USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 463 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 67 THR OG1 : rot 108:sc= -1.03 USER MOD Set 1.2: A 70 SER OG : rot 137:sc= 1.16 USER MOD Single : A 15 MET CE :methyl -141:sc= -1.63 (180deg=-3.66!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 162:sc= -1.86 (180deg=-2.26!) USER MOD Single : A 36 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.54) USER MOD Single : A 42 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.61) USER MOD Single : A 44 SER OG : rot -66:sc= -3.84! USER MOD Single : A 46 CYS SG : rot -35:sc=-0.00622 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 61 SER OG : rot 155:sc= 0.035 USER MOD Single : A 62 CYS SG : rot 55:sc= -5.25! USER MOD Single : A 63 MET CE :methyl 175:sc= -1.43 (180deg=-1.6) USER MOD Single : A 65 THR OG1 : rot 91:sc= -0.437 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 92:sc= 1.02 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 185 N MET A 15 7.397 -9.008 8.239 1.00 0.00 N ATOM 186 CA MET A 15 8.224 -7.825 8.405 1.00 0.00 C ATOM 187 C MET A 15 7.416 -6.551 8.149 1.00 0.00 C ATOM 188 O MET A 15 6.349 -6.600 7.540 1.00 0.00 O ATOM 189 CB MET A 15 9.404 -7.886 7.433 1.00 0.00 C ATOM 190 CG MET A 15 8.919 -8.055 5.992 1.00 0.00 C ATOM 191 SD MET A 15 10.038 -7.232 4.871 1.00 0.00 S ATOM 192 CE MET A 15 9.306 -5.604 4.841 1.00 0.00 C ATOM 0 HA MET A 15 8.589 -7.801 9.432 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.996 -6.975 7.517 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.057 -8.716 7.700 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.855 -9.114 5.743 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.916 -7.642 5.886 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.352 -5.203 3.828 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.265 -5.667 5.159 1.00 0.00 H new ATOM 0 HE3 MET A 15 9.853 -4.947 5.517 1.00 0.00 H new ATOM 202 N THR A 16 7.957 -5.439 8.626 1.00 0.00 N ATOM 203 CA THR A 16 7.300 -4.155 8.457 1.00 0.00 C ATOM 204 C THR A 16 8.190 -3.203 7.655 1.00 0.00 C ATOM 205 O THR A 16 9.379 -3.070 7.941 1.00 0.00 O ATOM 206 CB THR A 16 6.936 -3.623 9.844 1.00 0.00 C ATOM 207 OG1 THR A 16 5.959 -4.543 10.324 1.00 0.00 O ATOM 208 CG2 THR A 16 6.191 -2.288 9.783 1.00 0.00 C ATOM 0 H THR A 16 8.843 -5.402 9.130 1.00 0.00 H new ATOM 0 HA THR A 16 6.380 -4.254 7.880 1.00 0.00 H new ATOM 0 HB THR A 16 7.843 -3.506 10.436 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.669 -4.274 11.220 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.957 -1.956 10.794 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.818 -1.543 9.292 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.267 -2.413 9.219 1.00 0.00 H new ATOM 216 N GLU A 17 7.579 -2.564 6.668 1.00 0.00 N ATOM 217 CA GLU A 17 8.301 -1.628 5.823 1.00 0.00 C ATOM 218 C GLU A 17 7.543 -0.302 5.731 1.00 0.00 C ATOM 219 O GLU A 17 6.313 -0.283 5.753 1.00 0.00 O ATOM 220 CB GLU A 17 8.543 -2.219 4.432 1.00 0.00 C ATOM 221 CG GLU A 17 9.308 -1.235 3.544 1.00 0.00 C ATOM 222 CD GLU A 17 10.794 -1.207 3.909 1.00 0.00 C ATOM 223 OE1 GLU A 17 11.460 -2.234 3.653 1.00 0.00 O ATOM 224 OE2 GLU A 17 11.230 -0.161 4.435 1.00 0.00 O ATOM 0 H GLU A 17 6.592 -2.676 6.435 1.00 0.00 H new ATOM 0 HA GLU A 17 9.274 -1.437 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.106 -3.148 4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.589 -2.468 3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.192 -1.518 2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.884 -0.237 3.653 1.00 0.00 H new ATOM 231 N GLU A 18 8.308 0.775 5.629 1.00 0.00 N ATOM 232 CA GLU A 18 7.724 2.102 5.533 1.00 0.00 C ATOM 233 C GLU A 18 7.845 2.633 4.104 1.00 0.00 C ATOM 234 O GLU A 18 8.897 3.134 3.711 1.00 0.00 O ATOM 235 CB GLU A 18 8.375 3.061 6.532 1.00 0.00 C ATOM 236 CG GLU A 18 8.049 4.515 6.187 1.00 0.00 C ATOM 237 CD GLU A 18 8.350 5.439 7.369 1.00 0.00 C ATOM 238 OE1 GLU A 18 7.498 5.488 8.282 1.00 0.00 O ATOM 239 OE2 GLU A 18 9.426 6.076 7.333 1.00 0.00 O ATOM 0 H GLU A 18 9.328 0.756 5.611 1.00 0.00 H new ATOM 0 HA GLU A 18 6.666 2.031 5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.025 2.835 7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.455 2.916 6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.631 4.826 5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.998 4.601 5.912 1.00 0.00 H new ATOM 246 N TYR A 19 6.752 2.506 3.365 1.00 0.00 N ATOM 247 CA TYR A 19 6.723 2.967 1.987 1.00 0.00 C ATOM 248 C TYR A 19 5.949 4.282 1.866 1.00 0.00 C ATOM 249 O TYR A 19 4.765 4.342 2.195 1.00 0.00 O ATOM 250 CB TYR A 19 5.990 1.883 1.195 1.00 0.00 C ATOM 251 CG TYR A 19 6.194 1.973 -0.319 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.449 1.778 -0.859 1.00 0.00 C ATOM 253 CD2 TYR A 19 5.123 2.250 -1.144 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.640 1.863 -2.284 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.314 2.335 -2.568 1.00 0.00 C ATOM 256 CZ TYR A 19 6.564 2.138 -3.068 1.00 0.00 C ATOM 257 OH TYR A 19 6.745 2.218 -4.413 1.00 0.00 O ATOM 0 H TYR A 19 5.881 2.091 3.694 1.00 0.00 H new ATOM 0 HA TYR A 19 7.734 3.142 1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.327 0.905 1.539 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.924 1.947 1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.287 1.562 -0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.141 2.403 -0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.616 1.712 -2.720 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.484 2.550 -3.225 1.00 0.00 H new ATOM 0 HH TYR A 19 5.890 2.419 -4.847 1.00 0.00 H new ATOM 267 N LYS A 20 6.649 5.302 1.392 1.00 0.00 N ATOM 268 CA LYS A 20 6.042 6.611 1.222 1.00 0.00 C ATOM 269 C LYS A 20 5.545 6.756 -0.217 1.00 0.00 C ATOM 270 O LYS A 20 6.286 6.492 -1.163 1.00 0.00 O ATOM 271 CB LYS A 20 7.014 7.712 1.651 1.00 0.00 C ATOM 272 CG LYS A 20 6.964 7.929 3.165 1.00 0.00 C ATOM 273 CD LYS A 20 7.066 9.417 3.508 1.00 0.00 C ATOM 274 CE LYS A 20 8.253 9.685 4.435 1.00 0.00 C ATOM 275 NZ LYS A 20 7.944 10.794 5.365 1.00 0.00 N ATOM 0 H LYS A 20 7.631 5.248 1.120 1.00 0.00 H new ATOM 0 HA LYS A 20 5.172 6.714 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.027 7.444 1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.765 8.641 1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.035 7.523 3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.780 7.385 3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.176 9.998 2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.144 9.748 3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.491 8.784 5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.135 9.933 3.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.760 10.963 5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.739 11.656 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.115 10.543 5.941 1.00 0.00 H new ATOM 289 N VAL A 21 4.294 7.175 -0.338 1.00 0.00 N ATOM 290 CA VAL A 21 3.689 7.358 -1.647 1.00 0.00 C ATOM 291 C VAL A 21 3.212 8.805 -1.785 1.00 0.00 C ATOM 292 O VAL A 21 3.079 9.517 -0.791 1.00 0.00 O ATOM 293 CB VAL A 21 2.569 6.337 -1.853 1.00 0.00 C ATOM 294 CG1 VAL A 21 3.108 5.053 -2.488 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.850 6.037 -0.536 1.00 0.00 C ATOM 0 H VAL A 21 3.683 7.393 0.449 1.00 0.00 H new ATOM 0 HA VAL A 21 4.421 7.180 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 21 1.842 6.772 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.292 4.344 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.552 5.285 -3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.865 4.615 -1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.059 5.308 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.562 5.633 0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.416 6.956 -0.141 1.00 0.00 H new ATOM 305 N PRO A 22 2.960 9.208 -3.060 1.00 0.00 N ATOM 306 CA PRO A 22 2.500 10.557 -3.341 1.00 0.00 C ATOM 307 C PRO A 22 1.027 10.725 -2.960 1.00 0.00 C ATOM 308 O PRO A 22 0.150 10.132 -3.585 1.00 0.00 O ATOM 309 CB PRO A 22 2.756 10.759 -4.825 1.00 0.00 C ATOM 310 CG PRO A 22 2.916 9.366 -5.414 1.00 0.00 C ATOM 311 CD PRO A 22 3.106 8.393 -4.262 1.00 0.00 C ATOM 0 HA PRO A 22 3.024 11.311 -2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.928 11.289 -5.296 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.652 11.358 -4.989 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.038 9.096 -6.001 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.772 9.332 -6.088 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.364 7.595 -4.292 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.087 7.919 -4.302 1.00 0.00 H new ATOM 319 N ASP A 23 0.802 11.536 -1.937 1.00 0.00 N ATOM 320 CA ASP A 23 -0.548 11.789 -1.466 1.00 0.00 C ATOM 321 C ASP A 23 -1.431 12.189 -2.650 1.00 0.00 C ATOM 322 O ASP A 23 -2.623 11.888 -2.670 1.00 0.00 O ATOM 323 CB ASP A 23 -0.572 12.934 -0.451 1.00 0.00 C ATOM 324 CG ASP A 23 -1.920 13.644 -0.309 1.00 0.00 C ATOM 325 OD1 ASP A 23 -2.861 12.983 0.182 1.00 0.00 O ATOM 326 OD2 ASP A 23 -1.979 14.832 -0.694 1.00 0.00 O ATOM 0 H ASP A 23 1.533 12.026 -1.421 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.915 10.879 -0.992 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.280 12.542 0.523 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.180 13.669 -0.737 1.00 0.00 H new ATOM 331 N GLY A 24 -0.810 12.861 -3.609 1.00 0.00 N ATOM 332 CA GLY A 24 -1.524 13.305 -4.794 1.00 0.00 C ATOM 333 C GLY A 24 -2.019 12.112 -5.615 1.00 0.00 C ATOM 334 O GLY A 24 -2.807 12.278 -6.545 1.00 0.00 O ATOM 0 H GLY A 24 0.179 13.109 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.371 13.926 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.870 13.926 -5.406 1.00 0.00 H new ATOM 338 N MET A 25 -1.536 10.936 -5.242 1.00 0.00 N ATOM 339 CA MET A 25 -1.919 9.716 -5.932 1.00 0.00 C ATOM 340 C MET A 25 -2.596 8.734 -4.974 1.00 0.00 C ATOM 341 O MET A 25 -3.554 8.059 -5.347 1.00 0.00 O ATOM 342 CB MET A 25 -0.676 9.062 -6.540 1.00 0.00 C ATOM 343 CG MET A 25 -0.073 9.945 -7.635 1.00 0.00 C ATOM 344 SD MET A 25 -1.279 10.235 -8.919 1.00 0.00 S ATOM 345 CE MET A 25 -1.308 8.624 -9.687 1.00 0.00 C ATOM 0 H MET A 25 -0.882 10.802 -4.470 1.00 0.00 H new ATOM 0 HA MET A 25 -2.627 9.973 -6.720 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.065 8.886 -5.760 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.939 8.089 -6.956 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.253 10.894 -7.210 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.810 9.464 -8.056 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.213 8.523 -10.286 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.434 8.511 -10.329 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.294 7.853 -8.916 1.00 0.00 H new ATOM 355 N VAL A 26 -2.071 8.685 -3.758 1.00 0.00 N ATOM 356 CA VAL A 26 -2.613 7.797 -2.744 1.00 0.00 C ATOM 357 C VAL A 26 -4.141 7.862 -2.779 1.00 0.00 C ATOM 358 O VAL A 26 -4.809 6.830 -2.820 1.00 0.00 O ATOM 359 CB VAL A 26 -2.030 8.150 -1.374 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.855 9.244 -0.693 1.00 0.00 C ATOM 361 CG2 VAL A 26 -1.926 6.908 -0.486 1.00 0.00 C ATOM 0 H VAL A 26 -1.276 9.246 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.327 6.765 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.023 8.537 -1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.420 9.476 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.855 10.140 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.879 8.896 -0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.509 7.187 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.918 6.479 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.277 6.173 -0.963 1.00 0.00 H new ATOM 371 N GLY A 27 -4.650 9.085 -2.762 1.00 0.00 N ATOM 372 CA GLY A 27 -6.087 9.299 -2.791 1.00 0.00 C ATOM 373 C GLY A 27 -6.742 8.469 -3.897 1.00 0.00 C ATOM 374 O GLY A 27 -7.878 8.021 -3.751 1.00 0.00 O ATOM 0 H GLY A 27 -4.093 9.939 -2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.518 9.031 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.298 10.356 -2.951 1.00 0.00 H new ATOM 378 N PHE A 28 -5.997 8.290 -4.978 1.00 0.00 N ATOM 379 CA PHE A 28 -6.491 7.522 -6.109 1.00 0.00 C ATOM 380 C PHE A 28 -6.107 6.047 -5.979 1.00 0.00 C ATOM 381 O PHE A 28 -6.736 5.183 -6.588 1.00 0.00 O ATOM 382 CB PHE A 28 -5.834 8.100 -7.363 1.00 0.00 C ATOM 383 CG PHE A 28 -5.775 7.125 -8.541 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.876 6.402 -8.880 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.622 6.980 -9.247 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.821 5.496 -9.973 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.568 6.075 -10.340 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.668 5.352 -10.679 1.00 0.00 C ATOM 0 H PHE A 28 -5.055 8.663 -5.095 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.578 7.584 -6.155 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.382 8.991 -7.670 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.821 8.417 -7.116 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.792 6.517 -8.319 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.747 7.553 -8.977 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.695 4.922 -10.243 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.653 5.961 -10.902 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.626 4.663 -11.510 1.00 0.00 H new ATOM 398 N ILE A 29 -5.077 5.804 -5.182 1.00 0.00 N ATOM 399 CA ILE A 29 -4.602 4.449 -4.966 1.00 0.00 C ATOM 400 C ILE A 29 -5.663 3.658 -4.198 1.00 0.00 C ATOM 401 O ILE A 29 -5.789 2.447 -4.375 1.00 0.00 O ATOM 402 CB ILE A 29 -3.232 4.464 -4.284 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.201 5.200 -5.141 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.779 3.045 -3.933 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.777 4.804 -4.746 1.00 0.00 C ATOM 0 H ILE A 29 -4.558 6.523 -4.678 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.452 3.941 -5.919 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.322 5.014 -3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.367 4.971 -6.194 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.328 6.276 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.803 3.084 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.501 2.589 -3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.710 2.450 -4.843 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.063 5.341 -5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.606 5.057 -3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.646 3.731 -4.886 1.00 0.00 H new ATOM 417 N ILE A 30 -6.398 4.374 -3.360 1.00 0.00 N ATOM 418 CA ILE A 30 -7.444 3.754 -2.564 1.00 0.00 C ATOM 419 C ILE A 30 -8.508 3.169 -3.495 1.00 0.00 C ATOM 420 O ILE A 30 -8.768 1.967 -3.468 1.00 0.00 O ATOM 421 CB ILE A 30 -8.000 4.748 -1.543 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.869 5.435 -0.774 1.00 0.00 C ATOM 423 CG2 ILE A 30 -9.000 4.068 -0.605 1.00 0.00 C ATOM 424 CD1 ILE A 30 -7.037 6.956 -0.795 1.00 0.00 C ATOM 0 H ILE A 30 -6.290 5.378 -3.215 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.040 2.926 -1.981 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.541 5.525 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.858 5.081 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.909 5.165 -1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.380 4.796 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.829 3.665 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.504 3.258 -0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.220 7.420 -0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.023 7.309 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.987 7.224 -0.332 1.00 0.00 H new ATOM 436 N GLY A 31 -9.094 4.046 -4.297 1.00 0.00 N ATOM 437 CA GLY A 31 -10.124 3.632 -5.234 1.00 0.00 C ATOM 438 C GLY A 31 -11.520 3.857 -4.650 1.00 0.00 C ATOM 439 O GLY A 31 -11.659 4.403 -3.556 1.00 0.00 O ATOM 0 H GLY A 31 -8.875 5.042 -4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.021 4.191 -6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.994 2.578 -5.480 1.00 0.00 H new ATOM 481 N GLU A 35 -11.084 -0.052 -3.219 1.00 0.00 N ATOM 482 CA GLU A 35 -11.057 -1.263 -4.021 1.00 0.00 C ATOM 483 C GLU A 35 -9.788 -1.306 -4.874 1.00 0.00 C ATOM 484 O GLU A 35 -9.311 -2.383 -5.230 1.00 0.00 O ATOM 485 CB GLU A 35 -12.309 -1.370 -4.895 1.00 0.00 C ATOM 486 CG GLU A 35 -12.147 -0.563 -6.185 1.00 0.00 C ATOM 487 CD GLU A 35 -13.480 -0.443 -6.928 1.00 0.00 C ATOM 488 OE1 GLU A 35 -14.500 -0.242 -6.234 1.00 0.00 O ATOM 489 OE2 GLU A 35 -13.448 -0.556 -8.172 1.00 0.00 O ATOM 0 HA GLU A 35 -11.049 -2.121 -3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.500 -2.416 -5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.175 -1.008 -4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.766 0.431 -5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.410 -1.043 -6.828 1.00 0.00 H new ATOM 496 N GLN A 36 -9.276 -0.122 -5.177 1.00 0.00 N ATOM 497 CA GLN A 36 -8.071 -0.012 -5.982 1.00 0.00 C ATOM 498 C GLN A 36 -6.872 -0.584 -5.223 1.00 0.00 C ATOM 499 O GLN A 36 -5.952 -1.130 -5.830 1.00 0.00 O ATOM 500 CB GLN A 36 -7.817 1.440 -6.392 1.00 0.00 C ATOM 501 CG GLN A 36 -6.546 1.557 -7.236 1.00 0.00 C ATOM 502 CD GLN A 36 -6.881 1.598 -8.728 1.00 0.00 C ATOM 503 OE1 GLN A 36 -8.031 1.614 -9.133 1.00 0.00 O ATOM 504 NE2 GLN A 36 -5.813 1.613 -9.521 1.00 0.00 N ATOM 0 H GLN A 36 -9.673 0.769 -4.880 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.211 -0.594 -6.893 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.669 1.816 -6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.725 2.062 -5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.002 2.459 -6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.889 0.712 -7.030 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.877 1.598 -9.116 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.930 1.639 -10.534 1.00 0.00 H new ATOM 513 N ILE A 37 -6.921 -0.440 -3.907 1.00 0.00 N ATOM 514 CA ILE A 37 -5.851 -0.937 -3.059 1.00 0.00 C ATOM 515 C ILE A 37 -6.076 -2.424 -2.779 1.00 0.00 C ATOM 516 O ILE A 37 -5.143 -3.222 -2.857 1.00 0.00 O ATOM 517 CB ILE A 37 -5.730 -0.084 -1.794 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.382 -0.312 -1.106 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.906 -0.336 -0.849 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.252 0.381 -1.871 1.00 0.00 C ATOM 0 H ILE A 37 -7.685 0.014 -3.407 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.891 -0.850 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.770 0.966 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.422 0.068 -0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.179 -1.381 -1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.796 0.282 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.839 -0.083 -1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.923 -1.387 -0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.305 0.203 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.200 -0.019 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.446 1.453 -1.914 1.00 0.00 H new ATOM 532 N SER A 38 -7.319 -2.752 -2.458 1.00 0.00 N ATOM 533 CA SER A 38 -7.678 -4.129 -2.166 1.00 0.00 C ATOM 534 C SER A 38 -7.026 -5.067 -3.183 1.00 0.00 C ATOM 535 O SER A 38 -6.391 -6.051 -2.808 1.00 0.00 O ATOM 536 CB SER A 38 -9.196 -4.315 -2.170 1.00 0.00 C ATOM 537 OG SER A 38 -9.630 -5.190 -1.132 1.00 0.00 O ATOM 0 H SER A 38 -8.090 -2.087 -2.394 1.00 0.00 H new ATOM 0 HA SER A 38 -7.312 -4.374 -1.169 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.680 -3.346 -2.053 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.510 -4.714 -3.135 1.00 0.00 H new ATOM 0 HG SER A 38 -10.605 -5.281 -1.167 1.00 0.00 H new ATOM 543 N ARG A 39 -7.204 -4.728 -4.452 1.00 0.00 N ATOM 544 CA ARG A 39 -6.641 -5.528 -5.526 1.00 0.00 C ATOM 545 C ARG A 39 -5.126 -5.654 -5.356 1.00 0.00 C ATOM 546 O ARG A 39 -4.546 -6.692 -5.671 1.00 0.00 O ATOM 547 CB ARG A 39 -6.945 -4.908 -6.892 1.00 0.00 C ATOM 548 CG ARG A 39 -7.714 -5.888 -7.780 1.00 0.00 C ATOM 549 CD ARG A 39 -8.624 -5.143 -8.758 1.00 0.00 C ATOM 550 NE ARG A 39 -8.152 -5.349 -10.146 1.00 0.00 N ATOM 551 CZ ARG A 39 -8.834 -4.971 -11.235 1.00 0.00 C ATOM 552 NH1 ARG A 39 -10.022 -4.365 -11.105 1.00 0.00 N ATOM 553 NH2 ARG A 39 -8.328 -5.199 -12.455 1.00 0.00 N ATOM 0 H ARG A 39 -7.730 -3.910 -4.760 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.098 -6.516 -5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.528 -3.997 -6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.014 -4.622 -7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.011 -6.511 -8.334 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.311 -6.556 -7.159 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.649 -5.499 -8.657 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.632 -4.079 -8.522 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.251 -5.808 -10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.407 -4.191 -10.177 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.541 -4.077 -11.934 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.424 -5.660 -12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.847 -4.911 -13.284 1.00 0.00 H new ATOM 567 N ILE A 40 -4.527 -4.581 -4.859 1.00 0.00 N ATOM 568 CA ILE A 40 -3.090 -4.558 -4.644 1.00 0.00 C ATOM 569 C ILE A 40 -2.746 -5.435 -3.438 1.00 0.00 C ATOM 570 O ILE A 40 -1.738 -6.140 -3.447 1.00 0.00 O ATOM 571 CB ILE A 40 -2.590 -3.117 -4.520 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.064 -2.269 -5.701 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.069 -3.077 -4.359 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.703 -0.796 -5.498 1.00 0.00 C ATOM 0 H ILE A 40 -5.011 -3.722 -4.599 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.569 -4.979 -5.504 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.021 -2.682 -3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.610 -2.635 -6.622 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.143 -2.370 -5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.739 -2.042 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.784 -3.624 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.599 -3.536 -5.228 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.051 -0.215 -6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.179 -0.427 -4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.621 -0.696 -5.408 1.00 0.00 H new ATOM 586 N GLN A 41 -3.602 -5.362 -2.430 1.00 0.00 N ATOM 587 CA GLN A 41 -3.401 -6.140 -1.219 1.00 0.00 C ATOM 588 C GLN A 41 -3.637 -7.626 -1.498 1.00 0.00 C ATOM 589 O GLN A 41 -2.996 -8.484 -0.893 1.00 0.00 O ATOM 590 CB GLN A 41 -4.307 -5.643 -0.091 1.00 0.00 C ATOM 591 CG GLN A 41 -3.712 -4.407 0.586 1.00 0.00 C ATOM 592 CD GLN A 41 -4.528 -4.011 1.818 1.00 0.00 C ATOM 593 OE1 GLN A 41 -4.899 -4.833 2.640 1.00 0.00 O ATOM 594 NE2 GLN A 41 -4.786 -2.709 1.900 1.00 0.00 N ATOM 0 H GLN A 41 -4.437 -4.776 -2.427 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.369 -6.011 -0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.293 -5.404 -0.490 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.444 -6.435 0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.681 -4.608 0.877 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.687 -3.577 -0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.445 -2.075 1.177 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.324 -2.344 2.686 1.00 0.00 H new ATOM 603 N GLN A 42 -4.557 -7.884 -2.415 1.00 0.00 N ATOM 604 CA GLN A 42 -4.886 -9.251 -2.782 1.00 0.00 C ATOM 605 C GLN A 42 -3.911 -9.765 -3.844 1.00 0.00 C ATOM 606 O GLN A 42 -3.578 -10.948 -3.865 1.00 0.00 O ATOM 607 CB GLN A 42 -6.332 -9.356 -3.268 1.00 0.00 C ATOM 608 CG GLN A 42 -7.313 -9.265 -2.097 1.00 0.00 C ATOM 609 CD GLN A 42 -7.890 -10.640 -1.757 1.00 0.00 C ATOM 610 OE1 GLN A 42 -8.211 -11.439 -2.622 1.00 0.00 O ATOM 611 NE2 GLN A 42 -8.003 -10.872 -0.452 1.00 0.00 N ATOM 0 H GLN A 42 -5.085 -7.169 -2.915 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.790 -9.877 -1.895 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.538 -8.559 -3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.475 -10.300 -3.794 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.806 -8.854 -1.224 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.122 -8.579 -2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.716 -10.160 0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.377 -11.762 -0.123 1.00 0.00 H new ATOM 620 N GLU A 43 -3.482 -8.849 -4.699 1.00 0.00 N ATOM 621 CA GLU A 43 -2.553 -9.194 -5.762 1.00 0.00 C ATOM 622 C GLU A 43 -1.247 -9.729 -5.171 1.00 0.00 C ATOM 623 O GLU A 43 -0.808 -10.824 -5.517 1.00 0.00 O ATOM 624 CB GLU A 43 -2.291 -7.993 -6.673 1.00 0.00 C ATOM 625 CG GLU A 43 -3.222 -8.013 -7.887 1.00 0.00 C ATOM 626 CD GLU A 43 -2.477 -7.596 -9.156 1.00 0.00 C ATOM 627 OE1 GLU A 43 -1.570 -8.357 -9.558 1.00 0.00 O ATOM 628 OE2 GLU A 43 -2.831 -6.526 -9.697 1.00 0.00 O ATOM 0 H GLU A 43 -3.760 -7.868 -4.678 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.003 -9.978 -6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.437 -7.069 -6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.253 -8.004 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.636 -9.013 -8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.062 -7.340 -7.717 1.00 0.00 H new ATOM 635 N SER A 44 -0.662 -8.931 -4.290 1.00 0.00 N ATOM 636 CA SER A 44 0.585 -9.310 -3.648 1.00 0.00 C ATOM 637 C SER A 44 0.296 -10.092 -2.365 1.00 0.00 C ATOM 638 O SER A 44 1.178 -10.762 -1.830 1.00 0.00 O ATOM 639 CB SER A 44 1.442 -8.081 -3.339 1.00 0.00 C ATOM 640 OG SER A 44 0.767 -7.160 -2.487 1.00 0.00 O ATOM 0 H SER A 44 -1.029 -8.023 -4.006 1.00 0.00 H new ATOM 0 HA SER A 44 1.144 -9.945 -4.335 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.372 -8.397 -2.867 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.711 -7.583 -4.271 1.00 0.00 H new ATOM 0 HG SER A 44 -0.002 -6.779 -2.961 1.00 0.00 H new ATOM 646 N GLY A 45 -0.942 -9.981 -1.908 1.00 0.00 N ATOM 647 CA GLY A 45 -1.358 -10.669 -0.698 1.00 0.00 C ATOM 648 C GLY A 45 -0.722 -10.034 0.540 1.00 0.00 C ATOM 649 O GLY A 45 -0.633 -10.667 1.591 1.00 0.00 O ATOM 0 H GLY A 45 -1.671 -9.425 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.444 -10.635 -0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.076 -11.720 -0.758 1.00 0.00 H new ATOM 653 N CYS A 46 -0.296 -8.790 0.375 1.00 0.00 N ATOM 654 CA CYS A 46 0.329 -8.062 1.467 1.00 0.00 C ATOM 655 C CYS A 46 -0.664 -7.017 1.978 1.00 0.00 C ATOM 656 O CYS A 46 -1.561 -6.598 1.248 1.00 0.00 O ATOM 657 CB CYS A 46 1.654 -7.429 1.038 1.00 0.00 C ATOM 658 SG CYS A 46 2.933 -7.732 2.311 1.00 0.00 S ATOM 0 H CYS A 46 -0.371 -8.268 -0.498 1.00 0.00 H new ATOM 0 HA CYS A 46 0.576 -8.752 2.274 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.974 -7.846 0.083 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.523 -6.357 0.890 1.00 0.00 H new ATOM 0 HG CYS A 46 2.385 -7.712 3.490 1.00 0.00 H new ATOM 664 N LYS A 47 -0.471 -6.625 3.229 1.00 0.00 N ATOM 665 CA LYS A 47 -1.338 -5.637 3.847 1.00 0.00 C ATOM 666 C LYS A 47 -0.780 -4.237 3.580 1.00 0.00 C ATOM 667 O LYS A 47 0.435 -4.048 3.533 1.00 0.00 O ATOM 668 CB LYS A 47 -1.533 -5.949 5.332 1.00 0.00 C ATOM 669 CG LYS A 47 -2.902 -5.466 5.818 1.00 0.00 C ATOM 670 CD LYS A 47 -3.440 -6.373 6.926 1.00 0.00 C ATOM 671 CE LYS A 47 -3.409 -5.661 8.280 1.00 0.00 C ATOM 672 NZ LYS A 47 -2.037 -5.664 8.836 1.00 0.00 N ATOM 0 H LYS A 47 0.274 -6.974 3.832 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.333 -5.673 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.442 -7.023 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.746 -5.470 5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.821 -4.444 6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.603 -5.449 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.462 -6.673 6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.844 -7.284 6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.759 -4.635 8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.090 -6.155 8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.034 -5.177 9.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.716 -6.645 8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.396 -5.172 8.181 1.00 0.00 H new ATOM 686 N ILE A 48 -1.694 -3.292 3.414 1.00 0.00 N ATOM 687 CA ILE A 48 -1.308 -1.916 3.153 1.00 0.00 C ATOM 688 C ILE A 48 -2.157 -0.981 4.017 1.00 0.00 C ATOM 689 O ILE A 48 -3.333 -0.764 3.731 1.00 0.00 O ATOM 690 CB ILE A 48 -1.387 -1.611 1.656 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.397 -2.472 0.868 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.188 -0.118 1.389 1.00 0.00 C ATOM 693 CD1 ILE A 48 -0.910 -2.741 -0.548 1.00 0.00 C ATOM 0 H ILE A 48 -2.700 -3.452 3.455 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.267 -1.753 3.433 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.387 -1.869 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.569 -1.969 0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.239 -3.417 1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.249 0.071 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.964 0.450 1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.209 0.190 1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.188 -3.355 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.864 -3.265 -0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.044 -1.795 -1.072 1.00 0.00 H new ATOM 705 N GLN A 49 -1.527 -0.453 5.056 1.00 0.00 N ATOM 706 CA GLN A 49 -2.210 0.454 5.963 1.00 0.00 C ATOM 707 C GLN A 49 -1.825 1.903 5.656 1.00 0.00 C ATOM 708 O GLN A 49 -0.751 2.359 6.044 1.00 0.00 O ATOM 709 CB GLN A 49 -1.906 0.104 7.421 1.00 0.00 C ATOM 710 CG GLN A 49 -2.564 -1.221 7.815 1.00 0.00 C ATOM 711 CD GLN A 49 -2.829 -1.274 9.321 1.00 0.00 C ATOM 712 OE1 GLN A 49 -1.941 -1.102 10.140 1.00 0.00 O ATOM 713 NE2 GLN A 49 -4.096 -1.523 9.639 1.00 0.00 N ATOM 0 H GLN A 49 -0.551 -0.636 5.290 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.284 0.344 5.813 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.828 0.036 7.565 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.265 0.901 8.073 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.502 -1.341 7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.920 -2.051 7.526 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.790 -1.657 8.903 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.374 -1.580 10.619 1.00 0.00 H new ATOM 722 N ILE A 50 -2.723 2.585 4.960 1.00 0.00 N ATOM 723 CA ILE A 50 -2.490 3.973 4.596 1.00 0.00 C ATOM 724 C ILE A 50 -3.246 4.883 5.566 1.00 0.00 C ATOM 725 O ILE A 50 -4.459 4.755 5.726 1.00 0.00 O ATOM 726 CB ILE A 50 -2.846 4.208 3.127 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.251 3.115 2.237 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.423 5.608 2.677 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.426 3.459 0.756 1.00 0.00 C ATOM 0 H ILE A 50 -3.612 2.203 4.639 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.432 4.219 4.687 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.930 4.151 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.192 2.993 2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.734 2.162 2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.688 5.749 1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.934 6.355 3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.345 5.719 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.995 2.666 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.487 3.556 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.921 4.400 0.539 1.00 0.00 H new ATOM 741 N ALA A 51 -2.498 5.783 6.188 1.00 0.00 N ATOM 742 CA ALA A 51 -3.083 6.715 7.137 1.00 0.00 C ATOM 743 C ALA A 51 -4.032 7.661 6.398 1.00 0.00 C ATOM 744 O ALA A 51 -3.852 7.924 5.210 1.00 0.00 O ATOM 745 CB ALA A 51 -1.968 7.463 7.870 1.00 0.00 C ATOM 0 H ALA A 51 -1.492 5.886 6.053 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.667 6.183 7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.406 8.162 8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.340 6.749 8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.362 8.012 7.148 1.00 0.00 H new ATOM 821 N PRO A 58 4.166 15.650 1.701 1.00 0.00 N ATOM 822 CA PRO A 58 4.304 15.399 0.276 1.00 0.00 C ATOM 823 C PRO A 58 4.097 13.917 -0.043 1.00 0.00 C ATOM 824 O PRO A 58 3.683 13.569 -1.148 1.00 0.00 O ATOM 825 CB PRO A 58 5.698 15.893 -0.077 1.00 0.00 C ATOM 826 CG PRO A 58 6.457 15.972 1.237 1.00 0.00 C ATOM 827 CD PRO A 58 5.446 15.873 2.367 1.00 0.00 C ATOM 0 HA PRO A 58 3.550 15.916 -0.317 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.190 15.212 -0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.656 16.868 -0.563 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.186 15.165 1.306 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.011 16.908 1.302 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.688 15.054 3.044 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.428 16.785 2.964 1.00 0.00 H new ATOM 835 N GLU A 59 4.393 13.085 0.945 1.00 0.00 N ATOM 836 CA GLU A 59 4.244 11.649 0.783 1.00 0.00 C ATOM 837 C GLU A 59 3.637 11.033 2.045 1.00 0.00 C ATOM 838 O GLU A 59 4.132 11.255 3.149 1.00 0.00 O ATOM 839 CB GLU A 59 5.584 10.994 0.443 1.00 0.00 C ATOM 840 CG GLU A 59 6.136 11.528 -0.880 1.00 0.00 C ATOM 841 CD GLU A 59 7.327 12.459 -0.641 1.00 0.00 C ATOM 842 OE1 GLU A 59 8.133 12.130 0.256 1.00 0.00 O ATOM 843 OE2 GLU A 59 7.404 13.477 -1.362 1.00 0.00 O ATOM 0 H GLU A 59 4.735 13.378 1.860 1.00 0.00 H new ATOM 0 HA GLU A 59 3.565 11.465 -0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.299 11.185 1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.458 9.913 0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.442 10.695 -1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.352 12.064 -1.415 1.00 0.00 H new ATOM 850 N ARG A 60 2.572 10.271 1.840 1.00 0.00 N ATOM 851 CA ARG A 60 1.892 9.621 2.947 1.00 0.00 C ATOM 852 C ARG A 60 2.568 8.288 3.276 1.00 0.00 C ATOM 853 O ARG A 60 2.879 7.508 2.378 1.00 0.00 O ATOM 854 CB ARG A 60 0.419 9.372 2.619 1.00 0.00 C ATOM 855 CG ARG A 60 -0.204 8.385 3.609 1.00 0.00 C ATOM 856 CD ARG A 60 -0.260 8.982 5.016 1.00 0.00 C ATOM 857 NE ARG A 60 0.195 7.983 6.009 1.00 0.00 N ATOM 858 CZ ARG A 60 0.722 8.295 7.201 1.00 0.00 C ATOM 859 NH1 ARG A 60 0.864 9.579 7.556 1.00 0.00 N ATOM 860 NH2 ARG A 60 1.108 7.322 8.038 1.00 0.00 N ATOM 0 H ARG A 60 2.164 10.089 0.923 1.00 0.00 H new ATOM 0 HA ARG A 60 1.952 10.285 3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.128 10.315 2.647 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.329 8.981 1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.210 8.122 3.281 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.378 7.463 3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.369 9.871 5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.278 9.298 5.246 1.00 0.00 H new ATOM 0 HE ARG A 60 0.102 6.996 5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.571 10.320 6.919 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.265 9.816 8.463 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.001 6.344 7.768 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.509 7.559 8.945 1.00 0.00 H new ATOM 874 N SER A 61 2.774 8.068 4.566 1.00 0.00 N ATOM 875 CA SER A 61 3.406 6.843 5.025 1.00 0.00 C ATOM 876 C SER A 61 2.403 5.688 4.983 1.00 0.00 C ATOM 877 O SER A 61 1.299 5.801 5.514 1.00 0.00 O ATOM 878 CB SER A 61 3.966 7.008 6.439 1.00 0.00 C ATOM 879 OG SER A 61 5.013 6.081 6.711 1.00 0.00 O ATOM 0 H SER A 61 2.514 8.718 5.308 1.00 0.00 H new ATOM 0 HA SER A 61 4.238 6.618 4.358 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.340 8.024 6.564 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.164 6.872 7.165 1.00 0.00 H new ATOM 0 HG SER A 61 5.597 6.443 7.410 1.00 0.00 H new ATOM 885 N CYS A 62 2.822 4.605 4.345 1.00 0.00 N ATOM 886 CA CYS A 62 1.974 3.431 4.227 1.00 0.00 C ATOM 887 C CYS A 62 2.718 2.238 4.830 1.00 0.00 C ATOM 888 O CYS A 62 3.673 1.735 4.240 1.00 0.00 O ATOM 889 CB CYS A 62 1.565 3.174 2.775 1.00 0.00 C ATOM 890 SG CYS A 62 0.776 4.668 2.073 1.00 0.00 S ATOM 0 H CYS A 62 3.738 4.516 3.904 1.00 0.00 H new ATOM 0 HA CYS A 62 1.046 3.593 4.775 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.440 2.903 2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.875 2.332 2.727 1.00 0.00 H new ATOM 0 HG CYS A 62 1.576 5.684 2.206 1.00 0.00 H new ATOM 896 N MET A 63 2.252 1.821 5.998 1.00 0.00 N ATOM 897 CA MET A 63 2.862 0.696 6.688 1.00 0.00 C ATOM 898 C MET A 63 2.401 -0.632 6.084 1.00 0.00 C ATOM 899 O MET A 63 1.217 -0.962 6.132 1.00 0.00 O ATOM 900 CB MET A 63 2.485 0.742 8.170 1.00 0.00 C ATOM 901 CG MET A 63 3.032 2.006 8.836 1.00 0.00 C ATOM 902 SD MET A 63 4.805 2.078 8.645 1.00 0.00 S ATOM 903 CE MET A 63 5.293 0.806 9.798 1.00 0.00 C ATOM 0 H MET A 63 1.460 2.241 6.484 1.00 0.00 H new ATOM 0 HA MET A 63 3.944 0.768 6.577 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.400 0.712 8.274 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.878 -0.139 8.676 1.00 0.00 H new ATOM 0 HG2 MET A 63 2.574 2.889 8.391 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.771 2.011 9.894 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.371 0.656 9.740 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.023 1.109 10.810 1.00 0.00 H new ATOM 0 HE3 MET A 63 4.784 -0.125 9.550 1.00 0.00 H new ATOM 913 N LEU A 64 3.360 -1.359 5.531 1.00 0.00 N ATOM 914 CA LEU A 64 3.068 -2.643 4.919 1.00 0.00 C ATOM 915 C LEU A 64 3.352 -3.760 5.926 1.00 0.00 C ATOM 916 O LEU A 64 4.197 -3.606 6.806 1.00 0.00 O ATOM 917 CB LEU A 64 3.830 -2.795 3.601 1.00 0.00 C ATOM 918 CG LEU A 64 3.528 -1.749 2.526 1.00 0.00 C ATOM 919 CD1 LEU A 64 4.717 -0.807 2.327 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.099 -2.416 1.217 1.00 0.00 C ATOM 0 H LEU A 64 4.341 -1.083 5.494 1.00 0.00 H new ATOM 0 HA LEU A 64 2.012 -2.709 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.898 -2.767 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.613 -3.781 3.191 1.00 0.00 H new ATOM 0 HG LEU A 64 2.690 -1.141 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.475 -0.074 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.934 -0.293 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.590 -1.383 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.890 -1.650 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.899 -3.064 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.201 -3.010 1.388 1.00 0.00 H new ATOM 932 N THR A 65 2.630 -4.858 5.763 1.00 0.00 N ATOM 933 CA THR A 65 2.793 -6.000 6.647 1.00 0.00 C ATOM 934 C THR A 65 2.619 -7.306 5.869 1.00 0.00 C ATOM 935 O THR A 65 1.631 -7.481 5.157 1.00 0.00 O ATOM 936 CB THR A 65 1.806 -5.846 7.805 1.00 0.00 C ATOM 937 OG1 THR A 65 2.125 -4.575 8.366 1.00 0.00 O ATOM 938 CG2 THR A 65 2.079 -6.833 8.942 1.00 0.00 C ATOM 0 H THR A 65 1.930 -4.982 5.031 1.00 0.00 H new ATOM 0 HA THR A 65 3.800 -6.038 7.063 1.00 0.00 H new ATOM 0 HB THR A 65 0.790 -5.988 7.437 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.583 -3.882 7.935 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.350 -6.681 9.738 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.998 -7.853 8.566 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.083 -6.669 9.333 1.00 0.00 H new ATOM 946 N GLY A 66 3.593 -8.189 6.032 1.00 0.00 N ATOM 947 CA GLY A 66 3.559 -9.474 5.355 1.00 0.00 C ATOM 948 C GLY A 66 4.957 -9.883 4.886 1.00 0.00 C ATOM 949 O GLY A 66 5.950 -9.269 5.272 1.00 0.00 O ATOM 0 H GLY A 66 4.411 -8.040 6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.160 -10.233 6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.885 -9.421 4.500 1.00 0.00 H new ATOM 953 N THR A 67 4.989 -10.919 4.060 1.00 0.00 N ATOM 954 CA THR A 67 6.249 -11.418 3.535 1.00 0.00 C ATOM 955 C THR A 67 7.030 -10.289 2.860 1.00 0.00 C ATOM 956 O THR A 67 6.461 -9.252 2.521 1.00 0.00 O ATOM 957 CB THR A 67 5.940 -12.588 2.599 1.00 0.00 C ATOM 958 OG1 THR A 67 4.867 -12.112 1.791 1.00 0.00 O ATOM 959 CG2 THR A 67 5.347 -13.789 3.338 1.00 0.00 C ATOM 0 H THR A 67 4.163 -11.426 3.742 1.00 0.00 H new ATOM 0 HA THR A 67 6.894 -11.784 4.334 1.00 0.00 H new ATOM 0 HB THR A 67 6.852 -12.893 2.086 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.193 -11.939 0.883 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.146 -14.591 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.054 -14.139 4.090 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.417 -13.494 3.824 1.00 0.00 H new ATOM 967 N PRO A 68 8.355 -10.534 2.680 1.00 0.00 N ATOM 968 CA PRO A 68 9.220 -9.550 2.051 1.00 0.00 C ATOM 969 C PRO A 68 8.988 -9.503 0.539 1.00 0.00 C ATOM 970 O PRO A 68 9.034 -8.433 -0.066 1.00 0.00 O ATOM 971 CB PRO A 68 10.632 -9.973 2.423 1.00 0.00 C ATOM 972 CG PRO A 68 10.533 -11.428 2.851 1.00 0.00 C ATOM 973 CD PRO A 68 9.063 -11.750 3.069 1.00 0.00 C ATOM 0 HA PRO A 68 9.020 -8.534 2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.309 -9.860 1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.025 -9.355 3.230 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.958 -12.080 2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.101 -11.596 3.766 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.750 -12.601 2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.864 -12.008 4.109 1.00 0.00 H new ATOM 981 N GLU A 69 8.744 -10.676 -0.027 1.00 0.00 N ATOM 982 CA GLU A 69 8.505 -10.782 -1.456 1.00 0.00 C ATOM 983 C GLU A 69 7.142 -10.185 -1.812 1.00 0.00 C ATOM 984 O GLU A 69 6.904 -9.814 -2.960 1.00 0.00 O ATOM 985 CB GLU A 69 8.607 -12.235 -1.923 1.00 0.00 C ATOM 986 CG GLU A 69 9.492 -12.352 -3.165 1.00 0.00 C ATOM 987 CD GLU A 69 10.946 -12.631 -2.777 1.00 0.00 C ATOM 988 OE1 GLU A 69 11.645 -11.648 -2.449 1.00 0.00 O ATOM 989 OE2 GLU A 69 11.326 -13.821 -2.818 1.00 0.00 O ATOM 0 H GLU A 69 8.707 -11.561 0.478 1.00 0.00 H new ATOM 0 HA GLU A 69 9.276 -10.213 -1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.016 -12.850 -1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.612 -12.620 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.122 -13.153 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.437 -11.430 -3.744 1.00 0.00 H new ATOM 996 N SER A 70 6.283 -10.112 -0.806 1.00 0.00 N ATOM 997 CA SER A 70 4.950 -9.566 -0.998 1.00 0.00 C ATOM 998 C SER A 70 4.991 -8.040 -0.906 1.00 0.00 C ATOM 999 O SER A 70 4.317 -7.350 -1.671 1.00 0.00 O ATOM 1000 CB SER A 70 3.969 -10.134 0.030 1.00 0.00 C ATOM 1001 OG SER A 70 3.592 -11.474 -0.276 1.00 0.00 O ATOM 0 H SER A 70 6.484 -10.422 0.145 1.00 0.00 H new ATOM 0 HA SER A 70 4.602 -9.854 -1.990 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.423 -10.102 1.020 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.079 -9.506 0.067 1.00 0.00 H new ATOM 0 HG SER A 70 3.593 -12.010 0.545 1.00 0.00 H new ATOM 1007 N VAL A 71 5.787 -7.556 0.036 1.00 0.00 N ATOM 1008 CA VAL A 71 5.924 -6.124 0.238 1.00 0.00 C ATOM 1009 C VAL A 71 6.465 -5.483 -1.042 1.00 0.00 C ATOM 1010 O VAL A 71 5.993 -4.426 -1.459 1.00 0.00 O ATOM 1011 CB VAL A 71 6.801 -5.849 1.461 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.348 -4.421 1.434 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.033 -6.118 2.757 1.00 0.00 C ATOM 0 H VAL A 71 6.344 -8.131 0.668 1.00 0.00 H new ATOM 0 HA VAL A 71 4.953 -5.673 0.443 1.00 0.00 H new ATOM 0 HB VAL A 71 7.649 -6.533 1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.968 -4.252 2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.948 -4.278 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.519 -3.714 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.679 -5.915 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.157 -5.471 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.715 -7.160 2.782 1.00 0.00 H new ATOM 1023 N GLN A 72 7.449 -6.148 -1.629 1.00 0.00 N ATOM 1024 CA GLN A 72 8.060 -5.657 -2.852 1.00 0.00 C ATOM 1025 C GLN A 72 7.044 -5.675 -3.997 1.00 0.00 C ATOM 1026 O GLN A 72 6.835 -4.662 -4.662 1.00 0.00 O ATOM 1027 CB GLN A 72 9.304 -6.471 -3.210 1.00 0.00 C ATOM 1028 CG GLN A 72 10.562 -5.602 -3.159 1.00 0.00 C ATOM 1029 CD GLN A 72 11.719 -6.267 -3.907 1.00 0.00 C ATOM 1030 OE1 GLN A 72 11.736 -6.355 -5.124 1.00 0.00 O ATOM 1031 NE2 GLN A 72 12.682 -6.729 -3.115 1.00 0.00 N ATOM 0 H GLN A 72 7.839 -7.024 -1.280 1.00 0.00 H new ATOM 0 HA GLN A 72 8.376 -4.627 -2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.407 -7.307 -2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.191 -6.895 -4.208 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.353 -4.627 -3.599 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.847 -5.429 -2.121 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.605 -6.623 -2.103 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.497 -7.190 -3.519 1.00 0.00 H new ATOM 1040 N SER A 73 6.441 -6.838 -4.191 1.00 0.00 N ATOM 1041 CA SER A 73 5.453 -7.002 -5.244 1.00 0.00 C ATOM 1042 C SER A 73 4.370 -5.929 -5.116 1.00 0.00 C ATOM 1043 O SER A 73 4.044 -5.252 -6.091 1.00 0.00 O ATOM 1044 CB SER A 73 4.825 -8.397 -5.198 1.00 0.00 C ATOM 1045 OG SER A 73 5.810 -9.422 -5.093 1.00 0.00 O ATOM 0 H SER A 73 6.617 -7.676 -3.637 1.00 0.00 H new ATOM 0 HA SER A 73 5.955 -6.891 -6.205 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.144 -8.460 -4.349 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.230 -8.557 -6.097 1.00 0.00 H new ATOM 0 HG SER A 73 5.969 -9.628 -4.148 1.00 0.00 H new ATOM 1051 N ALA A 74 3.842 -5.806 -3.907 1.00 0.00 N ATOM 1052 CA ALA A 74 2.803 -4.826 -3.640 1.00 0.00 C ATOM 1053 C ALA A 74 3.324 -3.430 -3.985 1.00 0.00 C ATOM 1054 O ALA A 74 2.642 -2.658 -4.659 1.00 0.00 O ATOM 1055 CB ALA A 74 2.359 -4.938 -2.180 1.00 0.00 C ATOM 0 H ALA A 74 4.114 -6.369 -3.101 1.00 0.00 H new ATOM 0 HA ALA A 74 1.928 -5.015 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.580 -4.203 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.970 -5.939 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.210 -4.752 -1.525 1.00 0.00 H new ATOM 1061 N LYS A 75 4.527 -3.147 -3.509 1.00 0.00 N ATOM 1062 CA LYS A 75 5.147 -1.857 -3.759 1.00 0.00 C ATOM 1063 C LYS A 75 5.066 -1.538 -5.253 1.00 0.00 C ATOM 1064 O LYS A 75 4.537 -0.498 -5.642 1.00 0.00 O ATOM 1065 CB LYS A 75 6.571 -1.829 -3.200 1.00 0.00 C ATOM 1066 CG LYS A 75 6.568 -1.485 -1.709 1.00 0.00 C ATOM 1067 CD LYS A 75 7.781 -2.094 -1.003 1.00 0.00 C ATOM 1068 CE LYS A 75 8.907 -1.067 -0.865 1.00 0.00 C ATOM 1069 NZ LYS A 75 10.202 -1.746 -0.633 1.00 0.00 N ATOM 0 H LYS A 75 5.090 -3.789 -2.951 1.00 0.00 H new ATOM 0 HA LYS A 75 4.608 -1.068 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.044 -2.799 -3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.165 -1.095 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.575 -0.402 -1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.652 -1.854 -1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.489 -2.454 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.138 -2.957 -1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.965 -0.459 -1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.691 -0.391 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.955 -1.035 -0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.148 -2.307 0.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.414 -2.373 -1.435 1.00 0.00 H new ATOM 1083 N ARG A 76 5.599 -2.452 -6.050 1.00 0.00 N ATOM 1084 CA ARG A 76 5.594 -2.282 -7.493 1.00 0.00 C ATOM 1085 C ARG A 76 4.204 -1.860 -7.973 1.00 0.00 C ATOM 1086 O ARG A 76 4.073 -0.918 -8.753 1.00 0.00 O ATOM 1087 CB ARG A 76 6.000 -3.576 -8.202 1.00 0.00 C ATOM 1088 CG ARG A 76 7.502 -3.831 -8.060 1.00 0.00 C ATOM 1089 CD ARG A 76 8.197 -3.783 -9.422 1.00 0.00 C ATOM 1090 NE ARG A 76 7.688 -4.870 -10.289 1.00 0.00 N ATOM 1091 CZ ARG A 76 7.968 -4.984 -11.594 1.00 0.00 C ATOM 1092 NH1 ARG A 76 8.755 -4.079 -12.192 1.00 0.00 N ATOM 1093 NH2 ARG A 76 7.462 -6.004 -12.301 1.00 0.00 N ATOM 0 H ARG A 76 6.037 -3.313 -5.724 1.00 0.00 H new ATOM 0 HA ARG A 76 6.318 -1.505 -7.738 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.444 -4.414 -7.783 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.736 -3.515 -9.258 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.940 -3.085 -7.398 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.667 -4.804 -7.597 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.021 -2.817 -9.895 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.275 -3.884 -9.293 1.00 0.00 H new ATOM 0 HE ARG A 76 7.086 -5.577 -9.866 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.141 -3.303 -11.653 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.968 -4.166 -13.186 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.864 -6.693 -11.845 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.675 -6.091 -13.295 1.00 0.00 H new ATOM 1107 N LEU A 77 3.202 -2.576 -7.486 1.00 0.00 N ATOM 1108 CA LEU A 77 1.827 -2.288 -7.855 1.00 0.00 C ATOM 1109 C LEU A 77 1.502 -0.835 -7.501 1.00 0.00 C ATOM 1110 O LEU A 77 0.850 -0.135 -8.273 1.00 0.00 O ATOM 1111 CB LEU A 77 0.876 -3.304 -7.219 1.00 0.00 C ATOM 1112 CG LEU A 77 0.856 -4.694 -7.857 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.244 -5.725 -6.905 1.00 0.00 C ATOM 1114 CD2 LEU A 77 0.140 -4.667 -9.209 1.00 0.00 C ATOM 0 H LEU A 77 3.315 -3.356 -6.838 1.00 0.00 H new ATOM 0 HA LEU A 77 1.692 -2.392 -8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.142 -3.412 -6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.134 -2.896 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 77 1.886 -4.999 -8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.242 -6.705 -7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.833 -5.769 -5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.779 -5.436 -6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.140 -5.668 -9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.888 -4.332 -9.070 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.657 -3.982 -9.881 1.00 0.00 H new ATOM 1126 N LEU A 78 1.972 -0.426 -6.331 1.00 0.00 N ATOM 1127 CA LEU A 78 1.739 0.930 -5.864 1.00 0.00 C ATOM 1128 C LEU A 78 2.448 1.914 -6.797 1.00 0.00 C ATOM 1129 O LEU A 78 1.798 2.667 -7.521 1.00 0.00 O ATOM 1130 CB LEU A 78 2.150 1.069 -4.397 1.00 0.00 C ATOM 1131 CG LEU A 78 1.295 0.304 -3.386 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.773 0.564 -1.956 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.189 0.633 -3.563 1.00 0.00 C ATOM 0 H LEU A 78 2.513 -1.010 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 78 0.676 1.168 -5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.183 0.735 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.130 2.126 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 78 1.413 -0.763 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.148 0.008 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.809 0.240 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.703 1.630 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.775 0.076 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.345 1.702 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.506 0.356 -4.569 1.00 0.00 H new ATOM 1145 N ASP A 79 3.772 1.876 -6.751 1.00 0.00 N ATOM 1146 CA ASP A 79 4.575 2.756 -7.583 1.00 0.00 C ATOM 1147 C ASP A 79 3.981 2.801 -8.992 1.00 0.00 C ATOM 1148 O ASP A 79 4.108 3.805 -9.691 1.00 0.00 O ATOM 1149 CB ASP A 79 6.014 2.247 -7.692 1.00 0.00 C ATOM 1150 CG ASP A 79 7.090 3.334 -7.642 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.745 4.489 -7.974 1.00 0.00 O ATOM 1152 OD2 ASP A 79 8.232 2.985 -7.273 1.00 0.00 O ATOM 0 H ASP A 79 4.308 1.250 -6.151 1.00 0.00 H new ATOM 0 HA ASP A 79 4.576 3.746 -7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.196 1.540 -6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.119 1.696 -8.627 1.00 0.00 H new ATOM 1157 N GLN A 80 3.345 1.700 -9.367 1.00 0.00 N ATOM 1158 CA GLN A 80 2.732 1.602 -10.680 1.00 0.00 C ATOM 1159 C GLN A 80 1.626 2.649 -10.830 1.00 0.00 C ATOM 1160 O GLN A 80 1.743 3.569 -11.638 1.00 0.00 O ATOM 1161 CB GLN A 80 2.189 0.193 -10.927 1.00 0.00 C ATOM 1162 CG GLN A 80 3.009 -0.532 -11.996 1.00 0.00 C ATOM 1163 CD GLN A 80 2.290 -0.513 -13.346 1.00 0.00 C ATOM 1164 OE1 GLN A 80 2.259 0.484 -14.048 1.00 0.00 O ATOM 1165 NE2 GLN A 80 1.715 -1.668 -13.669 1.00 0.00 N ATOM 0 H GLN A 80 3.241 0.869 -8.784 1.00 0.00 H new ATOM 0 HA GLN A 80 3.496 1.799 -11.432 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.211 -0.377 -9.998 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.147 0.251 -11.241 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.986 -0.058 -12.094 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.184 -1.563 -11.688 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.779 -2.464 -13.035 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.210 -1.757 -14.551 1.00 0.00 H new ATOM 1174 N ILE A 81 0.579 2.474 -10.038 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.547 3.393 -10.072 1.00 0.00 C ATOM 1176 C ILE A 81 -0.025 4.828 -10.164 1.00 0.00 C ATOM 1177 O ILE A 81 -0.499 5.613 -10.984 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.472 3.151 -8.878 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -2.231 1.831 -9.031 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -2.419 4.335 -8.669 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.975 1.474 -7.743 1.00 0.00 C ATOM 0 H ILE A 81 0.486 1.710 -9.369 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.156 3.217 -10.959 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.858 3.068 -7.982 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.940 1.909 -9.855 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.533 1.033 -9.285 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.066 4.137 -7.814 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.837 5.238 -8.483 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.030 4.474 -9.561 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.506 0.532 -7.879 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.260 1.373 -6.926 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.689 2.262 -7.505 1.00 0.00 H new ATOM 1193 N VAL A 82 0.944 5.128 -9.312 1.00 0.00 N ATOM 1194 CA VAL A 82 1.536 6.455 -9.287 1.00 0.00 C ATOM 1195 C VAL A 82 2.127 6.771 -10.662 1.00 0.00 C ATOM 1196 O VAL A 82 1.760 7.766 -11.286 1.00 0.00 O ATOM 1197 CB VAL A 82 2.564 6.549 -8.158 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.345 7.862 -8.236 1.00 0.00 C ATOM 1199 CG2 VAL A 82 1.895 6.388 -6.792 1.00 0.00 C ATOM 0 H VAL A 82 1.334 4.474 -8.633 1.00 0.00 H new ATOM 0 HA VAL A 82 0.776 7.208 -9.079 1.00 0.00 H new ATOM 0 HB VAL A 82 3.273 5.730 -8.281 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.069 7.904 -7.422 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.868 7.918 -9.191 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.655 8.701 -8.151 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.648 6.459 -6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.153 7.175 -6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.406 5.415 -6.739 1.00 0.00 H new