USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 609 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 821 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 824 HIS : no HE2:sc= -3.67! C(o=-5.5!,f=-5.6!) USER MOD Set 1.3: A 861 MET CE :methyl 156:sc= -1.87 (180deg=-1.72) USER MOD Single : A 801 HIS : no HD1:sc=-0.00291 X(o=-0.0029,f=-0.2) USER MOD Single : A 802 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.089) USER MOD Single : A 806 SER OG : rot 138:sc= -2.68! USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 812 CYS SG : rot 180:sc= -0.472 USER MOD Single : A 813 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 822 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 826 THR OG1 : rot 180:sc= 0 USER MOD Single : A 828 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 834 THR OG1 : rot -160:sc= -0.242 USER MOD Single : A 835 ASN : amide:sc= -2.91! C(o=-2.9!,f=-16!) USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 845 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 TYR OH : rot -178:sc= 0.646 USER MOD Single : A 850 ASN : amide:sc= -0.11 K(o=-0.11,f=-2!) USER MOD Single : A 852 SER OG : rot 180:sc= 0 USER MOD Single : A 853 GLN : amide:sc= -2.07 K(o=-2.1,f=-12!) USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 856 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 859 MET CE :methyl 171:sc=-0.00964 (180deg=-0.158) USER MOD Single : A 860 LYS NZ :NH3+ -154:sc= -0.204 (180deg=-0.817) USER MOD Single : A 864 MET CE :methyl -134:sc=-0.00305 (180deg=-2.39!) USER MOD Single : A 865 THR OG1 : rot 180:sc= 0 USER MOD Single : A 867 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 ASN : amide:sc= -0.722 K(o=-0.72,f=-2.2!) USER MOD Single : A 872 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 876 SER OG : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N HIS A 801 0.339 0.190 -9.299 1.00 0.00 N ATOM 240 CA HIS A 801 -0.842 0.910 -8.837 1.00 0.00 C ATOM 241 C HIS A 801 -1.117 0.615 -7.366 1.00 0.00 C ATOM 242 O HIS A 801 -1.758 1.405 -6.672 1.00 0.00 O ATOM 243 CB HIS A 801 -2.059 0.530 -9.681 1.00 0.00 C ATOM 244 CG HIS A 801 -2.543 -0.867 -9.440 1.00 0.00 C ATOM 245 ND1 HIS A 801 -1.890 -1.983 -9.917 1.00 0.00 N ATOM 246 CD2 HIS A 801 -3.624 -1.325 -8.765 1.00 0.00 C ATOM 247 CE1 HIS A 801 -2.548 -3.067 -9.548 1.00 0.00 C ATOM 248 NE2 HIS A 801 -3.604 -2.696 -8.847 1.00 0.00 N ATOM 0 HA HIS A 801 -0.652 1.978 -8.946 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -2.869 1.228 -9.470 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -1.808 0.642 -10.736 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -4.364 -0.724 -8.257 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -2.270 -4.084 -9.780 1.00 0.00 H new ATOM 0 HE2 HIS A 801 -4.293 -3.325 -8.434 1.00 0.00 H new ATOM 256 N LYS A 802 -0.628 -0.527 -6.895 1.00 0.00 N ATOM 257 CA LYS A 802 -0.819 -0.927 -5.506 1.00 0.00 C ATOM 258 C LYS A 802 0.172 -0.212 -4.592 1.00 0.00 C ATOM 259 O LYS A 802 1.142 0.386 -5.059 1.00 0.00 O ATOM 260 CB LYS A 802 -0.659 -2.442 -5.363 1.00 0.00 C ATOM 261 CG LYS A 802 -1.954 -3.212 -5.558 1.00 0.00 C ATOM 262 CD LYS A 802 -1.913 -4.559 -4.857 1.00 0.00 C ATOM 263 CE LYS A 802 -3.051 -5.460 -5.313 1.00 0.00 C ATOM 264 NZ LYS A 802 -2.826 -5.982 -6.689 1.00 0.00 N ATOM 0 H LYS A 802 -0.096 -1.193 -7.456 1.00 0.00 H new ATOM 0 HA LYS A 802 -1.829 -0.645 -5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 802 0.075 -2.792 -6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -0.259 -2.665 -4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -2.788 -2.626 -5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -2.133 -3.360 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -0.959 -5.046 -5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -1.974 -4.411 -3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -3.154 -6.295 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -3.988 -4.905 -5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -3.507 -6.743 -6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -2.955 -5.213 -7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -1.858 -6.355 -6.765 1.00 0.00 H new ATOM 278 N LEU A 803 -0.078 -0.279 -3.289 1.00 0.00 N ATOM 279 CA LEU A 803 0.793 0.361 -2.309 1.00 0.00 C ATOM 280 C LEU A 803 1.028 -0.553 -1.111 1.00 0.00 C ATOM 281 O LEU A 803 0.304 -1.528 -0.909 1.00 0.00 O ATOM 282 CB LEU A 803 0.185 1.685 -1.844 1.00 0.00 C ATOM 283 CG LEU A 803 -0.400 2.576 -2.940 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.334 3.616 -2.340 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.713 3.249 -3.731 1.00 0.00 C ATOM 0 H LEU A 803 -0.876 -0.770 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 803 1.753 0.558 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -0.602 1.467 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 803 0.954 2.249 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 803 -0.976 1.950 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -1.741 4.241 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -2.150 3.115 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -0.781 4.238 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 803 0.278 3.879 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.316 3.862 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 803 1.343 2.488 -4.192 1.00 0.00 H new ATOM 297 N PHE A 804 2.044 -0.230 -0.317 1.00 0.00 N ATOM 298 CA PHE A 804 2.374 -1.021 0.863 1.00 0.00 C ATOM 299 C PHE A 804 2.674 -0.119 2.056 1.00 0.00 C ATOM 300 O PHE A 804 3.493 0.796 1.965 1.00 0.00 O ATOM 301 CB PHE A 804 3.575 -1.925 0.577 1.00 0.00 C ATOM 302 CG PHE A 804 4.026 -2.717 1.771 1.00 0.00 C ATOM 303 CD1 PHE A 804 3.239 -3.739 2.278 1.00 0.00 C ATOM 304 CD2 PHE A 804 5.236 -2.440 2.387 1.00 0.00 C ATOM 305 CE1 PHE A 804 3.651 -4.471 3.376 1.00 0.00 C ATOM 306 CE2 PHE A 804 5.653 -3.169 3.485 1.00 0.00 C ATOM 307 CZ PHE A 804 4.859 -4.184 3.980 1.00 0.00 C ATOM 0 H PHE A 804 2.653 0.574 -0.469 1.00 0.00 H new ATOM 0 HA PHE A 804 1.511 -1.641 1.107 1.00 0.00 H new ATOM 0 HB2 PHE A 804 3.319 -2.612 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.404 -1.313 0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 804 2.293 -3.966 1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 804 5.860 -1.646 2.005 1.00 0.00 H new ATOM 0 HE1 PHE A 804 3.029 -5.266 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 804 6.599 -2.945 3.955 1.00 0.00 H new ATOM 0 HZ PHE A 804 5.182 -4.753 4.839 1.00 0.00 H new ATOM 317 N ILE A 805 2.005 -0.383 3.173 1.00 0.00 N ATOM 318 CA ILE A 805 2.200 0.404 4.384 1.00 0.00 C ATOM 319 C ILE A 805 2.572 -0.486 5.565 1.00 0.00 C ATOM 320 O ILE A 805 1.962 -1.533 5.783 1.00 0.00 O ATOM 321 CB ILE A 805 0.936 1.210 4.741 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.296 1.784 3.476 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.277 2.323 5.721 1.00 0.00 C ATOM 324 CD1 ILE A 805 -1.021 2.483 3.729 1.00 0.00 C ATOM 0 H ILE A 805 1.323 -1.136 3.264 1.00 0.00 H new ATOM 0 HA ILE A 805 3.018 1.096 4.182 1.00 0.00 H new ATOM 0 HB ILE A 805 0.219 0.541 5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 805 0.989 2.488 3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 805 0.138 0.977 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 805 0.374 2.883 5.964 1.00 0.00 H new ATOM 0 HG22 ILE A 805 1.692 1.891 6.632 1.00 0.00 H new ATOM 0 HG23 ILE A 805 2.010 2.993 5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -1.417 2.865 2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.730 1.777 4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 805 -0.866 3.311 4.420 1.00 0.00 H new ATOM 336 N SER A 806 3.577 -0.062 6.325 1.00 0.00 N ATOM 337 CA SER A 806 4.032 -0.822 7.483 1.00 0.00 C ATOM 338 C SER A 806 4.259 0.096 8.680 1.00 0.00 C ATOM 339 O SER A 806 4.577 1.274 8.522 1.00 0.00 O ATOM 340 CB SER A 806 5.323 -1.574 7.151 1.00 0.00 C ATOM 341 OG SER A 806 5.230 -2.214 5.890 1.00 0.00 O ATOM 0 H SER A 806 4.091 0.803 6.160 1.00 0.00 H new ATOM 0 HA SER A 806 3.256 -1.543 7.741 1.00 0.00 H new ATOM 0 HB2 SER A 806 6.162 -0.879 7.148 1.00 0.00 H new ATOM 0 HB3 SER A 806 5.525 -2.315 7.924 1.00 0.00 H new ATOM 0 HG SER A 806 6.070 -2.094 5.399 1.00 0.00 H new ATOM 347 N GLY A 807 4.092 -0.454 9.879 1.00 0.00 N ATOM 348 CA GLY A 807 4.282 0.329 11.087 1.00 0.00 C ATOM 349 C GLY A 807 3.036 1.095 11.483 1.00 0.00 C ATOM 350 O GLY A 807 3.122 2.196 12.028 1.00 0.00 O ATOM 0 H GLY A 807 3.829 -1.427 10.036 1.00 0.00 H new ATOM 0 HA2 GLY A 807 4.573 -0.332 11.903 1.00 0.00 H new ATOM 0 HA3 GLY A 807 5.103 1.030 10.937 1.00 0.00 H new ATOM 354 N LEU A 808 1.874 0.514 11.207 1.00 0.00 N ATOM 355 CA LEU A 808 0.603 1.151 11.537 1.00 0.00 C ATOM 356 C LEU A 808 0.106 0.698 12.906 1.00 0.00 C ATOM 357 O LEU A 808 0.263 -0.458 13.299 1.00 0.00 O ATOM 358 CB LEU A 808 -0.444 0.829 10.469 1.00 0.00 C ATOM 359 CG LEU A 808 -0.298 1.572 9.141 1.00 0.00 C ATOM 360 CD1 LEU A 808 -1.049 0.843 8.037 1.00 0.00 C ATOM 361 CD2 LEU A 808 -0.798 3.003 9.273 1.00 0.00 C ATOM 0 H LEU A 808 1.785 -0.396 10.756 1.00 0.00 H new ATOM 0 HA LEU A 808 0.762 2.229 11.567 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -0.412 -0.242 10.269 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -1.430 1.047 10.878 1.00 0.00 H new ATOM 0 HG LEU A 808 0.759 1.601 8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -0.934 1.386 7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -0.645 -0.163 7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -2.106 0.783 8.294 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -0.686 3.517 8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -1.849 2.996 9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -0.217 3.523 10.035 1.00 0.00 H new ATOM 373 N PRO A 809 -0.511 1.628 13.650 1.00 0.00 N ATOM 374 CA PRO A 809 -1.046 1.347 14.985 1.00 0.00 C ATOM 375 C PRO A 809 -2.267 0.433 14.940 1.00 0.00 C ATOM 376 O PRO A 809 -3.217 0.686 14.199 1.00 0.00 O ATOM 377 CB PRO A 809 -1.434 2.731 15.510 1.00 0.00 C ATOM 378 CG PRO A 809 -1.684 3.544 14.287 1.00 0.00 C ATOM 379 CD PRO A 809 -0.733 3.026 13.244 1.00 0.00 C ATOM 0 HA PRO A 809 -0.323 0.825 15.612 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -2.322 2.681 16.140 1.00 0.00 H new ATOM 0 HB3 PRO A 809 -0.637 3.162 16.116 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -2.718 3.444 13.957 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -1.512 4.603 14.480 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -1.160 3.091 12.243 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.198 3.593 13.231 1.00 0.00 H new ATOM 387 N PHE A 810 -2.234 -0.629 15.737 1.00 0.00 N ATOM 388 CA PHE A 810 -3.338 -1.581 15.787 1.00 0.00 C ATOM 389 C PHE A 810 -4.677 -0.856 15.883 1.00 0.00 C ATOM 390 O PHE A 810 -5.631 -1.197 15.183 1.00 0.00 O ATOM 391 CB PHE A 810 -3.170 -2.526 16.978 1.00 0.00 C ATOM 392 CG PHE A 810 -1.764 -3.025 17.155 1.00 0.00 C ATOM 393 CD1 PHE A 810 -1.108 -3.668 16.119 1.00 0.00 C ATOM 394 CD2 PHE A 810 -1.100 -2.850 18.358 1.00 0.00 C ATOM 395 CE1 PHE A 810 0.186 -4.128 16.278 1.00 0.00 C ATOM 396 CE2 PHE A 810 0.194 -3.306 18.523 1.00 0.00 C ATOM 397 CZ PHE A 810 0.838 -3.947 17.482 1.00 0.00 C ATOM 0 H PHE A 810 -1.456 -0.853 16.357 1.00 0.00 H new ATOM 0 HA PHE A 810 -3.326 -2.163 14.866 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -3.481 -2.011 17.887 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -3.836 -3.379 16.851 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -1.613 -3.812 15.175 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -1.599 -2.352 19.176 1.00 0.00 H new ATOM 0 HE1 PHE A 810 0.686 -4.628 15.462 1.00 0.00 H new ATOM 0 HE2 PHE A 810 0.702 -3.161 19.465 1.00 0.00 H new ATOM 0 HZ PHE A 810 1.849 -4.306 17.610 1.00 0.00 H new ATOM 407 N SER A 811 -4.740 0.145 16.755 1.00 0.00 N ATOM 408 CA SER A 811 -5.963 0.916 16.947 1.00 0.00 C ATOM 409 C SER A 811 -6.667 1.158 15.615 1.00 0.00 C ATOM 410 O SER A 811 -7.863 0.897 15.476 1.00 0.00 O ATOM 411 CB SER A 811 -5.648 2.253 17.620 1.00 0.00 C ATOM 412 OG SER A 811 -5.201 2.060 18.951 1.00 0.00 O ATOM 0 H SER A 811 -3.959 0.441 17.340 1.00 0.00 H new ATOM 0 HA SER A 811 -6.628 0.341 17.591 1.00 0.00 H new ATOM 0 HB2 SER A 811 -4.884 2.780 17.049 1.00 0.00 H new ATOM 0 HB3 SER A 811 -6.538 2.883 17.619 1.00 0.00 H new ATOM 0 HG SER A 811 -5.004 2.929 19.359 1.00 0.00 H new ATOM 418 N CYS A 812 -5.917 1.658 14.639 1.00 0.00 N ATOM 419 CA CYS A 812 -6.468 1.937 13.318 1.00 0.00 C ATOM 420 C CYS A 812 -7.150 0.701 12.741 1.00 0.00 C ATOM 421 O CYS A 812 -7.035 -0.397 13.286 1.00 0.00 O ATOM 422 CB CYS A 812 -5.364 2.413 12.372 1.00 0.00 C ATOM 423 SG CYS A 812 -5.963 3.379 10.966 1.00 0.00 S ATOM 0 H CYS A 812 -4.926 1.878 14.738 1.00 0.00 H new ATOM 0 HA CYS A 812 -7.213 2.726 13.422 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -4.652 3.015 12.936 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -4.821 1.545 11.998 1.00 0.00 H new ATOM 0 HG CYS A 812 -4.956 3.738 10.226 1.00 0.00 H new ATOM 429 N THR A 813 -7.863 0.886 11.634 1.00 0.00 N ATOM 430 CA THR A 813 -8.567 -0.212 10.985 1.00 0.00 C ATOM 431 C THR A 813 -8.848 0.104 9.521 1.00 0.00 C ATOM 432 O THR A 813 -8.550 1.199 9.043 1.00 0.00 O ATOM 433 CB THR A 813 -9.897 -0.526 11.695 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.563 -1.607 11.034 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.801 0.697 11.715 1.00 0.00 C ATOM 0 H THR A 813 -7.968 1.787 11.168 1.00 0.00 H new ATOM 0 HA THR A 813 -7.916 -1.084 11.047 1.00 0.00 H new ATOM 0 HB THR A 813 -9.675 -0.812 12.723 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.407 -1.801 11.493 1.00 0.00 H new ATOM 0 HG21 THR A 813 -11.734 0.451 12.221 1.00 0.00 H new ATOM 0 HG22 THR A 813 -10.303 1.509 12.245 1.00 0.00 H new ATOM 0 HG23 THR A 813 -11.014 1.009 10.692 1.00 0.00 H new ATOM 443 N LYS A 814 -9.424 -0.861 8.812 1.00 0.00 N ATOM 444 CA LYS A 814 -9.748 -0.685 7.401 1.00 0.00 C ATOM 445 C LYS A 814 -10.516 0.614 7.177 1.00 0.00 C ATOM 446 O LYS A 814 -10.232 1.358 6.240 1.00 0.00 O ATOM 447 CB LYS A 814 -10.572 -1.871 6.895 1.00 0.00 C ATOM 448 CG LYS A 814 -10.376 -2.162 5.417 1.00 0.00 C ATOM 449 CD LYS A 814 -11.136 -3.405 4.987 1.00 0.00 C ATOM 450 CE LYS A 814 -11.465 -3.371 3.502 1.00 0.00 C ATOM 451 NZ LYS A 814 -12.485 -4.393 3.137 1.00 0.00 N ATOM 0 H LYS A 814 -9.676 -1.774 9.192 1.00 0.00 H new ATOM 0 HA LYS A 814 -8.813 -0.635 6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -10.307 -2.758 7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -11.628 -1.675 7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -10.712 -1.308 4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -9.314 -2.294 5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -10.542 -4.291 5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -12.058 -3.487 5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -11.831 -2.380 3.234 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -10.556 -3.542 2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -12.682 -4.338 2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -12.125 -5.341 3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -13.361 -4.215 3.669 1.00 0.00 H new ATOM 465 N GLU A 815 -11.488 0.879 8.044 1.00 0.00 N ATOM 466 CA GLU A 815 -12.296 2.088 7.940 1.00 0.00 C ATOM 467 C GLU A 815 -11.420 3.335 8.017 1.00 0.00 C ATOM 468 O GLU A 815 -11.321 4.097 7.056 1.00 0.00 O ATOM 469 CB GLU A 815 -13.350 2.122 9.048 1.00 0.00 C ATOM 470 CG GLU A 815 -14.494 1.146 8.831 1.00 0.00 C ATOM 471 CD GLU A 815 -15.407 1.040 10.036 1.00 0.00 C ATOM 472 OE1 GLU A 815 -16.383 1.816 10.112 1.00 0.00 O ATOM 473 OE2 GLU A 815 -15.147 0.181 10.904 1.00 0.00 O ATOM 0 H GLU A 815 -11.735 0.273 8.826 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.798 2.076 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.870 1.900 10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.754 3.132 9.122 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -15.076 1.461 7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -14.088 0.161 8.600 1.00 0.00 H new ATOM 480 N GLU A 816 -10.786 3.536 9.169 1.00 0.00 N ATOM 481 CA GLU A 816 -9.920 4.691 9.372 1.00 0.00 C ATOM 482 C GLU A 816 -8.911 4.822 8.235 1.00 0.00 C ATOM 483 O GLU A 816 -8.842 5.854 7.566 1.00 0.00 O ATOM 484 CB GLU A 816 -9.185 4.576 10.710 1.00 0.00 C ATOM 485 CG GLU A 816 -10.088 4.760 11.918 1.00 0.00 C ATOM 486 CD GLU A 816 -9.316 5.116 13.174 1.00 0.00 C ATOM 487 OE1 GLU A 816 -8.758 6.232 13.230 1.00 0.00 O ATOM 488 OE2 GLU A 816 -9.270 4.280 14.100 1.00 0.00 O ATOM 0 H GLU A 816 -10.856 2.914 9.975 1.00 0.00 H new ATOM 0 HA GLU A 816 -10.545 5.584 9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.707 3.598 10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -8.391 5.322 10.744 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -10.815 5.545 11.708 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -10.651 3.842 12.090 1.00 0.00 H new ATOM 495 N LEU A 817 -8.130 3.768 8.021 1.00 0.00 N ATOM 496 CA LEU A 817 -7.124 3.764 6.965 1.00 0.00 C ATOM 497 C LEU A 817 -7.752 4.083 5.612 1.00 0.00 C ATOM 498 O LEU A 817 -7.462 5.117 5.011 1.00 0.00 O ATOM 499 CB LEU A 817 -6.423 2.406 6.907 1.00 0.00 C ATOM 500 CG LEU A 817 -5.062 2.382 6.210 1.00 0.00 C ATOM 501 CD1 LEU A 817 -4.068 3.265 6.949 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.539 0.956 6.110 1.00 0.00 C ATOM 0 H LEU A 817 -8.174 2.906 8.565 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.390 4.536 7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.293 2.043 7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -7.081 1.701 6.399 1.00 0.00 H new ATOM 0 HG LEU A 817 -5.185 2.775 5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -3.105 3.235 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.437 4.290 6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -3.948 2.903 7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.570 0.958 5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.431 0.537 7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -5.241 0.350 5.536 1.00 0.00 H new ATOM 514 N GLU A 818 -8.616 3.189 5.141 1.00 0.00 N ATOM 515 CA GLU A 818 -9.287 3.377 3.860 1.00 0.00 C ATOM 516 C GLU A 818 -9.660 4.842 3.651 1.00 0.00 C ATOM 517 O GLU A 818 -9.454 5.397 2.573 1.00 0.00 O ATOM 518 CB GLU A 818 -10.541 2.504 3.783 1.00 0.00 C ATOM 519 CG GLU A 818 -11.418 2.803 2.579 1.00 0.00 C ATOM 520 CD GLU A 818 -12.461 3.865 2.866 1.00 0.00 C ATOM 521 OE1 GLU A 818 -12.095 5.058 2.919 1.00 0.00 O ATOM 522 OE2 GLU A 818 -13.644 3.503 3.037 1.00 0.00 O ATOM 0 H GLU A 818 -8.868 2.328 5.627 1.00 0.00 H new ATOM 0 HA GLU A 818 -8.597 3.079 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -10.243 1.456 3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.127 2.643 4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -10.791 3.130 1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -11.916 1.887 2.260 1.00 0.00 H new ATOM 529 N GLU A 819 -10.211 5.460 4.691 1.00 0.00 N ATOM 530 CA GLU A 819 -10.614 6.860 4.620 1.00 0.00 C ATOM 531 C GLU A 819 -9.430 7.749 4.254 1.00 0.00 C ATOM 532 O GLU A 819 -9.457 8.452 3.243 1.00 0.00 O ATOM 533 CB GLU A 819 -11.211 7.310 5.956 1.00 0.00 C ATOM 534 CG GLU A 819 -12.701 7.040 6.079 1.00 0.00 C ATOM 535 CD GLU A 819 -13.390 7.996 7.032 1.00 0.00 C ATOM 536 OE1 GLU A 819 -13.222 7.835 8.259 1.00 0.00 O ATOM 537 OE2 GLU A 819 -14.098 8.906 6.552 1.00 0.00 O ATOM 0 H GLU A 819 -10.388 5.014 5.591 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.371 6.955 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -10.690 6.801 6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -11.032 8.378 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -13.163 7.118 5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -12.854 6.017 6.423 1.00 0.00 H new ATOM 544 N ILE A 820 -8.392 7.714 5.084 1.00 0.00 N ATOM 545 CA ILE A 820 -7.198 8.516 4.847 1.00 0.00 C ATOM 546 C ILE A 820 -6.723 8.383 3.405 1.00 0.00 C ATOM 547 O ILE A 820 -6.293 9.359 2.789 1.00 0.00 O ATOM 548 CB ILE A 820 -6.052 8.111 5.793 1.00 0.00 C ATOM 549 CG1 ILE A 820 -6.478 8.289 7.252 1.00 0.00 C ATOM 550 CG2 ILE A 820 -4.806 8.931 5.495 1.00 0.00 C ATOM 551 CD1 ILE A 820 -5.616 7.523 8.231 1.00 0.00 C ATOM 0 H ILE A 820 -8.354 7.139 5.926 1.00 0.00 H new ATOM 0 HA ILE A 820 -7.471 9.553 5.042 1.00 0.00 H new ATOM 0 HB ILE A 820 -5.819 7.059 5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -6.446 9.349 7.505 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -7.513 7.966 7.362 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -4.005 8.634 6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -4.494 8.758 4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -5.025 9.990 5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -5.976 7.696 9.245 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -5.667 6.458 8.005 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -4.583 7.862 8.150 1.00 0.00 H new ATOM 563 N CYS A 821 -6.805 7.169 2.870 1.00 0.00 N ATOM 564 CA CYS A 821 -6.384 6.908 1.498 1.00 0.00 C ATOM 565 C CYS A 821 -7.231 7.702 0.509 1.00 0.00 C ATOM 566 O CYS A 821 -6.704 8.374 -0.377 1.00 0.00 O ATOM 567 CB CYS A 821 -6.484 5.414 1.188 1.00 0.00 C ATOM 568 SG CYS A 821 -5.253 4.400 2.041 1.00 0.00 S ATOM 0 H CYS A 821 -7.159 6.351 3.365 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.346 7.225 1.396 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -7.480 5.063 1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.377 5.269 0.113 1.00 0.00 H new ATOM 0 HG CYS A 821 -5.419 3.152 1.717 1.00 0.00 H new ATOM 574 N LYS A 822 -8.548 7.619 0.666 1.00 0.00 N ATOM 575 CA LYS A 822 -9.470 8.329 -0.213 1.00 0.00 C ATOM 576 C LYS A 822 -9.082 9.800 -0.334 1.00 0.00 C ATOM 577 O LYS A 822 -9.229 10.404 -1.396 1.00 0.00 O ATOM 578 CB LYS A 822 -10.902 8.211 0.313 1.00 0.00 C ATOM 579 CG LYS A 822 -11.380 6.776 0.457 1.00 0.00 C ATOM 580 CD LYS A 822 -12.894 6.681 0.364 1.00 0.00 C ATOM 581 CE LYS A 822 -13.361 6.629 -1.083 1.00 0.00 C ATOM 582 NZ LYS A 822 -13.256 5.256 -1.650 1.00 0.00 N ATOM 0 H LYS A 822 -9.001 7.067 1.394 1.00 0.00 H new ATOM 0 HA LYS A 822 -9.414 7.873 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -10.966 8.706 1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -11.573 8.743 -0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -10.927 6.161 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -11.047 6.375 1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -13.237 5.790 0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -13.345 7.539 0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -14.395 6.969 -1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -12.764 7.316 -1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -13.583 5.262 -2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -12.265 4.941 -1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -13.846 4.605 -1.094 1.00 0.00 H new ATOM 596 N ALA A 823 -8.585 10.368 0.759 1.00 0.00 N ATOM 597 CA ALA A 823 -8.173 11.766 0.773 1.00 0.00 C ATOM 598 C ALA A 823 -7.281 12.088 -0.421 1.00 0.00 C ATOM 599 O ALA A 823 -7.483 13.090 -1.108 1.00 0.00 O ATOM 600 CB ALA A 823 -7.453 12.091 2.074 1.00 0.00 C ATOM 0 H ALA A 823 -8.458 9.882 1.647 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.069 12.383 0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -7.151 13.138 2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.122 11.909 2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -6.570 11.459 2.169 1.00 0.00 H new ATOM 606 N HIS A 824 -6.293 11.232 -0.664 1.00 0.00 N ATOM 607 CA HIS A 824 -5.370 11.425 -1.776 1.00 0.00 C ATOM 608 C HIS A 824 -6.071 11.194 -3.111 1.00 0.00 C ATOM 609 O HIS A 824 -6.109 12.079 -3.965 1.00 0.00 O ATOM 610 CB HIS A 824 -4.174 10.481 -1.645 1.00 0.00 C ATOM 611 CG HIS A 824 -3.513 10.535 -0.302 1.00 0.00 C ATOM 612 ND1 HIS A 824 -2.748 11.602 0.118 1.00 0.00 N ATOM 613 CD2 HIS A 824 -3.508 9.645 0.719 1.00 0.00 C ATOM 614 CE1 HIS A 824 -2.299 11.366 1.338 1.00 0.00 C ATOM 615 NE2 HIS A 824 -2.747 10.185 1.726 1.00 0.00 N ATOM 0 H HIS A 824 -6.112 10.398 -0.105 1.00 0.00 H new ATOM 0 HA HIS A 824 -5.015 12.455 -1.745 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -4.504 9.460 -1.837 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -3.440 10.729 -2.412 1.00 0.00 H new ATOM 0 HD1 HIS A 824 -2.558 12.443 -0.428 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -4.009 8.689 0.737 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -1.672 12.026 1.919 1.00 0.00 H new ATOM 623 N GLY A 825 -6.626 9.998 -3.284 1.00 0.00 N ATOM 624 CA GLY A 825 -7.317 9.673 -4.517 1.00 0.00 C ATOM 625 C GLY A 825 -8.463 8.703 -4.301 1.00 0.00 C ATOM 626 O GLY A 825 -9.113 8.722 -3.256 1.00 0.00 O ATOM 0 H GLY A 825 -6.609 9.249 -2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -7.700 10.589 -4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -6.608 9.242 -5.224 1.00 0.00 H new ATOM 630 N THR A 826 -8.712 7.854 -5.293 1.00 0.00 N ATOM 631 CA THR A 826 -9.789 6.875 -5.208 1.00 0.00 C ATOM 632 C THR A 826 -9.256 5.505 -4.804 1.00 0.00 C ATOM 633 O THR A 826 -8.315 4.991 -5.409 1.00 0.00 O ATOM 634 CB THR A 826 -10.538 6.747 -6.548 1.00 0.00 C ATOM 635 OG1 THR A 826 -11.137 8.000 -6.896 1.00 0.00 O ATOM 636 CG2 THR A 826 -11.612 5.672 -6.466 1.00 0.00 C ATOM 0 H THR A 826 -8.183 7.824 -6.164 1.00 0.00 H new ATOM 0 HA THR A 826 -10.481 7.232 -4.445 1.00 0.00 H new ATOM 0 HB THR A 826 -9.818 6.463 -7.316 1.00 0.00 H new ATOM 0 HG1 THR A 826 -11.610 7.911 -7.750 1.00 0.00 H new ATOM 0 HG21 THR A 826 -12.128 5.599 -7.423 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.150 4.714 -6.229 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.328 5.932 -5.687 1.00 0.00 H new ATOM 644 N VAL A 827 -9.863 4.918 -3.777 1.00 0.00 N ATOM 645 CA VAL A 827 -9.450 3.606 -3.294 1.00 0.00 C ATOM 646 C VAL A 827 -10.398 2.517 -3.782 1.00 0.00 C ATOM 647 O VAL A 827 -11.558 2.458 -3.373 1.00 0.00 O ATOM 648 CB VAL A 827 -9.391 3.569 -1.755 1.00 0.00 C ATOM 649 CG1 VAL A 827 -9.232 2.139 -1.261 1.00 0.00 C ATOM 650 CG2 VAL A 827 -8.259 4.447 -1.244 1.00 0.00 C ATOM 0 H VAL A 827 -10.642 5.330 -3.264 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.453 3.420 -3.694 1.00 0.00 H new ATOM 0 HB VAL A 827 -10.330 3.961 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -9.192 2.133 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -10.080 1.542 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -8.310 1.717 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -8.232 4.409 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -7.311 4.087 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -8.422 5.475 -1.567 1.00 0.00 H new ATOM 660 N LYS A 828 -9.897 1.655 -4.660 1.00 0.00 N ATOM 661 CA LYS A 828 -10.698 0.565 -5.205 1.00 0.00 C ATOM 662 C LYS A 828 -10.901 -0.533 -4.165 1.00 0.00 C ATOM 663 O LYS A 828 -11.979 -1.121 -4.072 1.00 0.00 O ATOM 664 CB LYS A 828 -10.026 -0.016 -6.451 1.00 0.00 C ATOM 665 CG LYS A 828 -9.937 0.965 -7.607 1.00 0.00 C ATOM 666 CD LYS A 828 -11.274 1.120 -8.311 1.00 0.00 C ATOM 667 CE LYS A 828 -11.583 -0.080 -9.192 1.00 0.00 C ATOM 668 NZ LYS A 828 -10.909 0.015 -10.517 1.00 0.00 N ATOM 0 H LYS A 828 -8.939 1.690 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.673 0.966 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -9.022 -0.349 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -10.580 -0.897 -6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -9.605 1.935 -7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -9.187 0.622 -8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -12.064 1.242 -7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -11.264 2.025 -8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -11.265 -0.992 -8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -12.661 -0.156 -9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -11.145 -0.822 -11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -11.232 0.872 -11.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -9.879 0.061 -10.380 1.00 0.00 H new ATOM 682 N ASP A 829 -9.860 -0.803 -3.386 1.00 0.00 N ATOM 683 CA ASP A 829 -9.926 -1.829 -2.351 1.00 0.00 C ATOM 684 C ASP A 829 -8.699 -1.766 -1.446 1.00 0.00 C ATOM 685 O ASP A 829 -7.594 -1.466 -1.899 1.00 0.00 O ATOM 686 CB ASP A 829 -10.037 -3.216 -2.984 1.00 0.00 C ATOM 687 CG ASP A 829 -11.476 -3.637 -3.208 1.00 0.00 C ATOM 688 OD1 ASP A 829 -12.312 -3.388 -2.315 1.00 0.00 O ATOM 689 OD2 ASP A 829 -11.766 -4.215 -4.277 1.00 0.00 O ATOM 0 H ASP A 829 -8.961 -0.326 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.813 -1.643 -1.745 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -9.508 -3.221 -3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -9.544 -3.946 -2.342 1.00 0.00 H new ATOM 694 N LEU A 830 -8.902 -2.050 -0.164 1.00 0.00 N ATOM 695 CA LEU A 830 -7.813 -2.025 0.807 1.00 0.00 C ATOM 696 C LEU A 830 -7.610 -3.401 1.433 1.00 0.00 C ATOM 697 O LEU A 830 -8.574 -4.098 1.749 1.00 0.00 O ATOM 698 CB LEU A 830 -8.099 -0.992 1.898 1.00 0.00 C ATOM 699 CG LEU A 830 -6.889 -0.504 2.695 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.198 0.820 3.377 1.00 0.00 C ATOM 701 CD2 LEU A 830 -6.468 -1.548 3.719 1.00 0.00 C ATOM 0 H LEU A 830 -9.810 -2.300 0.227 1.00 0.00 H new ATOM 0 HA LEU A 830 -6.899 -1.746 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -8.577 -0.128 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -8.819 -1.420 2.595 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.061 -0.349 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -6.325 1.152 3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -7.450 1.567 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.040 0.691 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -5.605 -1.183 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -7.292 -1.736 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.204 -2.474 3.208 1.00 0.00 H new ATOM 713 N ARG A 831 -6.350 -3.784 1.612 1.00 0.00 N ATOM 714 CA ARG A 831 -6.020 -5.076 2.202 1.00 0.00 C ATOM 715 C ARG A 831 -5.147 -4.901 3.441 1.00 0.00 C ATOM 716 O ARG A 831 -4.225 -4.084 3.453 1.00 0.00 O ATOM 717 CB ARG A 831 -5.303 -5.959 1.179 1.00 0.00 C ATOM 718 CG ARG A 831 -5.790 -5.760 -0.247 1.00 0.00 C ATOM 719 CD ARG A 831 -7.176 -6.353 -0.450 1.00 0.00 C ATOM 720 NE ARG A 831 -7.544 -6.414 -1.862 1.00 0.00 N ATOM 721 CZ ARG A 831 -8.736 -6.809 -2.294 1.00 0.00 C ATOM 722 NH1 ARG A 831 -9.670 -7.176 -1.428 1.00 0.00 N ATOM 723 NH2 ARG A 831 -8.996 -6.837 -3.595 1.00 0.00 N ATOM 0 H ARG A 831 -5.541 -3.218 1.357 1.00 0.00 H new ATOM 0 HA ARG A 831 -6.950 -5.560 2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -4.233 -5.753 1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -5.437 -7.004 1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -5.811 -4.695 -0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -5.089 -6.225 -0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -7.207 -7.356 -0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -7.909 -5.754 0.090 1.00 0.00 H new ATOM 0 HE ARG A 831 -6.847 -6.138 -2.554 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -9.474 -7.155 -0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -10.585 -7.479 -1.762 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -8.280 -6.555 -4.264 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -9.912 -7.141 -3.926 1.00 0.00 H new ATOM 737 N LEU A 832 -5.444 -5.672 4.481 1.00 0.00 N ATOM 738 CA LEU A 832 -4.687 -5.603 5.726 1.00 0.00 C ATOM 739 C LEU A 832 -4.054 -6.951 6.054 1.00 0.00 C ATOM 740 O LEU A 832 -4.747 -7.962 6.172 1.00 0.00 O ATOM 741 CB LEU A 832 -5.595 -5.160 6.874 1.00 0.00 C ATOM 742 CG LEU A 832 -6.431 -3.904 6.623 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.483 -3.738 7.708 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.537 -2.675 6.550 1.00 0.00 C ATOM 0 H LEU A 832 -6.204 -6.352 4.487 1.00 0.00 H new ATOM 0 HA LEU A 832 -3.890 -4.870 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -6.272 -5.981 7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -4.976 -4.990 7.755 1.00 0.00 H new ATOM 0 HG LEU A 832 -6.941 -4.014 5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -8.068 -2.839 7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -8.142 -4.606 7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -6.994 -3.649 8.678 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -6.148 -1.791 6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -4.999 -2.560 7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -4.822 -2.793 5.736 1.00 0.00 H new ATOM 756 N VAL A 833 -2.733 -6.959 6.201 1.00 0.00 N ATOM 757 CA VAL A 833 -2.006 -8.182 6.519 1.00 0.00 C ATOM 758 C VAL A 833 -2.153 -8.541 7.994 1.00 0.00 C ATOM 759 O VAL A 833 -1.679 -7.819 8.871 1.00 0.00 O ATOM 760 CB VAL A 833 -0.509 -8.050 6.182 1.00 0.00 C ATOM 761 CG1 VAL A 833 0.231 -9.333 6.524 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.324 -7.693 4.715 1.00 0.00 C ATOM 0 H VAL A 833 -2.144 -6.132 6.105 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.440 -8.975 5.909 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.088 -7.245 6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 833 1.287 -9.220 6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 833 0.126 -9.541 7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -0.189 -10.159 5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.740 -7.604 4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -0.760 -8.475 4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -0.819 -6.745 4.506 1.00 0.00 H new ATOM 772 N THR A 834 -2.814 -9.664 8.261 1.00 0.00 N ATOM 773 CA THR A 834 -3.025 -10.119 9.629 1.00 0.00 C ATOM 774 C THR A 834 -2.425 -11.504 9.846 1.00 0.00 C ATOM 775 O THR A 834 -1.970 -12.148 8.902 1.00 0.00 O ATOM 776 CB THR A 834 -4.524 -10.160 9.982 1.00 0.00 C ATOM 777 OG1 THR A 834 -5.205 -11.080 9.122 1.00 0.00 O ATOM 778 CG2 THR A 834 -5.149 -8.779 9.853 1.00 0.00 C ATOM 0 H THR A 834 -3.212 -10.274 7.547 1.00 0.00 H new ATOM 0 HA THR A 834 -2.525 -9.403 10.281 1.00 0.00 H new ATOM 0 HB THR A 834 -4.622 -10.490 11.016 1.00 0.00 H new ATOM 0 HG1 THR A 834 -6.164 -10.879 9.123 1.00 0.00 H new ATOM 0 HG21 THR A 834 -6.208 -8.833 10.107 1.00 0.00 H new ATOM 0 HG22 THR A 834 -4.648 -8.088 10.531 1.00 0.00 H new ATOM 0 HG23 THR A 834 -5.040 -8.425 8.828 1.00 0.00 H new ATOM 786 N ASN A 835 -2.429 -11.956 11.095 1.00 0.00 N ATOM 787 CA ASN A 835 -1.885 -13.266 11.436 1.00 0.00 C ATOM 788 C ASN A 835 -2.985 -14.323 11.457 1.00 0.00 C ATOM 789 O ASN A 835 -4.164 -14.010 11.293 1.00 0.00 O ATOM 790 CB ASN A 835 -1.187 -13.213 12.796 1.00 0.00 C ATOM 791 CG ASN A 835 -2.143 -13.458 13.947 1.00 0.00 C ATOM 792 OD1 ASN A 835 -3.359 -13.332 13.796 1.00 0.00 O ATOM 793 ND2 ASN A 835 -1.598 -13.810 15.106 1.00 0.00 N ATOM 0 H ASN A 835 -2.803 -11.435 11.888 1.00 0.00 H new ATOM 0 HA ASN A 835 -1.157 -13.540 10.672 1.00 0.00 H new ATOM 0 HB2 ASN A 835 -0.392 -13.958 12.823 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -0.714 -12.239 12.921 1.00 0.00 H new ATOM 0 HD21 ASN A 835 -2.192 -13.988 15.916 1.00 0.00 H new ATOM 0 HD22 ASN A 835 -0.585 -13.903 15.186 1.00 0.00 H new ATOM 800 N ARG A 836 -2.590 -15.576 11.660 1.00 0.00 N ATOM 801 CA ARG A 836 -3.541 -16.680 11.702 1.00 0.00 C ATOM 802 C ARG A 836 -4.810 -16.275 12.447 1.00 0.00 C ATOM 803 O ARG A 836 -5.920 -16.592 12.019 1.00 0.00 O ATOM 804 CB ARG A 836 -2.910 -17.900 12.374 1.00 0.00 C ATOM 805 CG ARG A 836 -3.730 -19.171 12.223 1.00 0.00 C ATOM 806 CD ARG A 836 -3.724 -19.671 10.787 1.00 0.00 C ATOM 807 NE ARG A 836 -4.794 -19.072 9.994 1.00 0.00 N ATOM 808 CZ ARG A 836 -6.085 -19.289 10.220 1.00 0.00 C ATOM 809 NH1 ARG A 836 -6.464 -20.085 11.211 1.00 0.00 N ATOM 810 NH2 ARG A 836 -7.000 -18.708 9.455 1.00 0.00 N ATOM 0 H ARG A 836 -1.618 -15.852 11.798 1.00 0.00 H new ATOM 0 HA ARG A 836 -3.807 -16.936 10.677 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -1.919 -18.065 11.951 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -2.773 -17.690 13.435 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -3.330 -19.943 12.880 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -4.756 -18.983 12.540 1.00 0.00 H new ATOM 0 HD2 ARG A 836 -2.762 -19.443 10.328 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -3.832 -20.756 10.780 1.00 0.00 H new ATOM 0 HE ARG A 836 -4.536 -18.454 9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 836 -5.763 -20.532 11.802 1.00 0.00 H new ATOM 0 HH12 ARG A 836 -7.456 -20.250 11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 836 -6.712 -18.094 8.693 1.00 0.00 H new ATOM 0 HH22 ARG A 836 -7.991 -18.875 9.629 1.00 0.00 H new ATOM 824 N ALA A 837 -4.637 -15.575 13.563 1.00 0.00 N ATOM 825 CA ALA A 837 -5.768 -15.126 14.366 1.00 0.00 C ATOM 826 C ALA A 837 -6.247 -13.749 13.920 1.00 0.00 C ATOM 827 O ALA A 837 -6.683 -12.938 14.735 1.00 0.00 O ATOM 828 CB ALA A 837 -5.392 -15.105 15.840 1.00 0.00 C ATOM 0 H ALA A 837 -3.725 -15.306 13.932 1.00 0.00 H new ATOM 0 HA ALA A 837 -6.587 -15.830 14.221 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -6.245 -14.768 16.428 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -5.106 -16.108 16.157 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -4.555 -14.424 15.992 1.00 0.00 H new ATOM 834 N GLY A 838 -6.161 -13.491 12.618 1.00 0.00 N ATOM 835 CA GLY A 838 -6.588 -12.210 12.086 1.00 0.00 C ATOM 836 C GLY A 838 -6.162 -11.048 12.961 1.00 0.00 C ATOM 837 O GLY A 838 -6.956 -10.149 13.242 1.00 0.00 O ATOM 0 H GLY A 838 -5.803 -14.146 11.923 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -6.174 -12.079 11.086 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -7.673 -12.206 11.985 1.00 0.00 H new ATOM 841 N LYS A 839 -4.907 -11.065 13.396 1.00 0.00 N ATOM 842 CA LYS A 839 -4.376 -10.005 14.246 1.00 0.00 C ATOM 843 C LYS A 839 -3.619 -8.972 13.418 1.00 0.00 C ATOM 844 O LYS A 839 -2.927 -9.300 12.454 1.00 0.00 O ATOM 845 CB LYS A 839 -3.452 -10.594 15.314 1.00 0.00 C ATOM 846 CG LYS A 839 -4.131 -11.619 16.207 1.00 0.00 C ATOM 847 CD LYS A 839 -4.956 -10.952 17.294 1.00 0.00 C ATOM 848 CE LYS A 839 -4.071 -10.355 18.378 1.00 0.00 C ATOM 849 NZ LYS A 839 -3.745 -11.349 19.438 1.00 0.00 N ATOM 0 H LYS A 839 -4.238 -11.802 13.174 1.00 0.00 H new ATOM 0 HA LYS A 839 -5.216 -9.510 14.734 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -2.596 -11.060 14.825 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -3.064 -9.785 15.933 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -4.773 -12.260 15.603 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -3.378 -12.261 16.663 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -5.574 -10.169 16.855 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -5.634 -11.681 17.737 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -3.148 -9.985 17.931 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -4.574 -9.498 18.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -3.141 -10.903 20.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -4.624 -11.683 19.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -3.243 -12.155 19.015 1.00 0.00 H new ATOM 863 N PRO A 840 -3.752 -7.693 13.800 1.00 0.00 N ATOM 864 CA PRO A 840 -3.086 -6.586 13.107 1.00 0.00 C ATOM 865 C PRO A 840 -1.576 -6.595 13.318 1.00 0.00 C ATOM 866 O PRO A 840 -1.095 -6.473 14.445 1.00 0.00 O ATOM 867 CB PRO A 840 -3.708 -5.342 13.747 1.00 0.00 C ATOM 868 CG PRO A 840 -4.152 -5.792 15.096 1.00 0.00 C ATOM 869 CD PRO A 840 -4.562 -7.230 14.940 1.00 0.00 C ATOM 0 HA PRO A 840 -3.222 -6.640 12.027 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -2.984 -4.530 13.819 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.546 -4.971 13.158 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -3.347 -5.693 15.825 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -4.984 -5.186 15.455 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -4.355 -7.807 15.841 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -5.629 -7.324 14.740 1.00 0.00 H new ATOM 877 N LYS A 841 -0.832 -6.740 12.227 1.00 0.00 N ATOM 878 CA LYS A 841 0.625 -6.764 12.291 1.00 0.00 C ATOM 879 C LYS A 841 1.212 -5.439 11.814 1.00 0.00 C ATOM 880 O LYS A 841 2.427 -5.246 11.827 1.00 0.00 O ATOM 881 CB LYS A 841 1.175 -7.912 11.442 1.00 0.00 C ATOM 882 CG LYS A 841 0.677 -9.280 11.875 1.00 0.00 C ATOM 883 CD LYS A 841 0.668 -10.263 10.715 1.00 0.00 C ATOM 884 CE LYS A 841 2.079 -10.575 10.239 1.00 0.00 C ATOM 885 NZ LYS A 841 2.169 -11.928 9.622 1.00 0.00 N ATOM 0 H LYS A 841 -1.214 -6.843 11.287 1.00 0.00 H new ATOM 0 HA LYS A 841 0.915 -6.918 13.330 1.00 0.00 H new ATOM 0 HB2 LYS A 841 0.899 -7.747 10.400 1.00 0.00 H new ATOM 0 HB3 LYS A 841 2.264 -7.899 11.490 1.00 0.00 H new ATOM 0 HG2 LYS A 841 1.312 -9.664 12.673 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -0.329 -9.189 12.284 1.00 0.00 H new ATOM 0 HD2 LYS A 841 0.174 -11.185 11.022 1.00 0.00 H new ATOM 0 HD3 LYS A 841 0.088 -9.849 9.890 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.392 -9.824 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 841 2.769 -10.513 11.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 3.146 -12.103 9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 1.894 -12.647 10.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 1.530 -11.979 8.803 1.00 0.00 H new ATOM 899 N GLY A 842 0.339 -4.527 11.394 1.00 0.00 N ATOM 900 CA GLY A 842 0.790 -3.232 10.921 1.00 0.00 C ATOM 901 C GLY A 842 0.878 -3.165 9.409 1.00 0.00 C ATOM 902 O GLY A 842 0.484 -2.170 8.800 1.00 0.00 O ATOM 0 H GLY A 842 -0.672 -4.663 11.373 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.107 -2.461 11.277 1.00 0.00 H new ATOM 0 HA3 GLY A 842 1.768 -3.013 11.349 1.00 0.00 H new ATOM 906 N LEU A 843 1.396 -4.227 8.801 1.00 0.00 N ATOM 907 CA LEU A 843 1.536 -4.285 7.350 1.00 0.00 C ATOM 908 C LEU A 843 0.170 -4.324 6.672 1.00 0.00 C ATOM 909 O LEU A 843 -0.705 -5.096 7.062 1.00 0.00 O ATOM 910 CB LEU A 843 2.354 -5.512 6.945 1.00 0.00 C ATOM 911 CG LEU A 843 3.598 -5.797 7.788 1.00 0.00 C ATOM 912 CD1 LEU A 843 4.252 -7.099 7.351 1.00 0.00 C ATOM 913 CD2 LEU A 843 4.585 -4.643 7.688 1.00 0.00 C ATOM 0 H LEU A 843 1.726 -5.059 9.290 1.00 0.00 H new ATOM 0 HA LEU A 843 2.057 -3.385 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.704 -6.386 6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 843 2.663 -5.391 5.907 1.00 0.00 H new ATOM 0 HG LEU A 843 3.293 -5.899 8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 843 5.135 -7.285 7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 843 3.546 -7.920 7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 843 4.544 -7.026 6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 843 5.464 -4.863 8.294 1.00 0.00 H new ATOM 0 HD22 LEU A 843 4.885 -4.510 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 843 4.114 -3.729 8.050 1.00 0.00 H new ATOM 925 N ALA A 844 -0.004 -3.488 5.654 1.00 0.00 N ATOM 926 CA ALA A 844 -1.262 -3.430 4.920 1.00 0.00 C ATOM 927 C ALA A 844 -1.048 -2.902 3.505 1.00 0.00 C ATOM 928 O ALA A 844 -0.189 -2.050 3.274 1.00 0.00 O ATOM 929 CB ALA A 844 -2.268 -2.563 5.662 1.00 0.00 C ATOM 0 H ALA A 844 0.710 -2.842 5.319 1.00 0.00 H new ATOM 0 HA ALA A 844 -1.657 -4.443 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -3.202 -2.529 5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -2.452 -2.984 6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -1.871 -1.553 5.766 1.00 0.00 H new ATOM 935 N TYR A 845 -1.833 -3.412 2.563 1.00 0.00 N ATOM 936 CA TYR A 845 -1.727 -2.993 1.170 1.00 0.00 C ATOM 937 C TYR A 845 -2.930 -2.148 0.762 1.00 0.00 C ATOM 938 O TYR A 845 -4.004 -2.248 1.356 1.00 0.00 O ATOM 939 CB TYR A 845 -1.613 -4.214 0.256 1.00 0.00 C ATOM 940 CG TYR A 845 -0.241 -4.849 0.261 1.00 0.00 C ATOM 941 CD1 TYR A 845 0.187 -5.619 1.335 1.00 0.00 C ATOM 942 CD2 TYR A 845 0.628 -4.679 -0.810 1.00 0.00 C ATOM 943 CE1 TYR A 845 1.440 -6.200 1.344 1.00 0.00 C ATOM 944 CE2 TYR A 845 1.883 -5.258 -0.811 1.00 0.00 C ATOM 945 CZ TYR A 845 2.284 -6.016 0.268 1.00 0.00 C ATOM 946 OH TYR A 845 3.533 -6.594 0.272 1.00 0.00 O ATOM 0 H TYR A 845 -2.550 -4.116 2.738 1.00 0.00 H new ATOM 0 HA TYR A 845 -0.828 -2.385 1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -2.349 -4.957 0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -1.864 -3.919 -0.763 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -0.472 -5.766 2.178 1.00 0.00 H new ATOM 0 HD2 TYR A 845 0.317 -4.084 -1.656 1.00 0.00 H new ATOM 0 HE1 TYR A 845 1.757 -6.795 2.188 1.00 0.00 H new ATOM 0 HE2 TYR A 845 2.545 -5.117 -1.652 1.00 0.00 H new ATOM 0 HH TYR A 845 4.001 -6.368 -0.559 1.00 0.00 H new ATOM 956 N VAL A 846 -2.741 -1.316 -0.257 1.00 0.00 N ATOM 957 CA VAL A 846 -3.810 -0.454 -0.747 1.00 0.00 C ATOM 958 C VAL A 846 -3.946 -0.555 -2.262 1.00 0.00 C ATOM 959 O VAL A 846 -2.953 -0.692 -2.976 1.00 0.00 O ATOM 960 CB VAL A 846 -3.566 1.017 -0.361 1.00 0.00 C ATOM 961 CG1 VAL A 846 -4.706 1.895 -0.856 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.394 1.151 1.144 1.00 0.00 C ATOM 0 H VAL A 846 -1.858 -1.221 -0.759 1.00 0.00 H new ATOM 0 HA VAL A 846 -4.733 -0.796 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 846 -2.646 1.353 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.516 2.931 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -4.777 1.821 -1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -5.642 1.563 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.222 2.197 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.295 0.798 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -2.541 0.554 1.467 1.00 0.00 H new ATOM 972 N GLU A 847 -5.182 -0.486 -2.746 1.00 0.00 N ATOM 973 CA GLU A 847 -5.448 -0.570 -4.177 1.00 0.00 C ATOM 974 C GLU A 847 -6.263 0.630 -4.651 1.00 0.00 C ATOM 975 O GLU A 847 -7.462 0.723 -4.387 1.00 0.00 O ATOM 976 CB GLU A 847 -6.190 -1.867 -4.506 1.00 0.00 C ATOM 977 CG GLU A 847 -5.933 -2.376 -5.914 1.00 0.00 C ATOM 978 CD GLU A 847 -6.846 -3.525 -6.295 1.00 0.00 C ATOM 979 OE1 GLU A 847 -7.211 -4.315 -5.399 1.00 0.00 O ATOM 980 OE2 GLU A 847 -7.196 -3.635 -7.489 1.00 0.00 O ATOM 0 H GLU A 847 -6.015 -0.372 -2.168 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.491 -0.566 -4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -5.895 -2.636 -3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -7.260 -1.706 -4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -6.069 -1.559 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -4.895 -2.699 -5.996 1.00 0.00 H new ATOM 987 N TYR A 848 -5.604 1.546 -5.352 1.00 0.00 N ATOM 988 CA TYR A 848 -6.266 2.742 -5.860 1.00 0.00 C ATOM 989 C TYR A 848 -6.850 2.493 -7.247 1.00 0.00 C ATOM 990 O TYR A 848 -6.712 1.404 -7.804 1.00 0.00 O ATOM 991 CB TYR A 848 -5.281 3.911 -5.912 1.00 0.00 C ATOM 992 CG TYR A 848 -5.150 4.650 -4.599 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.461 4.089 -3.530 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.714 5.908 -4.427 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.338 4.760 -2.329 1.00 0.00 C ATOM 996 CE2 TYR A 848 -5.595 6.586 -3.229 1.00 0.00 C ATOM 997 CZ TYR A 848 -4.906 6.008 -2.183 1.00 0.00 C ATOM 998 OH TYR A 848 -4.787 6.680 -0.988 1.00 0.00 O ATOM 0 H TYR A 848 -4.612 1.483 -5.581 1.00 0.00 H new ATOM 0 HA TYR A 848 -7.082 2.992 -5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -4.301 3.537 -6.208 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.601 4.611 -6.683 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -4.014 3.112 -3.640 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -6.255 6.364 -5.243 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -3.800 4.309 -1.508 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -6.039 7.563 -3.112 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.270 7.531 -1.042 1.00 0.00 H new ATOM 1008 N GLU A 849 -7.503 3.511 -7.798 1.00 0.00 N ATOM 1009 CA GLU A 849 -8.110 3.403 -9.120 1.00 0.00 C ATOM 1010 C GLU A 849 -7.043 3.427 -10.211 1.00 0.00 C ATOM 1011 O GLU A 849 -7.032 2.577 -11.101 1.00 0.00 O ATOM 1012 CB GLU A 849 -9.107 4.542 -9.342 1.00 0.00 C ATOM 1013 CG GLU A 849 -10.096 4.274 -10.464 1.00 0.00 C ATOM 1014 CD GLU A 849 -11.207 5.305 -10.522 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -11.933 5.451 -9.516 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -11.350 5.966 -11.572 1.00 0.00 O ATOM 0 H GLU A 849 -7.625 4.419 -7.350 1.00 0.00 H new ATOM 0 HA GLU A 849 -8.639 2.451 -9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.658 4.717 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.557 5.457 -9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -9.565 4.263 -11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -10.531 3.284 -10.331 1.00 0.00 H new ATOM 1023 N ASN A 850 -6.149 4.407 -10.135 1.00 0.00 N ATOM 1024 CA ASN A 850 -5.079 4.543 -11.117 1.00 0.00 C ATOM 1025 C ASN A 850 -3.716 4.599 -10.432 1.00 0.00 C ATOM 1026 O ASN A 850 -3.617 4.452 -9.214 1.00 0.00 O ATOM 1027 CB ASN A 850 -5.290 5.801 -11.961 1.00 0.00 C ATOM 1028 CG ASN A 850 -6.253 5.571 -13.110 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -6.497 4.434 -13.512 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -6.805 6.655 -13.644 1.00 0.00 N ATOM 0 H ASN A 850 -6.144 5.118 -9.404 1.00 0.00 H new ATOM 0 HA ASN A 850 -5.103 3.669 -11.768 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -5.670 6.602 -11.326 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -4.331 6.136 -12.356 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -7.461 6.564 -14.420 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -6.573 7.578 -13.278 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.670 4.813 -11.224 1.00 0.00 N ATOM 1038 CA GLU A 851 -1.314 4.888 -10.693 1.00 0.00 C ATOM 1039 C GLU A 851 -1.051 6.254 -10.064 1.00 0.00 C ATOM 1040 O GLU A 851 -0.474 6.349 -8.981 1.00 0.00 O ATOM 1041 CB GLU A 851 -0.294 4.620 -11.801 1.00 0.00 C ATOM 1042 CG GLU A 851 1.055 4.148 -11.285 1.00 0.00 C ATOM 1043 CD GLU A 851 1.919 3.544 -12.375 1.00 0.00 C ATOM 1044 OE1 GLU A 851 1.678 2.376 -12.745 1.00 0.00 O ATOM 1045 OE2 GLU A 851 2.836 4.241 -12.859 1.00 0.00 O ATOM 0 H GLU A 851 -2.735 4.937 -12.234 1.00 0.00 H new ATOM 0 HA GLU A 851 -1.210 4.126 -9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 851 -0.697 3.869 -12.480 1.00 0.00 H new ATOM 0 HB3 GLU A 851 -0.153 5.532 -12.382 1.00 0.00 H new ATOM 0 HG2 GLU A 851 1.581 4.989 -10.834 1.00 0.00 H new ATOM 0 HG3 GLU A 851 0.901 3.410 -10.498 1.00 0.00 H new ATOM 1052 N SER A 852 -1.478 7.308 -10.753 1.00 0.00 N ATOM 1053 CA SER A 852 -1.285 8.668 -10.265 1.00 0.00 C ATOM 1054 C SER A 852 -1.607 8.763 -8.777 1.00 0.00 C ATOM 1055 O SER A 852 -0.730 9.038 -7.958 1.00 0.00 O ATOM 1056 CB SER A 852 -2.163 9.644 -11.051 1.00 0.00 C ATOM 1057 OG SER A 852 -1.835 10.987 -10.743 1.00 0.00 O ATOM 0 H SER A 852 -1.959 7.246 -11.650 1.00 0.00 H new ATOM 0 HA SER A 852 -0.238 8.934 -10.410 1.00 0.00 H new ATOM 0 HB2 SER A 852 -2.037 9.472 -12.120 1.00 0.00 H new ATOM 0 HB3 SER A 852 -3.212 9.461 -10.820 1.00 0.00 H new ATOM 0 HG SER A 852 -2.409 11.591 -11.259 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.870 8.532 -8.435 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.309 8.592 -7.046 1.00 0.00 C ATOM 1065 C GLN A 853 -2.317 7.881 -6.131 1.00 0.00 C ATOM 1066 O GLN A 853 -1.811 8.466 -5.174 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.696 7.964 -6.900 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.774 8.676 -7.701 1.00 0.00 C ATOM 1069 CD GLN A 853 -5.943 8.099 -9.093 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -5.113 8.322 -9.975 1.00 0.00 O ATOM 1071 NE2 GLN A 853 -7.022 7.353 -9.297 1.00 0.00 N ATOM 0 H GLN A 853 -3.608 8.302 -9.101 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.360 9.640 -6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.649 6.922 -7.216 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -4.977 7.965 -5.847 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -6.722 8.610 -7.167 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.525 9.734 -7.778 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -7.684 7.194 -8.537 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -7.189 6.938 -10.214 1.00 0.00 H new ATOM 1080 N ALA A 854 -2.044 6.615 -6.432 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.112 5.825 -5.637 1.00 0.00 C ATOM 1082 C ALA A 854 0.142 6.626 -5.306 1.00 0.00 C ATOM 1083 O ALA A 854 0.520 6.753 -4.141 1.00 0.00 O ATOM 1084 CB ALA A 854 -0.744 4.546 -6.374 1.00 0.00 C ATOM 0 H ALA A 854 -2.455 6.115 -7.220 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.602 5.563 -4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.047 3.965 -5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -1.644 3.959 -6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.276 4.796 -7.326 1.00 0.00 H new ATOM 1090 N SER A 855 0.785 7.165 -6.337 1.00 0.00 N ATOM 1091 CA SER A 855 2.000 7.951 -6.155 1.00 0.00 C ATOM 1092 C SER A 855 1.786 9.049 -5.118 1.00 0.00 C ATOM 1093 O SER A 855 2.444 9.071 -4.078 1.00 0.00 O ATOM 1094 CB SER A 855 2.438 8.567 -7.484 1.00 0.00 C ATOM 1095 OG SER A 855 3.780 9.019 -7.419 1.00 0.00 O ATOM 0 H SER A 855 0.485 7.072 -7.307 1.00 0.00 H new ATOM 0 HA SER A 855 2.784 7.284 -5.796 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.337 7.830 -8.281 1.00 0.00 H new ATOM 0 HB3 SER A 855 1.782 9.400 -7.736 1.00 0.00 H new ATOM 0 HG SER A 855 4.037 9.407 -8.282 1.00 0.00 H new ATOM 1101 N GLN A 856 0.862 9.958 -5.410 1.00 0.00 N ATOM 1102 CA GLN A 856 0.561 11.060 -4.503 1.00 0.00 C ATOM 1103 C GLN A 856 0.379 10.556 -3.076 1.00 0.00 C ATOM 1104 O GLN A 856 1.069 10.999 -2.158 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.698 11.797 -4.962 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.780 13.231 -4.464 1.00 0.00 C ATOM 1107 CD GLN A 856 -1.544 14.135 -5.411 1.00 0.00 C ATOM 1108 OE1 GLN A 856 -1.191 14.265 -6.583 1.00 0.00 O ATOM 1109 NE2 GLN A 856 -2.598 14.766 -4.906 1.00 0.00 N ATOM 0 H GLN A 856 0.309 9.954 -6.267 1.00 0.00 H new ATOM 0 HA GLN A 856 1.403 11.751 -4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.732 11.797 -6.051 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.575 11.250 -4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 856 -1.262 13.245 -3.486 1.00 0.00 H new ATOM 0 HG3 GLN A 856 0.228 13.623 -4.328 1.00 0.00 H new ATOM 0 HE21 GLN A 856 -2.855 14.629 -3.928 1.00 0.00 H new ATOM 0 HE22 GLN A 856 -3.151 15.388 -5.496 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.555 9.628 -2.896 1.00 0.00 N ATOM 1119 CA ALA A 857 -0.827 9.063 -1.580 1.00 0.00 C ATOM 1120 C ALA A 857 0.452 8.548 -0.929 1.00 0.00 C ATOM 1121 O ALA A 857 0.602 8.599 0.292 1.00 0.00 O ATOM 1122 CB ALA A 857 -1.854 7.946 -1.688 1.00 0.00 C ATOM 0 H ALA A 857 -1.136 9.251 -3.645 1.00 0.00 H new ATOM 0 HA ALA A 857 -1.232 9.854 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -2.048 7.533 -0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.780 8.342 -2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.471 7.161 -2.340 1.00 0.00 H new ATOM 1128 N VAL A 858 1.371 8.052 -1.751 1.00 0.00 N ATOM 1129 CA VAL A 858 2.637 7.528 -1.254 1.00 0.00 C ATOM 1130 C VAL A 858 3.551 8.653 -0.782 1.00 0.00 C ATOM 1131 O VAL A 858 4.153 8.569 0.288 1.00 0.00 O ATOM 1132 CB VAL A 858 3.368 6.708 -2.335 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.754 6.307 -1.855 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.551 5.483 -2.717 1.00 0.00 C ATOM 0 H VAL A 858 1.262 8.002 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 858 2.401 6.878 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 858 3.484 7.330 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 858 5.255 5.729 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.336 7.202 -1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.666 5.702 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 858 3.082 4.915 -3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 858 2.402 4.856 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.583 5.798 -3.106 1.00 0.00 H new ATOM 1144 N MET A 859 3.647 9.707 -1.586 1.00 0.00 N ATOM 1145 CA MET A 859 4.486 10.851 -1.249 1.00 0.00 C ATOM 1146 C MET A 859 4.028 11.495 0.055 1.00 0.00 C ATOM 1147 O MET A 859 4.829 12.077 0.787 1.00 0.00 O ATOM 1148 CB MET A 859 4.457 11.882 -2.379 1.00 0.00 C ATOM 1149 CG MET A 859 5.523 11.653 -3.438 1.00 0.00 C ATOM 1150 SD MET A 859 5.185 12.546 -4.968 1.00 0.00 S ATOM 1151 CE MET A 859 5.154 14.235 -4.374 1.00 0.00 C ATOM 0 H MET A 859 3.154 9.792 -2.475 1.00 0.00 H new ATOM 0 HA MET A 859 5.508 10.495 -1.118 1.00 0.00 H new ATOM 0 HB2 MET A 859 3.476 11.862 -2.853 1.00 0.00 H new ATOM 0 HB3 MET A 859 4.586 12.878 -1.955 1.00 0.00 H new ATOM 0 HG2 MET A 859 6.491 11.964 -3.046 1.00 0.00 H new ATOM 0 HG3 MET A 859 5.594 10.587 -3.652 1.00 0.00 H new ATOM 0 HE1 MET A 859 5.115 14.918 -5.222 1.00 0.00 H new ATOM 0 HE2 MET A 859 4.275 14.384 -3.747 1.00 0.00 H new ATOM 0 HE3 MET A 859 6.053 14.432 -3.790 1.00 0.00 H new ATOM 1161 N LYS A 860 2.735 11.388 0.340 1.00 0.00 N ATOM 1162 CA LYS A 860 2.169 11.959 1.557 1.00 0.00 C ATOM 1163 C LYS A 860 2.250 10.967 2.713 1.00 0.00 C ATOM 1164 O LYS A 860 2.809 11.271 3.766 1.00 0.00 O ATOM 1165 CB LYS A 860 0.713 12.369 1.324 1.00 0.00 C ATOM 1166 CG LYS A 860 0.559 13.569 0.406 1.00 0.00 C ATOM 1167 CD LYS A 860 1.010 14.852 1.085 1.00 0.00 C ATOM 1168 CE LYS A 860 -0.126 15.504 1.858 1.00 0.00 C ATOM 1169 NZ LYS A 860 -1.254 15.890 0.965 1.00 0.00 N ATOM 0 H LYS A 860 2.058 10.911 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 860 2.751 12.843 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.170 11.525 0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.250 12.595 2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.143 13.412 -0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.483 13.664 0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 860 1.835 14.635 1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 860 1.388 15.548 0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -0.487 14.816 2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 860 0.247 16.388 2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -1.778 16.681 1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -0.880 16.181 0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -1.892 15.078 0.841 1.00 0.00 H new ATOM 1183 N MET A 861 1.690 9.779 2.507 1.00 0.00 N ATOM 1184 CA MET A 861 1.702 8.742 3.532 1.00 0.00 C ATOM 1185 C MET A 861 3.132 8.387 3.929 1.00 0.00 C ATOM 1186 O MET A 861 3.450 8.286 5.114 1.00 0.00 O ATOM 1187 CB MET A 861 0.974 7.493 3.032 1.00 0.00 C ATOM 1188 CG MET A 861 -0.481 7.741 2.671 1.00 0.00 C ATOM 1189 SD MET A 861 -1.590 7.539 4.078 1.00 0.00 S ATOM 1190 CE MET A 861 -3.107 7.068 3.249 1.00 0.00 C ATOM 0 H MET A 861 1.223 9.511 1.641 1.00 0.00 H new ATOM 0 HA MET A 861 1.185 9.128 4.411 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.496 7.104 2.157 1.00 0.00 H new ATOM 0 HB3 MET A 861 1.023 6.722 3.801 1.00 0.00 H new ATOM 0 HG2 MET A 861 -0.586 8.750 2.273 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.777 7.054 1.879 1.00 0.00 H new ATOM 0 HE1 MET A 861 -3.741 6.510 3.939 1.00 0.00 H new ATOM 0 HE2 MET A 861 -3.633 7.963 2.916 1.00 0.00 H new ATOM 0 HE3 MET A 861 -2.872 6.444 2.387 1.00 0.00 H new ATOM 1200 N ASP A 862 3.989 8.198 2.932 1.00 0.00 N ATOM 1201 CA ASP A 862 5.384 7.854 3.178 1.00 0.00 C ATOM 1202 C ASP A 862 5.959 8.697 4.312 1.00 0.00 C ATOM 1203 O ASP A 862 6.127 9.908 4.176 1.00 0.00 O ATOM 1204 CB ASP A 862 6.212 8.054 1.907 1.00 0.00 C ATOM 1205 CG ASP A 862 7.704 8.029 2.178 1.00 0.00 C ATOM 1206 OD1 ASP A 862 8.193 7.011 2.712 1.00 0.00 O ATOM 1207 OD2 ASP A 862 8.382 9.026 1.856 1.00 0.00 O ATOM 0 H ASP A 862 3.742 8.277 1.946 1.00 0.00 H new ATOM 0 HA ASP A 862 5.428 6.805 3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 862 5.963 7.273 1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 862 5.945 9.006 1.449 1.00 0.00 H new ATOM 1212 N GLY A 863 6.259 8.047 5.433 1.00 0.00 N ATOM 1213 CA GLY A 863 6.810 8.752 6.575 1.00 0.00 C ATOM 1214 C GLY A 863 5.836 9.752 7.165 1.00 0.00 C ATOM 1215 O GLY A 863 6.184 10.911 7.387 1.00 0.00 O ATOM 0 H GLY A 863 6.130 7.045 5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 863 7.093 8.030 7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.720 9.271 6.273 1.00 0.00 H new ATOM 1219 N MET A 864 4.611 9.303 7.419 1.00 0.00 N ATOM 1220 CA MET A 864 3.583 10.167 7.986 1.00 0.00 C ATOM 1221 C MET A 864 3.258 9.757 9.419 1.00 0.00 C ATOM 1222 O MET A 864 3.470 8.609 9.811 1.00 0.00 O ATOM 1223 CB MET A 864 2.316 10.119 7.130 1.00 0.00 C ATOM 1224 CG MET A 864 1.439 8.910 7.409 1.00 0.00 C ATOM 1225 SD MET A 864 -0.197 9.051 6.665 1.00 0.00 S ATOM 1226 CE MET A 864 -0.966 10.241 7.762 1.00 0.00 C ATOM 0 H MET A 864 4.307 8.346 7.241 1.00 0.00 H new ATOM 0 HA MET A 864 3.967 11.187 7.996 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.736 11.026 7.303 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.599 10.117 6.077 1.00 0.00 H new ATOM 0 HG2 MET A 864 1.930 8.014 7.029 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.334 8.783 8.487 1.00 0.00 H new ATOM 0 HE1 MET A 864 -1.965 9.897 8.029 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.364 10.345 8.665 1.00 0.00 H new ATOM 0 HE3 MET A 864 -1.037 11.206 7.260 1.00 0.00 H new ATOM 1236 N THR A 865 2.742 10.703 10.198 1.00 0.00 N ATOM 1237 CA THR A 865 2.389 10.441 11.588 1.00 0.00 C ATOM 1238 C THR A 865 0.912 10.088 11.723 1.00 0.00 C ATOM 1239 O THR A 865 0.047 10.795 11.206 1.00 0.00 O ATOM 1240 CB THR A 865 2.700 11.653 12.485 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.957 12.229 12.112 1.00 0.00 O ATOM 1242 CG2 THR A 865 2.738 11.247 13.950 1.00 0.00 C ATOM 0 H THR A 865 2.559 11.658 9.890 1.00 0.00 H new ATOM 0 HA THR A 865 2.993 9.594 11.913 1.00 0.00 H new ATOM 0 HB THR A 865 1.908 12.390 12.349 1.00 0.00 H new ATOM 0 HG1 THR A 865 4.147 13.000 12.686 1.00 0.00 H new ATOM 0 HG21 THR A 865 2.959 12.120 14.564 1.00 0.00 H new ATOM 0 HG22 THR A 865 1.771 10.836 14.239 1.00 0.00 H new ATOM 0 HG23 THR A 865 3.511 10.493 14.099 1.00 0.00 H new ATOM 1250 N ILE A 866 0.632 8.993 12.421 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.741 8.549 12.625 1.00 0.00 C ATOM 1252 C ILE A 866 -0.968 8.107 14.067 1.00 0.00 C ATOM 1253 O ILE A 866 -0.429 7.091 14.508 1.00 0.00 O ATOM 1254 CB ILE A 866 -1.104 7.388 11.681 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -1.125 7.870 10.229 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.450 6.792 12.066 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -1.208 6.746 9.220 1.00 0.00 C ATOM 0 H ILE A 866 1.337 8.397 12.855 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.384 9.401 12.403 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.345 6.612 11.776 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -1.976 8.537 10.088 1.00 0.00 H new ATOM 0 HG13 ILE A 866 -0.226 8.455 10.036 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.692 5.973 11.389 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -2.403 6.416 13.088 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -3.221 7.559 11.997 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -1.219 7.162 8.212 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.344 6.091 9.333 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -2.121 6.174 9.386 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.769 8.875 14.797 1.00 0.00 N ATOM 1270 CA LYS A 867 -2.071 8.562 16.188 1.00 0.00 C ATOM 1271 C LYS A 867 -0.789 8.368 16.992 1.00 0.00 C ATOM 1272 O LYS A 867 -0.702 7.470 17.830 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.935 7.301 16.274 1.00 0.00 C ATOM 1274 CG LYS A 867 -4.370 7.516 15.826 1.00 0.00 C ATOM 1275 CD LYS A 867 -5.299 6.465 16.409 1.00 0.00 C ATOM 1276 CE LYS A 867 -6.635 6.436 15.681 1.00 0.00 C ATOM 1277 NZ LYS A 867 -7.595 7.425 16.245 1.00 0.00 N ATOM 0 H LYS A 867 -2.221 9.720 14.448 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.622 9.402 16.612 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -2.485 6.520 15.661 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -2.934 6.940 17.302 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -4.703 8.508 16.132 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -4.421 7.485 14.738 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -4.827 5.485 16.344 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -5.464 6.670 17.467 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -6.477 6.646 14.623 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -7.063 5.436 15.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -8.493 7.374 15.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -7.766 7.210 17.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -7.198 8.382 16.159 1.00 0.00 H new ATOM 1291 N GLU A 868 0.201 9.216 16.733 1.00 0.00 N ATOM 1292 CA GLU A 868 1.477 9.136 17.434 1.00 0.00 C ATOM 1293 C GLU A 868 2.276 7.920 16.974 1.00 0.00 C ATOM 1294 O GLU A 868 2.809 7.170 17.790 1.00 0.00 O ATOM 1295 CB GLU A 868 1.251 9.070 18.946 1.00 0.00 C ATOM 1296 CG GLU A 868 2.497 9.367 19.762 1.00 0.00 C ATOM 1297 CD GLU A 868 2.733 10.854 19.945 1.00 0.00 C ATOM 1298 OE1 GLU A 868 2.373 11.630 19.036 1.00 0.00 O ATOM 1299 OE2 GLU A 868 3.278 11.242 21.000 1.00 0.00 O ATOM 0 H GLU A 868 0.144 9.966 16.044 1.00 0.00 H new ATOM 0 HA GLU A 868 2.048 10.034 17.199 1.00 0.00 H new ATOM 0 HB2 GLU A 868 0.470 9.780 19.219 1.00 0.00 H new ATOM 0 HB3 GLU A 868 0.884 8.077 19.207 1.00 0.00 H new ATOM 0 HG2 GLU A 868 2.408 8.894 20.740 1.00 0.00 H new ATOM 0 HG3 GLU A 868 3.363 8.923 19.271 1.00 0.00 H new ATOM 1306 N ASN A 869 2.353 7.733 15.661 1.00 0.00 N ATOM 1307 CA ASN A 869 3.086 6.607 15.091 1.00 0.00 C ATOM 1308 C ASN A 869 3.513 6.906 13.657 1.00 0.00 C ATOM 1309 O ASN A 869 2.675 7.059 12.768 1.00 0.00 O ATOM 1310 CB ASN A 869 2.225 5.342 15.125 1.00 0.00 C ATOM 1311 CG ASN A 869 3.046 4.080 14.948 1.00 0.00 C ATOM 1312 OD1 ASN A 869 3.619 3.843 13.884 1.00 0.00 O ATOM 1313 ND2 ASN A 869 3.107 3.262 15.992 1.00 0.00 N ATOM 0 H ASN A 869 1.918 8.346 14.971 1.00 0.00 H new ATOM 0 HA ASN A 869 3.981 6.446 15.692 1.00 0.00 H new ATOM 0 HB2 ASN A 869 1.691 5.295 16.074 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.473 5.396 14.338 1.00 0.00 H new ATOM 0 HD21 ASN A 869 3.645 2.397 15.932 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.616 3.498 16.854 1.00 0.00 H new ATOM 1320 N ILE A 870 4.822 6.987 13.441 1.00 0.00 N ATOM 1321 CA ILE A 870 5.360 7.266 12.115 1.00 0.00 C ATOM 1322 C ILE A 870 5.297 6.029 11.225 1.00 0.00 C ATOM 1323 O ILE A 870 6.082 5.094 11.388 1.00 0.00 O ATOM 1324 CB ILE A 870 6.818 7.755 12.192 1.00 0.00 C ATOM 1325 CG1 ILE A 870 6.862 9.237 12.573 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.525 7.523 10.865 1.00 0.00 C ATOM 1327 CD1 ILE A 870 6.745 10.169 11.388 1.00 0.00 C ATOM 0 H ILE A 870 5.529 6.864 14.166 1.00 0.00 H new ATOM 0 HA ILE A 870 4.743 8.054 11.683 1.00 0.00 H new ATOM 0 HB ILE A 870 7.337 7.185 12.963 1.00 0.00 H new ATOM 0 HG12 ILE A 870 6.053 9.448 13.272 1.00 0.00 H new ATOM 0 HG13 ILE A 870 7.796 9.442 13.095 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.555 7.874 10.935 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.519 6.458 10.631 1.00 0.00 H new ATOM 0 HG23 ILE A 870 7.008 8.070 10.077 1.00 0.00 H new ATOM 0 HD11 ILE A 870 6.784 11.202 11.733 1.00 0.00 H new ATOM 0 HD12 ILE A 870 7.569 9.985 10.698 1.00 0.00 H new ATOM 0 HD13 ILE A 870 5.798 9.992 10.878 1.00 0.00 H new ATOM 1339 N ILE A 871 4.359 6.032 10.284 1.00 0.00 N ATOM 1340 CA ILE A 871 4.196 4.911 9.366 1.00 0.00 C ATOM 1341 C ILE A 871 4.940 5.159 8.058 1.00 0.00 C ATOM 1342 O ILE A 871 5.017 6.291 7.579 1.00 0.00 O ATOM 1343 CB ILE A 871 2.710 4.649 9.057 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.188 5.675 8.049 1.00 0.00 C ATOM 1345 CG2 ILE A 871 1.888 4.688 10.336 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.596 5.383 6.622 1.00 0.00 C ATOM 0 H ILE A 871 3.701 6.797 10.137 1.00 0.00 H new ATOM 0 HA ILE A 871 4.616 4.035 9.859 1.00 0.00 H new ATOM 0 HB ILE A 871 2.615 3.656 8.618 1.00 0.00 H new ATOM 0 HG12 ILE A 871 1.100 5.709 8.107 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.553 6.664 8.327 1.00 0.00 H new ATOM 0 HG21 ILE A 871 0.840 4.501 10.101 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.248 3.922 11.023 1.00 0.00 H new ATOM 0 HG23 ILE A 871 1.986 5.669 10.802 1.00 0.00 H new ATOM 0 HD11 ILE A 871 2.191 6.151 5.963 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.683 5.379 6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 871 2.208 4.409 6.325 1.00 0.00 H new ATOM 1358 N LYS A 872 5.486 4.093 7.483 1.00 0.00 N ATOM 1359 CA LYS A 872 6.221 4.192 6.228 1.00 0.00 C ATOM 1360 C LYS A 872 5.408 3.616 5.074 1.00 0.00 C ATOM 1361 O LYS A 872 4.628 2.682 5.256 1.00 0.00 O ATOM 1362 CB LYS A 872 7.560 3.459 6.339 1.00 0.00 C ATOM 1363 CG LYS A 872 8.335 3.408 5.033 1.00 0.00 C ATOM 1364 CD LYS A 872 9.493 2.427 5.111 1.00 0.00 C ATOM 1365 CE LYS A 872 10.627 2.970 5.968 1.00 0.00 C ATOM 1366 NZ LYS A 872 11.637 1.922 6.280 1.00 0.00 N ATOM 0 H LYS A 872 5.433 3.149 7.867 1.00 0.00 H new ATOM 0 HA LYS A 872 6.407 5.247 6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 872 8.172 3.950 7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.380 2.441 6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 872 7.666 3.119 4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 872 8.714 4.402 4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 872 9.143 1.482 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 872 9.862 2.218 4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 872 11.111 3.797 5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 872 10.221 3.371 6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 12.393 2.332 6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 11.181 1.144 6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 12.044 1.557 5.395 1.00 0.00 H new ATOM 1380 N VAL A 873 5.597 4.178 3.884 1.00 0.00 N ATOM 1381 CA VAL A 873 4.883 3.718 2.699 1.00 0.00 C ATOM 1382 C VAL A 873 5.827 3.572 1.511 1.00 0.00 C ATOM 1383 O VAL A 873 6.806 4.307 1.389 1.00 0.00 O ATOM 1384 CB VAL A 873 3.744 4.684 2.320 1.00 0.00 C ATOM 1385 CG1 VAL A 873 3.015 4.189 1.080 1.00 0.00 C ATOM 1386 CG2 VAL A 873 2.780 4.853 3.484 1.00 0.00 C ATOM 0 H VAL A 873 6.239 4.953 3.715 1.00 0.00 H new ATOM 0 HA VAL A 873 4.458 2.745 2.943 1.00 0.00 H new ATOM 0 HB VAL A 873 4.177 5.658 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 873 2.214 4.884 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 873 3.716 4.125 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.592 3.204 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 873 1.982 5.538 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.351 3.885 3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.315 5.257 4.344 1.00 0.00 H new ATOM 1396 N ALA A 874 5.525 2.618 0.636 1.00 0.00 N ATOM 1397 CA ALA A 874 6.345 2.376 -0.544 1.00 0.00 C ATOM 1398 C ALA A 874 5.566 1.606 -1.606 1.00 0.00 C ATOM 1399 O ALA A 874 4.614 0.891 -1.293 1.00 0.00 O ATOM 1400 CB ALA A 874 7.610 1.621 -0.163 1.00 0.00 C ATOM 0 H ALA A 874 4.718 2.000 0.723 1.00 0.00 H new ATOM 0 HA ALA A 874 6.625 3.342 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 874 8.213 1.447 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 874 8.183 2.210 0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 874 7.342 0.664 0.285 1.00 0.00 H new ATOM 1406 N ILE A 875 5.976 1.759 -2.860 1.00 0.00 N ATOM 1407 CA ILE A 875 5.316 1.077 -3.967 1.00 0.00 C ATOM 1408 C ILE A 875 5.304 -0.432 -3.754 1.00 0.00 C ATOM 1409 O ILE A 875 6.352 -1.055 -3.583 1.00 0.00 O ATOM 1410 CB ILE A 875 6.003 1.389 -5.310 1.00 0.00 C ATOM 1411 CG1 ILE A 875 6.113 2.901 -5.513 1.00 0.00 C ATOM 1412 CG2 ILE A 875 5.237 0.749 -6.458 1.00 0.00 C ATOM 1413 CD1 ILE A 875 4.858 3.655 -5.133 1.00 0.00 C ATOM 0 H ILE A 875 6.761 2.349 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 875 4.291 1.445 -3.998 1.00 0.00 H new ATOM 0 HB ILE A 875 7.009 0.970 -5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 875 6.947 3.279 -4.922 1.00 0.00 H new ATOM 0 HG13 ILE A 875 6.346 3.103 -6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.735 0.978 -7.400 1.00 0.00 H new ATOM 0 HG22 ILE A 875 5.207 -0.331 -6.317 1.00 0.00 H new ATOM 0 HG23 ILE A 875 4.220 1.141 -6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 875 5.009 4.721 -5.303 1.00 0.00 H new ATOM 0 HD12 ILE A 875 4.025 3.305 -5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 875 4.635 3.483 -4.080 1.00 0.00 H new ATOM 1425 N SER A 876 4.109 -1.016 -3.765 1.00 0.00 N ATOM 1426 CA SER A 876 3.959 -2.454 -3.571 1.00 0.00 C ATOM 1427 C SER A 876 5.092 -3.215 -4.253 1.00 0.00 C ATOM 1428 O SER A 876 5.630 -2.772 -5.266 1.00 0.00 O ATOM 1429 CB SER A 876 2.610 -2.925 -4.118 1.00 0.00 C ATOM 1430 OG SER A 876 2.712 -3.287 -5.484 1.00 0.00 O ATOM 0 H SER A 876 3.231 -0.516 -3.906 1.00 0.00 H new ATOM 0 HA SER A 876 4.000 -2.658 -2.501 1.00 0.00 H new ATOM 0 HB2 SER A 876 2.257 -3.778 -3.538 1.00 0.00 H new ATOM 0 HB3 SER A 876 1.871 -2.132 -4.003 1.00 0.00 H new ATOM 0 HG SER A 876 1.962 -3.869 -5.725 1.00 0.00 H new