USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=13 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 -105:sc= -1.17 USER MOD Set 1.2: A 70 SER OG : rot -87:sc= 1.29 USER MOD Single : A 15 MET CE :methyl -138:sc= -2.82 (180deg=-6.55!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 30:sc= -0.271 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 145:sc= -2.91! (180deg=-4.8!) USER MOD Single : A 36 GLN : amide:sc= -1.42 K(o=-1.4,f=-5.6!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.201 K(o=0.2,f=-2) USER MOD Single : A 42 GLN : amide:sc= -0.0175 X(o=-0.018,f=-0.032) USER MOD Single : A 44 SER OG : rot -67:sc= -3.35! USER MOD Single : A 46 CYS SG : rot -30:sc= 0.29 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.72) USER MOD Single : A 61 SER OG : rot 164:sc= 0.778 USER MOD Single : A 62 CYS SG : rot 51:sc= -4.49! USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 90:sc= -0.461 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.353 K(o=-0.35,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 185 N MET A 15 7.275 -9.072 8.509 1.00 0.00 N ATOM 186 CA MET A 15 8.068 -7.864 8.659 1.00 0.00 C ATOM 187 C MET A 15 7.250 -6.622 8.296 1.00 0.00 C ATOM 188 O MET A 15 6.191 -6.730 7.681 1.00 0.00 O ATOM 189 CB MET A 15 9.299 -7.946 7.755 1.00 0.00 C ATOM 190 CG MET A 15 8.898 -8.241 6.308 1.00 0.00 C ATOM 191 SD MET A 15 9.969 -7.358 5.185 1.00 0.00 S ATOM 192 CE MET A 15 9.062 -5.828 5.032 1.00 0.00 C ATOM 0 HA MET A 15 8.376 -7.781 9.701 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.850 -7.007 7.799 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.969 -8.726 8.117 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.960 -9.312 6.116 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.862 -7.947 6.142 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.064 -5.507 3.990 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.035 -5.979 5.364 1.00 0.00 H new ATOM 0 HE3 MET A 15 9.533 -5.062 5.648 1.00 0.00 H new ATOM 202 N THR A 16 7.774 -5.472 8.693 1.00 0.00 N ATOM 203 CA THR A 16 7.106 -4.211 8.417 1.00 0.00 C ATOM 204 C THR A 16 7.972 -3.336 7.509 1.00 0.00 C ATOM 205 O THR A 16 9.195 -3.327 7.632 1.00 0.00 O ATOM 206 CB THR A 16 6.771 -3.551 9.756 1.00 0.00 C ATOM 207 OG1 THR A 16 5.866 -4.461 10.375 1.00 0.00 O ATOM 208 CG2 THR A 16 5.953 -2.269 9.589 1.00 0.00 C ATOM 0 H THR A 16 8.653 -5.387 9.203 1.00 0.00 H new ATOM 0 HA THR A 16 6.175 -4.368 7.873 1.00 0.00 H new ATOM 0 HB THR A 16 7.694 -3.326 10.290 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.598 -4.112 11.251 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.743 -1.841 10.569 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.518 -1.552 8.994 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.015 -2.499 9.085 1.00 0.00 H new ATOM 216 N GLU A 17 7.302 -2.622 6.616 1.00 0.00 N ATOM 217 CA GLU A 17 7.995 -1.745 5.687 1.00 0.00 C ATOM 218 C GLU A 17 7.270 -0.402 5.583 1.00 0.00 C ATOM 219 O GLU A 17 6.044 -0.347 5.660 1.00 0.00 O ATOM 220 CB GLU A 17 8.131 -2.402 4.312 1.00 0.00 C ATOM 221 CG GLU A 17 8.884 -1.490 3.341 1.00 0.00 C ATOM 222 CD GLU A 17 10.395 -1.582 3.563 1.00 0.00 C ATOM 223 OE1 GLU A 17 10.801 -1.498 4.742 1.00 0.00 O ATOM 224 OE2 GLU A 17 11.110 -1.733 2.549 1.00 0.00 O ATOM 0 H GLU A 17 6.287 -2.633 6.516 1.00 0.00 H new ATOM 0 HA GLU A 17 9.000 -1.564 6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.659 -3.351 4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.142 -2.627 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.646 -1.770 2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.555 -0.459 3.475 1.00 0.00 H new ATOM 231 N GLU A 18 8.059 0.648 5.411 1.00 0.00 N ATOM 232 CA GLU A 18 7.508 1.988 5.296 1.00 0.00 C ATOM 233 C GLU A 18 7.656 2.501 3.862 1.00 0.00 C ATOM 234 O GLU A 18 8.761 2.818 3.423 1.00 0.00 O ATOM 235 CB GLU A 18 8.173 2.941 6.291 1.00 0.00 C ATOM 236 CG GLU A 18 7.855 4.398 5.951 1.00 0.00 C ATOM 237 CD GLU A 18 7.934 5.283 7.197 1.00 0.00 C ATOM 238 OE1 GLU A 18 6.951 5.263 7.970 1.00 0.00 O ATOM 239 OE2 GLU A 18 8.975 5.958 7.348 1.00 0.00 O ATOM 0 H GLU A 18 9.076 0.598 5.348 1.00 0.00 H new ATOM 0 HA GLU A 18 6.446 1.946 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.829 2.716 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.252 2.789 6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.555 4.760 5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.858 4.464 5.516 1.00 0.00 H new ATOM 246 N TYR A 19 6.527 2.569 3.173 1.00 0.00 N ATOM 247 CA TYR A 19 6.517 3.039 1.798 1.00 0.00 C ATOM 248 C TYR A 19 5.813 4.393 1.686 1.00 0.00 C ATOM 249 O TYR A 19 4.645 4.521 2.050 1.00 0.00 O ATOM 250 CB TYR A 19 5.725 1.999 1.003 1.00 0.00 C ATOM 251 CG TYR A 19 5.924 2.090 -0.512 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.172 1.872 -1.058 1.00 0.00 C ATOM 253 CD2 TYR A 19 4.855 2.389 -1.332 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.360 1.957 -2.483 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.043 2.475 -2.757 1.00 0.00 C ATOM 256 CZ TYR A 19 6.286 2.254 -3.262 1.00 0.00 C ATOM 257 OH TYR A 19 6.463 2.335 -4.608 1.00 0.00 O ATOM 0 H TYR A 19 5.613 2.307 3.541 1.00 0.00 H new ATOM 0 HA TYR A 19 7.535 3.163 1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.014 1.003 1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.665 2.115 1.228 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.008 1.637 -0.416 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.878 2.558 -0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.332 1.789 -2.923 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.215 2.710 -3.410 1.00 0.00 H new ATOM 0 HH TYR A 19 7.186 1.732 -4.880 1.00 0.00 H new ATOM 267 N LYS A 20 6.554 5.369 1.182 1.00 0.00 N ATOM 268 CA LYS A 20 6.016 6.709 1.018 1.00 0.00 C ATOM 269 C LYS A 20 5.455 6.859 -0.397 1.00 0.00 C ATOM 270 O LYS A 20 6.115 6.500 -1.371 1.00 0.00 O ATOM 271 CB LYS A 20 7.071 7.757 1.376 1.00 0.00 C ATOM 272 CG LYS A 20 7.072 8.044 2.879 1.00 0.00 C ATOM 273 CD LYS A 20 7.163 9.546 3.151 1.00 0.00 C ATOM 274 CE LYS A 20 8.300 9.860 4.126 1.00 0.00 C ATOM 275 NZ LYS A 20 9.406 10.551 3.427 1.00 0.00 N ATOM 0 H LYS A 20 7.523 5.259 0.882 1.00 0.00 H new ATOM 0 HA LYS A 20 5.189 6.875 1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.056 7.406 1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.875 8.678 0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.164 7.644 3.330 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.913 7.534 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.325 10.079 2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.218 9.903 3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.928 10.485 4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.666 8.937 4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.169 10.757 4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.771 9.942 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.056 11.441 3.019 1.00 0.00 H new ATOM 289 N VAL A 21 4.243 7.389 -0.466 1.00 0.00 N ATOM 290 CA VAL A 21 3.586 7.591 -1.746 1.00 0.00 C ATOM 291 C VAL A 21 3.105 9.040 -1.845 1.00 0.00 C ATOM 292 O VAL A 21 2.968 9.723 -0.831 1.00 0.00 O ATOM 293 CB VAL A 21 2.457 6.574 -1.921 1.00 0.00 C ATOM 294 CG1 VAL A 21 3.004 5.222 -2.384 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.648 6.425 -0.630 1.00 0.00 C ATOM 0 H VAL A 21 3.698 7.685 0.344 1.00 0.00 H new ATOM 0 HA VAL A 21 4.286 7.424 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 21 1.787 6.947 -2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.181 4.517 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.515 5.344 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.706 4.840 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.852 5.696 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.303 6.085 0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.213 7.387 -0.360 1.00 0.00 H new ATOM 305 N PRO A 22 2.857 9.479 -3.108 1.00 0.00 N ATOM 306 CA PRO A 22 2.394 10.834 -3.352 1.00 0.00 C ATOM 307 C PRO A 22 0.920 10.988 -2.971 1.00 0.00 C ATOM 308 O PRO A 22 0.058 10.308 -3.526 1.00 0.00 O ATOM 309 CB PRO A 22 2.655 11.078 -4.830 1.00 0.00 C ATOM 310 CG PRO A 22 2.820 9.704 -5.456 1.00 0.00 C ATOM 311 CD PRO A 22 3.008 8.698 -4.332 1.00 0.00 C ATOM 0 HA PRO A 22 2.914 11.573 -2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.827 11.619 -5.289 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.550 11.683 -4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.945 9.449 -6.053 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.679 9.691 -6.127 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.268 7.900 -4.387 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.989 8.226 -4.382 1.00 0.00 H new ATOM 319 N ASP A 23 0.676 11.885 -2.028 1.00 0.00 N ATOM 320 CA ASP A 23 -0.678 12.137 -1.567 1.00 0.00 C ATOM 321 C ASP A 23 -1.572 12.448 -2.769 1.00 0.00 C ATOM 322 O ASP A 23 -2.786 12.258 -2.710 1.00 0.00 O ATOM 323 CB ASP A 23 -0.724 13.338 -0.620 1.00 0.00 C ATOM 324 CG ASP A 23 -2.103 13.978 -0.453 1.00 0.00 C ATOM 325 OD1 ASP A 23 -3.029 13.237 -0.056 1.00 0.00 O ATOM 326 OD2 ASP A 23 -2.202 15.194 -0.727 1.00 0.00 O ATOM 0 H ASP A 23 1.394 12.447 -1.570 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.025 11.249 -1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.366 13.023 0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.030 14.096 -0.985 1.00 0.00 H new ATOM 331 N GLY A 24 -0.937 12.922 -3.831 1.00 0.00 N ATOM 332 CA GLY A 24 -1.660 13.261 -5.045 1.00 0.00 C ATOM 333 C GLY A 24 -2.067 12.001 -5.811 1.00 0.00 C ATOM 334 O GLY A 24 -2.740 12.085 -6.838 1.00 0.00 O ATOM 0 H GLY A 24 0.070 13.079 -3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.548 13.841 -4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.037 13.891 -5.680 1.00 0.00 H new ATOM 338 N MET A 25 -1.642 10.863 -5.283 1.00 0.00 N ATOM 339 CA MET A 25 -1.954 9.587 -5.904 1.00 0.00 C ATOM 340 C MET A 25 -2.648 8.650 -4.914 1.00 0.00 C ATOM 341 O MET A 25 -3.585 7.941 -5.277 1.00 0.00 O ATOM 342 CB MET A 25 -0.665 8.935 -6.407 1.00 0.00 C ATOM 343 CG MET A 25 0.006 9.800 -7.477 1.00 0.00 C ATOM 344 SD MET A 25 -1.126 10.088 -8.826 1.00 0.00 S ATOM 345 CE MET A 25 -1.104 8.480 -9.599 1.00 0.00 C ATOM 0 H MET A 25 -1.084 10.798 -4.432 1.00 0.00 H new ATOM 0 HA MET A 25 -2.630 9.767 -6.740 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.020 8.785 -5.573 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.888 7.950 -6.817 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.319 10.750 -7.045 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.905 9.306 -7.845 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.093 8.254 -9.997 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.376 8.476 -10.411 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.829 7.726 -8.862 1.00 0.00 H new ATOM 355 N VAL A 26 -2.160 8.677 -3.682 1.00 0.00 N ATOM 356 CA VAL A 26 -2.722 7.838 -2.637 1.00 0.00 C ATOM 357 C VAL A 26 -4.249 7.891 -2.711 1.00 0.00 C ATOM 358 O VAL A 26 -4.910 6.854 -2.733 1.00 0.00 O ATOM 359 CB VAL A 26 -2.175 8.265 -1.273 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.871 9.534 -0.776 1.00 0.00 C ATOM 361 CG2 VAL A 26 -2.303 7.133 -0.252 1.00 0.00 C ATOM 0 H VAL A 26 -1.382 9.266 -3.384 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.426 6.799 -2.781 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.115 8.489 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.464 9.816 0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.705 10.343 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.941 9.349 -0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.907 7.463 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.353 6.863 -0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.740 6.266 -0.598 1.00 0.00 H new ATOM 371 N GLY A 27 -4.766 9.111 -2.748 1.00 0.00 N ATOM 372 CA GLY A 27 -6.203 9.313 -2.820 1.00 0.00 C ATOM 373 C GLY A 27 -6.824 8.445 -3.917 1.00 0.00 C ATOM 374 O GLY A 27 -7.978 8.032 -3.807 1.00 0.00 O ATOM 0 H GLY A 27 -4.215 9.969 -2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.657 9.071 -1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.417 10.363 -3.018 1.00 0.00 H new ATOM 378 N PHE A 28 -6.033 8.195 -4.949 1.00 0.00 N ATOM 379 CA PHE A 28 -6.491 7.385 -6.065 1.00 0.00 C ATOM 380 C PHE A 28 -6.087 5.920 -5.880 1.00 0.00 C ATOM 381 O PHE A 28 -6.680 5.028 -6.485 1.00 0.00 O ATOM 382 CB PHE A 28 -5.815 7.933 -7.323 1.00 0.00 C ATOM 383 CG PHE A 28 -5.669 6.906 -8.448 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.730 6.136 -8.809 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.477 6.764 -9.087 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.593 5.183 -9.853 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.340 5.811 -10.131 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.402 5.041 -10.492 1.00 0.00 C ATOM 0 H PHE A 28 -5.077 8.539 -5.036 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.578 7.429 -6.136 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.391 8.782 -7.692 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.827 8.309 -7.058 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.677 6.249 -8.302 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.634 7.376 -8.801 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.436 4.571 -10.139 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.393 5.698 -10.638 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.299 4.317 -11.287 1.00 0.00 H new ATOM 398 N ILE A 29 -5.081 5.718 -5.042 1.00 0.00 N ATOM 399 CA ILE A 29 -4.591 4.377 -4.770 1.00 0.00 C ATOM 400 C ILE A 29 -5.680 3.577 -4.053 1.00 0.00 C ATOM 401 O ILE A 29 -5.881 2.398 -4.341 1.00 0.00 O ATOM 402 CB ILE A 29 -3.267 4.435 -4.007 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.180 5.112 -4.846 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.843 3.042 -3.537 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.788 4.809 -4.287 1.00 0.00 C ATOM 0 H ILE A 29 -4.592 6.460 -4.542 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.372 3.855 -5.701 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.413 5.045 -3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.244 4.767 -5.878 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.344 6.190 -4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.899 3.112 -2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.608 2.632 -2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.720 2.388 -4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.034 5.302 -4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.719 5.177 -3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.618 3.732 -4.298 1.00 0.00 H new ATOM 417 N ILE A 30 -6.354 4.250 -3.132 1.00 0.00 N ATOM 418 CA ILE A 30 -7.417 3.616 -2.371 1.00 0.00 C ATOM 419 C ILE A 30 -8.475 3.073 -3.334 1.00 0.00 C ATOM 420 O ILE A 30 -8.710 1.867 -3.389 1.00 0.00 O ATOM 421 CB ILE A 30 -7.977 4.582 -1.324 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.852 5.365 -0.644 1.00 0.00 C ATOM 423 CG2 ILE A 30 -8.855 3.845 -0.312 1.00 0.00 C ATOM 424 CD1 ILE A 30 -6.892 6.841 -1.043 1.00 0.00 C ATOM 0 H ILE A 30 -6.185 5.228 -2.896 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.028 2.765 -1.811 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.612 5.307 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.944 5.275 0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.888 4.936 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.240 4.554 0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.688 3.371 -0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.263 3.084 0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.082 7.374 -0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.775 6.929 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.847 7.273 -0.745 1.00 0.00 H new ATOM 436 N GLY A 31 -9.085 3.991 -4.070 1.00 0.00 N ATOM 437 CA GLY A 31 -10.112 3.619 -5.029 1.00 0.00 C ATOM 438 C GLY A 31 -11.507 3.742 -4.412 1.00 0.00 C ATOM 439 O GLY A 31 -12.238 2.757 -4.322 1.00 0.00 O ATOM 0 H GLY A 31 -8.888 4.991 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.042 4.258 -5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.948 2.595 -5.365 1.00 0.00 H new ATOM 481 N GLU A 35 -10.821 -0.003 -2.953 1.00 0.00 N ATOM 482 CA GLU A 35 -10.967 -1.113 -3.880 1.00 0.00 C ATOM 483 C GLU A 35 -9.751 -1.195 -4.805 1.00 0.00 C ATOM 484 O GLU A 35 -9.385 -2.277 -5.261 1.00 0.00 O ATOM 485 CB GLU A 35 -12.261 -0.988 -4.685 1.00 0.00 C ATOM 486 CG GLU A 35 -12.330 -2.054 -5.780 1.00 0.00 C ATOM 487 CD GLU A 35 -13.756 -2.586 -5.939 1.00 0.00 C ATOM 488 OE1 GLU A 35 -14.668 -1.739 -6.054 1.00 0.00 O ATOM 489 OE2 GLU A 35 -13.902 -3.828 -5.941 1.00 0.00 O ATOM 0 HA GLU A 35 -11.024 -2.037 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.119 -1.089 -4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.320 0.004 -5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.988 -1.632 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.657 -2.876 -5.535 1.00 0.00 H new ATOM 496 N GLN A 36 -9.158 -0.037 -5.055 1.00 0.00 N ATOM 497 CA GLN A 36 -7.992 0.036 -5.918 1.00 0.00 C ATOM 498 C GLN A 36 -6.767 -0.542 -5.205 1.00 0.00 C ATOM 499 O GLN A 36 -5.898 -1.136 -5.840 1.00 0.00 O ATOM 500 CB GLN A 36 -7.734 1.475 -6.371 1.00 0.00 C ATOM 501 CG GLN A 36 -6.397 1.587 -7.107 1.00 0.00 C ATOM 502 CD GLN A 36 -6.584 2.205 -8.493 1.00 0.00 C ATOM 503 OE1 GLN A 36 -7.664 2.629 -8.872 1.00 0.00 O ATOM 504 NE2 GLN A 36 -5.476 2.233 -9.228 1.00 0.00 N ATOM 0 H GLN A 36 -9.464 0.859 -4.675 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.186 -0.561 -6.809 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.542 1.805 -7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.733 2.138 -5.506 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.707 2.196 -6.524 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.947 0.599 -7.203 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.604 1.861 -8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.498 2.626 -10.169 1.00 0.00 H new ATOM 513 N ILE A 37 -6.739 -0.347 -3.894 1.00 0.00 N ATOM 514 CA ILE A 37 -5.636 -0.842 -3.088 1.00 0.00 C ATOM 515 C ILE A 37 -5.869 -2.318 -2.763 1.00 0.00 C ATOM 516 O ILE A 37 -4.919 -3.093 -2.659 1.00 0.00 O ATOM 517 CB ILE A 37 -5.440 0.037 -1.851 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.164 -0.350 -1.100 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.673 -0.006 -0.947 1.00 0.00 C ATOM 520 CD1 ILE A 37 -2.930 0.268 -1.761 1.00 0.00 C ATOM 0 H ILE A 37 -7.462 0.147 -3.371 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.701 -0.782 -3.645 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.319 1.069 -2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.232 -0.016 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.065 -1.435 -1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.507 0.627 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.541 0.355 -1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.851 -1.031 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.037 -0.023 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.852 -0.087 -2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.021 1.354 -1.758 1.00 0.00 H new ATOM 532 N SER A 38 -7.139 -2.664 -2.610 1.00 0.00 N ATOM 533 CA SER A 38 -7.510 -4.034 -2.299 1.00 0.00 C ATOM 534 C SER A 38 -6.859 -4.992 -3.298 1.00 0.00 C ATOM 535 O SER A 38 -6.123 -5.897 -2.907 1.00 0.00 O ATOM 536 CB SER A 38 -9.030 -4.209 -2.308 1.00 0.00 C ATOM 537 OG SER A 38 -9.431 -5.424 -1.680 1.00 0.00 O ATOM 0 H SER A 38 -7.924 -2.019 -2.696 1.00 0.00 H new ATOM 0 HA SER A 38 -7.151 -4.266 -1.296 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.495 -3.366 -1.797 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.390 -4.196 -3.337 1.00 0.00 H new ATOM 0 HG SER A 38 -10.408 -5.498 -1.705 1.00 0.00 H new ATOM 543 N ARG A 39 -7.153 -4.761 -4.569 1.00 0.00 N ATOM 544 CA ARG A 39 -6.606 -5.592 -5.627 1.00 0.00 C ATOM 545 C ARG A 39 -5.089 -5.716 -5.474 1.00 0.00 C ATOM 546 O ARG A 39 -4.510 -6.751 -5.802 1.00 0.00 O ATOM 547 CB ARG A 39 -6.927 -5.011 -7.006 1.00 0.00 C ATOM 548 CG ARG A 39 -7.471 -6.092 -7.943 1.00 0.00 C ATOM 549 CD ARG A 39 -8.625 -5.552 -8.790 1.00 0.00 C ATOM 550 NE ARG A 39 -9.900 -5.681 -8.049 1.00 0.00 N ATOM 551 CZ ARG A 39 -11.044 -5.086 -8.413 1.00 0.00 C ATOM 552 NH1 ARG A 39 -11.079 -4.317 -9.510 1.00 0.00 N ATOM 553 NH2 ARG A 39 -12.152 -5.259 -7.680 1.00 0.00 N ATOM 0 H ARG A 39 -7.764 -4.010 -4.890 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.065 -6.577 -5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.659 -4.210 -6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.028 -4.570 -7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.673 -6.449 -8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.812 -6.947 -7.359 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.445 -4.507 -9.041 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.684 -6.100 -9.730 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.908 -6.259 -7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.235 -4.185 -10.067 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.950 -3.864 -9.788 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.125 -5.844 -6.845 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.023 -4.806 -7.957 1.00 0.00 H new ATOM 567 N ILE A 40 -4.487 -4.646 -4.975 1.00 0.00 N ATOM 568 CA ILE A 40 -3.048 -4.622 -4.775 1.00 0.00 C ATOM 569 C ILE A 40 -2.694 -5.472 -3.553 1.00 0.00 C ATOM 570 O ILE A 40 -1.685 -6.175 -3.554 1.00 0.00 O ATOM 571 CB ILE A 40 -2.544 -3.180 -4.688 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.079 -2.341 -5.850 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.016 -3.138 -4.606 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.760 -0.858 -5.648 1.00 0.00 C ATOM 0 H ILE A 40 -4.970 -3.790 -4.703 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.536 -5.063 -5.630 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.928 -2.738 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.640 -2.687 -6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.157 -2.476 -5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.683 -2.102 -4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.684 -3.678 -3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.591 -3.604 -5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.151 -0.284 -6.488 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.221 -0.509 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.680 -0.723 -5.588 1.00 0.00 H new ATOM 586 N GLN A 41 -3.543 -5.379 -2.541 1.00 0.00 N ATOM 587 CA GLN A 41 -3.332 -6.131 -1.315 1.00 0.00 C ATOM 588 C GLN A 41 -3.545 -7.626 -1.566 1.00 0.00 C ATOM 589 O GLN A 41 -2.872 -8.462 -0.965 1.00 0.00 O ATOM 590 CB GLN A 41 -4.248 -5.627 -0.198 1.00 0.00 C ATOM 591 CG GLN A 41 -3.677 -4.366 0.452 1.00 0.00 C ATOM 592 CD GLN A 41 -4.593 -3.861 1.568 1.00 0.00 C ATOM 593 OE1 GLN A 41 -4.437 -4.192 2.732 1.00 0.00 O ATOM 594 NE2 GLN A 41 -5.555 -3.043 1.150 1.00 0.00 N ATOM 0 H GLN A 41 -4.379 -4.794 -2.544 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.302 -5.980 -0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.238 -5.416 -0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.371 -6.405 0.555 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.687 -4.578 0.857 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.553 -3.588 -0.302 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.629 -2.807 0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.218 -2.652 1.819 1.00 0.00 H new ATOM 603 N GLN A 42 -4.483 -7.916 -2.456 1.00 0.00 N ATOM 604 CA GLN A 42 -4.792 -9.295 -2.794 1.00 0.00 C ATOM 605 C GLN A 42 -3.797 -9.824 -3.828 1.00 0.00 C ATOM 606 O GLN A 42 -3.410 -10.991 -3.782 1.00 0.00 O ATOM 607 CB GLN A 42 -6.230 -9.426 -3.300 1.00 0.00 C ATOM 608 CG GLN A 42 -7.231 -9.268 -2.153 1.00 0.00 C ATOM 609 CD GLN A 42 -8.012 -10.564 -1.925 1.00 0.00 C ATOM 610 OE1 GLN A 42 -8.648 -11.101 -2.817 1.00 0.00 O ATOM 611 NE2 GLN A 42 -7.930 -11.033 -0.683 1.00 0.00 N ATOM 0 H GLN A 42 -5.039 -7.220 -2.953 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.703 -9.899 -1.891 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.422 -8.670 -4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.365 -10.398 -3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.703 -8.992 -1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.923 -8.457 -2.379 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.380 -10.533 0.016 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.417 -11.892 -0.429 1.00 0.00 H new ATOM 620 N GLU A 43 -3.411 -8.941 -4.737 1.00 0.00 N ATOM 621 CA GLU A 43 -2.468 -9.305 -5.781 1.00 0.00 C ATOM 622 C GLU A 43 -1.160 -9.805 -5.164 1.00 0.00 C ATOM 623 O GLU A 43 -0.714 -10.913 -5.459 1.00 0.00 O ATOM 624 CB GLU A 43 -2.214 -8.128 -6.725 1.00 0.00 C ATOM 625 CG GLU A 43 -3.104 -8.219 -7.967 1.00 0.00 C ATOM 626 CD GLU A 43 -2.463 -9.105 -9.037 1.00 0.00 C ATOM 627 OE1 GLU A 43 -1.257 -8.902 -9.294 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.194 -9.966 -9.572 1.00 0.00 O ATOM 0 H GLU A 43 -3.734 -7.974 -4.772 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.902 -10.113 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.407 -7.191 -6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.166 -8.117 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.078 -8.622 -7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.275 -7.221 -8.371 1.00 0.00 H new ATOM 635 N SER A 44 -0.582 -8.964 -4.320 1.00 0.00 N ATOM 636 CA SER A 44 0.666 -9.306 -3.659 1.00 0.00 C ATOM 637 C SER A 44 0.380 -10.074 -2.367 1.00 0.00 C ATOM 638 O SER A 44 1.264 -10.738 -1.827 1.00 0.00 O ATOM 639 CB SER A 44 1.493 -8.054 -3.360 1.00 0.00 C ATOM 640 OG SER A 44 0.813 -7.162 -2.481 1.00 0.00 O ATOM 0 H SER A 44 -0.955 -8.046 -4.078 1.00 0.00 H new ATOM 0 HA SER A 44 1.246 -9.939 -4.330 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.445 -8.346 -2.915 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.722 -7.539 -4.293 1.00 0.00 H new ATOM 0 HG SER A 44 0.029 -6.788 -2.936 1.00 0.00 H new ATOM 646 N GLY A 45 -0.858 -9.959 -1.909 1.00 0.00 N ATOM 647 CA GLY A 45 -1.271 -10.634 -0.690 1.00 0.00 C ATOM 648 C GLY A 45 -0.586 -10.024 0.534 1.00 0.00 C ATOM 649 O GLY A 45 -0.393 -10.700 1.543 1.00 0.00 O ATOM 0 H GLY A 45 -1.589 -9.408 -2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.353 -10.562 -0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.027 -11.694 -0.757 1.00 0.00 H new ATOM 653 N CYS A 46 -0.238 -8.752 0.405 1.00 0.00 N ATOM 654 CA CYS A 46 0.421 -8.042 1.489 1.00 0.00 C ATOM 655 C CYS A 46 -0.566 -7.026 2.067 1.00 0.00 C ATOM 656 O CYS A 46 -1.521 -6.632 1.399 1.00 0.00 O ATOM 657 CB CYS A 46 1.718 -7.378 1.023 1.00 0.00 C ATOM 658 SG CYS A 46 3.031 -7.625 2.274 1.00 0.00 S ATOM 0 H CYS A 46 -0.400 -8.194 -0.434 1.00 0.00 H new ATOM 0 HA CYS A 46 0.711 -8.748 2.267 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.030 -7.801 0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.553 -6.313 0.862 1.00 0.00 H new ATOM 0 HG CYS A 46 2.496 -7.698 3.456 1.00 0.00 H new ATOM 664 N LYS A 47 -0.301 -6.629 3.303 1.00 0.00 N ATOM 665 CA LYS A 47 -1.153 -5.666 3.979 1.00 0.00 C ATOM 666 C LYS A 47 -0.631 -4.253 3.711 1.00 0.00 C ATOM 667 O LYS A 47 0.579 -4.031 3.672 1.00 0.00 O ATOM 668 CB LYS A 47 -1.271 -6.006 5.466 1.00 0.00 C ATOM 669 CG LYS A 47 -2.556 -5.425 6.061 1.00 0.00 C ATOM 670 CD LYS A 47 -3.041 -6.266 7.243 1.00 0.00 C ATOM 671 CE LYS A 47 -3.648 -5.380 8.333 1.00 0.00 C ATOM 672 NZ LYS A 47 -5.124 -5.486 8.326 1.00 0.00 N ATOM 0 H LYS A 47 0.492 -6.957 3.854 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.168 -5.712 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.262 -7.088 5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.407 -5.613 6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.379 -4.400 6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.331 -5.386 5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.783 -6.987 6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.208 -6.836 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.261 -5.676 9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.351 -4.343 8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.519 -4.878 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.490 -5.181 7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.402 -6.473 8.500 1.00 0.00 H new ATOM 686 N ILE A 48 -1.568 -3.334 3.532 1.00 0.00 N ATOM 687 CA ILE A 48 -1.218 -1.949 3.269 1.00 0.00 C ATOM 688 C ILE A 48 -2.053 -1.036 4.169 1.00 0.00 C ATOM 689 O ILE A 48 -3.247 -0.853 3.938 1.00 0.00 O ATOM 690 CB ILE A 48 -1.357 -1.635 1.777 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.376 -2.467 0.949 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.200 -0.136 1.515 1.00 0.00 C ATOM 693 CD1 ILE A 48 -0.948 -2.769 -0.438 1.00 0.00 C ATOM 0 H ILE A 48 -2.570 -3.522 3.564 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.171 -1.768 3.514 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.363 -1.913 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.567 -1.930 0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.157 -3.401 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.303 0.060 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.969 0.411 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.216 0.191 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.231 -3.362 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.879 -3.327 -0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.143 -1.834 -0.963 1.00 0.00 H new ATOM 705 N GLN A 49 -1.391 -0.487 5.177 1.00 0.00 N ATOM 706 CA GLN A 49 -2.057 0.403 6.113 1.00 0.00 C ATOM 707 C GLN A 49 -1.657 1.854 5.843 1.00 0.00 C ATOM 708 O GLN A 49 -0.563 2.280 6.213 1.00 0.00 O ATOM 709 CB GLN A 49 -1.747 0.009 7.559 1.00 0.00 C ATOM 710 CG GLN A 49 -2.918 -0.755 8.182 1.00 0.00 C ATOM 711 CD GLN A 49 -3.110 -0.363 9.648 1.00 0.00 C ATOM 712 OE1 GLN A 49 -2.994 0.790 10.029 1.00 0.00 O ATOM 713 NE2 GLN A 49 -3.411 -1.384 10.446 1.00 0.00 N ATOM 0 H GLN A 49 -0.401 -0.641 5.366 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.133 0.311 5.968 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.849 -0.608 7.587 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.538 0.903 8.146 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.831 -0.547 7.624 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.737 -1.827 8.109 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.493 -2.325 10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.560 -1.226 11.443 1.00 0.00 H new ATOM 722 N ILE A 50 -2.564 2.575 5.200 1.00 0.00 N ATOM 723 CA ILE A 50 -2.319 3.970 4.875 1.00 0.00 C ATOM 724 C ILE A 50 -3.014 4.859 5.908 1.00 0.00 C ATOM 725 O ILE A 50 -4.150 4.593 6.297 1.00 0.00 O ATOM 726 CB ILE A 50 -2.732 4.265 3.432 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.392 3.090 2.513 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.112 5.575 2.941 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.736 3.415 1.058 1.00 0.00 C ATOM 0 H ILE A 50 -3.470 2.219 4.895 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.253 4.192 4.928 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.814 4.391 3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.331 2.854 2.596 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.941 2.204 2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.422 5.761 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.447 6.396 3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.025 5.502 2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.485 2.563 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.802 3.627 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.167 4.287 0.736 1.00 0.00 H new ATOM 741 N ALA A 51 -2.303 5.897 6.324 1.00 0.00 N ATOM 742 CA ALA A 51 -2.838 6.826 7.304 1.00 0.00 C ATOM 743 C ALA A 51 -3.988 7.616 6.677 1.00 0.00 C ATOM 744 O ALA A 51 -4.104 7.686 5.454 1.00 0.00 O ATOM 745 CB ALA A 51 -1.716 7.734 7.812 1.00 0.00 C ATOM 0 H ALA A 51 -1.361 6.115 6.000 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.238 6.289 8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.117 8.431 8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.938 7.127 8.274 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.293 8.292 6.976 1.00 0.00 H new ATOM 821 N PRO A 58 4.735 15.592 2.099 1.00 0.00 N ATOM 822 CA PRO A 58 3.903 15.530 0.909 1.00 0.00 C ATOM 823 C PRO A 58 3.549 14.083 0.562 1.00 0.00 C ATOM 824 O PRO A 58 2.517 13.823 -0.056 1.00 0.00 O ATOM 825 CB PRO A 58 4.716 16.219 -0.175 1.00 0.00 C ATOM 826 CG PRO A 58 6.152 16.227 0.322 1.00 0.00 C ATOM 827 CD PRO A 58 6.135 15.880 1.802 1.00 0.00 C ATOM 0 HA PRO A 58 2.941 16.024 1.042 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.634 15.687 -1.123 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.357 17.234 -0.347 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.752 15.505 -0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.605 17.206 0.165 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.770 15.020 2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.506 16.707 2.407 1.00 0.00 H new ATOM 835 N GLU A 59 4.424 13.178 0.975 1.00 0.00 N ATOM 836 CA GLU A 59 4.216 11.763 0.716 1.00 0.00 C ATOM 837 C GLU A 59 3.537 11.098 1.914 1.00 0.00 C ATOM 838 O GLU A 59 3.925 11.327 3.059 1.00 0.00 O ATOM 839 CB GLU A 59 5.537 11.068 0.379 1.00 0.00 C ATOM 840 CG GLU A 59 5.992 11.414 -1.040 1.00 0.00 C ATOM 841 CD GLU A 59 7.371 12.078 -1.028 1.00 0.00 C ATOM 842 OE1 GLU A 59 8.362 11.325 -0.914 1.00 0.00 O ATOM 843 OE2 GLU A 59 7.402 13.323 -1.132 1.00 0.00 O ATOM 0 H GLU A 59 5.279 13.397 1.487 1.00 0.00 H new ATOM 0 HA GLU A 59 3.560 11.664 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.303 11.369 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.419 9.989 0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.026 10.508 -1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.267 12.082 -1.505 1.00 0.00 H new ATOM 850 N ARG A 60 2.534 10.287 1.610 1.00 0.00 N ATOM 851 CA ARG A 60 1.796 9.587 2.648 1.00 0.00 C ATOM 852 C ARG A 60 2.464 8.246 2.961 1.00 0.00 C ATOM 853 O ARG A 60 2.656 7.421 2.070 1.00 0.00 O ATOM 854 CB ARG A 60 0.347 9.340 2.224 1.00 0.00 C ATOM 855 CG ARG A 60 -0.373 8.440 3.230 1.00 0.00 C ATOM 856 CD ARG A 60 -1.088 9.272 4.296 1.00 0.00 C ATOM 857 NE ARG A 60 -0.095 9.946 5.163 1.00 0.00 N ATOM 858 CZ ARG A 60 0.660 9.314 6.072 1.00 0.00 C ATOM 859 NH1 ARG A 60 0.540 7.990 6.239 1.00 0.00 N ATOM 860 NH2 ARG A 60 1.535 10.006 6.814 1.00 0.00 N ATOM 0 H ARG A 60 2.215 10.099 0.660 1.00 0.00 H new ATOM 0 HA ARG A 60 1.799 10.216 3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.178 10.291 2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.327 8.877 1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.095 7.811 2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.346 7.773 3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.730 10.013 3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.733 8.631 4.898 1.00 0.00 H new ATOM 0 HE ARG A 60 0.022 10.954 5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.126 7.463 5.674 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.115 7.509 6.931 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.626 11.014 6.687 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.110 9.525 7.506 1.00 0.00 H new ATOM 874 N SER A 61 2.800 8.071 4.231 1.00 0.00 N ATOM 875 CA SER A 61 3.442 6.845 4.673 1.00 0.00 C ATOM 876 C SER A 61 2.429 5.698 4.682 1.00 0.00 C ATOM 877 O SER A 61 1.287 5.877 5.103 1.00 0.00 O ATOM 878 CB SER A 61 4.062 7.017 6.061 1.00 0.00 C ATOM 879 OG SER A 61 4.910 5.925 6.406 1.00 0.00 O ATOM 0 H SER A 61 2.640 8.758 4.968 1.00 0.00 H new ATOM 0 HA SER A 61 4.244 6.608 3.974 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.635 7.944 6.090 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.269 7.109 6.803 1.00 0.00 H new ATOM 0 HG SER A 61 5.481 6.180 7.161 1.00 0.00 H new ATOM 885 N CYS A 62 2.884 4.545 4.213 1.00 0.00 N ATOM 886 CA CYS A 62 2.032 3.369 4.162 1.00 0.00 C ATOM 887 C CYS A 62 2.779 2.206 4.818 1.00 0.00 C ATOM 888 O CYS A 62 3.814 1.768 4.318 1.00 0.00 O ATOM 889 CB CYS A 62 1.608 3.040 2.729 1.00 0.00 C ATOM 890 SG CYS A 62 0.800 4.493 1.966 1.00 0.00 S ATOM 0 H CYS A 62 3.832 4.400 3.865 1.00 0.00 H new ATOM 0 HA CYS A 62 1.109 3.561 4.709 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.478 2.747 2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.924 2.192 2.729 1.00 0.00 H new ATOM 0 HG CYS A 62 1.554 5.540 2.121 1.00 0.00 H new ATOM 896 N MET A 63 2.225 1.740 5.927 1.00 0.00 N ATOM 897 CA MET A 63 2.826 0.636 6.657 1.00 0.00 C ATOM 898 C MET A 63 2.417 -0.709 6.052 1.00 0.00 C ATOM 899 O MET A 63 1.239 -1.062 6.054 1.00 0.00 O ATOM 900 CB MET A 63 2.386 0.692 8.121 1.00 0.00 C ATOM 901 CG MET A 63 2.858 1.986 8.786 1.00 0.00 C ATOM 902 SD MET A 63 3.641 1.619 10.348 1.00 0.00 S ATOM 903 CE MET A 63 5.320 1.357 9.799 1.00 0.00 C ATOM 0 H MET A 63 1.366 2.106 6.338 1.00 0.00 H new ATOM 0 HA MET A 63 3.910 0.729 6.590 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.300 0.623 8.181 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.790 -0.166 8.659 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.558 2.506 8.132 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.011 2.654 8.942 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.949 1.116 10.656 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.345 0.533 9.086 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.691 2.263 9.319 1.00 0.00 H new ATOM 913 N LEU A 64 3.413 -1.422 5.547 1.00 0.00 N ATOM 914 CA LEU A 64 3.172 -2.720 4.940 1.00 0.00 C ATOM 915 C LEU A 64 3.474 -3.819 5.960 1.00 0.00 C ATOM 916 O LEU A 64 4.341 -3.655 6.817 1.00 0.00 O ATOM 917 CB LEU A 64 3.961 -2.856 3.636 1.00 0.00 C ATOM 918 CG LEU A 64 3.732 -1.758 2.596 1.00 0.00 C ATOM 919 CD1 LEU A 64 5.040 -1.037 2.263 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.054 -2.321 1.345 1.00 0.00 C ATOM 0 H LEU A 64 4.389 -1.125 5.546 1.00 0.00 H new ATOM 0 HA LEU A 64 2.123 -2.823 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.023 -2.883 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.713 -3.816 3.183 1.00 0.00 H new ATOM 0 HG LEU A 64 3.056 -1.018 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.849 -0.261 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.445 -0.583 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.758 -1.753 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.903 -1.520 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.686 -3.093 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.090 -2.752 1.616 1.00 0.00 H new ATOM 932 N THR A 65 2.742 -4.917 5.834 1.00 0.00 N ATOM 933 CA THR A 65 2.921 -6.043 6.734 1.00 0.00 C ATOM 934 C THR A 65 2.724 -7.362 5.983 1.00 0.00 C ATOM 935 O THR A 65 1.717 -7.549 5.303 1.00 0.00 O ATOM 936 CB THR A 65 1.960 -5.865 7.911 1.00 0.00 C ATOM 937 OG1 THR A 65 2.259 -4.563 8.409 1.00 0.00 O ATOM 938 CG2 THR A 65 2.288 -6.795 9.081 1.00 0.00 C ATOM 0 H THR A 65 2.024 -5.050 5.122 1.00 0.00 H new ATOM 0 HA THR A 65 3.937 -6.077 7.128 1.00 0.00 H new ATOM 0 HB THR A 65 0.939 -6.049 7.577 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.698 -3.901 7.953 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.576 -6.628 9.889 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.225 -7.832 8.750 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.297 -6.589 9.438 1.00 0.00 H new ATOM 946 N GLY A 66 3.703 -8.242 6.132 1.00 0.00 N ATOM 947 CA GLY A 66 3.650 -9.538 5.477 1.00 0.00 C ATOM 948 C GLY A 66 5.036 -9.962 4.987 1.00 0.00 C ATOM 949 O GLY A 66 6.043 -9.372 5.376 1.00 0.00 O ATOM 0 H GLY A 66 4.537 -8.083 6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.262 -10.284 6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.960 -9.496 4.634 1.00 0.00 H new ATOM 953 N THR A 67 5.043 -10.980 4.140 1.00 0.00 N ATOM 954 CA THR A 67 6.289 -11.489 3.592 1.00 0.00 C ATOM 955 C THR A 67 7.047 -10.376 2.867 1.00 0.00 C ATOM 956 O THR A 67 6.469 -9.344 2.529 1.00 0.00 O ATOM 957 CB THR A 67 5.958 -12.684 2.695 1.00 0.00 C ATOM 958 OG1 THR A 67 4.822 -12.254 1.950 1.00 0.00 O ATOM 959 CG2 THR A 67 5.449 -13.889 3.489 1.00 0.00 C ATOM 0 H THR A 67 4.206 -11.467 3.819 1.00 0.00 H new ATOM 0 HA THR A 67 6.957 -11.833 4.382 1.00 0.00 H new ATOM 0 HB THR A 67 6.845 -12.971 2.130 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.018 -12.693 2.297 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.229 -14.709 2.805 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.212 -14.205 4.200 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.543 -13.613 4.028 1.00 0.00 H new ATOM 967 N PRO A 68 8.365 -10.630 2.642 1.00 0.00 N ATOM 968 CA PRO A 68 9.208 -9.661 1.963 1.00 0.00 C ATOM 969 C PRO A 68 8.920 -9.642 0.460 1.00 0.00 C ATOM 970 O PRO A 68 8.972 -8.588 -0.172 1.00 0.00 O ATOM 971 CB PRO A 68 10.632 -10.081 2.289 1.00 0.00 C ATOM 972 CG PRO A 68 10.544 -11.528 2.749 1.00 0.00 C ATOM 973 CD PRO A 68 9.083 -11.841 3.028 1.00 0.00 C ATOM 0 HA PRO A 68 9.023 -8.639 2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.277 -9.987 1.415 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.057 -9.448 3.068 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.938 -12.196 1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.145 -11.681 3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.745 -12.702 2.452 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.923 -12.078 4.080 1.00 0.00 H new ATOM 981 N GLU A 69 8.622 -10.820 -0.068 1.00 0.00 N ATOM 982 CA GLU A 69 8.326 -10.952 -1.484 1.00 0.00 C ATOM 983 C GLU A 69 6.974 -10.311 -1.806 1.00 0.00 C ATOM 984 O GLU A 69 6.725 -9.917 -2.944 1.00 0.00 O ATOM 985 CB GLU A 69 8.354 -12.419 -1.916 1.00 0.00 C ATOM 986 CG GLU A 69 9.717 -12.792 -2.504 1.00 0.00 C ATOM 987 CD GLU A 69 9.841 -14.306 -2.682 1.00 0.00 C ATOM 988 OE1 GLU A 69 9.634 -15.015 -1.674 1.00 0.00 O ATOM 989 OE2 GLU A 69 10.141 -14.720 -3.823 1.00 0.00 O ATOM 0 H GLU A 69 8.579 -11.692 0.460 1.00 0.00 H new ATOM 0 HA GLU A 69 9.098 -10.427 -2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.136 -13.058 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.573 -12.599 -2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.850 -12.297 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.510 -12.433 -1.849 1.00 0.00 H new ATOM 996 N SER A 70 6.137 -10.228 -0.782 1.00 0.00 N ATOM 997 CA SER A 70 4.817 -9.642 -0.941 1.00 0.00 C ATOM 998 C SER A 70 4.896 -8.122 -0.786 1.00 0.00 C ATOM 999 O SER A 70 4.154 -7.388 -1.437 1.00 0.00 O ATOM 1000 CB SER A 70 3.829 -10.228 0.069 1.00 0.00 C ATOM 1001 OG SER A 70 3.363 -11.516 -0.324 1.00 0.00 O ATOM 0 H SER A 70 6.347 -10.557 0.160 1.00 0.00 H new ATOM 0 HA SER A 70 4.456 -9.880 -1.942 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.308 -10.298 1.045 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.980 -9.553 0.179 1.00 0.00 H new ATOM 0 HG SER A 70 2.583 -11.417 -0.909 1.00 0.00 H new ATOM 1007 N VAL A 71 5.804 -7.694 0.079 1.00 0.00 N ATOM 1008 CA VAL A 71 5.990 -6.275 0.328 1.00 0.00 C ATOM 1009 C VAL A 71 6.429 -5.588 -0.967 1.00 0.00 C ATOM 1010 O VAL A 71 5.870 -4.561 -1.349 1.00 0.00 O ATOM 1011 CB VAL A 71 6.978 -6.070 1.478 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.295 -4.586 1.672 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.449 -6.691 2.772 1.00 0.00 C ATOM 0 H VAL A 71 6.419 -8.305 0.616 1.00 0.00 H new ATOM 0 HA VAL A 71 5.052 -5.816 0.638 1.00 0.00 H new ATOM 0 HB VAL A 71 7.906 -6.579 1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.999 -4.469 2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.735 -4.185 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.377 -4.045 1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.170 -6.531 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.501 -6.224 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.299 -7.761 2.627 1.00 0.00 H new ATOM 1023 N GLN A 72 7.427 -6.182 -1.605 1.00 0.00 N ATOM 1024 CA GLN A 72 7.947 -5.640 -2.849 1.00 0.00 C ATOM 1025 C GLN A 72 6.873 -5.682 -3.937 1.00 0.00 C ATOM 1026 O GLN A 72 6.589 -4.668 -4.574 1.00 0.00 O ATOM 1027 CB GLN A 72 9.205 -6.391 -3.291 1.00 0.00 C ATOM 1028 CG GLN A 72 10.469 -5.662 -2.831 1.00 0.00 C ATOM 1029 CD GLN A 72 11.725 -6.445 -3.220 1.00 0.00 C ATOM 1030 OE1 GLN A 72 12.313 -7.160 -2.425 1.00 0.00 O ATOM 1031 NE2 GLN A 72 12.102 -6.270 -4.483 1.00 0.00 N ATOM 0 H GLN A 72 7.889 -7.033 -1.284 1.00 0.00 H new ATOM 0 HA GLN A 72 8.225 -4.600 -2.681 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.193 -7.401 -2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.212 -6.489 -4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.503 -4.668 -3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.441 -5.525 -1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.564 -5.657 -5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.929 -6.749 -4.839 1.00 0.00 H new ATOM 1040 N SER A 73 6.304 -6.865 -4.118 1.00 0.00 N ATOM 1041 CA SER A 73 5.267 -7.052 -5.118 1.00 0.00 C ATOM 1042 C SER A 73 4.248 -5.914 -5.035 1.00 0.00 C ATOM 1043 O SER A 73 4.004 -5.222 -6.022 1.00 0.00 O ATOM 1044 CB SER A 73 4.570 -8.403 -4.942 1.00 0.00 C ATOM 1045 OG SER A 73 4.860 -9.297 -6.012 1.00 0.00 O ATOM 0 H SER A 73 6.542 -7.704 -3.589 1.00 0.00 H new ATOM 0 HA SER A 73 5.735 -7.040 -6.102 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.883 -8.852 -3.999 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.493 -8.250 -4.880 1.00 0.00 H new ATOM 0 HG SER A 73 4.398 -10.148 -5.862 1.00 0.00 H new ATOM 1051 N ALA A 74 3.681 -5.755 -3.848 1.00 0.00 N ATOM 1052 CA ALA A 74 2.695 -4.712 -3.624 1.00 0.00 C ATOM 1053 C ALA A 74 3.287 -3.361 -4.026 1.00 0.00 C ATOM 1054 O ALA A 74 2.672 -2.609 -4.782 1.00 0.00 O ATOM 1055 CB ALA A 74 2.246 -4.740 -2.161 1.00 0.00 C ATOM 0 H ALA A 74 3.886 -6.331 -3.032 1.00 0.00 H new ATOM 0 HA ALA A 74 1.812 -4.881 -4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.506 -3.958 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.805 -5.711 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.106 -4.572 -1.513 1.00 0.00 H new ATOM 1061 N LYS A 75 4.475 -3.092 -3.504 1.00 0.00 N ATOM 1062 CA LYS A 75 5.157 -1.843 -3.800 1.00 0.00 C ATOM 1063 C LYS A 75 5.110 -1.586 -5.308 1.00 0.00 C ATOM 1064 O LYS A 75 4.677 -0.521 -5.746 1.00 0.00 O ATOM 1065 CB LYS A 75 6.574 -1.857 -3.222 1.00 0.00 C ATOM 1066 CG LYS A 75 6.572 -1.419 -1.757 1.00 0.00 C ATOM 1067 CD LYS A 75 7.752 -2.032 -1.000 1.00 0.00 C ATOM 1068 CE LYS A 75 9.075 -1.727 -1.706 1.00 0.00 C ATOM 1069 NZ LYS A 75 9.987 -0.992 -0.802 1.00 0.00 N ATOM 0 H LYS A 75 4.983 -3.717 -2.878 1.00 0.00 H new ATOM 0 HA LYS A 75 4.649 -1.008 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.995 -2.859 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.214 -1.193 -3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.623 -0.332 -1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.637 -1.720 -1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.780 -1.640 0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.618 -3.111 -0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.544 -2.656 -2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.888 -1.136 -2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.880 -0.793 -1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.543 -0.096 -0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.180 -1.569 0.041 1.00 0.00 H new ATOM 1083 N ARG A 76 5.561 -2.580 -6.059 1.00 0.00 N ATOM 1084 CA ARG A 76 5.576 -2.474 -7.509 1.00 0.00 C ATOM 1085 C ARG A 76 4.214 -2.001 -8.020 1.00 0.00 C ATOM 1086 O ARG A 76 4.138 -1.095 -8.849 1.00 0.00 O ATOM 1087 CB ARG A 76 5.917 -3.818 -8.155 1.00 0.00 C ATOM 1088 CG ARG A 76 7.387 -4.178 -7.929 1.00 0.00 C ATOM 1089 CD ARG A 76 8.179 -4.097 -9.235 1.00 0.00 C ATOM 1090 NE ARG A 76 7.885 -5.277 -10.079 1.00 0.00 N ATOM 1091 CZ ARG A 76 8.381 -6.501 -9.857 1.00 0.00 C ATOM 1092 NH1 ARG A 76 9.198 -6.715 -8.817 1.00 0.00 N ATOM 1093 NH2 ARG A 76 8.060 -7.513 -10.676 1.00 0.00 N ATOM 0 H ARG A 76 5.918 -3.462 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 76 6.342 -1.748 -7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.280 -4.598 -7.738 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.710 -3.775 -9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.822 -3.501 -7.193 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.459 -5.185 -7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.921 -3.183 -9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.247 -4.050 -9.020 1.00 0.00 H new ATOM 0 HE ARG A 76 7.266 -5.150 -10.880 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.443 -5.945 -8.194 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.575 -7.647 -8.648 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.438 -7.351 -11.468 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.438 -8.445 -10.507 1.00 0.00 H new ATOM 1107 N LEU A 77 3.171 -2.636 -7.505 1.00 0.00 N ATOM 1108 CA LEU A 77 1.815 -2.291 -7.900 1.00 0.00 C ATOM 1109 C LEU A 77 1.525 -0.843 -7.500 1.00 0.00 C ATOM 1110 O LEU A 77 1.009 -0.065 -8.301 1.00 0.00 O ATOM 1111 CB LEU A 77 0.818 -3.299 -7.326 1.00 0.00 C ATOM 1112 CG LEU A 77 0.792 -4.674 -7.997 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.262 -5.742 -7.039 1.00 0.00 C ATOM 1114 CD2 LEU A 77 -0.001 -4.631 -9.304 1.00 0.00 C ATOM 0 H LEU A 77 3.237 -3.387 -6.818 1.00 0.00 H new ATOM 0 HA LEU A 77 1.706 -2.351 -8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.040 -3.437 -6.268 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.181 -2.868 -7.388 1.00 0.00 H new ATOM 0 HG LEU A 77 1.816 -4.950 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.254 -6.709 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.905 -5.794 -6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.752 -5.484 -6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.004 -5.621 -9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.026 -4.324 -9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.461 -3.918 -9.987 1.00 0.00 H new ATOM 1126 N LEU A 78 1.870 -0.524 -6.261 1.00 0.00 N ATOM 1127 CA LEU A 78 1.653 0.817 -5.745 1.00 0.00 C ATOM 1128 C LEU A 78 2.364 1.827 -6.648 1.00 0.00 C ATOM 1129 O LEU A 78 1.715 2.616 -7.334 1.00 0.00 O ATOM 1130 CB LEU A 78 2.075 0.901 -4.277 1.00 0.00 C ATOM 1131 CG LEU A 78 1.252 0.066 -3.294 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.822 0.168 -1.878 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.226 0.457 -3.346 1.00 0.00 C ATOM 0 H LEU A 78 2.298 -1.171 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 78 0.592 1.065 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.118 0.592 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.028 1.944 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 78 1.319 -0.980 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.219 -0.435 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.849 -0.197 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.805 1.208 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.788 -0.151 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.333 1.510 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.611 0.292 -4.352 1.00 0.00 H new ATOM 1145 N ASP A 79 3.687 1.770 -6.619 1.00 0.00 N ATOM 1146 CA ASP A 79 4.492 2.671 -7.427 1.00 0.00 C ATOM 1147 C ASP A 79 3.853 2.820 -8.809 1.00 0.00 C ATOM 1148 O ASP A 79 3.710 3.932 -9.314 1.00 0.00 O ATOM 1149 CB ASP A 79 5.908 2.122 -7.618 1.00 0.00 C ATOM 1150 CG ASP A 79 7.010 3.181 -7.671 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.656 4.358 -7.898 1.00 0.00 O ATOM 1152 OD2 ASP A 79 8.183 2.790 -7.484 1.00 0.00 O ATOM 0 H ASP A 79 4.222 1.114 -6.049 1.00 0.00 H new ATOM 0 HA ASP A 79 4.543 3.631 -6.913 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.127 1.432 -6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.936 1.544 -8.542 1.00 0.00 H new ATOM 1157 N GLN A 80 3.485 1.683 -9.381 1.00 0.00 N ATOM 1158 CA GLN A 80 2.864 1.673 -10.695 1.00 0.00 C ATOM 1159 C GLN A 80 1.805 2.773 -10.789 1.00 0.00 C ATOM 1160 O GLN A 80 1.886 3.646 -11.652 1.00 0.00 O ATOM 1161 CB GLN A 80 2.260 0.302 -11.006 1.00 0.00 C ATOM 1162 CG GLN A 80 2.796 -0.245 -12.330 1.00 0.00 C ATOM 1163 CD GLN A 80 2.311 0.602 -13.509 1.00 0.00 C ATOM 1164 OE1 GLN A 80 2.627 1.773 -13.636 1.00 0.00 O ATOM 1165 NE2 GLN A 80 1.529 -0.055 -14.361 1.00 0.00 N ATOM 0 H GLN A 80 3.605 0.762 -8.959 1.00 0.00 H new ATOM 0 HA GLN A 80 3.634 1.871 -11.441 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.493 -0.394 -10.200 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.174 0.381 -11.054 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.886 -0.255 -12.309 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.470 -1.277 -12.460 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.304 -1.036 -14.194 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.154 0.422 -15.181 1.00 0.00 H new ATOM 1174 N ILE A 81 0.835 2.695 -9.890 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.240 3.672 -9.861 1.00 0.00 C ATOM 1176 C ILE A 81 0.340 5.068 -10.104 1.00 0.00 C ATOM 1177 O ILE A 81 0.004 5.720 -11.091 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.037 3.555 -8.560 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -1.876 2.276 -8.545 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -1.889 4.803 -8.325 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.439 2.006 -7.148 1.00 0.00 C ATOM 0 H ILE A 81 0.771 1.970 -9.176 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.953 3.478 -10.662 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.332 3.487 -7.732 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.694 2.365 -9.260 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.265 1.432 -8.864 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.445 4.694 -7.394 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.242 5.678 -8.261 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.588 4.928 -9.152 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.031 1.091 -7.165 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.618 1.893 -6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.069 2.841 -6.842 1.00 0.00 H new ATOM 1193 N VAL A 82 1.200 5.484 -9.186 1.00 0.00 N ATOM 1194 CA VAL A 82 1.829 6.790 -9.287 1.00 0.00 C ATOM 1195 C VAL A 82 2.343 6.994 -10.714 1.00 0.00 C ATOM 1196 O VAL A 82 1.943 7.938 -11.393 1.00 0.00 O ATOM 1197 CB VAL A 82 2.927 6.925 -8.231 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.604 8.295 -8.315 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.373 6.673 -6.828 1.00 0.00 C ATOM 0 H VAL A 82 1.476 4.940 -8.369 1.00 0.00 H new ATOM 0 HA VAL A 82 1.105 7.580 -9.086 1.00 0.00 H new ATOM 0 HB VAL A 82 3.682 6.165 -8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.381 8.364 -7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.051 8.420 -9.301 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.863 9.078 -8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.175 6.775 -6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.589 7.398 -6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.960 5.666 -6.775 1.00 0.00 H new