USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 85:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.284) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0824 X(o=-0.082,f=0.24) USER MOD Single : A 31 MET CE :methyl 139:sc= -2.69 (180deg=-5.81!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 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 180:sc= -2.19 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= -0.957 K(o=-0.96,f=-2.5!) USER MOD Single : A 53 CYS SG : rot 180:sc= -0.204 USER MOD Single : A 58 THR OG1 : rot 97:sc= 1.25 USER MOD Single : A 62 ASN : amide:sc= -0.315 X(o=-0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 179 N PHE A 15 -9.093 3.432 2.189 1.00 0.00 N ATOM 180 CA PHE A 15 -8.485 2.835 3.372 1.00 0.00 C ATOM 181 C PHE A 15 -8.910 3.577 4.636 1.00 0.00 C ATOM 182 O PHE A 15 -9.343 4.727 4.577 1.00 0.00 O ATOM 183 CB PHE A 15 -6.959 2.848 3.249 1.00 0.00 C ATOM 184 CG PHE A 15 -6.417 1.731 2.404 1.00 0.00 C ATOM 185 CD1 PHE A 15 -6.168 0.485 2.956 1.00 0.00 C ATOM 186 CD2 PHE A 15 -6.155 1.928 1.058 1.00 0.00 C ATOM 187 CE1 PHE A 15 -5.668 -0.544 2.180 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.656 0.903 0.277 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.413 -0.335 0.839 1.00 0.00 C ATOM 0 HA PHE A 15 -8.829 1.803 3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.645 3.801 2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.521 2.785 4.245 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.367 0.316 4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.343 2.894 0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.477 -1.511 2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.456 1.070 -0.771 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.024 -1.138 0.231 1.00 0.00 H new ATOM 199 N SER A 16 -8.785 2.908 5.778 1.00 0.00 N ATOM 200 CA SER A 16 -9.161 3.501 7.056 1.00 0.00 C ATOM 201 C SER A 16 -7.924 3.839 7.883 1.00 0.00 C ATOM 202 O SER A 16 -6.931 3.110 7.861 1.00 0.00 O ATOM 203 CB SER A 16 -10.066 2.547 7.838 1.00 0.00 C ATOM 204 OG SER A 16 -10.916 3.259 8.720 1.00 0.00 O ATOM 0 H SER A 16 -8.426 1.955 5.844 1.00 0.00 H new ATOM 0 HA SER A 16 -9.705 4.424 6.854 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.667 1.960 7.144 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.455 1.844 8.405 1.00 0.00 H new ATOM 0 HG SER A 16 -11.485 2.627 9.207 1.00 0.00 H new ATOM 210 N ASP A 17 -7.991 4.948 8.610 1.00 0.00 N ATOM 211 CA ASP A 17 -6.878 5.384 9.445 1.00 0.00 C ATOM 212 C ASP A 17 -6.143 4.186 10.039 1.00 0.00 C ATOM 213 O ASP A 17 -4.914 4.128 10.020 1.00 0.00 O ATOM 214 CB ASP A 17 -7.380 6.297 10.565 1.00 0.00 C ATOM 215 CG ASP A 17 -6.471 6.277 11.779 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.238 6.359 11.599 1.00 0.00 O ATOM 217 OD2 ASP A 17 -6.994 6.180 12.909 1.00 0.00 O ATOM 0 H ASP A 17 -8.805 5.562 8.638 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.181 5.941 8.818 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.459 7.318 10.190 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.383 5.988 10.860 1.00 0.00 H new ATOM 222 N ARG A 18 -6.905 3.233 10.567 1.00 0.00 N ATOM 223 CA ARG A 18 -6.326 2.038 11.169 1.00 0.00 C ATOM 224 C ARG A 18 -5.468 1.282 10.159 1.00 0.00 C ATOM 225 O ARG A 18 -4.311 0.959 10.430 1.00 0.00 O ATOM 226 CB ARG A 18 -7.430 1.123 11.701 1.00 0.00 C ATOM 227 CG ARG A 18 -6.989 0.249 12.864 1.00 0.00 C ATOM 228 CD ARG A 18 -6.322 -1.028 12.378 1.00 0.00 C ATOM 229 NE ARG A 18 -7.214 -1.829 11.544 1.00 0.00 N ATOM 230 CZ ARG A 18 -6.990 -3.103 11.240 1.00 0.00 C ATOM 231 NH1 ARG A 18 -5.909 -3.717 11.700 1.00 0.00 N ATOM 232 NH2 ARG A 18 -7.849 -3.765 10.476 1.00 0.00 N ATOM 0 H ARG A 18 -7.924 3.265 10.590 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.691 2.351 11.998 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.276 1.734 12.017 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.783 0.485 10.891 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.297 0.805 13.496 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.852 -0.002 13.480 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.426 -0.776 11.811 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.001 -1.618 13.236 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.055 -1.386 11.175 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.247 -3.211 12.289 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.739 -4.695 11.465 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.682 -3.296 10.121 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.676 -4.743 10.243 1.00 0.00 H new ATOM 246 N ASP A 19 -6.042 1.003 8.993 1.00 0.00 N ATOM 247 CA ASP A 19 -5.329 0.286 7.942 1.00 0.00 C ATOM 248 C ASP A 19 -4.127 1.088 7.456 1.00 0.00 C ATOM 249 O ASP A 19 -3.007 0.579 7.403 1.00 0.00 O ATOM 250 CB ASP A 19 -6.268 -0.010 6.772 1.00 0.00 C ATOM 251 CG ASP A 19 -7.233 -1.139 7.075 1.00 0.00 C ATOM 252 OD1 ASP A 19 -6.815 -2.119 7.726 1.00 0.00 O ATOM 253 OD2 ASP A 19 -8.408 -1.042 6.662 1.00 0.00 O ATOM 0 H ASP A 19 -6.999 1.262 8.752 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.970 -0.656 8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.832 0.890 6.526 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.678 -0.267 5.892 1.00 0.00 H new ATOM 258 N LEU A 20 -4.366 2.346 7.099 1.00 0.00 N ATOM 259 CA LEU A 20 -3.303 3.219 6.615 1.00 0.00 C ATOM 260 C LEU A 20 -2.068 3.119 7.506 1.00 0.00 C ATOM 261 O LEU A 20 -0.960 2.886 7.023 1.00 0.00 O ATOM 262 CB LEU A 20 -3.791 4.668 6.562 1.00 0.00 C ATOM 263 CG LEU A 20 -4.688 5.031 5.379 1.00 0.00 C ATOM 264 CD1 LEU A 20 -5.384 6.361 5.625 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.879 5.081 4.091 1.00 0.00 C ATOM 0 H LEU A 20 -5.287 2.783 7.136 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.031 2.896 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.334 4.881 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.920 5.323 6.546 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.450 4.259 5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.018 6.603 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.996 6.290 6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.637 7.144 5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.534 5.341 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.094 5.832 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.428 4.106 3.906 1.00 0.00 H new ATOM 277 N ALA A 21 -2.268 3.294 8.808 1.00 0.00 N ATOM 278 CA ALA A 21 -1.172 3.218 9.766 1.00 0.00 C ATOM 279 C ALA A 21 -0.159 2.154 9.358 1.00 0.00 C ATOM 280 O ALA A 21 1.051 2.373 9.428 1.00 0.00 O ATOM 281 CB ALA A 21 -1.708 2.933 11.160 1.00 0.00 C ATOM 0 H ALA A 21 -3.179 3.489 9.224 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.663 4.182 9.775 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.878 2.879 11.865 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.387 3.732 11.459 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.244 1.984 11.157 1.00 0.00 H new ATOM 287 N THR A 22 -0.660 0.998 8.933 1.00 0.00 N ATOM 288 CA THR A 22 0.201 -0.101 8.517 1.00 0.00 C ATOM 289 C THR A 22 1.005 0.270 7.276 1.00 0.00 C ATOM 290 O THR A 22 2.224 0.101 7.240 1.00 0.00 O ATOM 291 CB THR A 22 -0.616 -1.374 8.224 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.434 -1.702 9.352 1.00 0.00 O ATOM 293 CG2 THR A 22 0.302 -2.543 7.899 1.00 0.00 C ATOM 0 H THR A 22 -1.658 0.799 8.868 1.00 0.00 H new ATOM 0 HA THR A 22 0.884 -0.298 9.343 1.00 0.00 H new ATOM 0 HB THR A 22 -1.251 -1.180 7.360 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.269 -1.191 9.310 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.297 -3.431 7.696 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.902 -2.301 7.022 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.960 -2.736 8.747 1.00 0.00 H new ATOM 301 N LEU A 23 0.315 0.776 6.260 1.00 0.00 N ATOM 302 CA LEU A 23 0.966 1.173 5.016 1.00 0.00 C ATOM 303 C LEU A 23 2.020 2.246 5.270 1.00 0.00 C ATOM 304 O LEU A 23 3.195 2.066 4.949 1.00 0.00 O ATOM 305 CB LEU A 23 -0.071 1.688 4.016 1.00 0.00 C ATOM 306 CG LEU A 23 -0.804 0.622 3.200 1.00 0.00 C ATOM 307 CD1 LEU A 23 -2.150 1.146 2.725 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.045 0.177 2.019 1.00 0.00 C ATOM 0 H LEU A 23 -0.695 0.921 6.273 1.00 0.00 H new ATOM 0 HA LEU A 23 1.461 0.296 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.812 2.273 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.427 2.368 3.324 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.980 -0.242 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.657 0.374 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.761 1.414 3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.998 2.027 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.492 -0.582 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.253 1.033 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.984 -0.240 2.383 1.00 0.00 H new ATOM 320 N LYS A 24 1.593 3.361 5.852 1.00 0.00 N ATOM 321 CA LYS A 24 2.499 4.463 6.154 1.00 0.00 C ATOM 322 C LYS A 24 3.753 3.958 6.860 1.00 0.00 C ATOM 323 O LYS A 24 4.854 4.456 6.624 1.00 0.00 O ATOM 324 CB LYS A 24 1.795 5.505 7.026 1.00 0.00 C ATOM 325 CG LYS A 24 0.993 6.521 6.231 1.00 0.00 C ATOM 326 CD LYS A 24 0.002 7.262 7.113 1.00 0.00 C ATOM 327 CE LYS A 24 0.706 8.235 8.047 1.00 0.00 C ATOM 328 NZ LYS A 24 0.896 9.571 7.416 1.00 0.00 N ATOM 0 H LYS A 24 0.624 3.526 6.124 1.00 0.00 H new ATOM 0 HA LYS A 24 2.794 4.926 5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.130 4.994 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.540 6.030 7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.671 7.235 5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.459 6.015 5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.708 7.804 6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.572 6.545 7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.124 8.345 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.676 7.827 8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.379 10.205 8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.472 9.470 6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.031 9.972 7.166 1.00 0.00 H new ATOM 342 N LYS A 25 3.580 2.965 7.726 1.00 0.00 N ATOM 343 CA LYS A 25 4.698 2.390 8.464 1.00 0.00 C ATOM 344 C LYS A 25 5.816 1.968 7.517 1.00 0.00 C ATOM 345 O LYS A 25 6.973 2.348 7.699 1.00 0.00 O ATOM 346 CB LYS A 25 4.228 1.186 9.284 1.00 0.00 C ATOM 347 CG LYS A 25 5.235 0.729 10.325 1.00 0.00 C ATOM 348 CD LYS A 25 4.891 -0.648 10.868 1.00 0.00 C ATOM 349 CE LYS A 25 3.978 -0.556 12.081 1.00 0.00 C ATOM 350 NZ LYS A 25 2.540 -0.541 11.693 1.00 0.00 N ATOM 0 H LYS A 25 2.676 2.542 7.934 1.00 0.00 H new ATOM 0 HA LYS A 25 5.087 3.153 9.139 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.292 1.439 9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.015 0.358 8.608 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.232 0.708 9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.264 1.447 11.144 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.405 -1.237 10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.807 -1.173 11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.167 -1.401 12.743 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.212 0.348 12.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.958 -0.832 12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.269 0.420 11.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.387 -1.200 10.903 1.00 0.00 H new ATOM 364 N TYR A 26 5.464 1.183 6.505 1.00 0.00 N ATOM 365 CA TYR A 26 6.439 0.709 5.530 1.00 0.00 C ATOM 366 C TYR A 26 7.006 1.870 4.719 1.00 0.00 C ATOM 367 O TYR A 26 8.174 1.857 4.330 1.00 0.00 O ATOM 368 CB TYR A 26 5.797 -0.317 4.594 1.00 0.00 C ATOM 369 CG TYR A 26 5.697 -1.702 5.191 1.00 0.00 C ATOM 370 CD1 TYR A 26 6.837 -2.455 5.443 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.463 -2.259 5.502 1.00 0.00 C ATOM 372 CE1 TYR A 26 6.751 -3.722 5.988 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.367 -3.524 6.048 1.00 0.00 C ATOM 374 CZ TYR A 26 5.513 -4.252 6.289 1.00 0.00 C ATOM 375 OH TYR A 26 5.422 -5.513 6.832 1.00 0.00 O ATOM 0 H TYR A 26 4.510 0.861 6.338 1.00 0.00 H new ATOM 0 HA TYR A 26 7.257 0.235 6.072 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.798 0.026 4.323 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.377 -0.369 3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.807 -2.043 5.209 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.563 -1.693 5.314 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.647 -4.294 6.177 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.399 -3.941 6.285 1.00 0.00 H new ATOM 0 HH TYR A 26 4.480 -5.736 6.985 1.00 0.00 H new ATOM 385 N TRP A 27 6.171 2.871 4.468 1.00 0.00 N ATOM 386 CA TRP A 27 6.588 4.041 3.703 1.00 0.00 C ATOM 387 C TRP A 27 7.809 4.699 4.338 1.00 0.00 C ATOM 388 O TRP A 27 8.617 5.323 3.650 1.00 0.00 O ATOM 389 CB TRP A 27 5.442 5.049 3.608 1.00 0.00 C ATOM 390 CG TRP A 27 5.819 6.312 2.896 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.647 7.296 3.355 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.381 6.728 1.597 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.750 8.299 2.421 1.00 0.00 N ATOM 394 CE2 TRP A 27 5.984 7.973 1.333 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.540 6.168 0.632 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.770 8.666 0.144 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.329 6.857 -0.547 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.942 8.095 -0.783 1.00 0.00 C ATOM 0 H TRP A 27 5.201 2.897 4.783 1.00 0.00 H new ATOM 0 HA TRP A 27 6.856 3.711 2.699 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.602 4.586 3.090 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.100 5.295 4.613 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.148 7.287 4.312 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.306 9.148 2.522 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.064 5.214 0.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.241 9.620 -0.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.680 6.434 -1.300 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.757 8.608 -1.715 1.00 0.00 H new ATOM 409 N ASP A 28 7.937 4.555 5.652 1.00 0.00 N ATOM 410 CA ASP A 28 9.060 5.134 6.379 1.00 0.00 C ATOM 411 C ASP A 28 10.372 4.474 5.967 1.00 0.00 C ATOM 412 O ASP A 28 11.452 4.927 6.345 1.00 0.00 O ATOM 413 CB ASP A 28 8.851 4.985 7.887 1.00 0.00 C ATOM 414 CG ASP A 28 9.903 5.722 8.693 1.00 0.00 C ATOM 415 OD1 ASP A 28 10.985 5.143 8.927 1.00 0.00 O ATOM 416 OD2 ASP A 28 9.644 6.877 9.089 1.00 0.00 O ATOM 0 H ASP A 28 7.276 4.042 6.236 1.00 0.00 H new ATOM 0 HA ASP A 28 9.114 6.194 6.131 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.864 5.362 8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.870 3.928 8.151 1.00 0.00 H new ATOM 421 N ASN A 29 10.271 3.400 5.191 1.00 0.00 N ATOM 422 CA ASN A 29 11.449 2.676 4.729 1.00 0.00 C ATOM 423 C ASN A 29 11.648 2.861 3.228 1.00 0.00 C ATOM 424 O ASN A 29 12.374 2.101 2.589 1.00 0.00 O ATOM 425 CB ASN A 29 11.321 1.188 5.059 1.00 0.00 C ATOM 426 CG ASN A 29 12.670 0.513 5.220 1.00 0.00 C ATOM 427 OD1 ASN A 29 13.325 0.168 4.237 1.00 0.00 O ATOM 428 ND2 ASN A 29 13.090 0.321 6.465 1.00 0.00 N ATOM 0 H ASN A 29 9.385 3.012 4.869 1.00 0.00 H new ATOM 0 HA ASN A 29 12.319 3.082 5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.747 1.071 5.978 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.761 0.690 4.268 1.00 0.00 H new ATOM 0 HD21 ASN A 29 13.989 -0.129 6.636 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.513 0.623 7.250 1.00 0.00 H new ATOM 435 N GLY A 30 10.996 3.877 2.671 1.00 0.00 N ATOM 436 CA GLY A 30 11.114 4.144 1.249 1.00 0.00 C ATOM 437 C GLY A 30 10.214 3.254 0.416 1.00 0.00 C ATOM 438 O GLY A 30 10.562 2.883 -0.705 1.00 0.00 O ATOM 0 H GLY A 30 10.388 4.520 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.866 5.188 1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.149 4.000 0.940 1.00 0.00 H new ATOM 442 N MET A 31 9.053 2.909 0.964 1.00 0.00 N ATOM 443 CA MET A 31 8.101 2.056 0.263 1.00 0.00 C ATOM 444 C MET A 31 7.361 2.840 -0.817 1.00 0.00 C ATOM 445 O MET A 31 6.134 2.783 -0.910 1.00 0.00 O ATOM 446 CB MET A 31 7.099 1.455 1.250 1.00 0.00 C ATOM 447 CG MET A 31 6.568 0.096 0.826 1.00 0.00 C ATOM 448 SD MET A 31 4.945 -0.266 1.524 1.00 0.00 S ATOM 449 CE MET A 31 3.992 1.114 0.895 1.00 0.00 C ATOM 0 H MET A 31 8.749 3.207 1.891 1.00 0.00 H new ATOM 0 HA MET A 31 8.657 1.250 -0.215 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.575 1.361 2.226 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.261 2.142 1.368 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.508 0.057 -0.262 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.272 -0.677 1.134 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.011 0.763 0.576 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.873 1.861 1.679 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.512 1.559 0.046 1.00 0.00 H new ATOM 459 N THR A 32 8.114 3.573 -1.631 1.00 0.00 N ATOM 460 CA THR A 32 7.529 4.369 -2.703 1.00 0.00 C ATOM 461 C THR A 32 7.960 3.851 -4.070 1.00 0.00 C ATOM 462 O THR A 32 8.188 4.630 -4.996 1.00 0.00 O ATOM 463 CB THR A 32 7.926 5.853 -2.580 1.00 0.00 C ATOM 464 OG1 THR A 32 9.336 6.002 -2.783 1.00 0.00 O ATOM 465 CG2 THR A 32 7.544 6.404 -1.215 1.00 0.00 C ATOM 0 H THR A 32 9.130 3.632 -1.568 1.00 0.00 H new ATOM 0 HA THR A 32 6.447 4.280 -2.609 1.00 0.00 H new ATOM 0 HB THR A 32 7.388 6.414 -3.344 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.580 6.948 -2.705 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.834 7.453 -1.152 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.466 6.317 -1.076 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.057 5.838 -0.438 1.00 0.00 H new ATOM 473 N SER A 33 8.068 2.532 -4.191 1.00 0.00 N ATOM 474 CA SER A 33 8.474 1.910 -5.446 1.00 0.00 C ATOM 475 C SER A 33 7.716 0.606 -5.676 1.00 0.00 C ATOM 476 O SER A 33 7.289 -0.053 -4.727 1.00 0.00 O ATOM 477 CB SER A 33 9.980 1.645 -5.444 1.00 0.00 C ATOM 478 OG SER A 33 10.710 2.849 -5.288 1.00 0.00 O ATOM 0 H SER A 33 7.880 1.873 -3.435 1.00 0.00 H new ATOM 0 HA SER A 33 8.235 2.597 -6.258 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.230 0.957 -4.636 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.268 1.160 -6.377 1.00 0.00 H new ATOM 0 HG SER A 33 11.670 2.652 -5.288 1.00 0.00 H new ATOM 484 N LEU A 34 7.553 0.239 -6.942 1.00 0.00 N ATOM 485 CA LEU A 34 6.847 -0.987 -7.299 1.00 0.00 C ATOM 486 C LEU A 34 7.829 -2.124 -7.561 1.00 0.00 C ATOM 487 O LEU A 34 7.522 -3.291 -7.324 1.00 0.00 O ATOM 488 CB LEU A 34 5.975 -0.755 -8.534 1.00 0.00 C ATOM 489 CG LEU A 34 4.650 -0.032 -8.294 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.248 0.769 -9.523 1.00 0.00 C ATOM 491 CD2 LEU A 34 3.559 -1.026 -7.923 1.00 0.00 C ATOM 0 H LEU A 34 7.900 0.773 -7.739 1.00 0.00 H new ATOM 0 HA LEU A 34 6.210 -1.268 -6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.552 -0.182 -9.259 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.761 -1.722 -8.990 1.00 0.00 H new ATOM 0 HG LEU A 34 4.782 0.660 -7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.302 1.277 -9.333 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.018 1.508 -9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.135 0.097 -10.374 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.623 -0.493 -7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.429 -1.743 -8.734 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.843 -1.555 -7.013 1.00 0.00 H new ATOM 503 N GLY A 35 9.015 -1.774 -8.052 1.00 0.00 N ATOM 504 CA GLY A 35 10.025 -2.776 -8.336 1.00 0.00 C ATOM 505 C GLY A 35 10.220 -3.745 -7.187 1.00 0.00 C ATOM 506 O GLY A 35 9.705 -3.530 -6.090 1.00 0.00 O ATOM 0 H GLY A 35 9.293 -0.815 -8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.741 -3.330 -9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.971 -2.282 -8.555 1.00 0.00 H new ATOM 510 N SER A 36 10.965 -4.817 -7.439 1.00 0.00 N ATOM 511 CA SER A 36 11.222 -5.826 -6.418 1.00 0.00 C ATOM 512 C SER A 36 11.849 -5.196 -5.177 1.00 0.00 C ATOM 513 O SER A 36 11.609 -5.639 -4.054 1.00 0.00 O ATOM 514 CB SER A 36 12.142 -6.917 -6.970 1.00 0.00 C ATOM 515 OG SER A 36 11.504 -7.648 -8.002 1.00 0.00 O ATOM 0 H SER A 36 11.401 -5.009 -8.341 1.00 0.00 H new ATOM 0 HA SER A 36 10.269 -6.273 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.058 -6.466 -7.352 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.432 -7.594 -6.166 1.00 0.00 H new ATOM 0 HG SER A 36 12.113 -8.338 -8.339 1.00 0.00 H new ATOM 521 N VAL A 37 12.653 -4.159 -5.390 1.00 0.00 N ATOM 522 CA VAL A 37 13.313 -3.467 -4.290 1.00 0.00 C ATOM 523 C VAL A 37 12.341 -3.197 -3.147 1.00 0.00 C ATOM 524 O VAL A 37 12.704 -3.293 -1.974 1.00 0.00 O ATOM 525 CB VAL A 37 13.925 -2.132 -4.754 1.00 0.00 C ATOM 526 CG1 VAL A 37 15.130 -2.379 -5.650 1.00 0.00 C ATOM 527 CG2 VAL A 37 12.882 -1.288 -5.471 1.00 0.00 C ATOM 0 H VAL A 37 12.863 -3.780 -6.314 1.00 0.00 H new ATOM 0 HA VAL A 37 14.110 -4.122 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 37 14.262 -1.583 -3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.549 -1.424 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.884 -2.941 -5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.821 -2.949 -6.526 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.332 -0.349 -5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.512 -1.829 -6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.053 -1.081 -4.794 1.00 0.00 H new ATOM 537 N CYS A 38 11.105 -2.860 -3.497 1.00 0.00 N ATOM 538 CA CYS A 38 10.079 -2.576 -2.500 1.00 0.00 C ATOM 539 C CYS A 38 9.049 -3.700 -2.443 1.00 0.00 C ATOM 540 O CYS A 38 8.468 -3.971 -1.392 1.00 0.00 O ATOM 541 CB CYS A 38 9.386 -1.249 -2.814 1.00 0.00 C ATOM 542 SG CYS A 38 10.225 0.201 -2.133 1.00 0.00 S ATOM 0 H CYS A 38 10.789 -2.777 -4.463 1.00 0.00 H new ATOM 0 HA CYS A 38 10.564 -2.503 -1.527 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.311 -1.138 -3.896 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.368 -1.282 -2.426 1.00 0.00 H new ATOM 0 HG CYS A 38 9.565 1.274 -2.453 1.00 0.00 H new ATOM 548 N ARG A 39 8.827 -4.349 -3.581 1.00 0.00 N ATOM 549 CA ARG A 39 7.866 -5.442 -3.662 1.00 0.00 C ATOM 550 C ARG A 39 7.975 -6.353 -2.443 1.00 0.00 C ATOM 551 O ARG A 39 6.968 -6.711 -1.832 1.00 0.00 O ATOM 552 CB ARG A 39 8.089 -6.253 -4.940 1.00 0.00 C ATOM 553 CG ARG A 39 6.881 -7.075 -5.359 1.00 0.00 C ATOM 554 CD ARG A 39 6.972 -7.496 -6.817 1.00 0.00 C ATOM 555 NE ARG A 39 6.211 -8.714 -7.084 1.00 0.00 N ATOM 556 CZ ARG A 39 6.006 -9.200 -8.303 1.00 0.00 C ATOM 557 NH1 ARG A 39 6.504 -8.576 -9.361 1.00 0.00 N ATOM 558 NH2 ARG A 39 5.303 -10.314 -8.465 1.00 0.00 N ATOM 0 H ARG A 39 9.300 -4.137 -4.460 1.00 0.00 H new ATOM 0 HA ARG A 39 6.865 -5.011 -3.684 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.354 -5.573 -5.750 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.938 -6.920 -4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.805 -7.960 -4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.972 -6.494 -5.203 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.601 -6.691 -7.451 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.017 -7.656 -7.084 1.00 0.00 H new ATOM 0 HE ARG A 39 5.815 -9.219 -6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.046 -7.720 -9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.345 -8.951 -10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.920 -10.798 -7.653 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.146 -10.686 -9.402 1.00 0.00 H new ATOM 572 N GLU A 40 9.203 -6.726 -2.097 1.00 0.00 N ATOM 573 CA GLU A 40 9.442 -7.596 -0.952 1.00 0.00 C ATOM 574 C GLU A 40 8.662 -7.117 0.269 1.00 0.00 C ATOM 575 O GLU A 40 8.036 -7.911 0.971 1.00 0.00 O ATOM 576 CB GLU A 40 10.937 -7.650 -0.627 1.00 0.00 C ATOM 577 CG GLU A 40 11.778 -8.268 -1.731 1.00 0.00 C ATOM 578 CD GLU A 40 11.447 -9.729 -1.967 1.00 0.00 C ATOM 579 OE1 GLU A 40 11.132 -10.432 -0.983 1.00 0.00 O ATOM 580 OE2 GLU A 40 11.504 -10.170 -3.133 1.00 0.00 O ATOM 0 H GLU A 40 10.047 -6.439 -2.593 1.00 0.00 H new ATOM 0 HA GLU A 40 9.097 -8.597 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.295 -6.639 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.080 -8.221 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.625 -7.711 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.833 -8.175 -1.474 1.00 0.00 H new ATOM 587 N LYS A 41 8.705 -5.812 0.516 1.00 0.00 N ATOM 588 CA LYS A 41 8.002 -5.224 1.650 1.00 0.00 C ATOM 589 C LYS A 41 6.495 -5.227 1.418 1.00 0.00 C ATOM 590 O LYS A 41 5.716 -5.480 2.337 1.00 0.00 O ATOM 591 CB LYS A 41 8.489 -3.794 1.892 1.00 0.00 C ATOM 592 CG LYS A 41 9.994 -3.683 2.059 1.00 0.00 C ATOM 593 CD LYS A 41 10.463 -4.346 3.344 1.00 0.00 C ATOM 594 CE LYS A 41 10.435 -3.376 4.514 1.00 0.00 C ATOM 595 NZ LYS A 41 11.355 -3.797 5.606 1.00 0.00 N ATOM 0 H LYS A 41 9.220 -5.141 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 41 8.217 -5.829 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.178 -3.167 1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.003 -3.400 2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.491 -4.147 1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.284 -2.632 2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.827 -5.203 3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.476 -4.727 3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.714 -2.381 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.419 -3.305 4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.307 -3.110 6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.074 -4.736 5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.328 -3.840 5.242 1.00 0.00 H new ATOM 609 N ILE A 42 6.090 -4.947 0.183 1.00 0.00 N ATOM 610 CA ILE A 42 4.676 -4.920 -0.169 1.00 0.00 C ATOM 611 C ILE A 42 4.030 -6.284 0.047 1.00 0.00 C ATOM 612 O ILE A 42 2.884 -6.376 0.486 1.00 0.00 O ATOM 613 CB ILE A 42 4.470 -4.493 -1.635 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.825 -3.016 -1.813 1.00 0.00 C ATOM 615 CG2 ILE A 42 3.034 -4.754 -2.065 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.061 -2.621 -3.254 1.00 0.00 C ATOM 0 H ILE A 42 6.721 -4.736 -0.590 1.00 0.00 H new ATOM 0 HA ILE A 42 4.201 -4.188 0.485 1.00 0.00 H new ATOM 0 HB ILE A 42 5.132 -5.085 -2.267 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.020 -2.405 -1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.720 -2.793 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.904 -4.447 -3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.813 -5.817 -1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.355 -4.185 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.308 -1.561 -3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.886 -3.206 -3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.159 -2.812 -3.836 1.00 0.00 H new ATOM 628 N GLU A 43 4.774 -7.341 -0.263 1.00 0.00 N ATOM 629 CA GLU A 43 4.273 -8.701 -0.101 1.00 0.00 C ATOM 630 C GLU A 43 3.836 -8.952 1.340 1.00 0.00 C ATOM 631 O GLU A 43 3.054 -9.862 1.613 1.00 0.00 O ATOM 632 CB GLU A 43 5.345 -9.715 -0.504 1.00 0.00 C ATOM 633 CG GLU A 43 5.623 -9.746 -1.998 1.00 0.00 C ATOM 634 CD GLU A 43 6.734 -10.711 -2.365 1.00 0.00 C ATOM 635 OE1 GLU A 43 7.891 -10.460 -1.968 1.00 0.00 O ATOM 636 OE2 GLU A 43 6.446 -11.715 -3.048 1.00 0.00 O ATOM 0 H GLU A 43 5.725 -7.282 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 43 3.407 -8.821 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.270 -9.483 0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.034 -10.708 -0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.713 -10.028 -2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.891 -8.745 -2.335 1.00 0.00 H new ATOM 643 N ALA A 44 4.348 -8.138 2.257 1.00 0.00 N ATOM 644 CA ALA A 44 4.010 -8.270 3.669 1.00 0.00 C ATOM 645 C ALA A 44 2.766 -7.459 4.014 1.00 0.00 C ATOM 646 O ALA A 44 1.741 -8.013 4.410 1.00 0.00 O ATOM 647 CB ALA A 44 5.183 -7.835 4.535 1.00 0.00 C ATOM 0 H ALA A 44 4.998 -7.380 2.048 1.00 0.00 H new ATOM 0 HA ALA A 44 3.794 -9.320 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.917 -7.939 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.048 -8.461 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.425 -6.794 4.323 1.00 0.00 H new ATOM 653 N VAL A 45 2.863 -6.142 3.862 1.00 0.00 N ATOM 654 CA VAL A 45 1.745 -5.254 4.157 1.00 0.00 C ATOM 655 C VAL A 45 0.449 -5.780 3.550 1.00 0.00 C ATOM 656 O VAL A 45 -0.643 -5.452 4.012 1.00 0.00 O ATOM 657 CB VAL A 45 2.004 -3.830 3.630 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.024 -3.819 2.109 1.00 0.00 C ATOM 659 CG2 VAL A 45 0.957 -2.865 4.165 1.00 0.00 C ATOM 0 H VAL A 45 3.705 -5.667 3.536 1.00 0.00 H new ATOM 0 HA VAL A 45 1.647 -5.220 5.242 1.00 0.00 H new ATOM 0 HB VAL A 45 2.981 -3.502 3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.208 -2.805 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.815 -4.478 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.063 -4.167 1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.156 -1.864 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.033 -3.187 3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.997 -2.852 5.254 1.00 0.00 H new ATOM 669 N ALA A 46 0.579 -6.600 2.512 1.00 0.00 N ATOM 670 CA ALA A 46 -0.581 -7.175 1.843 1.00 0.00 C ATOM 671 C ALA A 46 -1.120 -8.376 2.612 1.00 0.00 C ATOM 672 O ALA A 46 -2.331 -8.533 2.770 1.00 0.00 O ATOM 673 CB ALA A 46 -0.224 -7.575 0.419 1.00 0.00 C ATOM 0 H ALA A 46 1.476 -6.881 2.116 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.363 -6.417 1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.100 -8.003 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.106 -6.696 -0.134 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.578 -8.313 0.439 1.00 0.00 H new ATOM 679 N THR A 47 -0.213 -9.222 3.090 1.00 0.00 N ATOM 680 CA THR A 47 -0.597 -10.410 3.842 1.00 0.00 C ATOM 681 C THR A 47 -1.038 -10.048 5.255 1.00 0.00 C ATOM 682 O THR A 47 -1.767 -10.801 5.900 1.00 0.00 O ATOM 683 CB THR A 47 0.560 -11.424 3.921 1.00 0.00 C ATOM 684 OG1 THR A 47 0.061 -12.707 4.314 1.00 0.00 O ATOM 685 CG2 THR A 47 1.618 -10.961 4.911 1.00 0.00 C ATOM 0 H THR A 47 0.793 -9.106 2.970 1.00 0.00 H new ATOM 0 HA THR A 47 -1.432 -10.864 3.309 1.00 0.00 H new ATOM 0 HB THR A 47 1.016 -11.499 2.934 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.802 -13.346 4.360 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.425 -11.693 4.950 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.017 -9.998 4.593 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.171 -10.860 5.900 1.00 0.00 H new ATOM 693 N GLU A 48 -0.591 -8.889 5.731 1.00 0.00 N ATOM 694 CA GLU A 48 -0.940 -8.428 7.070 1.00 0.00 C ATOM 695 C GLU A 48 -2.324 -7.785 7.079 1.00 0.00 C ATOM 696 O GLU A 48 -3.110 -7.991 8.005 1.00 0.00 O ATOM 697 CB GLU A 48 0.102 -7.430 7.577 1.00 0.00 C ATOM 698 CG GLU A 48 -0.333 -6.677 8.823 1.00 0.00 C ATOM 699 CD GLU A 48 -0.767 -7.602 9.943 1.00 0.00 C ATOM 700 OE1 GLU A 48 0.117 -8.146 10.638 1.00 0.00 O ATOM 701 OE2 GLU A 48 -1.989 -7.782 10.125 1.00 0.00 O ATOM 0 H GLU A 48 0.013 -8.253 5.210 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.956 -9.293 7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.029 -7.962 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.320 -6.712 6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.490 -6.053 9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.156 -6.008 8.570 1.00 0.00 H new ATOM 708 N LEU A 49 -2.614 -7.004 6.044 1.00 0.00 N ATOM 709 CA LEU A 49 -3.902 -6.329 5.933 1.00 0.00 C ATOM 710 C LEU A 49 -4.939 -7.238 5.281 1.00 0.00 C ATOM 711 O LEU A 49 -6.125 -6.915 5.243 1.00 0.00 O ATOM 712 CB LEU A 49 -3.756 -5.040 5.122 1.00 0.00 C ATOM 713 CG LEU A 49 -2.961 -3.915 5.786 1.00 0.00 C ATOM 714 CD1 LEU A 49 -2.753 -2.763 4.816 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.669 -3.434 7.045 1.00 0.00 C ATOM 0 H LEU A 49 -1.975 -6.823 5.270 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.243 -6.082 6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.279 -5.284 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.753 -4.665 4.890 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.983 -4.305 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.185 -1.972 5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.203 -3.117 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.721 -2.373 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.090 -2.633 7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.660 -3.062 6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.765 -4.262 7.747 1.00 0.00 H new ATOM 727 N ASN A 50 -4.482 -8.377 4.771 1.00 0.00 N ATOM 728 CA ASN A 50 -5.371 -9.335 4.122 1.00 0.00 C ATOM 729 C ASN A 50 -5.951 -8.754 2.837 1.00 0.00 C ATOM 730 O ASN A 50 -7.139 -8.909 2.553 1.00 0.00 O ATOM 731 CB ASN A 50 -6.502 -9.736 5.071 1.00 0.00 C ATOM 732 CG ASN A 50 -6.036 -9.858 6.508 1.00 0.00 C ATOM 733 OD1 ASN A 50 -4.844 -10.014 6.775 1.00 0.00 O ATOM 734 ND2 ASN A 50 -6.976 -9.787 7.443 1.00 0.00 N ATOM 0 H ASN A 50 -3.502 -8.659 4.794 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.788 -10.220 3.868 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.301 -8.996 5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.924 -10.687 4.747 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.722 -9.862 8.428 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.952 -9.657 7.176 1.00 0.00 H new ATOM 741 N VAL A 51 -5.104 -8.084 2.061 1.00 0.00 N ATOM 742 CA VAL A 51 -5.532 -7.481 0.804 1.00 0.00 C ATOM 743 C VAL A 51 -4.620 -7.898 -0.344 1.00 0.00 C ATOM 744 O VAL A 51 -3.416 -8.080 -0.160 1.00 0.00 O ATOM 745 CB VAL A 51 -5.551 -5.944 0.898 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.496 -5.487 1.999 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.147 -5.407 1.132 1.00 0.00 C ATOM 0 H VAL A 51 -4.118 -7.945 2.281 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.543 -7.839 0.609 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.915 -5.544 -0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.496 -4.398 2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.504 -5.840 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.166 -5.895 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.179 -4.319 1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.752 -5.814 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.502 -5.703 0.305 1.00 0.00 H new ATOM 757 N ASP A 52 -5.201 -8.049 -1.529 1.00 0.00 N ATOM 758 CA ASP A 52 -4.441 -8.443 -2.709 1.00 0.00 C ATOM 759 C ASP A 52 -3.250 -7.514 -2.924 1.00 0.00 C ATOM 760 O ASP A 52 -3.382 -6.292 -2.843 1.00 0.00 O ATOM 761 CB ASP A 52 -5.339 -8.436 -3.947 1.00 0.00 C ATOM 762 CG ASP A 52 -6.027 -9.769 -4.171 1.00 0.00 C ATOM 763 OD1 ASP A 52 -6.555 -10.336 -3.191 1.00 0.00 O ATOM 764 OD2 ASP A 52 -6.036 -10.245 -5.325 1.00 0.00 O ATOM 0 H ASP A 52 -6.196 -7.904 -1.698 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.066 -9.454 -2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.092 -7.655 -3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.742 -8.187 -4.824 1.00 0.00 H new ATOM 769 N CYS A 53 -2.090 -8.101 -3.197 1.00 0.00 N ATOM 770 CA CYS A 53 -0.876 -7.326 -3.422 1.00 0.00 C ATOM 771 C CYS A 53 -1.174 -6.073 -4.239 1.00 0.00 C ATOM 772 O CYS A 53 -0.627 -5.003 -3.973 1.00 0.00 O ATOM 773 CB CYS A 53 0.173 -8.178 -4.137 1.00 0.00 C ATOM 774 SG CYS A 53 -0.411 -8.932 -5.673 1.00 0.00 S ATOM 0 H CYS A 53 -1.965 -9.111 -3.268 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.485 -7.020 -2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.041 -7.557 -4.357 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.507 -8.966 -3.462 1.00 0.00 H new ATOM 0 HG CYS A 53 0.547 -9.631 -6.205 1.00 0.00 H new ATOM 780 N GLU A 54 -2.043 -6.215 -5.235 1.00 0.00 N ATOM 781 CA GLU A 54 -2.411 -5.094 -6.092 1.00 0.00 C ATOM 782 C GLU A 54 -2.971 -3.939 -5.267 1.00 0.00 C ATOM 783 O GLU A 54 -2.649 -2.776 -5.510 1.00 0.00 O ATOM 784 CB GLU A 54 -3.440 -5.537 -7.134 1.00 0.00 C ATOM 785 CG GLU A 54 -2.969 -6.692 -8.001 1.00 0.00 C ATOM 786 CD GLU A 54 -4.119 -7.469 -8.612 1.00 0.00 C ATOM 787 OE1 GLU A 54 -5.076 -7.790 -7.877 1.00 0.00 O ATOM 788 OE2 GLU A 54 -4.061 -7.757 -9.826 1.00 0.00 O ATOM 0 H GLU A 54 -2.505 -7.094 -5.468 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.512 -4.750 -6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.359 -5.827 -6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.685 -4.689 -7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.332 -6.307 -8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.358 -7.366 -7.401 1.00 0.00 H new ATOM 795 N ILE A 55 -3.811 -4.269 -4.292 1.00 0.00 N ATOM 796 CA ILE A 55 -4.416 -3.260 -3.431 1.00 0.00 C ATOM 797 C ILE A 55 -3.361 -2.311 -2.872 1.00 0.00 C ATOM 798 O ILE A 55 -3.603 -1.113 -2.728 1.00 0.00 O ATOM 799 CB ILE A 55 -5.182 -3.905 -2.261 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.292 -4.816 -2.790 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.760 -2.831 -1.351 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.246 -4.120 -3.736 1.00 0.00 C ATOM 0 H ILE A 55 -4.088 -5.227 -4.078 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.117 -2.698 -4.047 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.486 -4.511 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.840 -5.665 -3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.856 -5.215 -1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.299 -3.302 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.951 -2.219 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.445 -2.202 -1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.006 -4.826 -4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.726 -3.287 -3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.694 -3.745 -4.598 1.00 0.00 H new ATOM 814 N VAL A 56 -2.189 -2.855 -2.560 1.00 0.00 N ATOM 815 CA VAL A 56 -1.096 -2.057 -2.019 1.00 0.00 C ATOM 816 C VAL A 56 -0.269 -1.429 -3.136 1.00 0.00 C ATOM 817 O VAL A 56 -0.226 -0.207 -3.278 1.00 0.00 O ATOM 818 CB VAL A 56 -0.171 -2.904 -1.125 1.00 0.00 C ATOM 819 CG1 VAL A 56 1.020 -2.081 -0.656 1.00 0.00 C ATOM 820 CG2 VAL A 56 -0.943 -3.463 0.060 1.00 0.00 C ATOM 0 H VAL A 56 -1.972 -3.845 -2.673 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.548 -1.268 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 56 0.206 -3.741 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.662 -2.696 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.586 -1.734 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.667 -1.222 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.274 -4.059 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.350 -2.641 0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.759 -4.090 -0.300 1.00 0.00 H new ATOM 830 N ARG A 57 0.385 -2.273 -3.927 1.00 0.00 N ATOM 831 CA ARG A 57 1.211 -1.801 -5.031 1.00 0.00 C ATOM 832 C ARG A 57 0.548 -0.625 -5.742 1.00 0.00 C ATOM 833 O ARG A 57 1.223 0.298 -6.202 1.00 0.00 O ATOM 834 CB ARG A 57 1.465 -2.935 -6.027 1.00 0.00 C ATOM 835 CG ARG A 57 2.710 -3.749 -5.718 1.00 0.00 C ATOM 836 CD ARG A 57 3.004 -4.757 -6.818 1.00 0.00 C ATOM 837 NE ARG A 57 2.763 -4.202 -8.148 1.00 0.00 N ATOM 838 CZ ARG A 57 1.572 -4.189 -8.734 1.00 0.00 C ATOM 839 NH1 ARG A 57 0.517 -4.698 -8.112 1.00 0.00 N ATOM 840 NH2 ARG A 57 1.433 -3.666 -9.946 1.00 0.00 N ATOM 0 H ARG A 57 0.359 -3.287 -3.824 1.00 0.00 H new ATOM 0 HA ARG A 57 2.164 -1.466 -4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.600 -3.599 -6.037 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.556 -2.514 -7.028 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.563 -3.081 -5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.579 -4.271 -4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.042 -5.082 -6.744 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.382 -5.641 -6.676 1.00 0.00 H new ATOM 0 HE ARG A 57 3.553 -3.803 -8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.619 -5.101 -7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.397 -4.686 -8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.242 -3.274 -10.428 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.517 -3.657 -10.395 1.00 0.00 H new ATOM 854 N THR A 58 -0.778 -0.663 -5.829 1.00 0.00 N ATOM 855 CA THR A 58 -1.532 0.398 -6.484 1.00 0.00 C ATOM 856 C THR A 58 -1.583 1.652 -5.619 1.00 0.00 C ATOM 857 O THR A 58 -1.494 2.770 -6.125 1.00 0.00 O ATOM 858 CB THR A 58 -2.971 -0.050 -6.804 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.948 -1.234 -7.609 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.731 1.049 -7.530 1.00 0.00 C ATOM 0 H THR A 58 -1.352 -1.418 -5.454 1.00 0.00 H new ATOM 0 HA THR A 58 -1.014 0.624 -7.416 1.00 0.00 H new ATOM 0 HB THR A 58 -3.480 -0.261 -5.864 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.061 -2.021 -7.036 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.744 0.710 -7.745 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.772 1.939 -6.902 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.222 1.287 -8.464 1.00 0.00 H new ATOM 868 N TRP A 59 -1.724 1.458 -4.313 1.00 0.00 N ATOM 869 CA TRP A 59 -1.786 2.574 -3.377 1.00 0.00 C ATOM 870 C TRP A 59 -0.494 3.384 -3.409 1.00 0.00 C ATOM 871 O TRP A 59 -0.517 4.610 -3.300 1.00 0.00 O ATOM 872 CB TRP A 59 -2.047 2.064 -1.959 1.00 0.00 C ATOM 873 CG TRP A 59 -1.902 3.125 -0.910 1.00 0.00 C ATOM 874 CD1 TRP A 59 -2.871 3.982 -0.471 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.718 3.441 -0.169 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.360 4.812 0.497 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.042 4.500 0.701 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.583 2.932 -0.155 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.111 5.058 1.574 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.506 3.487 0.711 1.00 0.00 C ATOM 881 CH2 TRP A 59 1.155 4.540 1.566 1.00 0.00 C ATOM 0 H TRP A 59 -1.798 0.538 -3.878 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.608 3.223 -3.679 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.054 1.649 -1.909 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.356 1.250 -1.740 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.889 4.004 -0.832 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.878 5.543 0.985 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.862 2.119 -0.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.379 5.870 2.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.515 3.102 0.729 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.899 4.951 2.232 1.00 0.00 H new ATOM 892 N ILE A 60 0.629 2.691 -3.560 1.00 0.00 N ATOM 893 CA ILE A 60 1.930 3.347 -3.608 1.00 0.00 C ATOM 894 C ILE A 60 2.026 4.292 -4.801 1.00 0.00 C ATOM 895 O ILE A 60 2.165 5.503 -4.638 1.00 0.00 O ATOM 896 CB ILE A 60 3.076 2.321 -3.687 1.00 0.00 C ATOM 897 CG1 ILE A 60 3.052 1.402 -2.464 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.417 3.031 -3.797 1.00 0.00 C ATOM 899 CD1 ILE A 60 3.907 0.164 -2.621 1.00 0.00 C ATOM 0 H ILE A 60 0.665 1.676 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 60 2.028 3.919 -2.685 1.00 0.00 H new ATOM 0 HB ILE A 60 2.936 1.711 -4.579 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.393 1.961 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.023 1.101 -2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.216 2.292 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.430 3.647 -4.696 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.567 3.663 -2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.842 -0.440 -1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.553 -0.417 -3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.944 0.457 -2.788 1.00 0.00 H new ATOM 911 N GLY A 61 1.948 3.728 -6.003 1.00 0.00 N ATOM 912 CA GLY A 61 2.026 4.535 -7.207 1.00 0.00 C ATOM 913 C GLY A 61 1.113 5.744 -7.155 1.00 0.00 C ATOM 914 O GLY A 61 1.507 6.845 -7.536 1.00 0.00 O ATOM 0 H GLY A 61 1.832 2.727 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.054 4.866 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.763 3.922 -8.069 1.00 0.00 H new ATOM 918 N ASN A 62 -0.112 5.538 -6.682 1.00 0.00 N ATOM 919 CA ASN A 62 -1.085 6.620 -6.584 1.00 0.00 C ATOM 920 C ASN A 62 -0.634 7.666 -5.569 1.00 0.00 C ATOM 921 O ASN A 62 -0.455 8.837 -5.907 1.00 0.00 O ATOM 922 CB ASN A 62 -2.456 6.067 -6.189 1.00 0.00 C ATOM 923 CG ASN A 62 -3.217 5.508 -7.375 1.00 0.00 C ATOM 924 OD1 ASN A 62 -4.328 5.945 -7.676 1.00 0.00 O ATOM 925 ND2 ASN A 62 -2.622 4.534 -8.054 1.00 0.00 N ATOM 0 H ASN A 62 -0.454 4.632 -6.361 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.161 7.097 -7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.327 5.284 -5.442 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.044 6.858 -5.724 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.087 4.117 -8.861 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.700 4.203 -7.769 1.00 0.00 H new ATOM 932 N ARG A 63 -0.453 7.236 -4.325 1.00 0.00 N ATOM 933 CA ARG A 63 -0.024 8.135 -3.261 1.00 0.00 C ATOM 934 C ARG A 63 1.122 9.027 -3.731 1.00 0.00 C ATOM 935 O ARG A 63 1.048 10.252 -3.634 1.00 0.00 O ATOM 936 CB ARG A 63 0.411 7.334 -2.032 1.00 0.00 C ATOM 937 CG ARG A 63 0.942 8.197 -0.899 1.00 0.00 C ATOM 938 CD ARG A 63 -0.179 8.951 -0.200 1.00 0.00 C ATOM 939 NE ARG A 63 -0.915 8.098 0.729 1.00 0.00 N ATOM 940 CZ ARG A 63 -1.714 8.567 1.681 1.00 0.00 C ATOM 941 NH1 ARG A 63 -1.880 9.874 1.828 1.00 0.00 N ATOM 942 NH2 ARG A 63 -2.350 7.727 2.489 1.00 0.00 N ATOM 0 H ARG A 63 -0.597 6.271 -4.029 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.869 8.769 -2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.437 6.753 -1.668 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.182 6.622 -2.327 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.465 7.570 -0.177 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.670 8.907 -1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.238 9.801 0.340 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.866 9.353 -0.945 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.810 7.087 0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.394 10.523 1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.494 10.231 2.560 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.225 6.721 2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.963 8.088 3.220 1.00 0.00 H new ATOM 956 N ARG A 64 2.179 8.404 -4.241 1.00 0.00 N ATOM 957 CA ARG A 64 3.340 9.141 -4.725 1.00 0.00 C ATOM 958 C ARG A 64 2.916 10.440 -5.403 1.00 0.00 C ATOM 959 O ARG A 64 3.336 11.526 -5.005 1.00 0.00 O ATOM 960 CB ARG A 64 4.145 8.282 -5.701 1.00 0.00 C ATOM 961 CG ARG A 64 5.094 7.310 -5.019 1.00 0.00 C ATOM 962 CD ARG A 64 5.471 6.160 -5.939 1.00 0.00 C ATOM 963 NE ARG A 64 6.035 6.631 -7.202 1.00 0.00 N ATOM 964 CZ ARG A 64 7.271 7.101 -7.324 1.00 0.00 C ATOM 965 NH1 ARG A 64 8.069 7.162 -6.267 1.00 0.00 N ATOM 966 NH2 ARG A 64 7.712 7.512 -8.507 1.00 0.00 N ATOM 0 H ARG A 64 2.255 7.391 -4.330 1.00 0.00 H new ATOM 0 HA ARG A 64 3.966 9.387 -3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.455 7.721 -6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.719 8.935 -6.359 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.995 7.838 -4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.627 6.917 -4.116 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.193 5.516 -5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.589 5.553 -6.140 1.00 0.00 H new ATOM 0 HE ARG A 64 5.447 6.597 -8.035 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.734 6.847 -5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.018 7.524 -6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.101 7.467 -9.323 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.661 7.873 -8.600 1.00 0.00 H new