USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 590 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 ASN : amide:sc= -0.232 K(o=-0.88,f=-5!) USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 74 GLN : amide:sc= -0.648 K(o=-0.88,f=-3.1!) USER MOD Single : A 19 MET CE :methyl 168:sc= -1.05 (180deg=-1.57) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.265) USER MOD Single : A 36 GLN : amide:sc= -0.0784 X(o=-0.078,f=-0.33) USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= -4.34! (180deg=-4.49!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.0124 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0811 USER MOD Single : A 47 THR OG1 : rot 165:sc= 0.537 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.17) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.26) USER MOD Single : A 75 TYR OH : rot 30:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -136:sc= -1.43 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 165:sc= -0.423 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 228 N MET A 19 13.954 -6.220 4.540 1.00 0.00 N ATOM 229 CA MET A 19 13.882 -5.292 3.416 1.00 0.00 C ATOM 230 C MET A 19 13.688 -3.860 3.902 1.00 0.00 C ATOM 231 O MET A 19 14.372 -2.942 3.450 1.00 0.00 O ATOM 232 CB MET A 19 12.740 -5.684 2.476 1.00 0.00 C ATOM 233 CG MET A 19 13.009 -6.959 1.692 1.00 0.00 C ATOM 234 SD MET A 19 11.976 -7.099 0.221 1.00 0.00 S ATOM 235 CE MET A 19 10.464 -7.749 0.929 1.00 0.00 C ATOM 0 HA MET A 19 14.825 -5.346 2.873 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.828 -5.811 3.059 1.00 0.00 H new ATOM 0 HB3 MET A 19 12.560 -4.868 1.776 1.00 0.00 H new ATOM 0 HG2 MET A 19 14.058 -6.986 1.398 1.00 0.00 H new ATOM 0 HG3 MET A 19 12.836 -7.821 2.336 1.00 0.00 H new ATOM 0 HE1 MET A 19 9.663 -7.691 0.192 1.00 0.00 H new ATOM 0 HE2 MET A 19 10.616 -8.789 1.219 1.00 0.00 H new ATOM 0 HE3 MET A 19 10.192 -7.163 1.807 1.00 0.00 H new ATOM 245 N LEU A 20 12.751 -3.677 4.828 1.00 0.00 N ATOM 246 CA LEU A 20 12.467 -2.356 5.377 1.00 0.00 C ATOM 247 C LEU A 20 13.650 -1.839 6.189 1.00 0.00 C ATOM 248 O LEU A 20 13.889 -0.633 6.257 1.00 0.00 O ATOM 249 CB LEU A 20 11.214 -2.405 6.255 1.00 0.00 C ATOM 250 CG LEU A 20 9.954 -2.919 5.557 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.873 -3.242 6.577 1.00 0.00 C ATOM 252 CD2 LEU A 20 9.451 -1.898 4.547 1.00 0.00 C ATOM 0 H LEU A 20 12.176 -4.426 5.213 1.00 0.00 H new ATOM 0 HA LEU A 20 12.294 -1.673 4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.418 -3.040 7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.017 -1.403 6.636 1.00 0.00 H new ATOM 0 HG LEU A 20 10.205 -3.835 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.984 -3.606 6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.236 -4.009 7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.623 -2.343 7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.554 -2.280 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.216 -0.965 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.222 -1.717 3.798 1.00 0.00 H new ATOM 264 N THR A 21 14.388 -2.758 6.803 1.00 0.00 N ATOM 265 CA THR A 21 15.547 -2.394 7.609 1.00 0.00 C ATOM 266 C THR A 21 16.731 -2.021 6.723 1.00 0.00 C ATOM 267 O THR A 21 17.410 -1.023 6.964 1.00 0.00 O ATOM 268 CB THR A 21 15.933 -3.548 8.535 1.00 0.00 C ATOM 269 OG1 THR A 21 14.785 -4.096 9.160 1.00 0.00 O ATOM 270 CG2 THR A 21 16.899 -3.139 9.627 1.00 0.00 C ATOM 0 H THR A 21 14.204 -3.760 6.758 1.00 0.00 H new ATOM 0 HA THR A 21 15.280 -1.526 8.212 1.00 0.00 H new ATOM 0 HB THR A 21 16.421 -4.282 7.895 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.053 -4.834 9.747 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.132 -4.003 10.249 1.00 0.00 H new ATOM 0 HG22 THR A 21 17.816 -2.757 9.178 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.445 -2.362 10.242 1.00 0.00 H new ATOM 278 N SER A 22 16.972 -2.830 5.696 1.00 0.00 N ATOM 279 CA SER A 22 18.075 -2.585 4.774 1.00 0.00 C ATOM 280 C SER A 22 17.898 -1.251 4.057 1.00 0.00 C ATOM 281 O SER A 22 18.875 -0.583 3.717 1.00 0.00 O ATOM 282 CB SER A 22 18.172 -3.719 3.752 1.00 0.00 C ATOM 283 OG SER A 22 19.524 -4.062 3.498 1.00 0.00 O ATOM 0 H SER A 22 16.419 -3.660 5.482 1.00 0.00 H new ATOM 0 HA SER A 22 18.998 -2.546 5.352 1.00 0.00 H new ATOM 0 HB2 SER A 22 17.635 -4.593 4.121 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.689 -3.417 2.822 1.00 0.00 H new ATOM 0 HG SER A 22 19.559 -4.790 2.843 1.00 0.00 H new ATOM 289 N LEU A 23 16.646 -0.868 3.831 1.00 0.00 N ATOM 290 CA LEU A 23 16.342 0.388 3.154 1.00 0.00 C ATOM 291 C LEU A 23 16.082 1.502 4.165 1.00 0.00 C ATOM 292 O LEU A 23 16.365 2.670 3.900 1.00 0.00 O ATOM 293 CB LEU A 23 15.125 0.218 2.242 1.00 0.00 C ATOM 294 CG LEU A 23 15.302 -0.791 1.107 1.00 0.00 C ATOM 295 CD1 LEU A 23 13.959 -1.369 0.691 1.00 0.00 C ATOM 296 CD2 LEU A 23 15.996 -0.139 -0.081 1.00 0.00 C ATOM 0 H LEU A 23 15.826 -1.408 4.106 1.00 0.00 H new ATOM 0 HA LEU A 23 17.206 0.664 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.274 -0.088 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.876 1.187 1.810 1.00 0.00 H new ATOM 0 HG LEU A 23 15.929 -1.607 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.106 -2.085 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.500 -1.872 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.307 -0.565 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 23 16.114 -0.871 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 23 15.395 0.696 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.977 0.225 0.225 1.00 0.00 H new ATOM 308 N GLY A 24 15.545 1.131 5.321 1.00 0.00 N ATOM 309 CA GLY A 24 15.258 2.109 6.354 1.00 0.00 C ATOM 310 C GLY A 24 13.838 2.633 6.278 1.00 0.00 C ATOM 311 O GLY A 24 13.594 3.820 6.496 1.00 0.00 O ATOM 0 H GLY A 24 15.303 0.170 5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.424 1.658 7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.955 2.942 6.265 1.00 0.00 H new ATOM 315 N LEU A 25 12.898 1.747 5.966 1.00 0.00 N ATOM 316 CA LEU A 25 11.494 2.125 5.861 1.00 0.00 C ATOM 317 C LEU A 25 10.724 1.722 7.114 1.00 0.00 C ATOM 318 O LEU A 25 11.195 0.906 7.908 1.00 0.00 O ATOM 319 CB LEU A 25 10.860 1.478 4.629 1.00 0.00 C ATOM 320 CG LEU A 25 11.449 1.923 3.290 1.00 0.00 C ATOM 321 CD1 LEU A 25 11.207 0.868 2.222 1.00 0.00 C ATOM 322 CD2 LEU A 25 10.855 3.259 2.866 1.00 0.00 C ATOM 0 H LEU A 25 13.084 0.761 5.781 1.00 0.00 H new ATOM 0 HA LEU A 25 11.444 3.209 5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.962 0.396 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.792 1.698 4.630 1.00 0.00 H new ATOM 0 HG LEU A 25 12.525 2.047 3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.633 1.203 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.679 -0.068 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.135 0.712 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.285 3.562 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.774 3.160 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.080 4.013 3.620 1.00 0.00 H new ATOM 334 N LYS A 26 9.540 2.297 7.286 1.00 0.00 N ATOM 335 CA LYS A 26 8.704 1.998 8.443 1.00 0.00 C ATOM 336 C LYS A 26 7.304 2.576 8.266 1.00 0.00 C ATOM 337 O LYS A 26 7.091 3.472 7.450 1.00 0.00 O ATOM 338 CB LYS A 26 9.342 2.557 9.717 1.00 0.00 C ATOM 339 CG LYS A 26 9.458 4.073 9.725 1.00 0.00 C ATOM 340 CD LYS A 26 8.551 4.700 10.773 1.00 0.00 C ATOM 341 CE LYS A 26 9.345 5.215 11.963 1.00 0.00 C ATOM 342 NZ LYS A 26 10.226 4.163 12.541 1.00 0.00 N ATOM 0 H LYS A 26 9.136 2.974 6.638 1.00 0.00 H new ATOM 0 HA LYS A 26 8.622 0.915 8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.752 2.242 10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.335 2.124 9.836 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.492 4.358 9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.201 4.463 8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.990 5.521 10.326 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.822 3.964 11.112 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.951 6.066 11.654 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.658 5.574 12.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.456 4.405 13.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.735 3.246 12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.103 4.102 11.986 1.00 0.00 H new ATOM 356 N LEU A 27 6.353 2.057 9.037 1.00 0.00 N ATOM 357 CA LEU A 27 4.973 2.522 8.965 1.00 0.00 C ATOM 358 C LEU A 27 4.880 4.007 9.301 1.00 0.00 C ATOM 359 O LEU A 27 4.840 4.387 10.472 1.00 0.00 O ATOM 360 CB LEU A 27 4.091 1.715 9.919 1.00 0.00 C ATOM 361 CG LEU A 27 4.105 0.203 9.689 1.00 0.00 C ATOM 362 CD1 LEU A 27 3.617 -0.530 10.929 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.252 -0.160 8.483 1.00 0.00 C ATOM 0 H LEU A 27 6.513 1.315 9.718 1.00 0.00 H new ATOM 0 HA LEU A 27 4.620 2.377 7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.410 1.915 10.942 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.065 2.071 9.830 1.00 0.00 H new ATOM 0 HG LEU A 27 5.131 -0.106 9.490 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.634 -1.605 10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.268 -0.295 11.771 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.599 -0.217 11.159 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.273 -1.240 8.334 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.225 0.163 8.653 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.646 0.337 7.596 1.00 0.00 H new ATOM 375 N GLY A 28 4.846 4.842 8.267 1.00 0.00 N ATOM 376 CA GLY A 28 4.758 6.276 8.475 1.00 0.00 C ATOM 377 C GLY A 28 5.681 7.053 7.557 1.00 0.00 C ATOM 378 O GLY A 28 5.402 8.201 7.212 1.00 0.00 O ATOM 0 H GLY A 28 4.878 4.552 7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.730 6.601 8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.004 6.505 9.512 1.00 0.00 H new ATOM 382 N ASP A 29 6.785 6.426 7.161 1.00 0.00 N ATOM 383 CA ASP A 29 7.752 7.066 6.277 1.00 0.00 C ATOM 384 C ASP A 29 7.175 7.245 4.876 1.00 0.00 C ATOM 385 O ASP A 29 6.057 6.814 4.596 1.00 0.00 O ATOM 386 CB ASP A 29 9.038 6.241 6.211 1.00 0.00 C ATOM 387 CG ASP A 29 10.074 6.705 7.215 1.00 0.00 C ATOM 388 OD1 ASP A 29 9.813 6.595 8.432 1.00 0.00 O ATOM 389 OD2 ASP A 29 11.148 7.177 6.786 1.00 0.00 O ATOM 0 H ASP A 29 7.031 5.476 7.439 1.00 0.00 H new ATOM 0 HA ASP A 29 7.981 8.051 6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.803 5.192 6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.456 6.304 5.206 1.00 0.00 H new ATOM 394 N ARG A 30 7.947 7.881 4.002 1.00 0.00 N ATOM 395 CA ARG A 30 7.512 8.117 2.629 1.00 0.00 C ATOM 396 C ARG A 30 8.112 7.082 1.684 1.00 0.00 C ATOM 397 O ARG A 30 9.311 6.806 1.730 1.00 0.00 O ATOM 398 CB ARG A 30 7.910 9.525 2.182 1.00 0.00 C ATOM 399 CG ARG A 30 6.862 10.582 2.492 1.00 0.00 C ATOM 400 CD ARG A 30 6.110 11.009 1.242 1.00 0.00 C ATOM 401 NE ARG A 30 5.645 12.392 1.329 1.00 0.00 N ATOM 402 CZ ARG A 30 4.564 12.768 2.009 1.00 0.00 C ATOM 403 NH1 ARG A 30 3.835 11.871 2.660 1.00 0.00 N ATOM 404 NH2 ARG A 30 4.212 14.046 2.037 1.00 0.00 N ATOM 0 H ARG A 30 8.876 8.242 4.219 1.00 0.00 H new ATOM 0 HA ARG A 30 6.426 8.026 2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.846 9.800 2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.099 9.516 1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.157 10.192 3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.343 11.450 2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.759 10.899 0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.257 10.348 1.089 1.00 0.00 H new ATOM 0 HE ARG A 30 6.180 13.110 0.841 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.102 10.887 2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.008 12.166 3.179 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.769 14.739 1.538 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.384 14.336 2.558 1.00 0.00 H new ATOM 418 N VAL A 31 7.271 6.512 0.827 1.00 0.00 N ATOM 419 CA VAL A 31 7.718 5.507 -0.130 1.00 0.00 C ATOM 420 C VAL A 31 7.433 5.947 -1.562 1.00 0.00 C ATOM 421 O VAL A 31 6.770 6.959 -1.791 1.00 0.00 O ATOM 422 CB VAL A 31 7.039 4.148 0.122 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.676 3.444 1.310 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.544 4.327 0.337 1.00 0.00 C ATOM 0 H VAL A 31 6.276 6.729 0.776 1.00 0.00 H new ATOM 0 HA VAL A 31 8.794 5.397 0.007 1.00 0.00 H new ATOM 0 HB VAL A 31 7.182 3.524 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.183 2.486 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.735 3.278 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.568 4.063 2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.083 3.355 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.375 4.971 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.101 4.783 -0.548 1.00 0.00 H new ATOM 434 N VAL A 32 7.939 5.181 -2.523 1.00 0.00 N ATOM 435 CA VAL A 32 7.738 5.491 -3.934 1.00 0.00 C ATOM 436 C VAL A 32 7.546 4.219 -4.755 1.00 0.00 C ATOM 437 O VAL A 32 8.423 3.356 -4.793 1.00 0.00 O ATOM 438 CB VAL A 32 8.925 6.290 -4.506 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.211 5.482 -4.416 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.648 6.707 -5.944 1.00 0.00 C ATOM 0 H VAL A 32 8.491 4.341 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 32 6.836 6.099 -4.001 1.00 0.00 H new ATOM 0 HB VAL A 32 9.049 7.193 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.036 6.065 -4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.418 5.243 -3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.101 4.559 -4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.498 7.270 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.493 5.819 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.755 7.331 -5.976 1.00 0.00 H new ATOM 450 N ILE A 33 6.394 4.110 -5.407 1.00 0.00 N ATOM 451 CA ILE A 33 6.087 2.945 -6.227 1.00 0.00 C ATOM 452 C ILE A 33 6.825 3.000 -7.560 1.00 0.00 C ATOM 453 O ILE A 33 6.596 3.897 -8.371 1.00 0.00 O ATOM 454 CB ILE A 33 4.575 2.828 -6.496 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.790 2.963 -5.189 1.00 0.00 C ATOM 456 CG2 ILE A 33 4.258 1.506 -7.177 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.321 3.260 -5.394 1.00 0.00 C ATOM 0 H ILE A 33 5.657 4.815 -5.383 1.00 0.00 H new ATOM 0 HA ILE A 33 6.418 2.070 -5.667 1.00 0.00 H new ATOM 0 HB ILE A 33 4.276 3.637 -7.162 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.889 2.040 -4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.233 3.758 -4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.186 1.439 -7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.792 1.448 -8.125 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.569 0.682 -6.534 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.828 3.342 -4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.212 4.198 -5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.863 2.454 -5.967 1.00 0.00 H new ATOM 469 N ALA A 34 7.712 2.034 -7.779 1.00 0.00 N ATOM 470 CA ALA A 34 8.484 1.971 -9.014 1.00 0.00 C ATOM 471 C ALA A 34 9.317 3.235 -9.208 1.00 0.00 C ATOM 472 O ALA A 34 9.628 3.617 -10.336 1.00 0.00 O ATOM 473 CB ALA A 34 7.559 1.759 -10.203 1.00 0.00 C ATOM 0 H ALA A 34 7.913 1.285 -7.117 1.00 0.00 H new ATOM 0 HA ALA A 34 9.168 1.125 -8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.148 1.714 -11.119 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.012 0.824 -10.077 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.853 2.587 -10.267 1.00 0.00 H new ATOM 479 N GLY A 35 9.678 3.878 -8.102 1.00 0.00 N ATOM 480 CA GLY A 35 10.473 5.090 -8.174 1.00 0.00 C ATOM 481 C GLY A 35 9.821 6.166 -9.021 1.00 0.00 C ATOM 482 O GLY A 35 10.506 6.958 -9.666 1.00 0.00 O ATOM 0 H GLY A 35 9.434 3.581 -7.157 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.635 5.474 -7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.454 4.853 -8.586 1.00 0.00 H new ATOM 486 N GLN A 36 8.491 6.194 -9.019 1.00 0.00 N ATOM 487 CA GLN A 36 7.747 7.179 -9.793 1.00 0.00 C ATOM 488 C GLN A 36 6.624 7.790 -8.961 1.00 0.00 C ATOM 489 O GLN A 36 6.634 8.986 -8.670 1.00 0.00 O ATOM 490 CB GLN A 36 7.171 6.536 -11.057 1.00 0.00 C ATOM 491 CG GLN A 36 8.084 6.648 -12.267 1.00 0.00 C ATOM 492 CD GLN A 36 7.315 6.737 -13.570 1.00 0.00 C ATOM 493 OE1 GLN A 36 6.354 7.498 -13.688 1.00 0.00 O ATOM 494 NE2 GLN A 36 7.737 5.958 -14.560 1.00 0.00 N ATOM 0 H GLN A 36 7.908 5.546 -8.490 1.00 0.00 H new ATOM 0 HA GLN A 36 8.435 7.974 -10.080 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.971 5.483 -10.860 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.215 7.004 -11.289 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.715 7.530 -12.161 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.747 5.783 -12.299 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.538 5.342 -14.419 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.260 5.976 -15.462 1.00 0.00 H new ATOM 503 N LYS A 37 5.658 6.960 -8.582 1.00 0.00 N ATOM 504 CA LYS A 37 4.528 7.419 -7.782 1.00 0.00 C ATOM 505 C LYS A 37 4.921 7.562 -6.315 1.00 0.00 C ATOM 506 O LYS A 37 5.304 6.587 -5.667 1.00 0.00 O ATOM 507 CB LYS A 37 3.354 6.447 -7.916 1.00 0.00 C ATOM 508 CG LYS A 37 2.653 6.523 -9.262 1.00 0.00 C ATOM 509 CD LYS A 37 1.432 5.618 -9.306 1.00 0.00 C ATOM 510 CE LYS A 37 0.284 6.192 -8.491 1.00 0.00 C ATOM 511 NZ LYS A 37 -0.727 5.154 -8.148 1.00 0.00 N ATOM 0 H LYS A 37 5.635 5.967 -8.815 1.00 0.00 H new ATOM 0 HA LYS A 37 4.225 8.398 -8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.715 5.430 -7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.631 6.653 -7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.352 7.552 -9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.348 6.237 -10.052 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.114 5.484 -10.340 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.695 4.632 -8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.675 6.635 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.195 6.994 -9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.583 5.613 -7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.969 4.610 -9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.336 4.513 -7.428 1.00 0.00 H new ATOM 525 N VAL A 38 4.823 8.782 -5.797 1.00 0.00 N ATOM 526 CA VAL A 38 5.166 9.051 -4.406 1.00 0.00 C ATOM 527 C VAL A 38 3.948 8.909 -3.501 1.00 0.00 C ATOM 528 O VAL A 38 2.828 9.235 -3.895 1.00 0.00 O ATOM 529 CB VAL A 38 5.754 10.464 -4.237 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.290 10.656 -2.825 1.00 0.00 C ATOM 531 CG2 VAL A 38 6.845 10.717 -5.267 1.00 0.00 C ATOM 0 H VAL A 38 4.509 9.600 -6.320 1.00 0.00 H new ATOM 0 HA VAL A 38 5.917 8.315 -4.118 1.00 0.00 H new ATOM 0 HB VAL A 38 4.957 11.189 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.701 11.661 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.481 10.522 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.072 9.923 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.248 11.721 -5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.643 9.985 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.427 10.627 -6.270 1.00 0.00 H new ATOM 541 N GLY A 39 4.174 8.418 -2.286 1.00 0.00 N ATOM 542 CA GLY A 39 3.083 8.241 -1.344 1.00 0.00 C ATOM 543 C GLY A 39 3.570 7.863 0.040 1.00 0.00 C ATOM 544 O GLY A 39 4.703 7.410 0.206 1.00 0.00 O ATOM 0 H GLY A 39 5.091 8.140 -1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.506 9.164 -1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.410 7.467 -1.713 1.00 0.00 H new ATOM 548 N THR A 40 2.711 8.048 1.039 1.00 0.00 N ATOM 549 CA THR A 40 3.059 7.723 2.417 1.00 0.00 C ATOM 550 C THR A 40 2.710 6.274 2.739 1.00 0.00 C ATOM 551 O THR A 40 1.548 5.876 2.674 1.00 0.00 O ATOM 552 CB THR A 40 2.333 8.661 3.383 1.00 0.00 C ATOM 553 OG1 THR A 40 2.027 9.892 2.752 1.00 0.00 O ATOM 554 CG2 THR A 40 3.133 8.972 4.629 1.00 0.00 C ATOM 0 H THR A 40 1.769 8.421 0.919 1.00 0.00 H new ATOM 0 HA THR A 40 4.135 7.853 2.534 1.00 0.00 H new ATOM 0 HB THR A 40 1.427 8.130 3.675 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.562 10.477 3.385 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.561 9.642 5.271 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.344 8.047 5.166 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.071 9.451 4.349 1.00 0.00 H new ATOM 562 N LEU A 41 3.725 5.490 3.088 1.00 0.00 N ATOM 563 CA LEU A 41 3.527 4.084 3.421 1.00 0.00 C ATOM 564 C LEU A 41 2.610 3.935 4.631 1.00 0.00 C ATOM 565 O LEU A 41 2.835 4.551 5.673 1.00 0.00 O ATOM 566 CB LEU A 41 4.871 3.409 3.701 1.00 0.00 C ATOM 567 CG LEU A 41 4.799 1.902 3.951 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.450 1.164 2.668 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.117 1.394 4.518 1.00 0.00 C ATOM 0 H LEU A 41 4.693 5.805 3.148 1.00 0.00 H new ATOM 0 HA LEU A 41 3.055 3.598 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.534 3.590 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.325 3.885 4.570 1.00 0.00 H new ATOM 0 HG LEU A 41 4.013 1.711 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.403 0.093 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.483 1.508 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.214 1.361 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.049 0.320 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.920 1.598 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.327 1.900 5.460 1.00 0.00 H new ATOM 581 N ARG A 42 1.575 3.114 4.485 1.00 0.00 N ATOM 582 CA ARG A 42 0.623 2.883 5.566 1.00 0.00 C ATOM 583 C ARG A 42 0.592 1.410 5.957 1.00 0.00 C ATOM 584 O ARG A 42 0.549 1.072 7.141 1.00 0.00 O ATOM 585 CB ARG A 42 -0.775 3.342 5.147 1.00 0.00 C ATOM 586 CG ARG A 42 -0.905 4.851 5.012 1.00 0.00 C ATOM 587 CD ARG A 42 -0.832 5.538 6.365 1.00 0.00 C ATOM 588 NE ARG A 42 -1.732 6.687 6.446 1.00 0.00 N ATOM 589 CZ ARG A 42 -1.458 7.881 5.926 1.00 0.00 C ATOM 590 NH1 ARG A 42 -0.314 8.088 5.288 1.00 0.00 N ATOM 591 NH2 ARG A 42 -2.333 8.871 6.045 1.00 0.00 N ATOM 0 H ARG A 42 1.374 2.597 3.629 1.00 0.00 H new ATOM 0 HA ARG A 42 0.944 3.463 6.431 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.031 2.877 4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.500 2.987 5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.112 5.230 4.367 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.852 5.094 4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.085 4.824 7.148 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.191 5.865 6.551 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.622 6.567 6.929 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.362 7.330 5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.110 9.005 4.892 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.214 8.717 6.535 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.124 9.787 5.647 1.00 0.00 H new ATOM 605 N PHE A 43 0.615 0.536 4.957 1.00 0.00 N ATOM 606 CA PHE A 43 0.590 -0.902 5.195 1.00 0.00 C ATOM 607 C PHE A 43 1.686 -1.605 4.399 1.00 0.00 C ATOM 608 O PHE A 43 2.174 -1.080 3.399 1.00 0.00 O ATOM 609 CB PHE A 43 -0.777 -1.478 4.821 1.00 0.00 C ATOM 610 CG PHE A 43 -0.901 -2.952 5.085 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.740 -3.455 6.367 1.00 0.00 C ATOM 612 CD2 PHE A 43 -1.179 -3.833 4.053 1.00 0.00 C ATOM 613 CE1 PHE A 43 -0.854 -4.811 6.612 1.00 0.00 C ATOM 614 CE2 PHE A 43 -1.294 -5.189 4.293 1.00 0.00 C ATOM 615 CZ PHE A 43 -1.132 -5.679 5.575 1.00 0.00 C ATOM 0 H PHE A 43 0.651 0.799 3.972 1.00 0.00 H new ATOM 0 HA PHE A 43 0.771 -1.072 6.256 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.550 -0.951 5.381 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.965 -1.290 3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.523 -2.781 7.182 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.307 -3.456 3.049 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.726 -5.191 7.615 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.510 -5.865 3.479 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.223 -6.738 5.765 1.00 0.00 H new ATOM 625 N CYS A 44 2.067 -2.796 4.851 1.00 0.00 N ATOM 626 CA CYS A 44 3.104 -3.571 4.181 1.00 0.00 C ATOM 627 C CYS A 44 2.916 -5.064 4.431 1.00 0.00 C ATOM 628 O CYS A 44 2.385 -5.468 5.465 1.00 0.00 O ATOM 629 CB CYS A 44 4.488 -3.133 4.663 1.00 0.00 C ATOM 630 SG CYS A 44 4.647 -3.038 6.461 1.00 0.00 S ATOM 0 H CYS A 44 1.673 -3.245 5.678 1.00 0.00 H new ATOM 0 HA CYS A 44 3.024 -3.388 3.110 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.232 -3.831 4.280 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.717 -2.156 4.237 1.00 0.00 H new ATOM 0 HG CYS A 44 5.852 -2.662 6.771 1.00 0.00 H new ATOM 636 N GLY A 45 3.355 -5.878 3.477 1.00 0.00 N ATOM 637 CA GLY A 45 3.226 -7.317 3.611 1.00 0.00 C ATOM 638 C GLY A 45 2.352 -7.925 2.531 1.00 0.00 C ATOM 639 O GLY A 45 2.286 -7.411 1.414 1.00 0.00 O ATOM 0 H GLY A 45 3.798 -5.567 2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.216 -7.772 3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.805 -7.551 4.589 1.00 0.00 H new ATOM 643 N THR A 46 1.680 -9.022 2.865 1.00 0.00 N ATOM 644 CA THR A 46 0.805 -9.700 1.916 1.00 0.00 C ATOM 645 C THR A 46 -0.631 -9.207 2.052 1.00 0.00 C ATOM 646 O THR A 46 -1.025 -8.697 3.101 1.00 0.00 O ATOM 647 CB THR A 46 0.862 -11.215 2.130 1.00 0.00 C ATOM 648 OG1 THR A 46 1.305 -11.520 3.441 1.00 0.00 O ATOM 649 CG2 THR A 46 1.782 -11.922 1.158 1.00 0.00 C ATOM 0 H THR A 46 1.725 -9.460 3.785 1.00 0.00 H new ATOM 0 HA THR A 46 1.154 -9.470 0.909 1.00 0.00 H new ATOM 0 HB THR A 46 -0.156 -11.569 1.965 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.333 -12.492 3.559 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.776 -12.992 1.364 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.438 -11.747 0.139 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.795 -11.536 1.270 1.00 0.00 H new ATOM 657 N THR A 47 -1.410 -9.364 0.987 1.00 0.00 N ATOM 658 CA THR A 47 -2.803 -8.934 0.988 1.00 0.00 C ATOM 659 C THR A 47 -3.743 -10.134 1.003 1.00 0.00 C ATOM 660 O THR A 47 -3.307 -11.275 1.151 1.00 0.00 O ATOM 661 CB THR A 47 -3.089 -8.061 -0.235 1.00 0.00 C ATOM 662 OG1 THR A 47 -3.038 -8.830 -1.424 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.118 -6.911 -0.389 1.00 0.00 C ATOM 0 H THR A 47 -1.100 -9.786 0.112 1.00 0.00 H new ATOM 0 HA THR A 47 -2.977 -8.349 1.891 1.00 0.00 H new ATOM 0 HB THR A 47 -4.087 -7.653 -0.072 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.454 -8.328 -2.156 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.377 -6.332 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.170 -6.270 0.491 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.106 -7.301 -0.494 1.00 0.00 H new ATOM 671 N GLU A 48 -5.036 -9.868 0.848 1.00 0.00 N ATOM 672 CA GLU A 48 -6.040 -10.927 0.843 1.00 0.00 C ATOM 673 C GLU A 48 -6.765 -10.985 -0.498 1.00 0.00 C ATOM 674 O GLU A 48 -7.937 -11.355 -0.566 1.00 0.00 O ATOM 675 CB GLU A 48 -7.050 -10.705 1.971 1.00 0.00 C ATOM 676 CG GLU A 48 -6.404 -10.511 3.334 1.00 0.00 C ATOM 677 CD GLU A 48 -6.488 -11.752 4.201 1.00 0.00 C ATOM 678 OE1 GLU A 48 -7.481 -11.890 4.946 1.00 0.00 O ATOM 679 OE2 GLU A 48 -5.560 -12.586 4.134 1.00 0.00 O ATOM 0 H GLU A 48 -5.414 -8.929 0.724 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.530 -11.877 1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.657 -9.830 1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.726 -11.559 2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.358 -10.236 3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.889 -9.680 3.847 1.00 0.00 H new ATOM 686 N PHE A 49 -6.060 -10.618 -1.563 1.00 0.00 N ATOM 687 CA PHE A 49 -6.636 -10.630 -2.902 1.00 0.00 C ATOM 688 C PHE A 49 -5.599 -11.053 -3.939 1.00 0.00 C ATOM 689 O PHE A 49 -5.874 -11.890 -4.799 1.00 0.00 O ATOM 690 CB PHE A 49 -7.193 -9.249 -3.254 1.00 0.00 C ATOM 691 CG PHE A 49 -6.151 -8.167 -3.280 1.00 0.00 C ATOM 692 CD1 PHE A 49 -5.452 -7.888 -4.442 1.00 0.00 C ATOM 693 CD2 PHE A 49 -5.872 -7.429 -2.141 1.00 0.00 C ATOM 694 CE1 PHE A 49 -4.493 -6.893 -4.469 1.00 0.00 C ATOM 695 CE2 PHE A 49 -4.915 -6.432 -2.161 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.225 -6.165 -3.327 1.00 0.00 C ATOM 0 H PHE A 49 -5.089 -10.309 -1.524 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.449 -11.355 -2.912 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.676 -9.300 -4.230 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.963 -8.982 -2.530 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.658 -8.455 -5.338 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.409 -7.635 -1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.954 -6.685 -5.382 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.707 -5.863 -1.267 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.476 -5.387 -3.346 1.00 0.00 H new ATOM 706 N ALA A 50 -4.408 -10.469 -3.851 1.00 0.00 N ATOM 707 CA ALA A 50 -3.332 -10.786 -4.781 1.00 0.00 C ATOM 708 C ALA A 50 -2.197 -11.523 -4.077 1.00 0.00 C ATOM 709 O ALA A 50 -2.067 -11.458 -2.854 1.00 0.00 O ATOM 710 CB ALA A 50 -2.812 -9.515 -5.436 1.00 0.00 C ATOM 0 H ALA A 50 -4.165 -9.774 -3.145 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.733 -11.443 -5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.008 -9.765 -6.129 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.622 -9.029 -5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.433 -8.839 -4.669 1.00 0.00 H new ATOM 716 N SER A 51 -1.379 -12.223 -4.856 1.00 0.00 N ATOM 717 CA SER A 51 -0.255 -12.972 -4.306 1.00 0.00 C ATOM 718 C SER A 51 1.031 -12.157 -4.384 1.00 0.00 C ATOM 719 O SER A 51 1.139 -11.223 -5.178 1.00 0.00 O ATOM 720 CB SER A 51 -0.082 -14.294 -5.056 1.00 0.00 C ATOM 721 OG SER A 51 0.715 -15.202 -4.313 1.00 0.00 O ATOM 0 H SER A 51 -1.473 -12.287 -5.870 1.00 0.00 H new ATOM 0 HA SER A 51 -0.467 -13.182 -3.258 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.059 -14.737 -5.249 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.381 -14.108 -6.025 1.00 0.00 H new ATOM 0 HG SER A 51 0.809 -16.040 -4.813 1.00 0.00 H new ATOM 727 N GLY A 52 2.006 -12.518 -3.555 1.00 0.00 N ATOM 728 CA GLY A 52 3.273 -11.810 -3.546 1.00 0.00 C ATOM 729 C GLY A 52 3.317 -10.713 -2.500 1.00 0.00 C ATOM 730 O GLY A 52 2.419 -10.607 -1.664 1.00 0.00 O ATOM 0 H GLY A 52 1.941 -13.288 -2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.080 -12.518 -3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.451 -11.377 -4.530 1.00 0.00 H new ATOM 734 N GLN A 53 4.365 -9.898 -2.544 1.00 0.00 N ATOM 735 CA GLN A 53 4.525 -8.804 -1.593 1.00 0.00 C ATOM 736 C GLN A 53 3.753 -7.569 -2.047 1.00 0.00 C ATOM 737 O GLN A 53 3.602 -7.324 -3.245 1.00 0.00 O ATOM 738 CB GLN A 53 6.007 -8.463 -1.419 1.00 0.00 C ATOM 739 CG GLN A 53 6.548 -8.792 -0.037 1.00 0.00 C ATOM 740 CD GLN A 53 6.347 -10.248 0.337 1.00 0.00 C ATOM 741 OE1 GLN A 53 6.590 -11.146 -0.469 1.00 0.00 O ATOM 742 NE2 GLN A 53 5.899 -10.488 1.564 1.00 0.00 N ATOM 0 H GLN A 53 5.117 -9.974 -3.229 1.00 0.00 H new ATOM 0 HA GLN A 53 4.121 -9.128 -0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.586 -9.006 -2.166 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.152 -7.400 -1.614 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.611 -8.555 -0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.056 -8.160 0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.711 -9.712 2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.743 -11.448 1.871 1.00 0.00 H new ATOM 751 N TRP A 54 3.265 -6.795 -1.084 1.00 0.00 N ATOM 752 CA TRP A 54 2.509 -5.585 -1.384 1.00 0.00 C ATOM 753 C TRP A 54 2.581 -4.597 -0.224 1.00 0.00 C ATOM 754 O TRP A 54 3.022 -4.943 0.871 1.00 0.00 O ATOM 755 CB TRP A 54 1.050 -5.931 -1.685 1.00 0.00 C ATOM 756 CG TRP A 54 0.885 -6.833 -2.869 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.897 -8.199 -2.867 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.685 -6.435 -4.230 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.716 -8.673 -4.144 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.583 -7.610 -4.999 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.581 -5.198 -4.874 1.00 0.00 C ATOM 762 CZ2 TRP A 54 0.384 -7.583 -6.377 1.00 0.00 C ATOM 763 CZ3 TRP A 54 0.383 -5.173 -6.241 1.00 0.00 C ATOM 764 CH2 TRP A 54 0.286 -6.360 -6.979 1.00 0.00 C ATOM 0 H TRP A 54 3.380 -6.984 -0.088 1.00 0.00 H new ATOM 0 HA TRP A 54 2.953 -5.118 -2.263 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.609 -6.408 -0.810 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.494 -5.010 -1.859 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.029 -8.816 -1.990 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.686 -9.657 -4.412 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.654 -4.278 -4.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.310 -8.496 -6.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.302 -4.223 -6.749 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.130 -6.307 -8.046 1.00 0.00 H new ATOM 775 N ALA A 55 2.146 -3.366 -0.474 1.00 0.00 N ATOM 776 CA ALA A 55 2.161 -2.329 0.551 1.00 0.00 C ATOM 777 C ALA A 55 1.099 -1.270 0.274 1.00 0.00 C ATOM 778 O ALA A 55 0.941 -0.816 -0.859 1.00 0.00 O ATOM 779 CB ALA A 55 3.541 -1.691 0.633 1.00 0.00 C ATOM 0 H ALA A 55 1.779 -3.063 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 55 1.930 -2.793 1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.540 -0.918 1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.279 -2.452 0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.793 -1.245 -0.329 1.00 0.00 H new ATOM 785 N GLY A 56 0.375 -0.880 1.318 1.00 0.00 N ATOM 786 CA GLY A 56 -0.662 0.123 1.168 1.00 0.00 C ATOM 787 C GLY A 56 -0.136 1.533 1.349 1.00 0.00 C ATOM 788 O GLY A 56 0.095 1.977 2.473 1.00 0.00 O ATOM 0 H GLY A 56 0.488 -1.241 2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.112 0.031 0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.451 -0.063 1.896 1.00 0.00 H new ATOM 792 N ILE A 57 0.056 2.238 0.239 1.00 0.00 N ATOM 793 CA ILE A 57 0.560 3.606 0.280 1.00 0.00 C ATOM 794 C ILE A 57 -0.562 4.612 0.048 1.00 0.00 C ATOM 795 O ILE A 57 -1.453 4.385 -0.770 1.00 0.00 O ATOM 796 CB ILE A 57 1.661 3.831 -0.773 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.705 2.715 -0.699 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.314 5.191 -0.574 1.00 0.00 C ATOM 799 CD1 ILE A 57 2.513 1.637 -1.743 1.00 0.00 C ATOM 0 H ILE A 57 -0.130 1.885 -0.700 1.00 0.00 H new ATOM 0 HA ILE A 57 0.982 3.758 1.274 1.00 0.00 H new ATOM 0 HB ILE A 57 1.206 3.810 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.698 3.149 -0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.670 2.261 0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.090 5.335 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.562 5.974 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.758 5.239 0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.289 0.879 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.534 1.176 -1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.578 2.078 -2.738 1.00 0.00 H new ATOM 811 N GLU A 58 -0.511 5.724 0.773 1.00 0.00 N ATOM 812 CA GLU A 58 -1.523 6.767 0.645 1.00 0.00 C ATOM 813 C GLU A 58 -0.975 7.965 -0.122 1.00 0.00 C ATOM 814 O GLU A 58 -0.210 8.765 0.418 1.00 0.00 O ATOM 815 CB GLU A 58 -2.006 7.209 2.028 1.00 0.00 C ATOM 816 CG GLU A 58 -3.388 7.843 2.016 1.00 0.00 C ATOM 817 CD GLU A 58 -3.343 9.345 2.210 1.00 0.00 C ATOM 818 OE1 GLU A 58 -2.616 10.020 1.451 1.00 0.00 O ATOM 819 OE2 GLU A 58 -4.034 9.847 3.122 1.00 0.00 O ATOM 0 H GLU A 58 0.220 5.927 1.455 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.365 6.356 0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.017 6.345 2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.292 7.921 2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.879 7.617 1.069 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.995 7.397 2.804 1.00 0.00 H new ATOM 826 N LEU A 59 -1.371 8.084 -1.385 1.00 0.00 N ATOM 827 CA LEU A 59 -0.920 9.186 -2.227 1.00 0.00 C ATOM 828 C LEU A 59 -1.331 10.529 -1.633 1.00 0.00 C ATOM 829 O LEU A 59 -2.417 10.663 -1.069 1.00 0.00 O ATOM 830 CB LEU A 59 -1.492 9.043 -3.639 1.00 0.00 C ATOM 831 CG LEU A 59 -1.164 7.724 -4.341 1.00 0.00 C ATOM 832 CD1 LEU A 59 -2.304 7.310 -5.259 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.135 7.846 -5.122 1.00 0.00 C ATOM 0 H LEU A 59 -2.003 7.431 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 59 0.168 9.150 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.576 9.150 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.119 9.865 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.038 6.952 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.053 6.370 -5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.214 7.182 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.463 8.081 -6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.353 6.899 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.036 8.631 -5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.948 8.096 -4.440 1.00 0.00 H new ATOM 845 N ASP A 60 -0.457 11.522 -1.765 1.00 0.00 N ATOM 846 CA ASP A 60 -0.730 12.854 -1.242 1.00 0.00 C ATOM 847 C ASP A 60 -1.854 13.526 -2.026 1.00 0.00 C ATOM 848 O ASP A 60 -2.617 14.322 -1.481 1.00 0.00 O ATOM 849 CB ASP A 60 0.535 13.716 -1.296 1.00 0.00 C ATOM 850 CG ASP A 60 1.095 14.005 0.083 1.00 0.00 C ATOM 851 OD1 ASP A 60 1.476 13.044 0.784 1.00 0.00 O ATOM 852 OD2 ASP A 60 1.152 15.194 0.463 1.00 0.00 O ATOM 0 H ASP A 60 0.446 11.428 -2.230 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.047 12.753 -0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.292 13.209 -1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.310 14.657 -1.798 1.00 0.00 H new ATOM 857 N GLU A 61 -1.949 13.196 -3.311 1.00 0.00 N ATOM 858 CA GLU A 61 -2.979 13.766 -4.172 1.00 0.00 C ATOM 859 C GLU A 61 -3.982 12.698 -4.598 1.00 0.00 C ATOM 860 O GLU A 61 -3.668 11.507 -4.606 1.00 0.00 O ATOM 861 CB GLU A 61 -2.343 14.407 -5.407 1.00 0.00 C ATOM 862 CG GLU A 61 -1.563 15.675 -5.100 1.00 0.00 C ATOM 863 CD GLU A 61 -1.333 16.529 -6.331 1.00 0.00 C ATOM 864 OE1 GLU A 61 -0.347 16.275 -7.054 1.00 0.00 O ATOM 865 OE2 GLU A 61 -2.139 17.452 -6.572 1.00 0.00 O ATOM 0 H GLU A 61 -1.326 12.537 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.509 14.532 -3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.676 13.685 -5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.125 14.638 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.103 16.258 -4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.601 15.409 -4.662 1.00 0.00 H new ATOM 872 N PRO A 62 -5.210 13.110 -4.961 1.00 0.00 N ATOM 873 CA PRO A 62 -6.259 12.181 -5.391 1.00 0.00 C ATOM 874 C PRO A 62 -5.915 11.487 -6.706 1.00 0.00 C ATOM 875 O PRO A 62 -6.326 11.929 -7.778 1.00 0.00 O ATOM 876 CB PRO A 62 -7.488 13.079 -5.567 1.00 0.00 C ATOM 877 CG PRO A 62 -6.935 14.445 -5.788 1.00 0.00 C ATOM 878 CD PRO A 62 -5.668 14.510 -4.983 1.00 0.00 C ATOM 0 HA PRO A 62 -6.405 11.375 -4.672 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.095 12.757 -6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.128 13.050 -4.685 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.736 14.620 -6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.642 15.210 -5.466 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.931 15.167 -5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.849 14.890 -3.978 1.00 0.00 H new ATOM 886 N GLU A 63 -5.157 10.400 -6.614 1.00 0.00 N ATOM 887 CA GLU A 63 -4.757 9.645 -7.795 1.00 0.00 C ATOM 888 C GLU A 63 -4.664 8.154 -7.484 1.00 0.00 C ATOM 889 O GLU A 63 -3.828 7.445 -8.043 1.00 0.00 O ATOM 890 CB GLU A 63 -3.413 10.154 -8.320 1.00 0.00 C ATOM 891 CG GLU A 63 -3.488 11.537 -8.943 1.00 0.00 C ATOM 892 CD GLU A 63 -2.137 12.226 -8.998 1.00 0.00 C ATOM 893 OE1 GLU A 63 -1.486 12.343 -7.939 1.00 0.00 O ATOM 894 OE2 GLU A 63 -1.731 12.648 -10.102 1.00 0.00 O ATOM 0 H GLU A 63 -4.807 10.022 -5.733 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.518 9.790 -8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.695 10.173 -7.500 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.032 9.451 -9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.892 11.455 -9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.182 12.152 -8.371 1.00 0.00 H new ATOM 901 N GLY A 64 -5.528 7.686 -6.589 1.00 0.00 N ATOM 902 CA GLY A 64 -5.527 6.283 -6.219 1.00 0.00 C ATOM 903 C GLY A 64 -6.806 5.576 -6.622 1.00 0.00 C ATOM 904 O GLY A 64 -7.837 6.215 -6.828 1.00 0.00 O ATOM 0 H GLY A 64 -6.229 8.254 -6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.678 5.787 -6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.391 6.195 -5.141 1.00 0.00 H new ATOM 908 N LYS A 65 -6.739 4.254 -6.733 1.00 0.00 N ATOM 909 CA LYS A 65 -7.900 3.458 -7.114 1.00 0.00 C ATOM 910 C LYS A 65 -8.437 2.673 -5.922 1.00 0.00 C ATOM 911 O LYS A 65 -8.975 1.577 -6.080 1.00 0.00 O ATOM 912 CB LYS A 65 -7.537 2.499 -8.249 1.00 0.00 C ATOM 913 CG LYS A 65 -7.677 3.112 -9.633 1.00 0.00 C ATOM 914 CD LYS A 65 -6.337 3.593 -10.167 1.00 0.00 C ATOM 915 CE LYS A 65 -6.511 4.723 -11.169 1.00 0.00 C ATOM 916 NZ LYS A 65 -6.901 4.216 -12.514 1.00 0.00 N ATOM 0 H LYS A 65 -5.892 3.711 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.679 4.139 -7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.510 2.161 -8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.174 1.617 -8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.100 2.376 -10.317 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.375 3.948 -9.593 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.714 3.932 -9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.813 2.763 -10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.271 5.415 -10.807 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.580 5.285 -11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.010 5.017 -13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.164 3.575 -12.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.802 3.702 -12.443 1.00 0.00 H new ATOM 930 N ASN A 66 -8.287 3.240 -4.730 1.00 0.00 N ATOM 931 CA ASN A 66 -8.758 2.593 -3.511 1.00 0.00 C ATOM 932 C ASN A 66 -9.163 3.627 -2.465 1.00 0.00 C ATOM 933 O ASN A 66 -8.909 4.821 -2.628 1.00 0.00 O ATOM 934 CB ASN A 66 -7.672 1.676 -2.944 1.00 0.00 C ATOM 935 CG ASN A 66 -7.608 0.343 -3.664 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.609 -0.364 -3.776 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.425 -0.007 -4.157 1.00 0.00 N ATOM 0 H ASN A 66 -7.843 4.146 -4.582 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.635 1.996 -3.763 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.705 2.173 -3.019 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.861 1.505 -1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.320 -0.893 -4.652 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.621 0.610 -4.041 1.00 0.00 H new ATOM 944 N ASN A 67 -9.794 3.161 -1.392 1.00 0.00 N ATOM 945 CA ASN A 67 -10.233 4.046 -0.320 1.00 0.00 C ATOM 946 C ASN A 67 -9.739 3.546 1.035 1.00 0.00 C ATOM 947 O ASN A 67 -10.397 3.741 2.057 1.00 0.00 O ATOM 948 CB ASN A 67 -11.759 4.151 -0.312 1.00 0.00 C ATOM 949 CG ASN A 67 -12.434 2.796 -0.385 1.00 0.00 C ATOM 950 OD1 ASN A 67 -11.958 1.820 0.195 1.00 0.00 O ATOM 951 ND2 ASN A 67 -13.551 2.728 -1.101 1.00 0.00 N ATOM 0 H ASN A 67 -10.013 2.176 -1.242 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.808 5.033 -0.500 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.080 4.665 0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.083 4.761 -1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.049 1.842 -1.186 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.911 3.562 -1.566 1.00 0.00 H new ATOM 958 N GLY A 68 -8.578 2.901 1.034 1.00 0.00 N ATOM 959 CA GLY A 68 -8.016 2.384 2.268 1.00 0.00 C ATOM 960 C GLY A 68 -8.292 0.906 2.457 1.00 0.00 C ATOM 961 O GLY A 68 -7.516 0.200 3.102 1.00 0.00 O ATOM 0 H GLY A 68 -8.016 2.727 0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.939 2.553 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.428 2.938 3.111 1.00 0.00 H new ATOM 965 N SER A 69 -9.400 0.435 1.893 1.00 0.00 N ATOM 966 CA SER A 69 -9.776 -0.969 2.002 1.00 0.00 C ATOM 967 C SER A 69 -10.067 -1.563 0.628 1.00 0.00 C ATOM 968 O SER A 69 -10.219 -0.836 -0.354 1.00 0.00 O ATOM 969 CB SER A 69 -11.002 -1.120 2.906 1.00 0.00 C ATOM 970 OG SER A 69 -11.817 0.037 2.857 1.00 0.00 O ATOM 0 H SER A 69 -10.053 1.006 1.356 1.00 0.00 H new ATOM 0 HA SER A 69 -8.939 -1.511 2.442 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.581 -1.990 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.681 -1.299 3.932 1.00 0.00 H new ATOM 0 HG SER A 69 -12.594 -0.085 3.442 1.00 0.00 H new ATOM 976 N VAL A 70 -10.143 -2.888 0.566 1.00 0.00 N ATOM 977 CA VAL A 70 -10.415 -3.580 -0.688 1.00 0.00 C ATOM 978 C VAL A 70 -11.406 -4.721 -0.482 1.00 0.00 C ATOM 979 O VAL A 70 -11.034 -5.804 -0.029 1.00 0.00 O ATOM 980 CB VAL A 70 -9.124 -4.143 -1.312 1.00 0.00 C ATOM 981 CG1 VAL A 70 -9.396 -4.682 -2.708 1.00 0.00 C ATOM 982 CG2 VAL A 70 -8.039 -3.078 -1.346 1.00 0.00 C ATOM 0 H VAL A 70 -10.020 -3.504 1.370 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.846 -2.845 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.772 -4.968 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.472 -5.075 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.138 -5.479 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.773 -3.879 -3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.135 -3.494 -1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.379 -2.231 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.824 -2.745 -0.331 1.00 0.00 H new ATOM 992 N GLY A 71 -12.667 -4.471 -0.817 1.00 0.00 N ATOM 993 CA GLY A 71 -13.691 -5.487 -0.660 1.00 0.00 C ATOM 994 C GLY A 71 -14.193 -5.591 0.767 1.00 0.00 C ATOM 995 O GLY A 71 -14.673 -4.610 1.336 1.00 0.00 O ATOM 0 H GLY A 71 -12.998 -3.583 -1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.528 -5.260 -1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.292 -6.452 -0.972 1.00 0.00 H new ATOM 999 N ARG A 72 -14.080 -6.781 1.346 1.00 0.00 N ATOM 1000 CA ARG A 72 -14.526 -7.010 2.716 1.00 0.00 C ATOM 1001 C ARG A 72 -13.339 -7.081 3.671 1.00 0.00 C ATOM 1002 O ARG A 72 -13.390 -7.771 4.689 1.00 0.00 O ATOM 1003 CB ARG A 72 -15.342 -8.301 2.801 1.00 0.00 C ATOM 1004 CG ARG A 72 -16.739 -8.177 2.216 1.00 0.00 C ATOM 1005 CD ARG A 72 -17.693 -7.502 3.188 1.00 0.00 C ATOM 1006 NE ARG A 72 -18.187 -8.429 4.204 1.00 0.00 N ATOM 1007 CZ ARG A 72 -19.271 -8.208 4.944 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -19.978 -7.096 4.784 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -19.652 -9.103 5.846 1.00 0.00 N ATOM 0 H ARG A 72 -13.684 -7.602 0.889 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.156 -6.171 3.010 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.807 -9.094 2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.420 -8.604 3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.697 -7.604 1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.117 -9.167 1.962 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.186 -6.669 3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.536 -7.085 2.637 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.671 -9.296 4.355 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.692 -6.405 4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.808 -6.933 5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.114 -9.960 5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.483 -8.934 6.413 1.00 0.00 H new ATOM 1023 N VAL A 73 -12.271 -6.365 3.336 1.00 0.00 N ATOM 1024 CA VAL A 73 -11.071 -6.348 4.165 1.00 0.00 C ATOM 1025 C VAL A 73 -10.580 -4.923 4.392 1.00 0.00 C ATOM 1026 O VAL A 73 -10.792 -4.042 3.558 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.937 -7.174 3.529 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.770 -7.311 4.494 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -10.447 -8.541 3.100 1.00 0.00 C ATOM 0 H VAL A 73 -12.212 -5.789 2.496 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.342 -6.793 5.122 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.584 -6.649 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.979 -7.898 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.388 -6.322 4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.106 -7.812 5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.632 -9.110 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.829 -9.076 3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.247 -8.418 2.370 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.922 -4.702 5.526 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.400 -3.383 5.863 1.00 0.00 C ATOM 1041 C GLN A 74 -7.891 -3.433 6.079 1.00 0.00 C ATOM 1042 O GLN A 74 -7.365 -4.398 6.631 1.00 0.00 O ATOM 1043 CB GLN A 74 -10.088 -2.843 7.118 1.00 0.00 C ATOM 1044 CG GLN A 74 -9.737 -1.398 7.432 1.00 0.00 C ATOM 1045 CD GLN A 74 -10.490 -0.414 6.558 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -11.545 -0.733 6.009 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -9.950 0.793 6.425 1.00 0.00 N ATOM 0 H GLN A 74 -9.738 -5.420 6.227 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.608 -2.715 5.027 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.168 -2.927 6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.815 -3.467 7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.959 -1.193 8.479 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.665 -1.251 7.299 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.074 1.015 6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.412 1.498 5.850 1.00 0.00 H new ATOM 1056 N TYR A 75 -7.200 -2.385 5.640 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.751 -2.309 5.786 1.00 0.00 C ATOM 1058 C TYR A 75 -5.340 -1.003 6.457 1.00 0.00 C ATOM 1059 O TYR A 75 -4.817 -1.004 7.572 1.00 0.00 O ATOM 1060 CB TYR A 75 -5.073 -2.429 4.419 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.561 -3.604 3.602 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.825 -3.598 3.028 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.755 -4.719 3.405 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -7.274 -4.671 2.280 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -5.198 -5.795 2.658 1.00 0.00 C ATOM 1066 CZ TYR A 75 -6.457 -5.766 2.098 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.900 -6.835 1.354 1.00 0.00 O ATOM 0 H TYR A 75 -7.620 -1.577 5.180 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.430 -3.138 6.417 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.243 -1.511 3.857 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.996 -2.520 4.563 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.468 -2.742 3.168 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.768 -4.745 3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -8.260 -4.651 1.840 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.560 -6.655 2.514 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.527 -6.520 0.670 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.578 0.109 5.770 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.233 1.424 6.300 1.00 0.00 C ATOM 1079 C PHE A 76 -6.371 2.415 6.082 1.00 0.00 C ATOM 1080 O PHE A 76 -7.253 2.191 5.252 1.00 0.00 O ATOM 1081 CB PHE A 76 -3.955 1.943 5.640 1.00 0.00 C ATOM 1082 CG PHE A 76 -4.076 2.117 4.153 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -3.988 1.023 3.305 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.278 3.371 3.602 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -4.100 1.180 1.937 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.390 3.535 2.235 1.00 0.00 C ATOM 1087 CZ PHE A 76 -4.300 2.437 1.401 1.00 0.00 C ATOM 0 H PHE A 76 -6.008 0.127 4.845 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.065 1.323 7.372 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.686 2.899 6.089 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.140 1.251 5.852 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.830 0.038 3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.349 4.232 4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.031 0.320 1.287 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.548 4.519 1.819 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.386 2.562 0.332 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.347 3.512 6.832 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.377 4.538 6.720 1.00 0.00 C ATOM 1099 C LYS A 77 -6.917 5.675 5.814 1.00 0.00 C ATOM 1100 O LYS A 77 -5.781 6.140 5.911 1.00 0.00 O ATOM 1101 CB LYS A 77 -7.733 5.086 8.104 1.00 0.00 C ATOM 1102 CG LYS A 77 -8.426 4.071 8.999 1.00 0.00 C ATOM 1103 CD LYS A 77 -7.423 3.268 9.811 1.00 0.00 C ATOM 1104 CE LYS A 77 -7.157 3.913 11.161 1.00 0.00 C ATOM 1105 NZ LYS A 77 -8.003 3.324 12.235 1.00 0.00 N ATOM 0 H LYS A 77 -5.625 3.713 7.524 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.263 4.081 6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.823 5.430 8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.379 5.956 7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.112 4.586 9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.026 3.396 8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.799 2.256 9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.488 3.183 9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.105 3.792 11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.348 4.984 11.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.791 3.791 13.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.007 3.462 12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.803 2.307 12.316 1.00 0.00 H new ATOM 1119 N CYS A 78 -7.807 6.117 4.932 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.495 7.200 4.007 1.00 0.00 C ATOM 1121 C CYS A 78 -8.759 7.714 3.325 1.00 0.00 C ATOM 1122 O CYS A 78 -9.866 7.283 3.645 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.490 6.727 2.955 1.00 0.00 C ATOM 1124 SG CYS A 78 -7.110 5.412 1.880 1.00 0.00 S ATOM 0 H CYS A 78 -8.751 5.742 4.838 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.054 8.017 4.579 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.198 7.577 2.339 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.590 6.375 3.460 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.192 4.503 1.733 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.586 8.638 2.387 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.714 9.211 1.661 1.00 0.00 C ATOM 1132 C ALA A 79 -9.983 8.444 0.369 1.00 0.00 C ATOM 1133 O ALA A 79 -9.149 7.659 -0.082 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.458 10.682 1.366 1.00 0.00 C ATOM 0 H ALA A 79 -7.676 9.007 2.111 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.601 9.129 2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.307 11.098 0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.325 11.223 2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.557 10.780 0.760 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.159 8.660 -0.245 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.538 7.985 -1.491 1.00 0.00 C ATOM 1142 C PRO A 80 -10.638 8.377 -2.659 1.00 0.00 C ATOM 1143 O PRO A 80 -10.388 9.559 -2.893 1.00 0.00 O ATOM 1144 CB PRO A 80 -12.977 8.461 -1.746 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.439 9.036 -0.449 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.211 9.573 0.224 1.00 0.00 C ATOM 0 HA PRO A 80 -11.445 6.902 -1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.009 9.207 -2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.615 7.634 -2.059 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -14.172 9.826 -0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.920 8.276 0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -12.010 10.605 -0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.305 9.558 1.310 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.156 7.376 -3.390 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.287 7.615 -4.537 1.00 0.00 C ATOM 1156 C LYS A 81 -7.980 8.274 -4.108 1.00 0.00 C ATOM 1157 O LYS A 81 -7.451 9.140 -4.807 1.00 0.00 O ATOM 1158 CB LYS A 81 -9.999 8.490 -5.571 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.398 8.007 -5.916 1.00 0.00 C ATOM 1160 CD LYS A 81 -11.361 6.863 -6.917 1.00 0.00 C ATOM 1161 CE LYS A 81 -12.743 6.572 -7.481 1.00 0.00 C ATOM 1162 NZ LYS A 81 -12.972 5.112 -7.663 1.00 0.00 N ATOM 0 H LYS A 81 -10.353 6.392 -3.208 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.053 6.650 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.059 9.510 -5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.400 8.523 -6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.906 7.681 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.978 8.833 -6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.680 7.112 -7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.968 5.968 -6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.501 6.978 -6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.859 7.080 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.925 4.956 -8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.264 4.729 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.887 4.630 -6.745 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.460 7.859 -2.957 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.213 8.410 -2.439 1.00 0.00 C ATOM 1178 C TYR A 82 -5.199 7.302 -2.168 1.00 0.00 C ATOM 1179 O TYR A 82 -4.017 7.438 -2.481 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.472 9.208 -1.159 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.661 10.689 -1.395 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -7.918 11.215 -1.665 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -5.581 11.563 -1.348 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -8.095 12.568 -1.881 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -5.750 12.918 -1.564 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.009 13.416 -1.830 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.180 14.764 -2.044 1.00 0.00 O ATOM 0 H TYR A 82 -7.883 7.143 -2.366 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.800 9.078 -3.195 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.360 8.811 -0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.636 9.062 -0.475 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.772 10.555 -1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.594 11.177 -1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.080 12.960 -2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.900 13.584 -1.525 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.383 15.247 -1.742 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.671 6.205 -1.585 1.00 0.00 N ATOM 1198 CA GLY A 83 -4.793 5.090 -1.283 1.00 0.00 C ATOM 1199 C GLY A 83 -4.610 4.159 -2.466 1.00 0.00 C ATOM 1200 O GLY A 83 -5.438 4.132 -3.376 1.00 0.00 O ATOM 0 H GLY A 83 -6.645 6.068 -1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.821 5.471 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.200 4.528 -0.442 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.521 3.397 -2.456 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.232 2.463 -3.537 1.00 0.00 C ATOM 1206 C ILE A 84 -2.252 1.384 -3.084 1.00 0.00 C ATOM 1207 O ILE A 84 -1.464 1.595 -2.162 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.653 3.191 -4.767 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.460 2.213 -5.928 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.338 3.872 -4.415 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -2.485 2.877 -7.288 1.00 0.00 C ATOM 0 H ILE A 84 -2.824 3.408 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.176 1.995 -3.815 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.363 3.957 -5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.509 1.696 -5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.242 1.455 -5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.945 4.380 -5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.506 4.599 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.620 3.125 -4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.342 2.124 -8.063 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.446 3.371 -7.434 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.685 3.615 -7.347 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.308 0.228 -3.738 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.427 -0.885 -3.402 1.00 0.00 C ATOM 1225 C PHE A 85 -0.427 -1.146 -4.524 1.00 0.00 C ATOM 1226 O PHE A 85 -0.716 -0.904 -5.696 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.247 -2.147 -3.130 1.00 0.00 C ATOM 1228 CG PHE A 85 -2.974 -2.119 -1.816 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.128 -1.367 -1.664 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -2.504 -2.845 -0.733 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -4.799 -1.339 -0.456 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -3.171 -2.821 0.477 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.319 -2.067 0.616 1.00 0.00 C ATOM 0 H PHE A 85 -2.954 0.038 -4.504 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.873 -0.618 -2.502 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.971 -2.280 -3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.585 -3.012 -3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.507 -0.796 -2.499 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.606 -3.436 -0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.697 -0.749 -0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.795 -3.392 1.313 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.841 -2.046 1.561 1.00 0.00 H new ATOM 1243 N ALA A 86 0.749 -1.644 -4.156 1.00 0.00 N ATOM 1244 CA ALA A 86 1.793 -1.941 -5.130 1.00 0.00 C ATOM 1245 C ALA A 86 2.810 -2.925 -4.561 1.00 0.00 C ATOM 1246 O ALA A 86 2.993 -3.009 -3.346 1.00 0.00 O ATOM 1247 CB ALA A 86 2.483 -0.659 -5.569 1.00 0.00 C ATOM 0 H ALA A 86 1.003 -1.850 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 86 1.326 -2.405 -5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.260 -0.895 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.752 0.010 -6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.932 -0.172 -4.703 1.00 0.00 H new ATOM 1253 N PRO A 87 3.489 -3.690 -5.433 1.00 0.00 N ATOM 1254 CA PRO A 87 4.491 -4.673 -5.010 1.00 0.00 C ATOM 1255 C PRO A 87 5.606 -4.044 -4.181 1.00 0.00 C ATOM 1256 O PRO A 87 6.324 -3.164 -4.652 1.00 0.00 O ATOM 1257 CB PRO A 87 5.050 -5.217 -6.329 1.00 0.00 C ATOM 1258 CG PRO A 87 3.994 -4.931 -7.341 1.00 0.00 C ATOM 1259 CD PRO A 87 3.333 -3.657 -6.899 1.00 0.00 C ATOM 0 HA PRO A 87 4.056 -5.441 -4.371 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.990 -4.730 -6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.253 -6.286 -6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.426 -4.822 -8.336 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.273 -5.747 -7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.813 -2.781 -7.336 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.284 -3.625 -7.192 1.00 0.00 H new ATOM 1267 N LEU A 88 5.742 -4.503 -2.937 1.00 0.00 N ATOM 1268 CA LEU A 88 6.771 -3.987 -2.041 1.00 0.00 C ATOM 1269 C LEU A 88 8.118 -3.978 -2.747 1.00 0.00 C ATOM 1270 O LEU A 88 8.848 -2.987 -2.714 1.00 0.00 O ATOM 1271 CB LEU A 88 6.850 -4.836 -0.769 1.00 0.00 C ATOM 1272 CG LEU A 88 7.616 -4.197 0.390 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.820 -3.045 0.985 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.932 -5.237 1.455 1.00 0.00 C ATOM 0 H LEU A 88 5.153 -5.229 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 88 6.509 -2.967 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.836 -5.058 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.321 -5.788 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 88 8.556 -3.801 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.381 -2.602 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.644 -2.290 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.864 -3.416 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.477 -4.766 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.003 -5.662 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.542 -6.029 1.021 1.00 0.00 H new ATOM 1286 N SER A 89 8.424 -5.089 -3.407 1.00 0.00 N ATOM 1287 CA SER A 89 9.667 -5.214 -4.152 1.00 0.00 C ATOM 1288 C SER A 89 9.769 -4.093 -5.178 1.00 0.00 C ATOM 1289 O SER A 89 10.865 -3.709 -5.589 1.00 0.00 O ATOM 1290 CB SER A 89 9.737 -6.575 -4.849 1.00 0.00 C ATOM 1291 OG SER A 89 11.047 -6.840 -5.320 1.00 0.00 O ATOM 0 H SER A 89 7.827 -5.915 -3.440 1.00 0.00 H new ATOM 0 HA SER A 89 10.503 -5.138 -3.457 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.431 -7.358 -4.156 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.036 -6.596 -5.683 1.00 0.00 H new ATOM 0 HG SER A 89 11.066 -7.716 -5.760 1.00 0.00 H new ATOM 1297 N LYS A 90 8.615 -3.559 -5.574 1.00 0.00 N ATOM 1298 CA LYS A 90 8.573 -2.468 -6.537 1.00 0.00 C ATOM 1299 C LYS A 90 8.543 -1.120 -5.818 1.00 0.00 C ATOM 1300 O LYS A 90 8.727 -0.073 -6.440 1.00 0.00 O ATOM 1301 CB LYS A 90 7.349 -2.600 -7.446 1.00 0.00 C ATOM 1302 CG LYS A 90 7.492 -3.683 -8.504 1.00 0.00 C ATOM 1303 CD LYS A 90 7.498 -3.097 -9.907 1.00 0.00 C ATOM 1304 CE LYS A 90 6.750 -3.989 -10.886 1.00 0.00 C ATOM 1305 NZ LYS A 90 6.139 -3.206 -11.995 1.00 0.00 N ATOM 0 H LYS A 90 7.700 -3.865 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 90 9.473 -2.521 -7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.473 -2.815 -6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.167 -1.645 -7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.416 -4.237 -8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.672 -4.395 -8.410 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.040 -2.108 -9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.526 -2.967 -10.244 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.435 -4.729 -11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.971 -4.536 -10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.639 -3.850 -12.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.466 -2.516 -11.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.885 -2.704 -12.517 1.00 0.00 H new ATOM 1319 N ILE A 91 8.312 -1.152 -4.505 1.00 0.00 N ATOM 1320 CA ILE A 91 8.261 0.071 -3.712 1.00 0.00 C ATOM 1321 C ILE A 91 9.535 0.246 -2.892 1.00 0.00 C ATOM 1322 O ILE A 91 9.981 -0.679 -2.213 1.00 0.00 O ATOM 1323 CB ILE A 91 7.046 0.074 -2.764 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.765 -0.231 -3.542 1.00 0.00 C ATOM 1325 CG2 ILE A 91 6.933 1.414 -2.052 1.00 0.00 C ATOM 1326 CD1 ILE A 91 4.643 -0.757 -2.674 1.00 0.00 C ATOM 0 H ILE A 91 8.158 -2.008 -3.973 1.00 0.00 H new ATOM 0 HA ILE A 91 8.167 0.901 -4.412 1.00 0.00 H new ATOM 0 HB ILE A 91 7.187 -0.704 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.430 0.676 -4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.987 -0.963 -4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.070 1.401 -1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.837 1.595 -1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.811 2.208 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.766 -0.952 -3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.959 -1.682 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.394 -0.017 -1.913 1.00 0.00 H new ATOM 1338 N SER A 92 10.116 1.439 -2.960 1.00 0.00 N ATOM 1339 CA SER A 92 11.340 1.737 -2.225 1.00 0.00 C ATOM 1340 C SER A 92 11.229 3.079 -1.508 1.00 0.00 C ATOM 1341 O SER A 92 10.205 3.757 -1.592 1.00 0.00 O ATOM 1342 CB SER A 92 12.540 1.749 -3.173 1.00 0.00 C ATOM 1343 OG SER A 92 12.179 2.255 -4.446 1.00 0.00 O ATOM 0 H SER A 92 9.759 2.216 -3.517 1.00 0.00 H new ATOM 0 HA SER A 92 11.485 0.957 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.337 2.359 -2.748 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.934 0.738 -3.278 1.00 0.00 H new ATOM 0 HG SER A 92 12.964 2.254 -5.033 1.00 0.00 H new ATOM 1349 N LYS A 93 12.290 3.455 -0.802 1.00 0.00 N ATOM 1350 CA LYS A 93 12.313 4.717 -0.071 1.00 0.00 C ATOM 1351 C LYS A 93 12.476 5.897 -1.023 1.00 0.00 C ATOM 1352 O LYS A 93 13.212 5.816 -2.006 1.00 0.00 O ATOM 1353 CB LYS A 93 13.447 4.714 0.957 1.00 0.00 C ATOM 1354 CG LYS A 93 13.167 5.580 2.175 1.00 0.00 C ATOM 1355 CD LYS A 93 14.271 6.600 2.404 1.00 0.00 C ATOM 1356 CE LYS A 93 13.708 7.942 2.845 1.00 0.00 C ATOM 1357 NZ LYS A 93 14.562 8.590 3.879 1.00 0.00 N ATOM 0 H LYS A 93 13.145 2.904 -0.720 1.00 0.00 H new ATOM 0 HA LYS A 93 11.361 4.824 0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.627 3.690 1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.362 5.061 0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.216 6.096 2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.067 4.947 3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.961 6.227 3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.845 6.729 1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.621 8.601 1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.702 7.801 3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.144 9.502 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.625 7.973 4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.515 8.748 3.493 1.00 0.00 H new ATOM 1371 N LEU A 94 11.784 6.991 -0.724 1.00 0.00 N ATOM 1372 CA LEU A 94 11.852 8.188 -1.553 1.00 0.00 C ATOM 1373 C LEU A 94 13.244 8.810 -1.497 1.00 0.00 C ATOM 1374 O LEU A 94 13.809 8.994 -0.419 1.00 0.00 O ATOM 1375 CB LEU A 94 10.806 9.208 -1.100 1.00 0.00 C ATOM 1376 CG LEU A 94 10.631 10.411 -2.027 1.00 0.00 C ATOM 1377 CD1 LEU A 94 10.334 9.953 -3.446 1.00 0.00 C ATOM 1378 CD2 LEU A 94 9.523 11.320 -1.516 1.00 0.00 C ATOM 0 H LEU A 94 11.170 7.073 0.086 1.00 0.00 H new ATOM 0 HA LEU A 94 11.644 7.899 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.846 8.702 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.079 9.569 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 94 11.563 10.976 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.213 10.823 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.160 9.342 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.416 9.365 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.412 12.171 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.586 10.765 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.776 11.676 -0.518 1.00 0.00 H new