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 Set 1.1: A 29 ASN : amide:sc= -0.225 X(o=-0.5,f=-0.24) USER MOD Set 1.2: A 41 LYS NZ :NH3+ -109:sc= -0.279 (180deg=-0.306) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -160:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 147:sc= -2.41 (180deg=-6.22!) 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 -60:sc= -2.33 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 53 CYS SG : rot -159:sc= 1.3 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 179 N PHE A 15 -9.289 4.101 2.623 1.00 0.00 N ATOM 180 CA PHE A 15 -8.542 3.391 3.655 1.00 0.00 C ATOM 181 C PHE A 15 -8.708 4.071 5.011 1.00 0.00 C ATOM 182 O PHE A 15 -8.417 5.258 5.162 1.00 0.00 O ATOM 183 CB PHE A 15 -7.059 3.322 3.284 1.00 0.00 C ATOM 184 CG PHE A 15 -6.739 2.241 2.291 1.00 0.00 C ATOM 185 CD1 PHE A 15 -7.108 0.928 2.535 1.00 0.00 C ATOM 186 CD2 PHE A 15 -6.070 2.538 1.115 1.00 0.00 C ATOM 187 CE1 PHE A 15 -6.814 -0.069 1.624 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.774 1.546 0.200 1.00 0.00 C ATOM 189 CZ PHE A 15 -6.147 0.241 0.454 1.00 0.00 C ATOM 0 HA PHE A 15 -8.939 2.378 3.725 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.750 4.284 2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.474 3.158 4.189 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.631 0.681 3.447 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.776 3.557 0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.105 -1.089 1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.251 1.791 -0.713 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.918 -0.536 -0.260 1.00 0.00 H new ATOM 199 N SER A 16 -9.178 3.310 5.994 1.00 0.00 N ATOM 200 CA SER A 16 -9.387 3.839 7.337 1.00 0.00 C ATOM 201 C SER A 16 -8.054 4.080 8.039 1.00 0.00 C ATOM 202 O SER A 16 -7.075 3.374 7.795 1.00 0.00 O ATOM 203 CB SER A 16 -10.244 2.875 8.159 1.00 0.00 C ATOM 204 OG SER A 16 -10.813 3.529 9.280 1.00 0.00 O ATOM 0 H SER A 16 -9.421 2.325 5.886 1.00 0.00 H new ATOM 0 HA SER A 16 -9.908 4.792 7.249 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.036 2.463 7.533 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.634 2.036 8.494 1.00 0.00 H new ATOM 0 HG SER A 16 -11.358 2.892 9.788 1.00 0.00 H new ATOM 210 N ASP A 17 -8.025 5.080 8.913 1.00 0.00 N ATOM 211 CA ASP A 17 -6.814 5.414 9.653 1.00 0.00 C ATOM 212 C ASP A 17 -6.050 4.153 10.043 1.00 0.00 C ATOM 213 O ASP A 17 -4.873 4.003 9.717 1.00 0.00 O ATOM 214 CB ASP A 17 -7.162 6.223 10.904 1.00 0.00 C ATOM 215 CG ASP A 17 -6.049 6.205 11.933 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.933 5.200 12.664 1.00 0.00 O ATOM 217 OD2 ASP A 17 -5.293 7.197 12.007 1.00 0.00 O ATOM 0 H ASP A 17 -8.827 5.674 9.126 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.177 6.017 9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.373 7.254 10.619 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.072 5.823 11.350 1.00 0.00 H new ATOM 222 N ARG A 18 -6.728 3.250 10.744 1.00 0.00 N ATOM 223 CA ARG A 18 -6.113 2.003 11.181 1.00 0.00 C ATOM 224 C ARG A 18 -5.440 1.290 10.012 1.00 0.00 C ATOM 225 O ARG A 18 -4.298 0.842 10.119 1.00 0.00 O ATOM 226 CB ARG A 18 -7.161 1.087 11.816 1.00 0.00 C ATOM 227 CG ARG A 18 -7.440 1.401 13.276 1.00 0.00 C ATOM 228 CD ARG A 18 -8.216 2.700 13.428 1.00 0.00 C ATOM 229 NE ARG A 18 -8.364 3.089 14.829 1.00 0.00 N ATOM 230 CZ ARG A 18 -9.059 4.147 15.228 1.00 0.00 C ATOM 231 NH1 ARG A 18 -9.668 4.919 14.338 1.00 0.00 N ATOM 232 NH2 ARG A 18 -9.147 4.436 16.520 1.00 0.00 N ATOM 0 H ARG A 18 -7.704 3.359 11.021 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.353 2.243 11.924 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.090 1.167 11.252 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.826 0.053 11.733 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.005 0.584 13.723 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.498 1.473 13.820 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.704 3.494 12.884 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.202 2.588 12.977 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.908 2.516 15.539 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.603 4.700 13.344 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.201 5.731 14.648 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.680 3.845 17.208 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.681 5.249 16.825 1.00 0.00 H new ATOM 246 N ASP A 19 -6.155 1.188 8.897 1.00 0.00 N ATOM 247 CA ASP A 19 -5.627 0.530 7.707 1.00 0.00 C ATOM 248 C ASP A 19 -4.366 1.232 7.213 1.00 0.00 C ATOM 249 O ASP A 19 -3.333 0.597 6.998 1.00 0.00 O ATOM 250 CB ASP A 19 -6.681 0.509 6.600 1.00 0.00 C ATOM 251 CG ASP A 19 -7.946 -0.214 7.019 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.886 -1.444 7.229 1.00 0.00 O ATOM 253 OD2 ASP A 19 -8.997 0.450 7.138 1.00 0.00 O ATOM 0 H ASP A 19 -7.102 1.553 8.792 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.370 -0.496 7.972 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.928 1.532 6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.266 0.026 5.716 1.00 0.00 H new ATOM 258 N LEU A 20 -4.458 2.545 7.033 1.00 0.00 N ATOM 259 CA LEU A 20 -3.325 3.334 6.562 1.00 0.00 C ATOM 260 C LEU A 20 -2.106 3.122 7.454 1.00 0.00 C ATOM 261 O LEU A 20 -1.006 2.860 6.968 1.00 0.00 O ATOM 262 CB LEU A 20 -3.692 4.818 6.524 1.00 0.00 C ATOM 263 CG LEU A 20 -4.532 5.272 5.330 1.00 0.00 C ATOM 264 CD1 LEU A 20 -5.020 6.698 5.531 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.732 5.157 4.040 1.00 0.00 C ATOM 0 H LEU A 20 -5.305 3.086 7.206 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.077 3.002 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.235 5.061 7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.770 5.400 6.536 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.402 4.620 5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.616 7.003 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.631 6.750 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.164 7.364 5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.346 5.484 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.843 5.784 4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.433 4.120 3.888 1.00 0.00 H new ATOM 277 N ALA A 21 -2.309 3.237 8.762 1.00 0.00 N ATOM 278 CA ALA A 21 -1.228 3.054 9.723 1.00 0.00 C ATOM 279 C ALA A 21 -0.249 1.985 9.250 1.00 0.00 C ATOM 280 O ALA A 21 0.951 2.236 9.131 1.00 0.00 O ATOM 281 CB ALA A 21 -1.791 2.690 11.088 1.00 0.00 C ATOM 0 H ALA A 21 -3.213 3.456 9.181 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.685 3.996 9.806 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.973 2.556 11.795 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.445 3.489 11.437 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.359 1.763 11.012 1.00 0.00 H new ATOM 287 N THR A 22 -0.768 0.791 8.981 1.00 0.00 N ATOM 288 CA THR A 22 0.061 -0.317 8.523 1.00 0.00 C ATOM 289 C THR A 22 0.847 0.064 7.274 1.00 0.00 C ATOM 290 O THR A 22 2.057 -0.156 7.198 1.00 0.00 O ATOM 291 CB THR A 22 -0.788 -1.566 8.221 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.503 -1.969 9.394 1.00 0.00 O ATOM 293 CG2 THR A 22 0.088 -2.712 7.737 1.00 0.00 C ATOM 0 H THR A 22 -1.759 0.567 9.072 1.00 0.00 H new ATOM 0 HA THR A 22 0.757 -0.546 9.330 1.00 0.00 H new ATOM 0 HB THR A 22 -1.497 -1.313 7.433 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.777 -2.906 9.304 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.534 -3.583 7.530 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.608 -2.413 6.827 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.818 -2.962 8.507 1.00 0.00 H new ATOM 301 N LEU A 23 0.154 0.637 6.297 1.00 0.00 N ATOM 302 CA LEU A 23 0.788 1.050 5.049 1.00 0.00 C ATOM 303 C LEU A 23 1.878 2.084 5.310 1.00 0.00 C ATOM 304 O LEU A 23 3.054 1.846 5.034 1.00 0.00 O ATOM 305 CB LEU A 23 -0.256 1.623 4.089 1.00 0.00 C ATOM 306 CG LEU A 23 -0.987 0.608 3.210 1.00 0.00 C ATOM 307 CD1 LEU A 23 -2.246 1.224 2.619 1.00 0.00 C ATOM 308 CD2 LEU A 23 -0.071 0.100 2.106 1.00 0.00 C ATOM 0 H LEU A 23 -0.847 0.827 6.344 1.00 0.00 H new ATOM 0 HA LEU A 23 1.247 0.172 4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.997 2.168 4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.235 2.348 3.440 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.278 -0.239 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.754 0.487 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.910 1.538 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.978 2.089 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.608 -0.621 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.251 0.937 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.802 -0.380 2.549 1.00 0.00 H new ATOM 320 N LYS A 24 1.481 3.234 5.844 1.00 0.00 N ATOM 321 CA LYS A 24 2.423 4.305 6.146 1.00 0.00 C ATOM 322 C LYS A 24 3.656 3.759 6.858 1.00 0.00 C ATOM 323 O LYS A 24 4.776 4.213 6.620 1.00 0.00 O ATOM 324 CB LYS A 24 1.752 5.374 7.011 1.00 0.00 C ATOM 325 CG LYS A 24 1.071 6.468 6.207 1.00 0.00 C ATOM 326 CD LYS A 24 0.194 7.343 7.086 1.00 0.00 C ATOM 327 CE LYS A 24 1.027 8.253 7.976 1.00 0.00 C ATOM 328 NZ LYS A 24 0.179 9.036 8.917 1.00 0.00 N ATOM 0 H LYS A 24 0.511 3.448 6.077 1.00 0.00 H new ATOM 0 HA LYS A 24 2.738 4.755 5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.015 4.897 7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.501 5.826 7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.825 7.084 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.465 6.019 5.420 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.463 7.947 6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.446 6.714 7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.740 7.654 8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.607 8.936 7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.784 9.644 9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.484 9.627 8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.355 8.385 9.527 1.00 0.00 H new ATOM 342 N LYS A 25 3.445 2.782 7.733 1.00 0.00 N ATOM 343 CA LYS A 25 4.539 2.172 8.479 1.00 0.00 C ATOM 344 C LYS A 25 5.690 1.800 7.550 1.00 0.00 C ATOM 345 O LYS A 25 6.833 2.202 7.770 1.00 0.00 O ATOM 346 CB LYS A 25 4.046 0.928 9.221 1.00 0.00 C ATOM 347 CG LYS A 25 5.026 0.411 10.260 1.00 0.00 C ATOM 348 CD LYS A 25 4.327 -0.424 11.319 1.00 0.00 C ATOM 349 CE LYS A 25 5.244 -0.708 12.500 1.00 0.00 C ATOM 350 NZ LYS A 25 4.533 -1.426 13.594 1.00 0.00 N ATOM 0 H LYS A 25 2.525 2.395 7.943 1.00 0.00 H new ATOM 0 HA LYS A 25 4.902 2.900 9.204 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.099 1.158 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.847 0.138 8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.794 -0.189 9.771 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.532 1.252 10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.436 0.099 11.666 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.994 -1.365 10.881 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.093 -1.305 12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.645 0.231 12.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.191 -1.601 14.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.738 -0.846 13.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.172 -2.333 13.236 1.00 0.00 H new ATOM 364 N TYR A 26 5.381 1.032 6.511 1.00 0.00 N ATOM 365 CA TYR A 26 6.390 0.605 5.549 1.00 0.00 C ATOM 366 C TYR A 26 6.903 1.790 4.736 1.00 0.00 C ATOM 367 O TYR A 26 8.074 1.838 4.359 1.00 0.00 O ATOM 368 CB TYR A 26 5.815 -0.460 4.614 1.00 0.00 C ATOM 369 CG TYR A 26 5.777 -1.843 5.222 1.00 0.00 C ATOM 370 CD1 TYR A 26 4.705 -2.248 6.008 1.00 0.00 C ATOM 371 CD2 TYR A 26 6.812 -2.746 5.010 1.00 0.00 C ATOM 372 CE1 TYR A 26 4.666 -3.511 6.567 1.00 0.00 C ATOM 373 CE2 TYR A 26 6.780 -4.011 5.563 1.00 0.00 C ATOM 374 CZ TYR A 26 5.706 -4.389 6.341 1.00 0.00 C ATOM 375 OH TYR A 26 5.670 -5.649 6.894 1.00 0.00 O ATOM 0 H TYR A 26 4.440 0.692 6.313 1.00 0.00 H new ATOM 0 HA TYR A 26 7.226 0.179 6.103 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.804 -0.171 4.326 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.410 -0.490 3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.888 -1.564 6.185 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.656 -2.453 4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.826 -3.809 7.177 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.592 -4.701 5.387 1.00 0.00 H new ATOM 0 HH TYR A 26 6.477 -6.142 6.638 1.00 0.00 H new ATOM 385 N TRP A 27 6.017 2.743 4.470 1.00 0.00 N ATOM 386 CA TRP A 27 6.379 3.929 3.702 1.00 0.00 C ATOM 387 C TRP A 27 7.579 4.635 4.323 1.00 0.00 C ATOM 388 O TRP A 27 8.386 5.243 3.620 1.00 0.00 O ATOM 389 CB TRP A 27 5.192 4.891 3.620 1.00 0.00 C ATOM 390 CG TRP A 27 5.518 6.179 2.927 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.319 7.181 3.394 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.048 6.604 1.642 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.376 8.204 2.478 1.00 0.00 N ATOM 394 CE2 TRP A 27 5.606 7.873 1.394 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.214 6.034 0.677 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.353 8.581 0.222 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.963 6.738 -0.486 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.532 7.999 -0.706 1.00 0.00 C ATOM 0 H TRP A 27 5.044 2.718 4.774 1.00 0.00 H new ATOM 0 HA TRP A 27 6.650 3.610 2.695 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.372 4.401 3.094 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.839 5.108 4.628 1.00 0.00 H new ATOM 0 HD1 TRP A 27 6.833 7.171 4.344 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.905 9.069 2.587 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.773 5.061 0.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 5.789 9.554 0.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.317 6.309 -1.238 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.319 8.523 -1.626 1.00 0.00 H new ATOM 409 N ASP A 28 7.691 4.551 5.644 1.00 0.00 N ATOM 410 CA ASP A 28 8.794 5.181 6.360 1.00 0.00 C ATOM 411 C ASP A 28 10.133 4.599 5.916 1.00 0.00 C ATOM 412 O ASP A 28 11.188 5.173 6.182 1.00 0.00 O ATOM 413 CB ASP A 28 8.620 5.000 7.869 1.00 0.00 C ATOM 414 CG ASP A 28 9.614 5.820 8.668 1.00 0.00 C ATOM 415 OD1 ASP A 28 10.775 5.379 8.803 1.00 0.00 O ATOM 416 OD2 ASP A 28 9.231 6.902 9.159 1.00 0.00 O ATOM 0 H ASP A 28 7.031 4.053 6.241 1.00 0.00 H new ATOM 0 HA ASP A 28 8.786 6.246 6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.607 5.286 8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.736 3.946 8.122 1.00 0.00 H new ATOM 421 N ASN A 29 10.080 3.456 5.240 1.00 0.00 N ATOM 422 CA ASN A 29 11.289 2.796 4.761 1.00 0.00 C ATOM 423 C ASN A 29 11.461 2.999 3.258 1.00 0.00 C ATOM 424 O ASN A 29 12.134 2.217 2.589 1.00 0.00 O ATOM 425 CB ASN A 29 11.240 1.301 5.082 1.00 0.00 C ATOM 426 CG ASN A 29 12.622 0.700 5.252 1.00 0.00 C ATOM 427 OD1 ASN A 29 13.610 1.237 4.751 1.00 0.00 O ATOM 428 ND2 ASN A 29 12.697 -0.419 5.963 1.00 0.00 N ATOM 0 H ASN A 29 9.214 2.968 5.012 1.00 0.00 H new ATOM 0 HA ASN A 29 12.143 3.243 5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.665 1.147 5.995 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.715 0.778 4.283 1.00 0.00 H new ATOM 0 HD21 ASN A 29 13.600 -0.869 6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.851 -0.829 6.360 1.00 0.00 H new ATOM 435 N GLY A 30 10.847 4.057 2.736 1.00 0.00 N ATOM 436 CA GLY A 30 10.945 4.345 1.317 1.00 0.00 C ATOM 437 C GLY A 30 10.073 3.431 0.478 1.00 0.00 C ATOM 438 O GLY A 30 10.425 3.091 -0.651 1.00 0.00 O ATOM 0 H GLY A 30 10.284 4.719 3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.657 5.381 1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.983 4.244 1.000 1.00 0.00 H new ATOM 442 N MET A 31 8.933 3.032 1.032 1.00 0.00 N ATOM 443 CA MET A 31 8.008 2.152 0.328 1.00 0.00 C ATOM 444 C MET A 31 7.237 2.918 -0.743 1.00 0.00 C ATOM 445 O MET A 31 6.012 2.823 -0.828 1.00 0.00 O ATOM 446 CB MET A 31 7.032 1.507 1.314 1.00 0.00 C ATOM 447 CG MET A 31 6.552 0.131 0.882 1.00 0.00 C ATOM 448 SD MET A 31 4.949 -0.298 1.587 1.00 0.00 S ATOM 449 CE MET A 31 3.931 1.027 0.943 1.00 0.00 C ATOM 0 H MET A 31 8.628 3.304 1.966 1.00 0.00 H new ATOM 0 HA MET A 31 8.590 1.369 -0.159 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.514 1.425 2.288 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.169 2.161 1.439 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.487 0.098 -0.206 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.287 -0.616 1.180 1.00 0.00 H new ATOM 0 HE1 MET A 31 2.922 0.656 0.763 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.894 1.842 1.666 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.356 1.391 0.008 1.00 0.00 H new ATOM 459 N THR A 32 7.961 3.678 -1.558 1.00 0.00 N ATOM 460 CA THR A 32 7.345 4.461 -2.621 1.00 0.00 C ATOM 461 C THR A 32 7.812 3.989 -3.993 1.00 0.00 C ATOM 462 O THR A 32 8.066 4.799 -4.886 1.00 0.00 O ATOM 463 CB THR A 32 7.663 5.961 -2.471 1.00 0.00 C ATOM 464 OG1 THR A 32 9.065 6.185 -2.659 1.00 0.00 O ATOM 465 CG2 THR A 32 7.242 6.469 -1.100 1.00 0.00 C ATOM 0 H THR A 32 8.975 3.768 -1.502 1.00 0.00 H new ATOM 0 HA THR A 32 6.268 4.315 -2.537 1.00 0.00 H new ATOM 0 HB THR A 32 7.103 6.507 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.259 7.141 -2.564 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.476 7.530 -1.017 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.169 6.323 -0.972 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.778 5.918 -0.327 1.00 0.00 H new ATOM 473 N SER A 33 7.922 2.675 -4.156 1.00 0.00 N ATOM 474 CA SER A 33 8.362 2.095 -5.420 1.00 0.00 C ATOM 475 C SER A 33 7.562 0.838 -5.748 1.00 0.00 C ATOM 476 O SER A 33 7.185 0.077 -4.855 1.00 0.00 O ATOM 477 CB SER A 33 9.854 1.763 -5.361 1.00 0.00 C ATOM 478 OG SER A 33 10.639 2.943 -5.347 1.00 0.00 O ATOM 0 H SER A 33 7.713 1.991 -3.429 1.00 0.00 H new ATOM 0 HA SER A 33 8.192 2.829 -6.207 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.063 1.173 -4.469 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.128 1.151 -6.220 1.00 0.00 H new ATOM 0 HG SER A 33 11.589 2.704 -5.307 1.00 0.00 H new ATOM 484 N LEU A 34 7.307 0.625 -7.034 1.00 0.00 N ATOM 485 CA LEU A 34 6.553 -0.540 -7.482 1.00 0.00 C ATOM 486 C LEU A 34 7.483 -1.716 -7.763 1.00 0.00 C ATOM 487 O LEU A 34 7.130 -2.870 -7.525 1.00 0.00 O ATOM 488 CB LEU A 34 5.749 -0.199 -8.739 1.00 0.00 C ATOM 489 CG LEU A 34 4.501 0.659 -8.525 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.231 1.522 -9.748 1.00 0.00 C ATOM 491 CD2 LEU A 34 3.298 -0.219 -8.213 1.00 0.00 C ATOM 0 H LEU A 34 7.612 1.244 -7.785 1.00 0.00 H new ATOM 0 HA LEU A 34 5.867 -0.826 -6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.406 0.319 -9.437 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.447 -1.131 -9.217 1.00 0.00 H new ATOM 0 HG LEU A 34 4.676 1.316 -7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.339 2.126 -9.578 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.084 2.177 -9.927 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.076 0.883 -10.617 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.419 0.408 -8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.120 -0.901 -9.044 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.492 -0.794 -7.307 1.00 0.00 H new ATOM 503 N GLY A 35 8.674 -1.414 -8.271 1.00 0.00 N ATOM 504 CA GLY A 35 9.637 -2.456 -8.574 1.00 0.00 C ATOM 505 C GLY A 35 9.814 -3.432 -7.428 1.00 0.00 C ATOM 506 O GLY A 35 9.286 -3.222 -6.336 1.00 0.00 O ATOM 0 H GLY A 35 8.989 -0.466 -8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.314 -2.998 -9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.598 -2.000 -8.811 1.00 0.00 H new ATOM 510 N SER A 36 10.559 -4.505 -7.676 1.00 0.00 N ATOM 511 CA SER A 36 10.800 -5.521 -6.658 1.00 0.00 C ATOM 512 C SER A 36 11.477 -4.912 -5.434 1.00 0.00 C ATOM 513 O SER A 36 11.211 -5.312 -4.300 1.00 0.00 O ATOM 514 CB SER A 36 11.665 -6.648 -7.226 1.00 0.00 C ATOM 515 OG SER A 36 12.812 -6.131 -7.879 1.00 0.00 O ATOM 0 H SER A 36 11.006 -4.693 -8.573 1.00 0.00 H new ATOM 0 HA SER A 36 9.837 -5.931 -6.353 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.971 -7.317 -6.421 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.079 -7.242 -7.928 1.00 0.00 H new ATOM 0 HG SER A 36 13.349 -6.871 -8.232 1.00 0.00 H new ATOM 521 N VAL A 37 12.355 -3.943 -5.671 1.00 0.00 N ATOM 522 CA VAL A 37 13.071 -3.277 -4.589 1.00 0.00 C ATOM 523 C VAL A 37 12.165 -3.064 -3.381 1.00 0.00 C ATOM 524 O VAL A 37 12.607 -3.166 -2.236 1.00 0.00 O ATOM 525 CB VAL A 37 13.634 -1.917 -5.042 1.00 0.00 C ATOM 526 CG1 VAL A 37 12.515 -1.015 -5.539 1.00 0.00 C ATOM 527 CG2 VAL A 37 14.400 -1.254 -3.907 1.00 0.00 C ATOM 0 H VAL A 37 12.588 -3.601 -6.603 1.00 0.00 H new ATOM 0 HA VAL A 37 13.899 -3.928 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 37 14.326 -2.086 -5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.932 -0.059 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.013 -1.489 -6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.797 -0.850 -4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.791 -0.294 -4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.732 -1.097 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.227 -1.896 -3.602 1.00 0.00 H new ATOM 537 N CYS A 38 10.897 -2.768 -3.644 1.00 0.00 N ATOM 538 CA CYS A 38 9.928 -2.539 -2.578 1.00 0.00 C ATOM 539 C CYS A 38 8.919 -3.680 -2.508 1.00 0.00 C ATOM 540 O CYS A 38 8.441 -4.033 -1.430 1.00 0.00 O ATOM 541 CB CYS A 38 9.201 -1.211 -2.798 1.00 0.00 C ATOM 542 SG CYS A 38 10.030 0.215 -2.058 1.00 0.00 S ATOM 0 H CYS A 38 10.516 -2.681 -4.586 1.00 0.00 H new ATOM 0 HA CYS A 38 10.468 -2.496 -1.632 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.095 -1.040 -3.869 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.195 -1.287 -2.386 1.00 0.00 H new ATOM 0 HG CYS A 38 10.127 0.042 -0.773 1.00 0.00 H new ATOM 548 N ARG A 39 8.597 -4.251 -3.664 1.00 0.00 N ATOM 549 CA ARG A 39 7.642 -5.351 -3.733 1.00 0.00 C ATOM 550 C ARG A 39 7.796 -6.281 -2.534 1.00 0.00 C ATOM 551 O ARG A 39 6.828 -6.566 -1.830 1.00 0.00 O ATOM 552 CB ARG A 39 7.832 -6.138 -5.031 1.00 0.00 C ATOM 553 CG ARG A 39 6.653 -7.032 -5.379 1.00 0.00 C ATOM 554 CD ARG A 39 6.516 -7.213 -6.883 1.00 0.00 C ATOM 555 NE ARG A 39 5.928 -8.504 -7.227 1.00 0.00 N ATOM 556 CZ ARG A 39 6.629 -9.627 -7.332 1.00 0.00 C ATOM 557 NH1 ARG A 39 7.938 -9.617 -7.119 1.00 0.00 N ATOM 558 NH2 ARG A 39 6.022 -10.764 -7.649 1.00 0.00 N ATOM 0 H ARG A 39 8.983 -3.970 -4.565 1.00 0.00 H new ATOM 0 HA ARG A 39 6.637 -4.929 -3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.000 -5.438 -5.849 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.729 -6.751 -4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.780 -8.005 -4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.736 -6.599 -4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.897 -6.413 -7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.497 -7.126 -7.350 1.00 0.00 H new ATOM 0 HE ARG A 39 4.923 -8.546 -7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.408 -8.746 -6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.475 -10.481 -7.200 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.015 -10.776 -7.812 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.562 -11.625 -7.729 1.00 0.00 H new ATOM 572 N GLU A 40 9.019 -6.752 -2.309 1.00 0.00 N ATOM 573 CA GLU A 40 9.298 -7.651 -1.196 1.00 0.00 C ATOM 574 C GLU A 40 8.575 -7.193 0.068 1.00 0.00 C ATOM 575 O GLU A 40 7.988 -8.000 0.789 1.00 0.00 O ATOM 576 CB GLU A 40 10.804 -7.725 -0.936 1.00 0.00 C ATOM 577 CG GLU A 40 11.573 -8.456 -2.024 1.00 0.00 C ATOM 578 CD GLU A 40 11.441 -9.963 -1.921 1.00 0.00 C ATOM 579 OE1 GLU A 40 10.297 -10.462 -1.953 1.00 0.00 O ATOM 580 OE2 GLU A 40 12.483 -10.643 -1.808 1.00 0.00 O ATOM 0 H GLU A 40 9.832 -6.526 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 40 8.933 -8.643 -1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.198 -6.713 -0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.976 -8.225 0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.213 -8.130 -3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.627 -8.183 -1.965 1.00 0.00 H new ATOM 587 N LYS A 41 8.622 -5.891 0.331 1.00 0.00 N ATOM 588 CA LYS A 41 7.973 -5.323 1.506 1.00 0.00 C ATOM 589 C LYS A 41 6.455 -5.341 1.351 1.00 0.00 C ATOM 590 O LYS A 41 5.731 -5.699 2.280 1.00 0.00 O ATOM 591 CB LYS A 41 8.455 -3.890 1.738 1.00 0.00 C ATOM 592 CG LYS A 41 9.966 -3.764 1.830 1.00 0.00 C ATOM 593 CD LYS A 41 10.505 -4.427 3.087 1.00 0.00 C ATOM 594 CE LYS A 41 10.559 -3.452 4.253 1.00 0.00 C ATOM 595 NZ LYS A 41 11.605 -2.410 4.057 1.00 0.00 N ATOM 0 H LYS A 41 9.104 -5.209 -0.255 1.00 0.00 H new ATOM 0 HA LYS A 41 8.240 -5.934 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.095 -3.258 0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.010 -3.510 2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.424 -4.220 0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.245 -2.710 1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.874 -5.276 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.503 -4.819 2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.587 -2.973 4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.759 -3.999 5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.391 -2.579 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.958 -2.452 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.197 -1.470 4.238 1.00 0.00 H new ATOM 609 N ILE A 42 5.981 -4.955 0.171 1.00 0.00 N ATOM 610 CA ILE A 42 4.550 -4.929 -0.105 1.00 0.00 C ATOM 611 C ILE A 42 3.917 -6.293 0.148 1.00 0.00 C ATOM 612 O ILE A 42 2.793 -6.384 0.640 1.00 0.00 O ATOM 613 CB ILE A 42 4.265 -4.505 -1.558 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.754 -3.075 -1.800 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.779 -4.621 -1.862 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.769 -2.681 -3.260 1.00 0.00 C ATOM 0 H ILE A 42 6.567 -4.656 -0.609 1.00 0.00 H new ATOM 0 HA ILE A 42 4.111 -4.196 0.572 1.00 0.00 H new ATOM 0 HB ILE A 42 4.806 -5.173 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.114 -2.383 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.760 -2.970 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.594 -4.318 -2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.459 -5.654 -1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.218 -3.974 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.126 -1.656 -3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.431 -3.349 -3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.760 -2.754 -3.667 1.00 0.00 H new ATOM 628 N GLU A 43 4.648 -7.351 -0.190 1.00 0.00 N ATOM 629 CA GLU A 43 4.158 -8.710 0.002 1.00 0.00 C ATOM 630 C GLU A 43 3.763 -8.946 1.457 1.00 0.00 C ATOM 631 O GLU A 43 2.916 -9.788 1.753 1.00 0.00 O ATOM 632 CB GLU A 43 5.223 -9.725 -0.420 1.00 0.00 C ATOM 633 CG GLU A 43 5.513 -9.718 -1.912 1.00 0.00 C ATOM 634 CD GLU A 43 4.628 -10.678 -2.683 1.00 0.00 C ATOM 635 OE1 GLU A 43 4.577 -11.868 -2.308 1.00 0.00 O ATOM 636 OE2 GLU A 43 3.987 -10.240 -3.661 1.00 0.00 O ATOM 0 H GLU A 43 5.581 -7.292 -0.598 1.00 0.00 H new ATOM 0 HA GLU A 43 3.274 -8.841 -0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.146 -9.517 0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.898 -10.723 -0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.373 -8.709 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.558 -9.981 -2.076 1.00 0.00 H new ATOM 643 N ALA A 44 4.385 -8.197 2.361 1.00 0.00 N ATOM 644 CA ALA A 44 4.099 -8.322 3.785 1.00 0.00 C ATOM 645 C ALA A 44 2.873 -7.502 4.173 1.00 0.00 C ATOM 646 O ALA A 44 1.856 -8.051 4.597 1.00 0.00 O ATOM 647 CB ALA A 44 5.306 -7.892 4.606 1.00 0.00 C ATOM 0 H ALA A 44 5.091 -7.497 2.133 1.00 0.00 H new ATOM 0 HA ALA A 44 3.885 -9.370 3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.078 -7.991 5.667 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.159 -8.524 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.547 -6.853 4.382 1.00 0.00 H new ATOM 653 N VAL A 45 2.977 -6.185 4.026 1.00 0.00 N ATOM 654 CA VAL A 45 1.876 -5.290 4.361 1.00 0.00 C ATOM 655 C VAL A 45 0.563 -5.788 3.768 1.00 0.00 C ATOM 656 O VAL A 45 -0.513 -5.511 4.297 1.00 0.00 O ATOM 657 CB VAL A 45 2.144 -3.859 3.858 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.070 -3.804 2.339 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.160 -2.882 4.483 1.00 0.00 C ATOM 0 H VAL A 45 3.812 -5.715 3.677 1.00 0.00 H new ATOM 0 HA VAL A 45 1.798 -5.277 5.448 1.00 0.00 H new ATOM 0 HB VAL A 45 3.150 -3.569 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.262 -2.785 2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.817 -4.474 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.077 -4.113 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.364 -1.876 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.143 -3.167 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.267 -2.902 5.568 1.00 0.00 H new ATOM 669 N ALA A 46 0.659 -6.524 2.666 1.00 0.00 N ATOM 670 CA ALA A 46 -0.521 -7.063 2.002 1.00 0.00 C ATOM 671 C ALA A 46 -1.089 -8.251 2.771 1.00 0.00 C ATOM 672 O ALA A 46 -2.299 -8.351 2.976 1.00 0.00 O ATOM 673 CB ALA A 46 -0.185 -7.467 0.574 1.00 0.00 C ATOM 0 H ALA A 46 1.542 -6.761 2.214 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.282 -6.283 1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.076 -7.868 0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.166 -6.595 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.595 -8.228 0.585 1.00 0.00 H new ATOM 679 N THR A 47 -0.208 -9.152 3.194 1.00 0.00 N ATOM 680 CA THR A 47 -0.621 -10.335 3.938 1.00 0.00 C ATOM 681 C THR A 47 -1.025 -9.975 5.363 1.00 0.00 C ATOM 682 O THR A 47 -1.771 -10.708 6.010 1.00 0.00 O ATOM 683 CB THR A 47 0.501 -11.389 3.986 1.00 0.00 C ATOM 684 OG1 THR A 47 -0.032 -12.654 4.394 1.00 0.00 O ATOM 685 CG2 THR A 47 1.602 -10.964 4.946 1.00 0.00 C ATOM 0 H THR A 47 0.797 -9.085 3.034 1.00 0.00 H new ATOM 0 HA THR A 47 -1.480 -10.753 3.414 1.00 0.00 H new ATOM 0 HB THR A 47 0.927 -11.480 2.987 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.687 -13.319 4.420 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.383 -11.724 4.963 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.026 -10.015 4.617 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.187 -10.848 5.947 1.00 0.00 H new ATOM 693 N GLU A 48 -0.528 -8.840 5.845 1.00 0.00 N ATOM 694 CA GLU A 48 -0.839 -8.383 7.195 1.00 0.00 C ATOM 695 C GLU A 48 -2.243 -7.790 7.258 1.00 0.00 C ATOM 696 O GLU A 48 -2.978 -8.005 8.224 1.00 0.00 O ATOM 697 CB GLU A 48 0.186 -7.344 7.654 1.00 0.00 C ATOM 698 CG GLU A 48 -0.228 -6.594 8.909 1.00 0.00 C ATOM 699 CD GLU A 48 -0.579 -7.522 10.055 1.00 0.00 C ATOM 700 OE1 GLU A 48 0.077 -8.577 10.186 1.00 0.00 O ATOM 701 OE2 GLU A 48 -1.510 -7.196 10.820 1.00 0.00 O ATOM 0 H GLU A 48 0.091 -8.221 5.322 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.796 -9.244 7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.139 -7.841 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.349 -6.627 6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.583 -5.933 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.086 -5.961 8.683 1.00 0.00 H new ATOM 708 N LEU A 49 -2.611 -7.041 6.224 1.00 0.00 N ATOM 709 CA LEU A 49 -3.927 -6.416 6.161 1.00 0.00 C ATOM 710 C LEU A 49 -4.941 -7.345 5.502 1.00 0.00 C ATOM 711 O LEU A 49 -6.128 -7.031 5.425 1.00 0.00 O ATOM 712 CB LEU A 49 -3.850 -5.097 5.390 1.00 0.00 C ATOM 713 CG LEU A 49 -3.144 -3.943 6.103 1.00 0.00 C ATOM 714 CD1 LEU A 49 -2.940 -2.774 5.152 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.938 -3.506 7.326 1.00 0.00 C ATOM 0 H LEU A 49 -2.016 -6.852 5.418 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.256 -6.216 7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.339 -5.281 4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.865 -4.781 5.147 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.166 -4.290 6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.436 -1.962 5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.330 -3.094 4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.908 -2.427 4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.421 -2.684 7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.930 -3.177 7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.032 -4.344 8.017 1.00 0.00 H new ATOM 727 N ASN A 50 -4.464 -8.492 5.029 1.00 0.00 N ATOM 728 CA ASN A 50 -5.330 -9.469 4.378 1.00 0.00 C ATOM 729 C ASN A 50 -5.828 -8.944 3.035 1.00 0.00 C ATOM 730 O ASN A 50 -6.970 -9.189 2.645 1.00 0.00 O ATOM 731 CB ASN A 50 -6.519 -9.808 5.279 1.00 0.00 C ATOM 732 CG ASN A 50 -6.101 -10.077 6.711 1.00 0.00 C ATOM 733 OD1 ASN A 50 -5.315 -10.986 6.980 1.00 0.00 O ATOM 734 ND2 ASN A 50 -6.626 -9.286 7.639 1.00 0.00 N ATOM 0 H ASN A 50 -3.484 -8.768 5.084 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.748 -10.373 4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.232 -8.984 5.260 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.033 -10.684 4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.382 -9.419 8.620 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.273 -8.545 7.371 1.00 0.00 H new ATOM 741 N VAL A 51 -4.963 -8.221 2.330 1.00 0.00 N ATOM 742 CA VAL A 51 -5.314 -7.663 1.030 1.00 0.00 C ATOM 743 C VAL A 51 -4.325 -8.105 -0.043 1.00 0.00 C ATOM 744 O VAL A 51 -3.154 -8.358 0.244 1.00 0.00 O ATOM 745 CB VAL A 51 -5.354 -6.124 1.073 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.408 -5.644 2.059 1.00 0.00 C ATOM 747 CG2 VAL A 51 -3.985 -5.565 1.429 1.00 0.00 C ATOM 0 H VAL A 51 -4.014 -8.008 2.638 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.307 -8.038 0.782 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.624 -5.758 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.421 -4.554 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.387 -6.014 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.172 -6.019 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.032 -4.476 1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.683 -5.938 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.258 -5.879 0.680 1.00 0.00 H new ATOM 757 N ASP A 52 -4.802 -8.195 -1.279 1.00 0.00 N ATOM 758 CA ASP A 52 -3.960 -8.605 -2.396 1.00 0.00 C ATOM 759 C ASP A 52 -2.844 -7.593 -2.635 1.00 0.00 C ATOM 760 O ASP A 52 -3.084 -6.386 -2.671 1.00 0.00 O ATOM 761 CB ASP A 52 -4.800 -8.765 -3.664 1.00 0.00 C ATOM 762 CG ASP A 52 -4.043 -9.465 -4.776 1.00 0.00 C ATOM 763 OD1 ASP A 52 -3.200 -10.332 -4.464 1.00 0.00 O ATOM 764 OD2 ASP A 52 -4.293 -9.146 -5.957 1.00 0.00 O ATOM 0 H ASP A 52 -5.768 -7.989 -1.533 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.508 -9.565 -2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.702 -9.331 -3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.121 -7.783 -4.010 1.00 0.00 H new ATOM 769 N CYS A 53 -1.624 -8.093 -2.797 1.00 0.00 N ATOM 770 CA CYS A 53 -0.470 -7.232 -3.031 1.00 0.00 C ATOM 771 C CYS A 53 -0.860 -6.013 -3.860 1.00 0.00 C ATOM 772 O CYS A 53 -0.533 -4.881 -3.506 1.00 0.00 O ATOM 773 CB CYS A 53 0.639 -8.012 -3.739 1.00 0.00 C ATOM 774 SG CYS A 53 1.175 -9.497 -2.858 1.00 0.00 S ATOM 0 H CYS A 53 -1.408 -9.090 -2.771 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.102 -6.888 -2.064 1.00 0.00 H new ATOM 0 HB2 CYS A 53 0.291 -8.297 -4.732 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.498 -7.356 -3.879 1.00 0.00 H new ATOM 0 HG CYS A 53 2.362 -9.838 -3.265 1.00 0.00 H new ATOM 780 N GLU A 54 -1.558 -6.254 -4.965 1.00 0.00 N ATOM 781 CA GLU A 54 -1.990 -5.175 -5.845 1.00 0.00 C ATOM 782 C GLU A 54 -2.542 -4.003 -5.039 1.00 0.00 C ATOM 783 O GLU A 54 -2.044 -2.881 -5.134 1.00 0.00 O ATOM 784 CB GLU A 54 -3.051 -5.680 -6.825 1.00 0.00 C ATOM 785 CG GLU A 54 -2.496 -6.589 -7.908 1.00 0.00 C ATOM 786 CD GLU A 54 -1.437 -7.540 -7.386 1.00 0.00 C ATOM 787 OE1 GLU A 54 -0.277 -7.107 -7.226 1.00 0.00 O ATOM 788 OE2 GLU A 54 -1.769 -8.718 -7.137 1.00 0.00 O ATOM 0 H GLU A 54 -1.836 -7.186 -5.272 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.122 -4.830 -6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.820 -6.218 -6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.537 -4.824 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.311 -7.164 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.070 -5.980 -8.705 1.00 0.00 H new ATOM 795 N ILE A 55 -3.574 -4.272 -4.247 1.00 0.00 N ATOM 796 CA ILE A 55 -4.194 -3.241 -3.424 1.00 0.00 C ATOM 797 C ILE A 55 -3.155 -2.251 -2.908 1.00 0.00 C ATOM 798 O ILE A 55 -3.414 -1.050 -2.825 1.00 0.00 O ATOM 799 CB ILE A 55 -4.944 -3.852 -2.226 1.00 0.00 C ATOM 800 CG1 ILE A 55 -5.993 -4.855 -2.710 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.595 -2.757 -1.394 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.038 -4.246 -3.617 1.00 0.00 C ATOM 0 H ILE A 55 -3.999 -5.195 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.908 -2.717 -4.060 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.226 -4.380 -1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.492 -5.665 -3.239 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.487 -5.297 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.121 -3.205 -0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.828 -2.077 -1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.303 -2.203 -2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.748 -5.015 -3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.566 -3.455 -3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.555 -3.829 -4.500 1.00 0.00 H new ATOM 814 N VAL A 56 -1.978 -2.763 -2.565 1.00 0.00 N ATOM 815 CA VAL A 56 -0.897 -1.924 -2.060 1.00 0.00 C ATOM 816 C VAL A 56 -0.045 -1.379 -3.200 1.00 0.00 C ATOM 817 O VAL A 56 0.048 -0.167 -3.396 1.00 0.00 O ATOM 818 CB VAL A 56 0.007 -2.700 -1.084 1.00 0.00 C ATOM 819 CG1 VAL A 56 1.168 -1.830 -0.625 1.00 0.00 C ATOM 820 CG2 VAL A 56 -0.799 -3.198 0.107 1.00 0.00 C ATOM 0 H VAL A 56 -1.748 -3.755 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.363 -1.093 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 56 0.416 -3.566 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.796 -2.395 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.759 -1.527 -1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.782 -0.944 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.145 -3.744 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.238 -2.348 0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.593 -3.859 -0.242 1.00 0.00 H new ATOM 830 N ARG A 57 0.575 -2.283 -3.952 1.00 0.00 N ATOM 831 CA ARG A 57 1.421 -1.893 -5.074 1.00 0.00 C ATOM 832 C ARG A 57 0.816 -0.710 -5.825 1.00 0.00 C ATOM 833 O ARG A 57 1.526 0.211 -6.231 1.00 0.00 O ATOM 834 CB ARG A 57 1.613 -3.073 -6.029 1.00 0.00 C ATOM 835 CG ARG A 57 2.944 -3.051 -6.762 1.00 0.00 C ATOM 836 CD ARG A 57 3.431 -4.458 -7.076 1.00 0.00 C ATOM 837 NE ARG A 57 4.236 -4.500 -8.293 1.00 0.00 N ATOM 838 CZ ARG A 57 3.758 -4.221 -9.501 1.00 0.00 C ATOM 839 NH1 ARG A 57 2.485 -3.882 -9.651 1.00 0.00 N ATOM 840 NH2 ARG A 57 4.553 -4.282 -10.561 1.00 0.00 N ATOM 0 H ARG A 57 0.507 -3.290 -3.805 1.00 0.00 H new ATOM 0 HA ARG A 57 2.391 -1.593 -4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.533 -4.003 -5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.805 -3.073 -6.760 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.841 -2.485 -7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.687 -2.535 -6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.020 -4.833 -6.239 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.574 -5.122 -7.185 1.00 0.00 H new ATOM 0 HE ARG A 57 5.220 -4.758 -8.212 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.871 -3.835 -8.838 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.120 -3.668 -10.579 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.533 -4.543 -10.449 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.185 -4.068 -11.488 1.00 0.00 H new ATOM 854 N THR A 58 -0.500 -0.742 -6.008 1.00 0.00 N ATOM 855 CA THR A 58 -1.200 0.325 -6.712 1.00 0.00 C ATOM 856 C THR A 58 -1.342 1.562 -5.833 1.00 0.00 C ATOM 857 O THR A 58 -1.126 2.686 -6.287 1.00 0.00 O ATOM 858 CB THR A 58 -2.599 -0.128 -7.171 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.488 -1.266 -8.032 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.320 0.996 -7.899 1.00 0.00 C ATOM 0 H THR A 58 -1.103 -1.496 -5.678 1.00 0.00 H new ATOM 0 HA THR A 58 -0.601 0.572 -7.588 1.00 0.00 H new ATOM 0 HB THR A 58 -3.177 -0.397 -6.287 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.382 -1.548 -8.318 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.305 0.652 -8.214 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.430 1.851 -7.231 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.742 1.292 -8.775 1.00 0.00 H new ATOM 868 N TRP A 59 -1.706 1.349 -4.574 1.00 0.00 N ATOM 869 CA TRP A 59 -1.876 2.448 -3.630 1.00 0.00 C ATOM 870 C TRP A 59 -0.616 3.304 -3.560 1.00 0.00 C ATOM 871 O TRP A 59 -0.692 4.528 -3.449 1.00 0.00 O ATOM 872 CB TRP A 59 -2.218 1.907 -2.241 1.00 0.00 C ATOM 873 CG TRP A 59 -2.089 2.933 -1.156 1.00 0.00 C ATOM 874 CD1 TRP A 59 -3.052 3.803 -0.732 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.929 3.196 -0.359 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.561 4.591 0.281 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.261 4.238 0.529 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.357 2.651 -0.307 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.352 4.744 1.454 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.257 3.155 0.612 1.00 0.00 C ATOM 881 CH2 TRP A 59 0.899 4.192 1.483 1.00 0.00 C ATOM 0 H TRP A 59 -1.889 0.425 -4.183 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.698 3.072 -3.981 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.238 1.524 -2.249 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.563 1.065 -2.015 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.053 3.863 -1.134 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.080 5.321 0.769 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.642 1.850 -0.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.625 5.545 2.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.254 2.742 0.660 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.625 4.563 2.191 1.00 0.00 H new ATOM 892 N ILE A 60 0.541 2.654 -3.625 1.00 0.00 N ATOM 893 CA ILE A 60 1.816 3.357 -3.569 1.00 0.00 C ATOM 894 C ILE A 60 1.950 4.345 -4.723 1.00 0.00 C ATOM 895 O ILE A 60 2.075 5.550 -4.510 1.00 0.00 O ATOM 896 CB ILE A 60 3.002 2.375 -3.609 1.00 0.00 C ATOM 897 CG1 ILE A 60 2.942 1.420 -2.416 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.320 3.136 -3.619 1.00 0.00 C ATOM 899 CD1 ILE A 60 3.924 0.273 -2.509 1.00 0.00 C ATOM 0 H ILE A 60 0.621 1.641 -3.717 1.00 0.00 H new ATOM 0 HA ILE A 60 1.836 3.900 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 60 2.937 1.787 -4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.137 1.981 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.932 1.017 -2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.149 2.428 -3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.362 3.779 -4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.395 3.746 -2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.825 -0.363 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.716 -0.312 -3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.939 0.666 -2.560 1.00 0.00 H new ATOM 911 N GLY A 61 1.921 3.826 -5.947 1.00 0.00 N ATOM 912 CA GLY A 61 2.038 4.676 -7.116 1.00 0.00 C ATOM 913 C GLY A 61 1.101 5.867 -7.064 1.00 0.00 C ATOM 914 O GLY A 61 1.488 6.985 -7.401 1.00 0.00 O ATOM 0 H GLY A 61 1.818 2.831 -6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.065 5.030 -7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.826 4.090 -8.010 1.00 0.00 H new ATOM 918 N ASN A 62 -0.135 5.627 -6.640 1.00 0.00 N ATOM 919 CA ASN A 62 -1.131 6.689 -6.546 1.00 0.00 C ATOM 920 C ASN A 62 -0.705 7.746 -5.532 1.00 0.00 C ATOM 921 O ASN A 62 -0.819 8.945 -5.785 1.00 0.00 O ATOM 922 CB ASN A 62 -2.491 6.108 -6.154 1.00 0.00 C ATOM 923 CG ASN A 62 -3.260 5.580 -7.349 1.00 0.00 C ATOM 924 OD1 ASN A 62 -2.881 5.811 -8.497 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.348 4.866 -7.084 1.00 0.00 N ATOM 0 H ASN A 62 -0.471 4.707 -6.356 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.214 7.163 -7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.345 5.302 -5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.082 6.877 -5.656 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.906 4.485 -7.848 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.625 4.699 -6.117 1.00 0.00 H new ATOM 932 N ARG A 63 -0.214 7.292 -4.383 1.00 0.00 N ATOM 933 CA ARG A 63 0.229 8.198 -3.330 1.00 0.00 C ATOM 934 C ARG A 63 1.380 9.075 -3.816 1.00 0.00 C ATOM 935 O ARG A 63 1.311 10.302 -3.745 1.00 0.00 O ATOM 936 CB ARG A 63 0.662 7.406 -2.096 1.00 0.00 C ATOM 937 CG ARG A 63 -0.482 7.074 -1.152 1.00 0.00 C ATOM 938 CD ARG A 63 -1.037 8.325 -0.488 1.00 0.00 C ATOM 939 NE ARG A 63 -2.102 8.938 -1.279 1.00 0.00 N ATOM 940 CZ ARG A 63 -3.365 8.528 -1.252 1.00 0.00 C ATOM 941 NH1 ARG A 63 -3.720 7.511 -0.479 1.00 0.00 N ATOM 942 NH2 ARG A 63 -4.277 9.136 -2.000 1.00 0.00 N ATOM 0 H ARG A 63 -0.113 6.302 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.608 8.843 -3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.137 6.479 -2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.415 7.978 -1.554 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.276 6.571 -1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.135 6.379 -0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.420 8.071 0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.232 9.046 -0.343 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.862 9.723 -1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.022 7.041 0.098 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.691 7.199 -0.461 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.008 9.919 -2.596 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.247 8.821 -1.979 1.00 0.00 H new ATOM 956 N ARG A 64 2.436 8.436 -4.308 1.00 0.00 N ATOM 957 CA ARG A 64 3.603 9.157 -4.803 1.00 0.00 C ATOM 958 C ARG A 64 3.187 10.449 -5.501 1.00 0.00 C ATOM 959 O ARG A 64 3.658 11.532 -5.156 1.00 0.00 O ATOM 960 CB ARG A 64 4.401 8.278 -5.766 1.00 0.00 C ATOM 961 CG ARG A 64 5.247 7.224 -5.070 1.00 0.00 C ATOM 962 CD ARG A 64 5.659 6.118 -6.029 1.00 0.00 C ATOM 963 NE ARG A 64 6.736 6.540 -6.921 1.00 0.00 N ATOM 964 CZ ARG A 64 7.385 5.712 -7.732 1.00 0.00 C ATOM 965 NH1 ARG A 64 7.068 4.425 -7.764 1.00 0.00 N ATOM 966 NH2 ARG A 64 8.354 6.171 -8.514 1.00 0.00 N ATOM 0 H ARG A 64 2.508 7.421 -4.375 1.00 0.00 H new ATOM 0 HA ARG A 64 4.232 9.411 -3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.711 7.784 -6.450 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.050 8.912 -6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.137 7.691 -4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.686 6.796 -4.239 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.981 5.246 -5.460 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.797 5.812 -6.621 1.00 0.00 H new ATOM 0 HE ARG A 64 7.004 7.524 -6.921 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.324 4.068 -7.165 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.568 3.792 -8.388 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.601 7.160 -8.493 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.852 5.534 -9.136 1.00 0.00 H new