.00 O ATOM 305 CB LEU A 23 -0.179 1.413 3.991 1.00 0.00 C ATOM 306 CG LEU A 23 -0.783 0.305 3.127 1.00 0.00 C ATOM 307 CD1 LEU A 23 -2.151 0.719 2.609 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.146 -0.036 1.972 1.00 0.00 C ATOM 0 H LEU A 23 -0.788 0.682 6.263 1.00 0.00 H new ATOM 0 HA LEU A 23 1.383 0.086 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.988 1.913 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.274 2.154 3.332 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.905 -0.585 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.566 -0.081 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.816 0.913 3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.054 1.623 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.300 -0.826 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.300 0.849 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.104 -0.376 2.364 1.00 0.00 H new ATOM 320 N LYS A 24 1.434 3.238 5.663 1.00 0.00 N ATOM 321 CA LYS A 24 2.313 4.377 5.900 1.00 0.00 C ATOM 322 C LYS A 24 3.536 3.960 6.711 1.00 0.00 C ATOM 323 O LYS A 24 4.623 4.515 6.545 1.00 0.00 O ATOM 324 CB LYS A 24 1.558 5.488 6.633 1.00 0.00 C ATOM 325 CG LYS A 24 2.322 6.798 6.706 1.00 0.00 C ATOM 326 CD LYS A 24 3.237 6.843 7.918 1.00 0.00 C ATOM 327 CE LYS A 24 4.402 7.796 7.702 1.00 0.00 C ATOM 328 NZ LYS A 24 4.022 9.209 7.979 1.00 0.00 N ATOM 0 H LYS A 24 0.451 3.414 5.871 1.00 0.00 H new ATOM 0 HA LYS A 24 2.649 4.752 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.606 5.660 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.330 5.154 7.645 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.912 6.927 5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.618 7.629 6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.668 7.155 8.793 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.617 5.843 8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.231 7.509 8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.756 7.710 6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.843 9.827 7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.248 9.491 7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.708 9.297 8.967 1.00 0.00 H new ATOM 342 N LYS A 25 3.353 2.978 7.587 1.00 0.00 N ATOM 343 CA LYS A 25 4.442 2.483 8.422 1.00 0.00 C ATOM 344 C LYS A 25 5.616 2.019 7.566 1.00 0.00 C ATOM 345 O LYS A 25 6.773 2.305 7.875 1.00 0.00 O ATOM 346 CB LYS A 25 3.953 1.332 9.304 1.00 0.00 C ATOM 347 CG LYS A 25 4.826 1.087 10.523 1.00 0.00 C ATOM 348 CD LYS A 25 4.641 2.174 11.569 1.00 0.00 C ATOM 349 CE LYS A 25 3.445 1.890 12.463 1.00 0.00 C ATOM 350 NZ LYS A 25 3.775 0.912 13.537 1.00 0.00 N ATOM 0 H LYS A 25 2.460 2.509 7.738 1.00 0.00 H new ATOM 0 HA LYS A 25 4.780 3.301 9.058 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.936 1.544 9.633 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.912 0.420 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.582 0.118 10.957 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.872 1.046 10.220 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.542 2.251 12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.507 3.136 11.075 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.099 2.820 12.913 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.624 1.503 11.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.934 0.745 14.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.081 0.015 13.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.541 1.292 14.129 1.00 0.00 H new ATOM 364 N TYR A 26 5.311 1.303 6.490 1.00 0.00 N ATOM 365 CA TYR A 26 6.341 0.798 5.590 1.00 0.00 C ATOM 366 C TYR A 26 6.950 1.931 4.769 1.00 0.00 C ATOM 367 O TYR A 26 8.131 1.897 4.425 1.00 0.00 O ATOM 368 CB TYR A 26 5.758 -0.266 4.658 1.00 0.00 C ATOM 369 CG TYR A 26 5.629 -1.628 5.301 1.00 0.00 C ATOM 370 CD1 TYR A 26 6.679 -2.539 5.260 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.459 -2.006 5.947 1.00 0.00 C ATOM 372 CE1 TYR A 26 6.566 -3.785 5.845 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.338 -3.250 6.536 1.00 0.00 C ATOM 374 CZ TYR A 26 5.393 -4.136 6.482 1.00 0.00 C ATOM 375 OH TYR A 26 5.276 -5.376 7.066 1.00 0.00 O ATOM 0 H TYR A 26 4.358 1.059 6.219 1.00 0.00 H new ATOM 0 HA TYR A 26 7.128 0.348 6.196 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.775 0.060 4.317 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.391 -0.349 3.774 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.598 -2.268 4.762 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.630 -1.316 5.990 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.391 -4.481 5.804 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.422 -3.527 7.036 1.00 0.00 H new ATOM 0 HH TYR A 26 4.389 -5.464 7.472 1.00 0.00 H new ATOM 385 N TRP A 27 6.135 2.933 4.460 1.00 0.00 N ATOM 386 CA TRP A 27 6.592 4.077 3.680 1.00 0.00 C ATOM 387 C TRP A 27 7.781 4.754 4.352 1.00 0.00 C ATOM 388 O TRP A 27 8.597 5.395 3.690 1.00 0.00 O ATOM 389 CB TRP A 27 5.454 5.083 3.497 1.00 0.00 C ATOM 390 CG TRP A 27 5.822 6.243 2.622 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.693 7.251 2.922 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.328 6.515 1.306 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.770 8.134 1.872 1.00 0.00 N ATOM 394 CE2 TRP A 27 5.943 7.704 0.868 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.428 5.869 0.455 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.684 8.259 -0.382 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.172 6.421 -0.786 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.798 7.605 -1.196 1.00 0.00 C ATOM 0 H TRP A 27 5.154 2.976 4.738 1.00 0.00 H new ATOM 0 HA TRP A 27 6.909 3.715 2.702 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.592 4.572 3.067 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.148 5.457 4.474 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.241 7.341 3.848 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.349 8.973 1.845 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.941 4.955 0.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.165 9.173 -0.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.477 5.931 -1.451 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.578 8.010 -2.173 1.00 0.00 H new ATOM 409 N ASP A 28 7.874 4.606 5.669 1.00 0.00 N ATOM 410 CA ASP A 28 8.966 5.202 6.430 1.00 0.00 C ATOM 411 C ASP A 28 10.299 4.557 6.065 1.00 0.00 C ATOM 412 O ASP A 28 11.359 5.024 6.479 1.00 0.00 O ATOM 413 CB ASP A 28 8.708 5.057 7.931 1.00 0.00 C ATOM 414 CG ASP A 28 9.986 5.110 8.745 1.00 0.00 C ATOM 415 OD1 ASP A 28 10.608 4.045 8.944 1.00 0.00 O ATOM 416 OD2 ASP A 28 10.364 6.216 9.183 1.00 0.00 O ATOM 0 H ASP A 28 7.206 4.079 6.232 1.00 0.00 H new ATOM 0 HA ASP A 28 9.016 6.261 6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.038 5.851 8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.199 4.112 8.120 1.00 0.00 H new ATOM 421 N ASN A 29 10.236 3.480 5.289 1.00 0.00 N ATOM 422 CA ASN A 29 11.438 2.769 4.870 1.00 0.00 C ATOM 423 C ASN A 29 11.666 2.922 3.369 1.00 0.00 C ATOM 424 O ASN A 29 12.421 2.162 2.764 1.00 0.00 O ATOM 425 CB ASN A 29 11.332 1.286 5.232 1.00 0.00 C ATOM 426 CG ASN A 29 11.854 0.992 6.625 1.00 0.00 C ATOM 427 OD1 ASN A 29 13.011 1.273 6.939 1.00 0.00 O ATOM 428 ND2 ASN A 29 11.000 0.424 7.469 1.00 0.00 N ATOM 0 H ASN A 29 9.366 3.081 4.938 1.00 0.00 H new ATOM 0 HA ASN A 29 12.288 3.204 5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.291 0.972 5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.891 0.697 4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.294 0.203 8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.050 0.209 7.166 1.00 0.00 H new ATOM 435 N GLY A 30 11.006 3.912 2.774 1.00 0.00 N ATOM 436 CA GLY A 30 11.150 4.147 1.349 1.00 0.00 C ATOM 437 C GLY A 30 10.270 3.234 0.519 1.00 0.00 C ATOM 438 O GLY A 30 10.642 2.840 -0.586 1.00 0.00 O ATOM 0 H GLY A 30 10.375 4.554 3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.902 5.185 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.192 4.001 1.063 1.00 0.00 H new ATOM 442 N MET A 31 9.101 2.895 1.053 1.00 0.00 N ATOM 443 CA MET A 31 8.166 2.021 0.353 1.00 0.00 C ATOM 444 C MET A 31 7.436 2.779 -0.751 1.00 0.00 C ATOM 445 O MET A 31 6.212 2.706 -0.865 1.00 0.00 O ATOM 446 CB MET A 31 7.154 1.430 1.336 1.00 0.00 C ATOM 447 CG MET A 31 6.647 0.055 0.932 1.00 0.00 C ATOM 448 SD MET A 31 5.009 -0.303 1.595 1.00 0.00 S ATOM 449 CE MET A 31 4.062 1.054 0.909 1.00 0.00 C ATOM 0 H MET A 31 8.779 3.212 1.967 1.00 0.00 H new ATOM 0 HA MET A 31 8.736 1.211 -0.102 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.614 1.364 2.322 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.306 2.109 1.425 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.617 -0.012 -0.156 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.349 -0.703 1.279 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.027 0.742 0.770 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.096 1.903 1.591 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.486 1.344 -0.053 1.00 0.00 H new ATOM 459 N THR A 32 8.195 3.508 -1.564 1.00 0.00 N ATOM 460 CA THR A 32 7.621 4.280 -2.659 1.00 0.00 C ATOM 461 C THR A 32 7.775 3.550 -3.988 1.00 0.00 C ATOM 462 O THR A 32 6.937 3.679 -4.879 1.00 0.00 O ATOM 463 CB THR A 32 8.275 5.670 -2.770 1.00 0.00 C ATOM 464 OG1 THR A 32 9.665 5.533 -3.085 1.00 0.00 O ATOM 465 CG2 THR A 32 8.119 6.447 -1.472 1.00 0.00 C ATOM 0 H THR A 32 9.209 3.580 -1.484 1.00 0.00 H new ATOM 0 HA THR A 32 6.561 4.402 -2.437 1.00 0.00 H new ATOM 0 HB THR A 32 7.774 6.220 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.073 6.421 -3.156 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.589 7.425 -1.575 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.060 6.575 -1.249 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.597 5.899 -0.660 1.00 0.00 H new ATOM 473 N SER A 33 8.853 2.782 -4.114 1.00 0.00 N ATOM 474 CA SER A 33 9.120 2.034 -5.336 1.00 0.00 C ATOM 475 C SER A 33 8.164 0.851 -5.468 1.00 0.00 C ATOM 476 O SER A 33 7.611 0.371 -4.478 1.00 0.00 O ATOM 477 CB SER A 33 10.567 1.538 -5.351 1.00 0.00 C ATOM 478 OG SER A 33 11.044 1.396 -6.678 1.00 0.00 O ATOM 0 H SER A 33 9.555 2.662 -3.384 1.00 0.00 H new ATOM 0 HA SER A 33 8.964 2.702 -6.183 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.200 2.238 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.632 0.581 -4.834 1.00 0.00 H new ATOM 0 HG SER A 33 12.024 1.396 -6.675 1.00 0.00 H new ATOM 484 N LEU A 34 7.975 0.387 -6.699 1.00 0.00 N ATOM 485 CA LEU A 34 7.086 -0.739 -6.962 1.00 0.00 C ATOM 486 C LEU A 34 7.884 -1.995 -7.301 1.00 0.00 C ATOM 487 O LEU A 34 7.496 -3.105 -6.941 1.00 0.00 O ATOM 488 CB LEU A 34 6.131 -0.403 -8.109 1.00 0.00 C ATOM 489 CG LEU A 34 4.908 0.436 -7.740 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.363 1.154 -8.965 1.00 0.00 C ATOM 491 CD2 LEU A 34 3.833 -0.437 -7.108 1.00 0.00 C ATOM 0 H LEU A 34 8.425 0.773 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 34 6.506 -0.931 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.692 0.128 -8.878 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.786 -1.337 -8.553 1.00 0.00 H new ATOM 0 HG LEU A 34 5.213 1.187 -7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.493 1.746 -8.682 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.131 1.810 -9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.074 0.421 -9.718 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.970 0.177 -6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.531 -1.211 -7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.227 -0.903 -6.205 1.00 0.00 H new ATOM 503 N GLY A 35 9.003 -1.809 -7.995 1.00 0.00 N ATOM 504 CA GLY A 35 9.839 -2.935 -8.369 1.00 0.00 C ATOM 505 C GLY A 35 10.100 -3.874 -7.208 1.00 0.00 C ATOM 506 O GLY A 35 9.742 -3.578 -6.068 1.00 0.00 O ATOM 0 H GLY A 35 9.345 -0.899 -8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.360 -3.487 -9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.789 -2.566 -8.754 1.00 0.00 H new ATOM 510 N SER A 36 10.726 -5.010 -7.497 1.00 0.00 N ATOM 511 CA SER A 36 11.031 -5.998 -6.469 1.00 0.00 C ATOM 512 C SER A 36 11.720 -5.345 -5.275 1.00 0.00 C ATOM 513 O SER A 36 11.532 -5.761 -4.131 1.00 0.00 O ATOM 514 CB SER A 36 11.918 -7.105 -7.042 1.00 0.00 C ATOM 515 OG SER A 36 11.164 -8.004 -7.836 1.00 0.00 O ATOM 0 H SER A 36 11.032 -5.269 -8.435 1.00 0.00 H new ATOM 0 HA SER A 36 10.092 -6.435 -6.130 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.713 -6.664 -7.643 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.398 -7.649 -6.228 1.00 0.00 H new ATOM 0 HG SER A 36 11.754 -8.701 -8.192 1.00 0.00 H new ATOM 521 N VAL A 37 12.519 -4.319 -5.549 1.00 0.00 N ATOM 522 CA VAL A 37 13.236 -3.606 -4.499 1.00 0.00 C ATOM 523 C VAL A 37 12.332 -3.336 -3.302 1.00 0.00 C ATOM 524 O VAL A 37 12.746 -3.486 -2.151 1.00 0.00 O ATOM 525 CB VAL A 37 13.802 -2.269 -5.013 1.00 0.00 C ATOM 526 CG1 VAL A 37 12.701 -1.433 -5.648 1.00 0.00 C ATOM 527 CG2 VAL A 37 14.477 -1.507 -3.883 1.00 0.00 C ATOM 0 H VAL A 37 12.686 -3.963 -6.490 1.00 0.00 H new ATOM 0 HA VAL A 37 14.062 -4.246 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 37 14.551 -2.480 -5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.119 -0.492 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.267 -1.979 -6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.927 -1.228 -4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.871 -0.565 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.751 -1.305 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.294 -2.105 -3.478 1.00 0.00 H new ATOM 537 N CYS A 38 11.095 -2.938 -3.579 1.00 0.00 N ATOM 538 CA CYS A 38 10.131 -2.647 -2.525 1.00 0.00 C ATOM 539 C CYS A 38 9.106 -3.769 -2.400 1.00 0.00 C ATOM 540 O CYS A 38 8.614 -4.055 -1.308 1.00 0.00 O ATOM 541 CB CYS A 38 9.421 -1.321 -2.806 1.00 0.00 C ATOM 542 SG CYS A 38 10.351 0.139 -2.283 1.00 0.00 S ATOM 0 H CYS A 38 10.736 -2.810 -4.525 1.00 0.00 H new ATOM 0 HA CYS A 38 10.674 -2.568 -1.583 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.221 -1.248 -3.875 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.455 -1.324 -2.300 1.00 0.00 H new ATOM 0 HG CYS A 38 10.561 0.084 -1.001 1.00 0.00 H new ATOM 548 N ARG A 39 8.788 -4.401 -3.524 1.00 0.00 N ATOM 549 CA ARG A 39 7.819 -5.491 -3.541 1.00 0.00 C ATOM 550 C ARG A 39 7.984 -6.383 -2.315 1.00 0.00 C ATOM 551 O ARG A 39 7.014 -6.684 -1.620 1.00 0.00 O ATOM 552 CB ARG A 39 7.977 -6.322 -4.815 1.00 0.00 C ATOM 553 CG ARG A 39 6.695 -7.008 -5.258 1.00 0.00 C ATOM 554 CD ARG A 39 6.775 -7.456 -6.709 1.00 0.00 C ATOM 555 NE ARG A 39 5.892 -8.587 -6.982 1.00 0.00 N ATOM 556 CZ ARG A 39 5.650 -9.053 -8.202 1.00 0.00 C ATOM 557 NH1 ARG A 39 6.222 -8.487 -9.256 1.00 0.00 N ATOM 558 NH2 ARG A 39 4.835 -10.086 -8.370 1.00 0.00 N ATOM 0 H ARG A 39 9.187 -4.177 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 39 6.820 -5.056 -3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.330 -5.676 -5.619 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.746 -7.077 -4.653 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.504 -7.871 -4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.854 -6.326 -5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.510 -6.623 -7.361 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.802 -7.732 -6.947 1.00 0.00 H new ATOM 0 HE ARG A 39 5.436 -9.044 -6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.849 -7.692 -9.131 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.035 -8.846 -10.192 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.393 -10.524 -7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.650 -10.443 -9.308 1.00 0.00 H new ATOM 572 N GLU A 40 9.218 -6.804 -2.056 1.00 0.00 N ATOM 573 CA GLU A 40 9.509 -7.663 -0.915 1.00 0.00 C ATOM 574 C GLU A 40 8.727 -7.215 0.317 1.00 0.00 C ATOM 575 O GLU A 40 8.133 -8.032 1.021 1.00 0.00 O ATOM 576 CB GLU A 40 11.008 -7.655 -0.610 1.00 0.00 C ATOM 577 CG GLU A 40 11.826 -8.520 -1.556 1.00 0.00 C ATOM 578 CD GLU A 40 13.319 -8.316 -1.389 1.00 0.00 C ATOM 579 OE1 GLU A 40 13.785 -7.172 -1.570 1.00 0.00 O ATOM 580 OE2 GLU A 40 14.021 -9.300 -1.077 1.00 0.00 O ATOM 0 H GLU A 40 10.032 -6.564 -2.621 1.00 0.00 H new ATOM 0 HA GLU A 40 9.203 -8.677 -1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.375 -6.630 -0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.164 -8.001 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.585 -9.569 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.545 -8.293 -2.584 1.00 0.00 H new ATOM 587 N LYS A 41 8.731 -5.910 0.570 1.00 0.00 N ATOM 588 CA LYS A 41 8.022 -5.351 1.715 1.00 0.00 C ATOM 589 C LYS A 41 6.513 -5.398 1.497 1.00 0.00 C ATOM 590 O LYS A 41 5.755 -5.721 2.411 1.00 0.00 O ATOM 591 CB LYS A 41 8.468 -3.908 1.961 1.00 0.00 C ATOM 592 CG LYS A 41 9.958 -3.766 2.217 1.00 0.00 C ATOM 593 CD LYS A 41 10.366 -4.432 3.520 1.00 0.00 C ATOM 594 CE LYS A 41 11.879 -4.501 3.661 1.00 0.00 C ATOM 595 NZ LYS A 41 12.288 -5.112 4.956 1.00 0.00 N ATOM 0 H LYS A 41 9.217 -5.220 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 41 8.263 -5.954 2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.197 -3.301 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.922 -3.509 2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.514 -4.210 1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.224 -2.709 2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.946 -3.878 4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.949 -5.438 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.294 -5.082 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.297 -3.497 3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.326 -5.141 5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.913 -4.543 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.911 -6.079 5.018 1.00 0.00 H new ATOM 609 N ILE A 42 6.085 -5.075 0.281 1.00 0.00 N ATOM 610 CA ILE A 42 4.667 -5.083 -0.056 1.00 0.00 C ATOM 611 C ILE A 42 4.036 -6.436 0.256 1.00 0.00 C ATOM 612 O ILE A 42 2.930 -6.506 0.790 1.00 0.00 O ATOM 613 CB ILE A 42 4.441 -4.755 -1.544 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.966 -3.354 -1.865 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.964 -4.865 -1.892 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.124 -3.093 -3.346 1.00 0.00 C ATOM 0 H ILE A 42 6.700 -4.805 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 42 4.193 -4.314 0.554 1.00 0.00 H new ATOM 0 HB ILE A 42 4.992 -5.476 -2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.285 -2.614 -1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.930 -3.215 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.820 -4.630 -2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.619 -5.880 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.394 -4.164 -1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.500 -2.081 -3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.828 -3.810 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.158 -3.200 -3.839 1.00 0.00 H new ATOM 628 N GLU A 43 4.748 -7.507 -0.080 1.00 0.00 N ATOM 629 CA GLU A 43 4.257 -8.858 0.166 1.00 0.00 C ATOM 630 C GLU A 43 3.860 -9.034 1.629 1.00 0.00 C ATOM 631 O GLU A 43 3.061 -9.908 1.965 1.00 0.00 O ATOM 632 CB GLU A 43 5.323 -9.889 -0.212 1.00 0.00 C ATOM 633 CG GLU A 43 5.762 -9.805 -1.665 1.00 0.00 C ATOM 634 CD GLU A 43 6.847 -10.808 -2.005 1.00 0.00 C ATOM 635 OE1 GLU A 43 6.506 -11.963 -2.336 1.00 0.00 O ATOM 636 OE2 GLU A 43 8.038 -10.437 -1.940 1.00 0.00 O ATOM 0 H GLU A 43 5.666 -7.466 -0.523 1.00 0.00 H new ATOM 0 HA GLU A 43 3.374 -9.015 -0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.193 -9.752 0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.936 -10.889 -0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.901 -9.974 -2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.124 -8.798 -1.874 1.00 0.00 H new ATOM 643 N ALA A 44 4.424 -8.198 2.494 1.00 0.00 N ATOM 644 CA ALA A 44 4.128 -8.260 3.920 1.00 0.00 C ATOM 645 C ALA A 44 2.882 -7.449 4.258 1.00 0.00 C ATOM 646 O ALA A 44 1.887 -7.992 4.738 1.00 0.00 O ATOM 647 CB ALA A 44 5.319 -7.764 4.728 1.00 0.00 C ATOM 0 H ALA A 44 5.088 -7.470 2.232 1.00 0.00 H new ATOM 0 HA ALA A 44 3.934 -9.300 4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.084 -7.816 5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.187 -8.389 4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.540 -6.732 4.455 1.00 0.00 H new ATOM 653 N VAL A 45 2.944 -6.146 4.006 1.00 0.00 N ATOM 654 CA VAL A 45 1.820 -5.259 4.283 1.00 0.00 C ATOM 655 C VAL A 45 0.531 -5.799 3.673 1.00 0.00 C ATOM 656 O VAL A 45 -0.563 -5.526 4.167 1.00 0.00 O ATOM 657 CB VAL A 45 2.077 -3.841 3.742 1.00 0.00 C ATOM 658 CG1 VAL A 45 1.960 -3.819 2.225 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.113 -2.847 4.373 1.00 0.00 C ATOM 0 H VAL A 45 3.761 -5.681 3.610 1.00 0.00 H new ATOM 0 HA VAL A 45 1.714 -5.212 5.367 1.00 0.00 H new ATOM 0 HB VAL A 45 3.092 -3.548 4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.145 -2.809 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.693 -4.500 1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.958 -4.132 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.309 -1.850 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.088 -3.135 4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.250 -2.843 5.454 1.00 0.00 H new ATOM 669 N ALA A 46 0.668 -6.566 2.597 1.00 0.00 N ATOM 670 CA ALA A 46 -0.485 -7.146 1.921 1.00 0.00 C ATOM 671 C ALA A 46 -0.995 -8.377 2.663 1.00 0.00 C ATOM 672 O ALA A 46 -2.199 -8.539 2.865 1.00 0.00 O ATOM 673 CB ALA A 46 -0.130 -7.503 0.485 1.00 0.00 C ATOM 0 H ALA A 46 1.566 -6.800 2.175 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.282 -6.403 1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.001 -7.935 -0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.180 -6.604 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.686 -8.226 0.481 1.00 0.00 H new ATOM 679 N THR A 47 -0.071 -9.244 3.066 1.00 0.00 N ATOM 680 CA THR A 47 -0.428 -10.461 3.785 1.00 0.00 C ATOM 681 C THR A 47 -0.848 -10.152 5.217 1.00 0.00 C ATOM 682 O THR A 47 -1.558 -10.935 5.847 1.00 0.00 O ATOM 683 CB THR A 47 0.744 -11.461 3.811 1.00 0.00 C ATOM 684 OG1 THR A 47 0.257 -12.779 4.088 1.00 0.00 O ATOM 685 CG2 THR A 47 1.772 -11.063 4.859 1.00 0.00 C ATOM 0 H THR A 47 0.930 -9.126 2.907 1.00 0.00 H new ATOM 0 HA THR A 47 -1.267 -10.908 3.252 1.00 0.00 H new ATOM 0 HB THR A 47 1.224 -11.450 2.833 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.008 -13.409 4.101 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.590 -11.784 4.859 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.162 -10.072 4.628 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.302 -11.048 5.842 1.00 0.00 H new ATOM 693 N GLU A 48 -0.407 -9.004 5.723 1.00 0.00 N ATOM 694 CA GLU A 48 -0.739 -8.593 7.082 1.00 0.00 C ATOM 695 C GLU A 48 -2.161 -8.042 7.152 1.00 0.00 C ATOM 696 O GLU A 48 -2.903 -8.324 8.093 1.00 0.00 O ATOM 697 CB GLU A 48 0.253 -7.538 7.576 1.00 0.00 C ATOM 698 CG GLU A 48 -0.251 -6.738 8.766 1.00 0.00 C ATOM 699 CD GLU A 48 -0.872 -7.614 9.837 1.00 0.00 C ATOM 700 OE1 GLU A 48 -0.492 -8.800 9.926 1.00 0.00 O ATOM 701 OE2 GLU A 48 -1.738 -7.114 10.584 1.00 0.00 O ATOM 0 H GLU A 48 0.180 -8.344 5.213 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.676 -9.471 7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.187 -8.029 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.480 -6.854 6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.577 -6.175 9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.988 -6.011 8.424 1.00 0.00 H new ATOM 708 N LEU A 49 -2.533 -7.254 6.148 1.00 0.00 N ATOM 709 CA LEU A 49 -3.866 -6.663 6.095 1.00 0.00 C ATOM 710 C LEU A 49 -4.858 -7.614 5.433 1.00 0.00 C ATOM 711 O LEU A 49 -6.069 -7.410 5.503 1.00 0.00 O ATOM 712 CB LEU A 49 -3.826 -5.338 5.331 1.00 0.00 C ATOM 713 CG LEU A 49 -3.120 -4.178 6.035 1.00 0.00 C ATOM 714 CD1 LEU A 49 -2.919 -3.015 5.077 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.911 -3.735 7.257 1.00 0.00 C ATOM 0 H LEU A 49 -1.931 -7.010 5.361 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.196 -6.478 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.334 -5.509 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.851 -5.036 5.114 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.140 -4.522 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.415 -2.199 5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.310 -3.340 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.888 -2.671 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.394 -2.909 7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.905 -3.410 6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.002 -4.569 7.953 1.00 0.00 H new ATOM 727 N ASN A 50 -4.335 -8.655 4.794 1.00 0.00 N ATOM 728 CA ASN A 50 -5.175 -9.640 4.122 1.00 0.00 C ATOM 729 C ASN A 50 -5.870 -9.025 2.911 1.00 0.00 C ATOM 730 O ASN A 50 -7.065 -9.232 2.696 1.00 0.00 O ATOM 731 CB ASN A 50 -6.217 -10.200 5.092 1.00 0.00 C ATOM 732 CG ASN A 50 -6.694 -11.583 4.694 1.00 0.00 C ATOM 733 OD1 ASN A 50 -7.662 -11.727 3.946 1.00 0.00 O ATOM 734 ND2 ASN A 50 -6.015 -12.609 5.192 1.00 0.00 N ATOM 0 H ASN A 50 -3.334 -8.839 4.727 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.535 -10.453 3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.791 -10.240 6.095 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.070 -9.523 5.135 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.289 -13.563 4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.219 -12.443 5.808 1.00 0.00 H new ATOM 741 N VAL A 51 -5.114 -8.270 2.121 1.00 0.00 N ATOM 742 CA VAL A 51 -5.656 -7.626 0.931 1.00 0.00 C ATOM 743 C VAL A 51 -4.813 -7.945 -0.299 1.00 0.00 C ATOM 744 O VAL A 51 -3.602 -8.145 -0.199 1.00 0.00 O ATOM 745 CB VAL A 51 -5.733 -6.098 1.104 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.760 -5.732 2.164 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.365 -5.533 1.458 1.00 0.00 C ATOM 0 H VAL A 51 -4.123 -8.089 2.284 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.663 -8.019 0.790 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.049 -5.658 0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.800 -4.648 2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.740 -6.104 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.477 -6.182 3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.437 -4.452 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.018 -5.978 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.659 -5.764 0.661 1.00 0.00 H new ATOM 757 N ASP A 52 -5.460 -7.990 -1.458 1.00 0.00 N ATOM 758 CA ASP A 52 -4.769 -8.284 -2.708 1.00 0.00 C ATOM 759 C ASP A 52 -3.542 -7.393 -2.873 1.00 0.00 C ATOM 760 O ASP A 52 -3.646 -6.166 -2.860 1.00 0.00 O ATOM 761 CB ASP A 52 -5.715 -8.093 -3.895 1.00 0.00 C ATOM 762 CG ASP A 52 -5.340 -8.961 -5.080 1.00 0.00 C ATOM 763 OD1 ASP A 52 -4.430 -8.567 -5.840 1.00 0.00 O ATOM 764 OD2 ASP A 52 -5.955 -10.035 -5.247 1.00 0.00 O ATOM 0 H ASP A 52 -6.462 -7.827 -1.558 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.441 -9.323 -2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.734 -8.327 -3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.706 -7.046 -4.198 1.00 0.00 H new ATOM 769 N CYS A 53 -2.380 -8.019 -3.026 1.00 0.00 N ATOM 770 CA CYS A 53 -1.131 -7.283 -3.191 1.00 0.00 C ATOM 771 C CYS A 53 -1.328 -6.075 -4.100 1.00 0.00 C ATOM 772 O CYS A 53 -0.801 -4.995 -3.836 1.00 0.00 O ATOM 773 CB CYS A 53 -0.048 -8.198 -3.766 1.00 0.00 C ATOM 774 SG CYS A 53 -0.550 -9.089 -5.257 1.00 0.00 S ATOM 0 H CYS A 53 -2.277 -9.034 -3.039 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.814 -6.929 -2.210 1.00 0.00 H new ATOM 0 HB2 CYS A 53 0.835 -7.600 -3.993 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.244 -8.921 -3.004 1.00 0.00 H new ATOM 0 HG CYS A 53 0.433 -9.834 -5.669 1.00 0.00 H new ATOM 780 N GLU A 54 -2.090 -6.266 -5.173 1.00 0.00 N ATOM 781 CA GLU A 54 -2.353 -5.191 -6.123 1.00 0.00 C ATOM 782 C GLU A 54 -2.888 -3.953 -5.409 1.00 0.00 C ATOM 783 O GLU A 54 -2.412 -2.840 -5.635 1.00 0.00 O ATOM 784 CB GLU A 54 -3.354 -5.652 -7.184 1.00 0.00 C ATOM 785 CG GLU A 54 -3.618 -4.616 -8.264 1.00 0.00 C ATOM 786 CD GLU A 54 -4.312 -5.202 -9.478 1.00 0.00 C ATOM 787 OE1 GLU A 54 -5.557 -5.304 -9.457 1.00 0.00 O ATOM 788 OE2 GLU A 54 -3.612 -5.560 -10.448 1.00 0.00 O ATOM 0 H GLU A 54 -2.535 -7.154 -5.406 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.412 -4.932 -6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.982 -6.564 -7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.296 -5.905 -6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.231 -3.815 -7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.673 -4.168 -8.571 1.00 0.00 H new ATOM 795 N ILE A 55 -3.879 -4.156 -4.547 1.00 0.00 N ATOM 796 CA ILE A 55 -4.477 -3.057 -3.799 1.00 0.00 C ATOM 797 C ILE A 55 -3.406 -2.176 -3.164 1.00 0.00 C ATOM 798 O ILE A 55 -3.544 -0.954 -3.110 1.00 0.00 O ATOM 799 CB ILE A 55 -5.421 -3.574 -2.697 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.609 -4.311 -3.318 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.901 -2.421 -1.828 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.369 -5.170 -2.331 1.00 0.00 C ATOM 0 H ILE A 55 -4.284 -5.071 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.053 -2.467 -4.512 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.872 -4.274 -2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.292 -3.581 -3.754 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.251 -4.939 -4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.567 -2.802 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.044 -1.935 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.437 -1.699 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.197 -5.663 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.700 -5.923 -1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.757 -4.544 -1.528 1.00 0.00 H new ATOM 814 N VAL A 56 -2.338 -2.806 -2.686 1.00 0.00 N ATOM 815 CA VAL A 56 -1.241 -2.080 -2.057 1.00 0.00 C ATOM 816 C VAL A 56 -0.336 -1.437 -3.102 1.00 0.00 C ATOM 817 O VAL A 56 -0.167 -0.218 -3.126 1.00 0.00 O ATOM 818 CB VAL A 56 -0.395 -3.005 -1.162 1.00 0.00 C ATOM 819 CG1 VAL A 56 0.878 -2.302 -0.718 1.00 0.00 C ATOM 820 CG2 VAL A 56 -1.205 -3.468 0.040 1.00 0.00 C ATOM 0 H VAL A 56 -2.209 -3.817 -2.722 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.690 -1.301 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.112 -3.883 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.462 -2.972 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.465 -2.025 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.621 -1.405 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.592 -4.121 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.519 -2.602 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.084 -4.014 -0.302 1.00 0.00 H new ATOM 830 N ARG A 57 0.243 -2.265 -3.965 1.00 0.00 N ATOM 831 CA ARG A 57 1.131 -1.778 -5.014 1.00 0.00 C ATOM 832 C ARG A 57 0.558 -0.527 -5.673 1.00 0.00 C ATOM 833 O ARG A 57 1.285 0.425 -5.962 1.00 0.00 O ATOM 834 CB ARG A 57 1.357 -2.864 -6.066 1.00 0.00 C ATOM 835 CG ARG A 57 2.546 -3.763 -5.768 1.00 0.00 C ATOM 836 CD ARG A 57 2.810 -4.734 -6.908 1.00 0.00 C ATOM 837 NE ARG A 57 3.405 -4.071 -8.065 1.00 0.00 N ATOM 838 CZ ARG A 57 3.412 -4.592 -9.287 1.00 0.00 C ATOM 839 NH1 ARG A 57 2.859 -5.776 -9.510 1.00 0.00 N ATOM 840 NH2 ARG A 57 3.973 -3.928 -10.290 1.00 0.00 N ATOM 0 H ARG A 57 0.113 -3.277 -3.959 1.00 0.00 H new ATOM 0 HA ARG A 57 2.087 -1.522 -4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.459 -3.477 -6.142 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.504 -2.392 -7.037 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.432 -3.152 -5.597 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.361 -4.320 -4.850 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.474 -5.526 -6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.874 -5.209 -7.204 1.00 0.00 H new ATOM 0 HE ARG A 57 3.839 -3.158 -7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.427 -6.290 -8.742 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.866 -6.173 -10.449 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.399 -3.017 -10.123 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.978 -4.329 -11.228 1.00 0.00 H new ATOM 854 N THR A 58 -0.750 -0.535 -5.910 1.00 0.00 N ATOM 855 CA THR A 58 -1.420 0.597 -6.537 1.00 0.00 C ATOM 856 C THR A 58 -1.420 1.814 -5.619 1.00 0.00 C ATOM 857 O THR A 58 -1.191 2.939 -6.064 1.00 0.00 O ATOM 858 CB THR A 58 -2.874 0.252 -6.913 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.896 -0.865 -7.809 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.563 1.443 -7.561 1.00 0.00 C ATOM 0 H THR A 58 -1.366 -1.313 -5.677 1.00 0.00 H new ATOM 0 HA THR A 58 -0.863 0.830 -7.445 1.00 0.00 H new ATOM 0 HB THR A 58 -3.411 -0.005 -6.000 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.748 -1.692 -7.304 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.588 1.175 -7.818 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.571 2.282 -6.865 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.025 1.727 -8.465 1.00 0.00 H new ATOM 868 N TRP A 59 -1.677 1.581 -4.337 1.00 0.00 N ATOM 869 CA TRP A 59 -1.705 2.660 -3.355 1.00 0.00 C ATOM 870 C TRP A 59 -0.392 3.434 -3.360 1.00 0.00 C ATOM 871 O TRP A 59 -0.383 4.660 -3.240 1.00 0.00 O ATOM 872 CB TRP A 59 -1.976 2.099 -1.959 1.00 0.00 C ATOM 873 CG TRP A 59 -1.800 3.111 -0.867 1.00 0.00 C ATOM 874 CD1 TRP A 59 -2.756 3.942 -0.358 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.592 3.400 -0.154 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.216 4.730 0.630 1.00 0.00 N ATOM 877 CE2 TRP A 59 -0.891 4.417 0.775 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.711 2.898 -0.207 1.00 0.00 C ATOM 879 CZ2 TRP A 59 0.067 4.939 1.640 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.660 3.418 0.651 1.00 0.00 C ATOM 881 CH2 TRP A 59 1.335 4.429 1.565 1.00 0.00 C ATOM 0 H TRP A 59 -1.869 0.656 -3.953 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.509 3.344 -3.626 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.993 1.710 -1.923 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.306 1.258 -1.777 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.785 3.975 -0.684 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.721 5.434 1.168 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.971 2.117 -0.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.181 5.719 2.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.671 3.039 0.617 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.100 4.813 2.223 1.00 0.00 H new ATOM 892 N ILE A 60 0.715 2.713 -3.498 1.00 0.00 N ATOM 893 CA ILE A 60 2.034 3.334 -3.519 1.00 0.00 C ATOM 894 C ILE A 60 2.139 4.363 -4.639 1.00 0.00 C ATOM 895 O ILE A 60 2.302 5.556 -4.386 1.00 0.00 O ATOM 896 CB ILE A 60 3.148 2.285 -3.695 1.00 0.00 C ATOM 897 CG1 ILE A 60 3.111 1.273 -2.548 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.507 2.963 -3.767 1.00 0.00 C ATOM 899 CD1 ILE A 60 4.081 0.125 -2.724 1.00 0.00 C ATOM 0 H ILE A 60 0.725 1.698 -3.597 1.00 0.00 H new ATOM 0 HA ILE A 60 2.164 3.832 -2.558 1.00 0.00 H new ATOM 0 HB ILE A 60 2.980 1.752 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.335 1.787 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.101 0.874 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.284 2.209 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.527 3.648 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.685 3.519 -2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.000 -0.553 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.845 -0.414 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.098 0.514 -2.783 1.00 0.00 H new ATOM 911 N GLY A 61 2.042 3.893 -5.879 1.00 0.00 N ATOM 912 CA GLY A 61 2.126 4.786 -7.019 1.00 0.00 C ATOM 913 C GLY A 61 1.151 5.943 -6.923 1.00 0.00 C ATOM 914 O GLY A 61 1.488 7.077 -7.263 1.00 0.00 O ATOM 0 H GLY A 61 1.907 2.910 -6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.141 5.176 -7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.929 4.224 -7.932 1.00 0.00 H new ATOM 918 N ASN A 62 -0.061 5.657 -6.460 1.00 0.00 N ATOM 919 CA ASN A 62 -1.089 6.682 -6.323 1.00 0.00 C ATOM 920 C ASN A 62 -0.597 7.831 -5.447 1.00 0.00 C ATOM 921 O ASN A 62 -0.560 8.983 -5.880 1.00 0.00 O ATOM 922 CB ASN A 62 -2.363 6.081 -5.726 1.00 0.00 C ATOM 923 CG ASN A 62 -2.953 4.993 -6.602 1.00 0.00 C ATOM 924 OD1 ASN A 62 -2.336 4.561 -7.576 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.155 4.544 -6.258 1.00 0.00 N ATOM 0 H ASN A 62 -0.356 4.724 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.311 7.073 -7.316 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.141 5.670 -4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.102 6.870 -5.584 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.603 3.812 -6.809 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.630 4.931 -5.443 1.00 0.00 H new ATOM 932 N ARG A 63 -0.221 7.509 -4.214 1.00 0.00 N ATOM 933 CA ARG A 63 0.268 8.513 -3.277 1.00 0.00 C ATOM 934 C ARG A 63 1.315 9.407 -3.936 1.00 0.00 C ATOM 935 O ARG A 63 1.167 10.629 -3.973 1.00 0.00 O ATOM 936 CB ARG A 63 0.863 7.840 -2.039 1.00 0.00 C ATOM 937 CG ARG A 63 0.886 8.735 -0.811 1.00 0.00 C ATOM 938 CD ARG A 63 1.404 7.992 0.411 1.00 0.00 C ATOM 939 NE ARG A 63 1.490 8.859 1.583 1.00 0.00 N ATOM 940 CZ ARG A 63 2.107 8.515 2.708 1.00 0.00 C ATOM 941 NH1 ARG A 63 2.689 7.328 2.812 1.00 0.00 N ATOM 942 NH2 ARG A 63 2.142 9.358 3.732 1.00 0.00 N ATOM 0 H ARG A 63 -0.246 6.560 -3.840 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.576 9.133 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.288 6.942 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.880 7.520 -2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.516 9.603 -1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.119 9.108 -0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.746 7.151 0.630 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.389 7.578 0.193 1.00 0.00 H new ATOM 0 HE ARG A 63 1.052 9.779 1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.663 6.677 2.027 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.162 7.066 3.677 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.695 10.272 3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.616 9.092 4.595 1.00 0.00 H new ATOM 956 N ARG A 64 2.372 8.789 -4.453 1.00 0.00 N ATOM 957 CA ARG A 64 3.444 9.529 -5.108 1.00 0.00 C ATOM 958 C ARG A 64 2.893 10.745 -5.847 1.00 0.00 C ATOM 959 O ARG A 64 3.367 11.865 -5.658 1.00 0.00 O ATOM 960 CB ARG A 64 4.195 8.622 -6.084 1.00 0.00 C ATOM 961 CG ARG A 64 4.746 7.359 -5.442 1.00 0.00 C ATOM 962 CD ARG A 64 5.888 6.773 -6.257 1.00 0.00 C ATOM 963 NE ARG A 64 5.484 6.469 -7.627 1.00 0.00 N ATOM 964 CZ ARG A 64 6.337 6.368 -8.640 1.00 0.00 C ATOM 965 NH1 ARG A 64 7.635 6.545 -8.438 1.00 0.00 N ATOM 966 NH2 ARG A 64 5.892 6.088 -9.859 1.00 0.00 N ATOM 0 H ARG A 64 2.509 7.778 -4.431 1.00 0.00 H new ATOM 0 HA ARG A 64 4.135 9.876 -4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.524 8.343 -6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.018 9.182 -6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.095 7.584 -4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.950 6.621 -5.346 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.720 7.477 -6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.248 5.864 -5.775 1.00 0.00 H new ATOM 0 HE ARG A 64 4.492 6.326 -7.816 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.981 6.759 -7.503 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.288 6.467 -9.218 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.894 5.950 -10.018 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.548 6.011 -10.636 1.00 0.00 H new