USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=22 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 826 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 853 GLN : amide:sc= -1.72 K(o=-1.7,f=-5!) USER MOD Set 2.1: A 821 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 861 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 801 HIS : no HE2:sc= -2.89! C(o=-2.9!,f=-3.9!) USER MOD Set 3.2: A 802 LYS NZ :NH3+ -162:sc= 0 (180deg=0) USER MOD Single : A 806 SER OG : rot 180:sc= 0 USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 812 CYS SG : rot 180:sc= -0.252 USER MOD Single : A 813 THR OG1 : rot 180:sc= -0.0467 USER MOD Single : A 814 LYS NZ :NH3+ -166:sc= 0.395 (180deg=0.188) USER MOD Single : A 822 LYS NZ :NH3+ 167:sc= 0.0512 (180deg=-0.0828) USER MOD Single : A 824 HIS : no HD1:sc= -0.0873 K(o=-0.087,f=-0.62) USER MOD Single : A 828 LYS NZ :NH3+ 142:sc= -1.48 (180deg=-3.75!) USER MOD Single : A 834 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 835 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.055) USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 841 LYS NZ :NH3+ -142:sc= -0.83 (180deg=-2.94!) USER MOD Single : A 845 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 TYR OH : rot -171:sc= -0.447 USER MOD Single : A 850 ASN : amide:sc= 0.112 K(o=0.11,f=-4.1!) USER MOD Single : A 852 SER OG : rot 180:sc= 0 USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 856 GLN : amide:sc= -0.174 K(o=-0.17,f=-2.2!) USER MOD Single : A 859 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 860 LYS NZ :NH3+ -171:sc=-0.00686 (180deg=-0.116) USER MOD Single : A 864 MET CE :methyl -137:sc= -0.976 (180deg=-5.38!) 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= -0.102 K(o=-0.1,f=-1.8!) USER MOD Single : A 872 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0522) USER MOD Single : A 876 SER OG : rot -148:sc= 0.864 USER MOD ----------------------------------------------------------------- ATOM 239 N HIS A 801 0.340 0.237 -9.039 1.00 0.00 N ATOM 240 CA HIS A 801 -0.769 1.003 -8.481 1.00 0.00 C ATOM 241 C HIS A 801 -0.955 0.689 -7.000 1.00 0.00 C ATOM 242 O HIS A 801 -1.210 1.583 -6.192 1.00 0.00 O ATOM 243 CB HIS A 801 -2.060 0.702 -9.244 1.00 0.00 C ATOM 244 CG HIS A 801 -2.581 -0.684 -9.017 1.00 0.00 C ATOM 245 ND1 HIS A 801 -2.053 -1.797 -9.636 1.00 0.00 N ATOM 246 CD2 HIS A 801 -3.587 -1.133 -8.231 1.00 0.00 C ATOM 247 CE1 HIS A 801 -2.713 -2.871 -9.243 1.00 0.00 C ATOM 248 NE2 HIS A 801 -3.649 -2.496 -8.390 1.00 0.00 N ATOM 0 HA HIS A 801 -0.534 2.062 -8.583 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -2.823 1.421 -8.948 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -1.884 0.845 -10.310 1.00 0.00 H new ATOM 0 HD1 HIS A 801 -1.274 -1.792 -10.295 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -4.222 -0.532 -7.597 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -2.520 -3.884 -9.564 1.00 0.00 H new ATOM 256 N LYS A 802 -0.825 -0.586 -6.649 1.00 0.00 N ATOM 257 CA LYS A 802 -0.978 -1.019 -5.265 1.00 0.00 C ATOM 258 C LYS A 802 0.072 -0.367 -4.372 1.00 0.00 C ATOM 259 O LYS A 802 1.175 -0.052 -4.821 1.00 0.00 O ATOM 260 CB LYS A 802 -0.868 -2.542 -5.171 1.00 0.00 C ATOM 261 CG LYS A 802 -2.011 -3.278 -5.850 1.00 0.00 C ATOM 262 CD LYS A 802 -1.948 -4.773 -5.584 1.00 0.00 C ATOM 263 CE LYS A 802 -3.299 -5.435 -5.807 1.00 0.00 C ATOM 264 NZ LYS A 802 -3.472 -5.880 -7.218 1.00 0.00 N ATOM 0 H LYS A 802 -0.614 -1.338 -7.305 1.00 0.00 H new ATOM 0 HA LYS A 802 -1.965 -0.710 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 802 0.074 -2.858 -5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -0.834 -2.831 -4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -2.962 -2.884 -5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -1.974 -3.097 -6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -1.205 -5.229 -6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -1.620 -4.948 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -3.398 -6.292 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -4.094 -4.736 -5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -4.481 -6.040 -7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -3.109 -5.147 -7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -2.946 -6.764 -7.370 1.00 0.00 H new ATOM 278 N LEU A 803 -0.276 -0.168 -3.106 1.00 0.00 N ATOM 279 CA LEU A 803 0.638 0.446 -2.148 1.00 0.00 C ATOM 280 C LEU A 803 0.879 -0.477 -0.958 1.00 0.00 C ATOM 281 O LEU A 803 0.004 -1.251 -0.571 1.00 0.00 O ATOM 282 CB LEU A 803 0.078 1.785 -1.665 1.00 0.00 C ATOM 283 CG LEU A 803 -0.585 2.658 -2.730 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.472 3.710 -2.082 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.467 3.315 -3.612 1.00 0.00 C ATOM 0 H LEU A 803 -1.184 -0.423 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 803 1.590 0.618 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -0.651 1.589 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 803 0.890 2.353 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 803 -1.210 2.021 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -1.935 4.322 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -2.248 3.220 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -0.869 4.343 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 803 -0.023 3.933 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.118 3.938 -2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 803 1.061 2.545 -4.105 1.00 0.00 H new ATOM 297 N PHE A 804 2.072 -0.387 -0.378 1.00 0.00 N ATOM 298 CA PHE A 804 2.428 -1.213 0.769 1.00 0.00 C ATOM 299 C PHE A 804 2.862 -0.347 1.949 1.00 0.00 C ATOM 300 O PHE A 804 3.844 0.392 1.861 1.00 0.00 O ATOM 301 CB PHE A 804 3.549 -2.186 0.397 1.00 0.00 C ATOM 302 CG PHE A 804 4.252 -2.775 1.586 1.00 0.00 C ATOM 303 CD1 PHE A 804 3.687 -3.827 2.290 1.00 0.00 C ATOM 304 CD2 PHE A 804 5.477 -2.278 2.001 1.00 0.00 C ATOM 305 CE1 PHE A 804 4.330 -4.372 3.385 1.00 0.00 C ATOM 306 CE2 PHE A 804 6.125 -2.819 3.095 1.00 0.00 C ATOM 307 CZ PHE A 804 5.551 -3.867 3.788 1.00 0.00 C ATOM 0 H PHE A 804 2.808 0.250 -0.684 1.00 0.00 H new ATOM 0 HA PHE A 804 1.546 -1.782 1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 804 3.133 -2.993 -0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.278 -1.667 -0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 804 2.733 -4.226 1.979 1.00 0.00 H new ATOM 0 HD2 PHE A 804 5.931 -1.458 1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 804 3.879 -5.191 3.925 1.00 0.00 H new ATOM 0 HE2 PHE A 804 7.080 -2.423 3.408 1.00 0.00 H new ATOM 0 HZ PHE A 804 6.056 -4.291 4.643 1.00 0.00 H new ATOM 317 N ILE A 805 2.124 -0.444 3.049 1.00 0.00 N ATOM 318 CA ILE A 805 2.432 0.330 4.245 1.00 0.00 C ATOM 319 C ILE A 805 2.870 -0.578 5.389 1.00 0.00 C ATOM 320 O ILE A 805 2.466 -1.738 5.465 1.00 0.00 O ATOM 321 CB ILE A 805 1.222 1.165 4.703 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.502 1.765 3.493 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.667 2.263 5.658 1.00 0.00 C ATOM 324 CD1 ILE A 805 -0.500 2.838 3.857 1.00 0.00 C ATOM 0 H ILE A 805 1.309 -1.051 3.137 1.00 0.00 H new ATOM 0 HA ILE A 805 3.249 1.002 3.984 1.00 0.00 H new ATOM 0 HB ILE A 805 0.527 0.511 5.230 1.00 0.00 H new ATOM 0 HG12 ILE A 805 1.242 2.186 2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 805 -0.011 0.968 2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 805 0.801 2.845 5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.141 1.815 6.532 1.00 0.00 H new ATOM 0 HG23 ILE A 805 2.379 2.917 5.154 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -0.972 3.218 2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.262 2.417 4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 805 0.010 3.653 4.370 1.00 0.00 H new ATOM 336 N SER A 806 3.699 -0.042 6.280 1.00 0.00 N ATOM 337 CA SER A 806 4.194 -0.804 7.420 1.00 0.00 C ATOM 338 C SER A 806 4.429 0.106 8.621 1.00 0.00 C ATOM 339 O SER A 806 4.671 1.303 8.470 1.00 0.00 O ATOM 340 CB SER A 806 5.491 -1.528 7.052 1.00 0.00 C ATOM 341 OG SER A 806 6.428 -0.634 6.478 1.00 0.00 O ATOM 0 H SER A 806 4.042 0.918 6.234 1.00 0.00 H new ATOM 0 HA SER A 806 3.438 -1.542 7.688 1.00 0.00 H new ATOM 0 HB2 SER A 806 5.920 -1.987 7.942 1.00 0.00 H new ATOM 0 HB3 SER A 806 5.275 -2.334 6.350 1.00 0.00 H new ATOM 0 HG SER A 806 7.249 -1.120 6.253 1.00 0.00 H new ATOM 347 N GLY A 807 4.356 -0.471 9.817 1.00 0.00 N ATOM 348 CA GLY A 807 4.563 0.302 11.028 1.00 0.00 C ATOM 349 C GLY A 807 3.298 0.993 11.498 1.00 0.00 C ATOM 350 O GLY A 807 3.351 1.910 12.318 1.00 0.00 O ATOM 0 H GLY A 807 4.157 -1.460 9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 807 4.929 -0.355 11.817 1.00 0.00 H new ATOM 0 HA3 GLY A 807 5.337 1.049 10.851 1.00 0.00 H new ATOM 354 N LEU A 808 2.158 0.554 10.977 1.00 0.00 N ATOM 355 CA LEU A 808 0.873 1.138 11.346 1.00 0.00 C ATOM 356 C LEU A 808 0.451 0.687 12.741 1.00 0.00 C ATOM 357 O LEU A 808 0.671 -0.455 13.144 1.00 0.00 O ATOM 358 CB LEU A 808 -0.199 0.750 10.326 1.00 0.00 C ATOM 359 CG LEU A 808 -0.105 1.432 8.961 1.00 0.00 C ATOM 360 CD1 LEU A 808 -0.874 0.641 7.915 1.00 0.00 C ATOM 361 CD2 LEU A 808 -0.625 2.860 9.042 1.00 0.00 C ATOM 0 H LEU A 808 2.097 -0.204 10.298 1.00 0.00 H new ATOM 0 HA LEU A 808 0.983 2.222 11.352 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -0.155 -0.329 10.175 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -1.177 0.972 10.754 1.00 0.00 H new ATOM 0 HG LEU A 808 0.943 1.464 8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -0.796 1.142 6.950 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -0.456 -0.363 7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -1.922 0.576 8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -0.551 3.330 8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -1.667 2.850 9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -0.030 3.424 9.761 1.00 0.00 H new ATOM 373 N PRO A 809 -0.172 1.603 13.496 1.00 0.00 N ATOM 374 CA PRO A 809 -0.641 1.322 14.856 1.00 0.00 C ATOM 375 C PRO A 809 -1.824 0.360 14.875 1.00 0.00 C ATOM 376 O PRO A 809 -2.804 0.552 14.155 1.00 0.00 O ATOM 377 CB PRO A 809 -1.063 2.698 15.378 1.00 0.00 C ATOM 378 CG PRO A 809 -1.395 3.481 14.155 1.00 0.00 C ATOM 379 CD PRO A 809 -0.468 2.985 13.081 1.00 0.00 C ATOM 0 HA PRO A 809 0.128 0.839 15.460 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -1.922 2.622 16.045 1.00 0.00 H new ATOM 0 HB3 PRO A 809 -0.260 3.170 15.945 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -2.437 3.335 13.869 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -1.258 4.549 14.326 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -0.938 3.017 12.098 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.437 3.589 13.021 1.00 0.00 H new ATOM 387 N PHE A 810 -1.726 -0.675 15.702 1.00 0.00 N ATOM 388 CA PHE A 810 -2.788 -1.668 15.814 1.00 0.00 C ATOM 389 C PHE A 810 -4.152 -0.994 15.931 1.00 0.00 C ATOM 390 O PHE A 810 -5.117 -1.404 15.285 1.00 0.00 O ATOM 391 CB PHE A 810 -2.547 -2.570 17.025 1.00 0.00 C ATOM 392 CG PHE A 810 -1.104 -2.940 17.220 1.00 0.00 C ATOM 393 CD1 PHE A 810 -0.357 -3.444 16.167 1.00 0.00 C ATOM 394 CD2 PHE A 810 -0.495 -2.784 18.454 1.00 0.00 C ATOM 395 CE1 PHE A 810 0.971 -3.785 16.343 1.00 0.00 C ATOM 396 CE2 PHE A 810 0.832 -3.123 18.635 1.00 0.00 C ATOM 397 CZ PHE A 810 1.566 -3.625 17.578 1.00 0.00 C ATOM 0 H PHE A 810 -0.922 -0.848 16.305 1.00 0.00 H new ATOM 0 HA PHE A 810 -2.779 -2.276 14.910 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -2.909 -2.066 17.921 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -3.135 -3.481 16.912 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -0.817 -3.572 15.198 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -1.064 -2.393 19.284 1.00 0.00 H new ATOM 0 HE1 PHE A 810 1.543 -4.176 15.515 1.00 0.00 H new ATOM 0 HE2 PHE A 810 1.295 -2.996 19.602 1.00 0.00 H new ATOM 0 HZ PHE A 810 2.603 -3.892 17.718 1.00 0.00 H new ATOM 407 N SER A 811 -4.225 0.042 16.761 1.00 0.00 N ATOM 408 CA SER A 811 -5.471 0.770 16.967 1.00 0.00 C ATOM 409 C SER A 811 -6.177 1.026 15.639 1.00 0.00 C ATOM 410 O SER A 811 -7.360 0.719 15.483 1.00 0.00 O ATOM 411 CB SER A 811 -5.198 2.098 17.676 1.00 0.00 C ATOM 412 OG SER A 811 -6.392 2.648 18.206 1.00 0.00 O ATOM 0 H SER A 811 -3.436 0.396 17.302 1.00 0.00 H new ATOM 0 HA SER A 811 -6.121 0.158 17.592 1.00 0.00 H new ATOM 0 HB2 SER A 811 -4.477 1.944 18.479 1.00 0.00 H new ATOM 0 HB3 SER A 811 -4.749 2.802 16.976 1.00 0.00 H new ATOM 0 HG SER A 811 -6.191 3.495 18.655 1.00 0.00 H new ATOM 418 N CYS A 812 -5.444 1.589 14.685 1.00 0.00 N ATOM 419 CA CYS A 812 -5.999 1.887 13.370 1.00 0.00 C ATOM 420 C CYS A 812 -6.635 0.645 12.754 1.00 0.00 C ATOM 421 O CYS A 812 -6.265 -0.483 13.081 1.00 0.00 O ATOM 422 CB CYS A 812 -4.909 2.429 12.444 1.00 0.00 C ATOM 423 SG CYS A 812 -5.528 3.488 11.115 1.00 0.00 S ATOM 0 H CYS A 812 -4.464 1.848 14.798 1.00 0.00 H new ATOM 0 HA CYS A 812 -6.772 2.646 13.493 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -4.190 2.993 13.038 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -4.371 1.590 12.004 1.00 0.00 H new ATOM 0 HG CYS A 812 -4.532 3.899 10.388 1.00 0.00 H new ATOM 429 N THR A 813 -7.595 0.859 11.859 1.00 0.00 N ATOM 430 CA THR A 813 -8.284 -0.242 11.199 1.00 0.00 C ATOM 431 C THR A 813 -8.561 0.081 9.736 1.00 0.00 C ATOM 432 O THR A 813 -8.196 1.150 9.245 1.00 0.00 O ATOM 433 CB THR A 813 -9.615 -0.573 11.901 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.182 -1.762 11.340 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.600 0.578 11.764 1.00 0.00 C ATOM 0 H THR A 813 -7.913 1.786 11.575 1.00 0.00 H new ATOM 0 HA THR A 813 -7.625 -1.108 11.258 1.00 0.00 H new ATOM 0 HB THR A 813 -9.412 -0.732 12.960 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.027 -1.967 11.793 1.00 0.00 H new ATOM 0 HG21 THR A 813 -11.532 0.321 12.267 1.00 0.00 H new ATOM 0 HG22 THR A 813 -10.178 1.474 12.218 1.00 0.00 H new ATOM 0 HG23 THR A 813 -10.797 0.764 10.708 1.00 0.00 H new ATOM 443 N LYS A 814 -9.210 -0.848 9.042 1.00 0.00 N ATOM 444 CA LYS A 814 -9.538 -0.662 7.634 1.00 0.00 C ATOM 445 C LYS A 814 -10.320 0.630 7.424 1.00 0.00 C ATOM 446 O LYS A 814 -10.008 1.417 6.530 1.00 0.00 O ATOM 447 CB LYS A 814 -10.351 -1.852 7.117 1.00 0.00 C ATOM 448 CG LYS A 814 -10.145 -2.133 5.638 1.00 0.00 C ATOM 449 CD LYS A 814 -11.038 -3.264 5.156 1.00 0.00 C ATOM 450 CE LYS A 814 -10.416 -4.623 5.436 1.00 0.00 C ATOM 451 NZ LYS A 814 -9.319 -4.939 4.480 1.00 0.00 N ATOM 0 H LYS A 814 -9.519 -1.738 9.433 1.00 0.00 H new ATOM 0 HA LYS A 814 -8.605 -0.597 7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -10.082 -2.741 7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -11.409 -1.665 7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -10.355 -1.231 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -9.101 -2.390 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -12.008 -3.198 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -11.216 -3.158 4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -10.027 -4.641 6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -11.184 -5.394 5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -9.082 -5.950 4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -9.628 -4.717 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -8.480 -4.371 4.714 1.00 0.00 H new ATOM 465 N GLU A 815 -11.337 0.843 8.253 1.00 0.00 N ATOM 466 CA GLU A 815 -12.162 2.042 8.157 1.00 0.00 C ATOM 467 C GLU A 815 -11.297 3.299 8.148 1.00 0.00 C ATOM 468 O GLU A 815 -11.322 4.074 7.192 1.00 0.00 O ATOM 469 CB GLU A 815 -13.153 2.100 9.322 1.00 0.00 C ATOM 470 CG GLU A 815 -14.316 1.133 9.180 1.00 0.00 C ATOM 471 CD GLU A 815 -15.565 1.613 9.894 1.00 0.00 C ATOM 472 OE1 GLU A 815 -15.435 2.175 11.002 1.00 0.00 O ATOM 473 OE2 GLU A 815 -16.671 1.428 9.345 1.00 0.00 O ATOM 0 H GLU A 815 -11.609 0.202 8.998 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.716 1.997 7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.623 1.884 10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.543 3.114 9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -14.539 0.991 8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -14.026 0.161 9.578 1.00 0.00 H new ATOM 480 N GLU A 816 -10.533 3.493 9.218 1.00 0.00 N ATOM 481 CA GLU A 816 -9.662 4.656 9.334 1.00 0.00 C ATOM 482 C GLU A 816 -8.781 4.800 8.096 1.00 0.00 C ATOM 483 O GLU A 816 -8.929 5.746 7.321 1.00 0.00 O ATOM 484 CB GLU A 816 -8.789 4.544 10.585 1.00 0.00 C ATOM 485 CG GLU A 816 -9.562 4.703 11.883 1.00 0.00 C ATOM 486 CD GLU A 816 -9.915 6.148 12.179 1.00 0.00 C ATOM 487 OE1 GLU A 816 -9.063 6.864 12.744 1.00 0.00 O ATOM 488 OE2 GLU A 816 -11.045 6.562 11.844 1.00 0.00 O ATOM 0 H GLU A 816 -10.500 2.860 10.017 1.00 0.00 H new ATOM 0 HA GLU A 816 -10.290 5.543 9.417 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.291 3.574 10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -8.008 5.303 10.542 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -10.477 4.113 11.831 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -8.970 4.302 12.706 1.00 0.00 H new ATOM 495 N LEU A 817 -7.863 3.856 7.917 1.00 0.00 N ATOM 496 CA LEU A 817 -6.956 3.877 6.775 1.00 0.00 C ATOM 497 C LEU A 817 -7.710 4.194 5.487 1.00 0.00 C ATOM 498 O LEU A 817 -7.479 5.227 4.860 1.00 0.00 O ATOM 499 CB LEU A 817 -6.241 2.532 6.642 1.00 0.00 C ATOM 500 CG LEU A 817 -4.929 2.545 5.856 1.00 0.00 C ATOM 501 CD1 LEU A 817 -3.944 3.523 6.477 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.329 1.147 5.797 1.00 0.00 C ATOM 0 H LEU A 817 -7.727 3.066 8.548 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.216 4.660 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.038 2.150 7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -6.921 1.827 6.164 1.00 0.00 H new ATOM 0 HG LEU A 817 -5.141 2.872 4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -3.017 3.518 5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.372 4.526 6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -3.737 3.227 7.505 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.396 1.175 5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.132 0.793 6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -5.029 0.471 5.306 1.00 0.00 H new ATOM 514 N GLU A 818 -8.614 3.299 5.101 1.00 0.00 N ATOM 515 CA GLU A 818 -9.403 3.485 3.889 1.00 0.00 C ATOM 516 C GLU A 818 -9.740 4.959 3.679 1.00 0.00 C ATOM 517 O GLU A 818 -9.413 5.539 2.645 1.00 0.00 O ATOM 518 CB GLU A 818 -10.691 2.662 3.960 1.00 0.00 C ATOM 519 CG GLU A 818 -11.490 2.669 2.668 1.00 0.00 C ATOM 520 CD GLU A 818 -12.809 1.932 2.794 1.00 0.00 C ATOM 521 OE1 GLU A 818 -13.732 2.473 3.438 1.00 0.00 O ATOM 522 OE2 GLU A 818 -12.919 0.814 2.248 1.00 0.00 O ATOM 0 H GLU A 818 -8.818 2.439 5.610 1.00 0.00 H new ATOM 0 HA GLU A 818 -8.807 3.142 3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -10.441 1.633 4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.315 3.049 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -11.681 3.700 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -10.897 2.212 1.876 1.00 0.00 H new ATOM 529 N GLU A 819 -10.396 5.556 4.669 1.00 0.00 N ATOM 530 CA GLU A 819 -10.778 6.961 4.593 1.00 0.00 C ATOM 531 C GLU A 819 -9.595 7.824 4.162 1.00 0.00 C ATOM 532 O GLU A 819 -9.653 8.510 3.141 1.00 0.00 O ATOM 533 CB GLU A 819 -11.309 7.443 5.945 1.00 0.00 C ATOM 534 CG GLU A 819 -12.751 7.045 6.209 1.00 0.00 C ATOM 535 CD GLU A 819 -13.123 7.139 7.676 1.00 0.00 C ATOM 536 OE1 GLU A 819 -12.674 8.095 8.342 1.00 0.00 O ATOM 537 OE2 GLU A 819 -13.865 6.257 8.157 1.00 0.00 O ATOM 0 H GLU A 819 -10.674 5.089 5.532 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.567 7.056 3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -10.679 7.040 6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -11.226 8.529 5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -13.413 7.687 5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -12.912 6.024 5.862 1.00 0.00 H new ATOM 544 N ILE A 820 -8.524 7.785 4.948 1.00 0.00 N ATOM 545 CA ILE A 820 -7.328 8.562 4.648 1.00 0.00 C ATOM 546 C ILE A 820 -6.913 8.391 3.191 1.00 0.00 C ATOM 547 O ILE A 820 -6.439 9.334 2.555 1.00 0.00 O ATOM 548 CB ILE A 820 -6.152 8.158 5.556 1.00 0.00 C ATOM 549 CG1 ILE A 820 -6.481 8.462 7.019 1.00 0.00 C ATOM 550 CG2 ILE A 820 -4.882 8.881 5.132 1.00 0.00 C ATOM 551 CD1 ILE A 820 -5.467 7.906 7.995 1.00 0.00 C ATOM 0 H ILE A 820 -8.460 7.224 5.797 1.00 0.00 H new ATOM 0 HA ILE A 820 -7.576 9.607 4.832 1.00 0.00 H new ATOM 0 HB ILE A 820 -5.987 7.085 5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -6.546 9.542 7.151 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -7.463 8.052 7.255 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -4.060 8.585 5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -4.641 8.619 4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -5.034 9.958 5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -5.764 8.160 9.013 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -5.418 6.822 7.891 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -4.487 8.335 7.786 1.00 0.00 H new ATOM 563 N CYS A 821 -7.095 7.184 2.667 1.00 0.00 N ATOM 564 CA CYS A 821 -6.740 6.890 1.283 1.00 0.00 C ATOM 565 C CYS A 821 -7.703 7.573 0.318 1.00 0.00 C ATOM 566 O CYS A 821 -7.304 8.036 -0.751 1.00 0.00 O ATOM 567 CB CYS A 821 -6.745 5.379 1.044 1.00 0.00 C ATOM 568 SG CYS A 821 -5.477 4.481 1.968 1.00 0.00 S ATOM 0 H CYS A 821 -7.486 6.393 3.179 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.737 7.276 1.101 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -7.724 4.983 1.313 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.606 5.190 -0.020 1.00 0.00 H new ATOM 0 HG CYS A 821 -5.563 3.212 1.701 1.00 0.00 H new ATOM 574 N LYS A 822 -8.974 7.633 0.701 1.00 0.00 N ATOM 575 CA LYS A 822 -9.995 8.259 -0.130 1.00 0.00 C ATOM 576 C LYS A 822 -9.682 9.734 -0.358 1.00 0.00 C ATOM 577 O LYS A 822 -10.169 10.342 -1.311 1.00 0.00 O ATOM 578 CB LYS A 822 -11.372 8.115 0.523 1.00 0.00 C ATOM 579 CG LYS A 822 -11.808 6.672 0.708 1.00 0.00 C ATOM 580 CD LYS A 822 -13.323 6.546 0.731 1.00 0.00 C ATOM 581 CE LYS A 822 -13.766 5.276 1.443 1.00 0.00 C ATOM 582 NZ LYS A 822 -13.744 5.434 2.923 1.00 0.00 N ATOM 0 H LYS A 822 -9.322 7.255 1.582 1.00 0.00 H new ATOM 0 HA LYS A 822 -10.002 7.753 -1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -11.358 8.609 1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -12.111 8.634 -0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -11.403 6.062 -0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -11.395 6.283 1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -13.754 7.414 1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -13.705 6.544 -0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -14.773 5.012 1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -13.113 4.452 1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -14.253 4.642 3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -12.759 5.442 3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -14.205 6.329 3.183 1.00 0.00 H new ATOM 596 N ALA A 823 -8.864 10.304 0.521 1.00 0.00 N ATOM 597 CA ALA A 823 -8.483 11.706 0.413 1.00 0.00 C ATOM 598 C ALA A 823 -7.506 11.923 -0.738 1.00 0.00 C ATOM 599 O ALA A 823 -7.617 12.894 -1.486 1.00 0.00 O ATOM 600 CB ALA A 823 -7.876 12.191 1.721 1.00 0.00 C ATOM 0 H ALA A 823 -8.452 9.815 1.316 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.383 12.286 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -7.596 13.240 1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.606 12.082 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -6.991 11.599 1.953 1.00 0.00 H new ATOM 606 N HIS A 824 -6.547 11.011 -0.874 1.00 0.00 N ATOM 607 CA HIS A 824 -5.550 11.103 -1.934 1.00 0.00 C ATOM 608 C HIS A 824 -6.179 10.830 -3.297 1.00 0.00 C ATOM 609 O HIS A 824 -5.847 11.481 -4.286 1.00 0.00 O ATOM 610 CB HIS A 824 -4.411 10.116 -1.678 1.00 0.00 C ATOM 611 CG HIS A 824 -3.760 10.286 -0.340 1.00 0.00 C ATOM 612 ND1 HIS A 824 -3.128 11.449 0.048 1.00 0.00 N ATOM 613 CD2 HIS A 824 -3.647 9.432 0.705 1.00 0.00 C ATOM 614 CE1 HIS A 824 -2.654 11.302 1.272 1.00 0.00 C ATOM 615 NE2 HIS A 824 -2.955 10.088 1.693 1.00 0.00 N ATOM 0 H HIS A 824 -6.440 10.201 -0.263 1.00 0.00 H new ATOM 0 HA HIS A 824 -5.149 12.117 -1.935 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -4.797 9.100 -1.758 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -3.658 10.233 -2.457 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -4.030 8.423 0.752 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -2.112 12.049 1.833 1.00 0.00 H new ATOM 0 HE2 HIS A 824 -2.713 9.700 2.605 1.00 0.00 H new ATOM 623 N GLY A 825 -7.089 9.861 -3.340 1.00 0.00 N ATOM 624 CA GLY A 825 -7.749 9.518 -4.586 1.00 0.00 C ATOM 625 C GLY A 825 -8.862 8.508 -4.394 1.00 0.00 C ATOM 626 O GLY A 825 -9.486 8.453 -3.333 1.00 0.00 O ATOM 0 H GLY A 825 -7.381 9.308 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -8.157 10.422 -5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -7.014 9.116 -5.284 1.00 0.00 H new ATOM 630 N THR A 826 -9.115 7.705 -5.423 1.00 0.00 N ATOM 631 CA THR A 826 -10.163 6.693 -5.363 1.00 0.00 C ATOM 632 C THR A 826 -9.601 5.345 -4.929 1.00 0.00 C ATOM 633 O THR A 826 -8.650 4.836 -5.524 1.00 0.00 O ATOM 634 CB THR A 826 -10.864 6.530 -6.725 1.00 0.00 C ATOM 635 OG1 THR A 826 -11.347 7.799 -7.183 1.00 0.00 O ATOM 636 CG2 THR A 826 -12.021 5.548 -6.624 1.00 0.00 C ATOM 0 H THR A 826 -8.609 7.736 -6.308 1.00 0.00 H new ATOM 0 HA THR A 826 -10.891 7.034 -4.626 1.00 0.00 H new ATOM 0 HB THR A 826 -10.138 6.139 -7.438 1.00 0.00 H new ATOM 0 HG1 THR A 826 -11.790 7.687 -8.050 1.00 0.00 H new ATOM 0 HG21 THR A 826 -12.501 5.449 -7.598 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.646 4.576 -6.304 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.747 5.914 -5.898 1.00 0.00 H new ATOM 644 N VAL A 827 -10.195 4.768 -3.889 1.00 0.00 N ATOM 645 CA VAL A 827 -9.755 3.477 -3.376 1.00 0.00 C ATOM 646 C VAL A 827 -10.601 2.342 -3.944 1.00 0.00 C ATOM 647 O VAL A 827 -11.758 2.165 -3.563 1.00 0.00 O ATOM 648 CB VAL A 827 -9.821 3.431 -1.838 1.00 0.00 C ATOM 649 CG1 VAL A 827 -9.438 2.051 -1.327 1.00 0.00 C ATOM 650 CG2 VAL A 827 -8.922 4.500 -1.235 1.00 0.00 C ATOM 0 H VAL A 827 -10.983 5.175 -3.385 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.720 3.348 -3.692 1.00 0.00 H new ATOM 0 HB VAL A 827 -10.847 3.634 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -9.491 2.039 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -10.126 1.309 -1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -8.422 1.815 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -8.981 4.454 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -7.893 4.330 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -9.248 5.483 -1.574 1.00 0.00 H new ATOM 660 N LYS A 828 -10.016 1.576 -4.858 1.00 0.00 N ATOM 661 CA LYS A 828 -10.714 0.456 -5.478 1.00 0.00 C ATOM 662 C LYS A 828 -10.872 -0.699 -4.495 1.00 0.00 C ATOM 663 O LYS A 828 -11.963 -1.250 -4.341 1.00 0.00 O ATOM 664 CB LYS A 828 -9.956 -0.019 -6.721 1.00 0.00 C ATOM 665 CG LYS A 828 -9.857 1.034 -7.812 1.00 0.00 C ATOM 666 CD LYS A 828 -11.207 1.296 -8.457 1.00 0.00 C ATOM 667 CE LYS A 828 -11.569 0.208 -9.456 1.00 0.00 C ATOM 668 NZ LYS A 828 -12.069 -1.021 -8.780 1.00 0.00 N ATOM 0 H LYS A 828 -9.060 1.710 -5.186 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.706 0.798 -5.772 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -8.951 -0.324 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -10.452 -0.902 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -9.468 1.961 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -9.147 0.707 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -11.975 1.353 -7.686 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -11.189 2.262 -8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -12.331 0.582 -10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -10.694 -0.039 -10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -12.843 -1.434 -9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -11.295 -1.711 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -12.418 -0.778 -7.831 1.00 0.00 H new ATOM 682 N ASP A 829 -9.780 -1.059 -3.831 1.00 0.00 N ATOM 683 CA ASP A 829 -9.798 -2.147 -2.860 1.00 0.00 C ATOM 684 C ASP A 829 -8.766 -1.913 -1.762 1.00 0.00 C ATOM 685 O ASP A 829 -7.791 -1.186 -1.956 1.00 0.00 O ATOM 686 CB ASP A 829 -9.530 -3.483 -3.554 1.00 0.00 C ATOM 687 CG ASP A 829 -9.736 -4.667 -2.630 1.00 0.00 C ATOM 688 OD1 ASP A 829 -10.902 -4.961 -2.292 1.00 0.00 O ATOM 689 OD2 ASP A 829 -8.731 -5.300 -2.244 1.00 0.00 O ATOM 0 H ASP A 829 -8.870 -0.613 -3.947 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.787 -2.177 -2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -10.190 -3.580 -4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -8.508 -3.494 -3.932 1.00 0.00 H new ATOM 694 N LEU A 830 -8.986 -2.533 -0.608 1.00 0.00 N ATOM 695 CA LEU A 830 -8.075 -2.392 0.523 1.00 0.00 C ATOM 696 C LEU A 830 -7.990 -3.690 1.319 1.00 0.00 C ATOM 697 O LEU A 830 -9.010 -4.263 1.702 1.00 0.00 O ATOM 698 CB LEU A 830 -8.533 -1.251 1.433 1.00 0.00 C ATOM 699 CG LEU A 830 -7.454 -0.619 2.312 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.886 0.763 2.778 1.00 0.00 C ATOM 701 CD2 LEU A 830 -7.145 -1.513 3.504 1.00 0.00 C ATOM 0 H LEU A 830 -9.787 -3.138 -0.431 1.00 0.00 H new ATOM 0 HA LEU A 830 -7.084 -2.161 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -8.970 -0.470 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -9.327 -1.625 2.079 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.546 -0.512 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -7.105 1.197 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -8.055 1.403 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.808 0.681 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -6.375 -1.047 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -8.048 -1.652 4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.790 -2.481 3.150 1.00 0.00 H new ATOM 713 N ARG A 831 -6.767 -4.147 1.566 1.00 0.00 N ATOM 714 CA ARG A 831 -6.549 -5.377 2.318 1.00 0.00 C ATOM 715 C ARG A 831 -5.486 -5.176 3.394 1.00 0.00 C ATOM 716 O ARG A 831 -4.481 -4.499 3.170 1.00 0.00 O ATOM 717 CB ARG A 831 -6.129 -6.508 1.377 1.00 0.00 C ATOM 718 CG ARG A 831 -5.934 -7.843 2.077 1.00 0.00 C ATOM 719 CD ARG A 831 -6.154 -9.009 1.126 1.00 0.00 C ATOM 720 NE ARG A 831 -6.523 -10.231 1.834 1.00 0.00 N ATOM 721 CZ ARG A 831 -7.044 -11.297 1.237 1.00 0.00 C ATOM 722 NH1 ARG A 831 -7.255 -11.291 -0.072 1.00 0.00 N ATOM 723 NH2 ARG A 831 -7.354 -12.373 1.950 1.00 0.00 N ATOM 0 H ARG A 831 -5.912 -3.684 1.257 1.00 0.00 H new ATOM 0 HA ARG A 831 -7.487 -5.647 2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -6.885 -6.622 0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -5.200 -6.229 0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -4.927 -7.894 2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -6.627 -7.920 2.915 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -6.938 -8.752 0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -5.245 -9.184 0.551 1.00 0.00 H new ATOM 0 HE ARG A 831 -6.373 -10.268 2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -7.017 -10.466 -0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -7.655 -12.111 -0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -7.192 -12.382 2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -7.754 -13.191 1.491 1.00 0.00 H new ATOM 737 N LEU A 832 -5.714 -5.766 4.562 1.00 0.00 N ATOM 738 CA LEU A 832 -4.776 -5.651 5.673 1.00 0.00 C ATOM 739 C LEU A 832 -4.183 -7.011 6.028 1.00 0.00 C ATOM 740 O LEU A 832 -4.892 -8.016 6.076 1.00 0.00 O ATOM 741 CB LEU A 832 -5.474 -5.052 6.895 1.00 0.00 C ATOM 742 CG LEU A 832 -6.205 -3.728 6.669 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.213 -3.478 7.780 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.212 -2.579 6.579 1.00 0.00 C ATOM 0 H LEU A 832 -6.540 -6.329 4.764 1.00 0.00 H new ATOM 0 HA LEU A 832 -3.965 -4.991 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -6.192 -5.781 7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -4.730 -4.904 7.677 1.00 0.00 H new ATOM 0 HG LEU A 832 -6.745 -3.790 5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -7.723 -2.531 7.602 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -7.944 -4.287 7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -6.695 -3.437 8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -5.750 -1.645 6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -4.644 -2.515 7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -4.529 -2.752 5.747 1.00 0.00 H new ATOM 756 N VAL A 833 -2.878 -7.035 6.277 1.00 0.00 N ATOM 757 CA VAL A 833 -2.189 -8.271 6.631 1.00 0.00 C ATOM 758 C VAL A 833 -2.272 -8.536 8.130 1.00 0.00 C ATOM 759 O VAL A 833 -1.460 -8.031 8.907 1.00 0.00 O ATOM 760 CB VAL A 833 -0.708 -8.229 6.209 1.00 0.00 C ATOM 761 CG1 VAL A 833 -0.109 -9.627 6.223 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.564 -7.592 4.835 1.00 0.00 C ATOM 0 H VAL A 833 -2.276 -6.212 6.240 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.689 -9.077 6.094 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.161 -7.618 6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 833 0.937 -9.577 5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 833 -0.178 -10.042 7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -0.656 -10.264 5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.489 -7.570 4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -1.124 -8.174 4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -0.953 -6.574 4.863 1.00 0.00 H new ATOM 772 N THR A 834 -3.258 -9.332 8.532 1.00 0.00 N ATOM 773 CA THR A 834 -3.448 -9.664 9.938 1.00 0.00 C ATOM 774 C THR A 834 -2.772 -10.986 10.287 1.00 0.00 C ATOM 775 O THR A 834 -2.217 -11.658 9.418 1.00 0.00 O ATOM 776 CB THR A 834 -4.943 -9.755 10.297 1.00 0.00 C ATOM 777 OG1 THR A 834 -5.678 -10.306 9.199 1.00 0.00 O ATOM 778 CG2 THR A 834 -5.499 -8.383 10.648 1.00 0.00 C ATOM 0 H THR A 834 -3.938 -9.759 7.903 1.00 0.00 H new ATOM 0 HA THR A 834 -2.991 -8.861 10.517 1.00 0.00 H new ATOM 0 HB THR A 834 -5.047 -10.405 11.166 1.00 0.00 H new ATOM 0 HG1 THR A 834 -6.627 -10.362 9.436 1.00 0.00 H new ATOM 0 HG21 THR A 834 -6.556 -8.472 10.898 1.00 0.00 H new ATOM 0 HG22 THR A 834 -4.957 -7.978 11.503 1.00 0.00 H new ATOM 0 HG23 THR A 834 -5.383 -7.714 9.795 1.00 0.00 H new ATOM 786 N ASN A 835 -2.824 -11.353 11.563 1.00 0.00 N ATOM 787 CA ASN A 835 -2.216 -12.595 12.026 1.00 0.00 C ATOM 788 C ASN A 835 -3.212 -13.748 11.952 1.00 0.00 C ATOM 789 O ASN A 835 -4.392 -13.545 11.664 1.00 0.00 O ATOM 790 CB ASN A 835 -1.710 -12.435 13.461 1.00 0.00 C ATOM 791 CG ASN A 835 -0.353 -11.761 13.524 1.00 0.00 C ATOM 792 OD1 ASN A 835 0.629 -12.265 12.980 1.00 0.00 O ATOM 793 ND2 ASN A 835 -0.293 -10.613 14.190 1.00 0.00 N ATOM 0 H ASN A 835 -3.281 -10.808 12.295 1.00 0.00 H new ATOM 0 HA ASN A 835 -1.373 -12.824 11.374 1.00 0.00 H new ATOM 0 HB2 ASN A 835 -2.430 -11.851 14.034 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -1.648 -13.416 13.933 1.00 0.00 H new ATOM 0 HD21 ASN A 835 0.593 -10.113 14.266 1.00 0.00 H new ATOM 0 HD22 ASN A 835 -1.133 -10.232 14.626 1.00 0.00 H new ATOM 800 N ARG A 836 -2.729 -14.958 12.214 1.00 0.00 N ATOM 801 CA ARG A 836 -3.576 -16.144 12.176 1.00 0.00 C ATOM 802 C ARG A 836 -4.771 -15.988 13.113 1.00 0.00 C ATOM 803 O ARG A 836 -5.820 -16.596 12.903 1.00 0.00 O ATOM 804 CB ARG A 836 -2.770 -17.385 12.563 1.00 0.00 C ATOM 805 CG ARG A 836 -3.617 -18.637 12.721 1.00 0.00 C ATOM 806 CD ARG A 836 -3.986 -19.234 11.371 1.00 0.00 C ATOM 807 NE ARG A 836 -5.102 -18.528 10.747 1.00 0.00 N ATOM 808 CZ ARG A 836 -5.492 -18.732 9.494 1.00 0.00 C ATOM 809 NH1 ARG A 836 -4.858 -19.615 8.735 1.00 0.00 N ATOM 810 NH2 ARG A 836 -6.517 -18.051 8.997 1.00 0.00 N ATOM 0 H ARG A 836 -1.755 -15.143 12.455 1.00 0.00 H new ATOM 0 HA ARG A 836 -3.947 -16.263 11.158 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -2.009 -17.565 11.804 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -2.246 -17.190 13.499 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -3.072 -19.375 13.310 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -4.525 -18.396 13.274 1.00 0.00 H new ATOM 0 HD2 ARG A 836 -3.120 -19.199 10.710 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -4.247 -20.285 11.498 1.00 0.00 H new ATOM 0 HE ARG A 836 -5.610 -17.841 11.304 1.00 0.00 H new ATOM 0 HH11 ARG A 836 -4.069 -20.139 9.113 1.00 0.00 H new ATOM 0 HH12 ARG A 836 -5.159 -19.770 7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 836 -7.006 -17.370 9.578 1.00 0.00 H new ATOM 0 HH22 ARG A 836 -6.815 -18.209 8.034 1.00 0.00 H new ATOM 824 N ALA A 837 -4.604 -15.170 14.146 1.00 0.00 N ATOM 825 CA ALA A 837 -5.668 -14.934 15.114 1.00 0.00 C ATOM 826 C ALA A 837 -6.503 -13.718 14.725 1.00 0.00 C ATOM 827 O ALA A 837 -7.590 -13.503 15.259 1.00 0.00 O ATOM 828 CB ALA A 837 -5.084 -14.751 16.507 1.00 0.00 C ATOM 0 H ALA A 837 -3.742 -14.659 14.335 1.00 0.00 H new ATOM 0 HA ALA A 837 -6.322 -15.806 15.118 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -5.890 -14.576 17.219 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -4.536 -15.649 16.793 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -4.407 -13.897 16.508 1.00 0.00 H new ATOM 834 N GLY A 838 -5.987 -12.926 13.790 1.00 0.00 N ATOM 835 CA GLY A 838 -6.698 -11.741 13.346 1.00 0.00 C ATOM 836 C GLY A 838 -6.084 -10.462 13.880 1.00 0.00 C ATOM 837 O GLY A 838 -6.621 -9.373 13.673 1.00 0.00 O ATOM 0 H GLY A 838 -5.089 -13.084 13.332 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -6.703 -11.711 12.256 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -7.738 -11.803 13.668 1.00 0.00 H new ATOM 841 N LYS A 839 -4.956 -10.593 14.570 1.00 0.00 N ATOM 842 CA LYS A 839 -4.267 -9.439 15.135 1.00 0.00 C ATOM 843 C LYS A 839 -3.502 -8.679 14.057 1.00 0.00 C ATOM 844 O LYS A 839 -2.942 -9.265 13.130 1.00 0.00 O ATOM 845 CB LYS A 839 -3.306 -9.884 16.240 1.00 0.00 C ATOM 846 CG LYS A 839 -4.007 -10.418 17.477 1.00 0.00 C ATOM 847 CD LYS A 839 -4.309 -9.309 18.470 1.00 0.00 C ATOM 848 CE LYS A 839 -3.055 -8.860 19.203 1.00 0.00 C ATOM 849 NZ LYS A 839 -3.369 -8.297 20.546 1.00 0.00 N ATOM 0 H LYS A 839 -4.500 -11.487 14.751 1.00 0.00 H new ATOM 0 HA LYS A 839 -5.017 -8.772 15.560 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -2.645 -10.656 15.846 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -2.677 -9.040 16.525 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -4.935 -10.910 17.186 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -3.382 -11.173 17.953 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -4.749 -8.460 17.946 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -5.048 -9.657 19.191 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -2.376 -9.706 19.313 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -2.535 -8.110 18.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -2.488 -8.003 21.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -3.996 -7.474 20.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -3.842 -9.021 21.124 1.00 0.00 H new ATOM 863 N PRO A 840 -3.474 -7.344 14.179 1.00 0.00 N ATOM 864 CA PRO A 840 -2.778 -6.476 13.224 1.00 0.00 C ATOM 865 C PRO A 840 -1.262 -6.613 13.313 1.00 0.00 C ATOM 866 O PRO A 840 -0.696 -6.660 14.405 1.00 0.00 O ATOM 867 CB PRO A 840 -3.213 -5.069 13.641 1.00 0.00 C ATOM 868 CG PRO A 840 -3.561 -5.192 15.085 1.00 0.00 C ATOM 869 CD PRO A 840 -4.119 -6.578 15.258 1.00 0.00 C ATOM 0 HA PRO A 840 -3.025 -6.725 12.192 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -2.413 -4.345 13.487 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.067 -4.729 13.056 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -2.682 -5.044 15.713 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -4.292 -4.438 15.376 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -3.880 -6.988 16.239 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -5.205 -6.588 15.164 1.00 0.00 H new ATOM 877 N LYS A 841 -0.610 -6.677 12.158 1.00 0.00 N ATOM 878 CA LYS A 841 0.842 -6.808 12.104 1.00 0.00 C ATOM 879 C LYS A 841 1.492 -5.490 11.694 1.00 0.00 C ATOM 880 O LYS A 841 2.701 -5.312 11.837 1.00 0.00 O ATOM 881 CB LYS A 841 1.239 -7.912 11.123 1.00 0.00 C ATOM 882 CG LYS A 841 0.646 -9.269 11.461 1.00 0.00 C ATOM 883 CD LYS A 841 0.493 -10.135 10.221 1.00 0.00 C ATOM 884 CE LYS A 841 1.836 -10.665 9.742 1.00 0.00 C ATOM 885 NZ LYS A 841 2.659 -9.598 9.108 1.00 0.00 N ATOM 0 H LYS A 841 -1.064 -6.640 11.245 1.00 0.00 H new ATOM 0 HA LYS A 841 1.195 -7.073 13.101 1.00 0.00 H new ATOM 0 HB2 LYS A 841 0.922 -7.626 10.120 1.00 0.00 H new ATOM 0 HB3 LYS A 841 2.326 -7.995 11.103 1.00 0.00 H new ATOM 0 HG2 LYS A 841 1.285 -9.776 12.184 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -0.327 -9.134 11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 841 -0.172 -10.970 10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 841 0.025 -9.554 9.426 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.380 -11.091 10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 841 1.674 -11.472 9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 3.171 -9.993 8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 2.040 -8.827 8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 3.342 -9.229 9.800 1.00 0.00 H new ATOM 899 N GLY A 842 0.680 -4.568 11.186 1.00 0.00 N ATOM 900 CA GLY A 842 1.195 -3.278 10.764 1.00 0.00 C ATOM 901 C GLY A 842 1.254 -3.142 9.256 1.00 0.00 C ATOM 902 O GLY A 842 1.234 -2.031 8.724 1.00 0.00 O ATOM 0 H GLY A 842 -0.325 -4.691 11.059 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.565 -2.488 11.172 1.00 0.00 H new ATOM 0 HA3 GLY A 842 2.193 -3.136 11.178 1.00 0.00 H new ATOM 906 N LEU A 843 1.329 -4.273 8.564 1.00 0.00 N ATOM 907 CA LEU A 843 1.393 -4.276 7.107 1.00 0.00 C ATOM 908 C LEU A 843 -0.002 -4.170 6.500 1.00 0.00 C ATOM 909 O LEU A 843 -0.894 -4.951 6.830 1.00 0.00 O ATOM 910 CB LEU A 843 2.082 -5.548 6.609 1.00 0.00 C ATOM 911 CG LEU A 843 3.354 -5.958 7.354 1.00 0.00 C ATOM 912 CD1 LEU A 843 3.937 -7.228 6.756 1.00 0.00 C ATOM 913 CD2 LEU A 843 4.377 -4.832 7.321 1.00 0.00 C ATOM 0 H LEU A 843 1.347 -5.200 8.989 1.00 0.00 H new ATOM 0 HA LEU A 843 1.973 -3.409 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.369 -6.370 6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 843 2.329 -5.415 5.556 1.00 0.00 H new ATOM 0 HG LEU A 843 3.095 -6.157 8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 843 4.841 -7.504 7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 843 3.207 -8.034 6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 843 4.181 -7.058 5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 843 5.275 -5.141 7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 843 4.631 -4.602 6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 843 3.958 -3.946 7.797 1.00 0.00 H new ATOM 925 N ALA A 844 -0.182 -3.200 5.609 1.00 0.00 N ATOM 926 CA ALA A 844 -1.468 -2.995 4.953 1.00 0.00 C ATOM 927 C ALA A 844 -1.283 -2.671 3.474 1.00 0.00 C ATOM 928 O ALA A 844 -0.403 -1.895 3.104 1.00 0.00 O ATOM 929 CB ALA A 844 -2.243 -1.884 5.646 1.00 0.00 C ATOM 0 H ALA A 844 0.546 -2.544 5.325 1.00 0.00 H new ATOM 0 HA ALA A 844 -2.038 -3.921 5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -3.201 -1.742 5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -2.414 -2.155 6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -1.670 -0.958 5.602 1.00 0.00 H new ATOM 935 N TYR A 845 -2.118 -3.272 2.633 1.00 0.00 N ATOM 936 CA TYR A 845 -2.045 -3.049 1.194 1.00 0.00 C ATOM 937 C TYR A 845 -3.227 -2.215 0.711 1.00 0.00 C ATOM 938 O TYR A 845 -4.349 -2.366 1.196 1.00 0.00 O ATOM 939 CB TYR A 845 -2.013 -4.386 0.452 1.00 0.00 C ATOM 940 CG TYR A 845 -0.617 -4.925 0.235 1.00 0.00 C ATOM 941 CD1 TYR A 845 0.088 -5.520 1.274 1.00 0.00 C ATOM 942 CD2 TYR A 845 -0.004 -4.841 -1.009 1.00 0.00 C ATOM 943 CE1 TYR A 845 1.364 -6.013 1.080 1.00 0.00 C ATOM 944 CE2 TYR A 845 1.271 -5.333 -1.212 1.00 0.00 C ATOM 945 CZ TYR A 845 1.951 -5.917 -0.164 1.00 0.00 C ATOM 946 OH TYR A 845 3.221 -6.408 -0.361 1.00 0.00 O ATOM 0 H TYR A 845 -2.853 -3.917 2.923 1.00 0.00 H new ATOM 0 HA TYR A 845 -1.127 -2.501 0.983 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -2.593 -5.118 1.014 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -2.502 -4.267 -0.515 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -0.369 -5.598 2.249 1.00 0.00 H new ATOM 0 HD2 TYR A 845 -0.533 -4.383 -1.832 1.00 0.00 H new ATOM 0 HE1 TYR A 845 1.899 -6.471 1.899 1.00 0.00 H new ATOM 0 HE2 TYR A 845 1.732 -5.261 -2.186 1.00 0.00 H new ATOM 0 HH TYR A 845 3.487 -6.263 -1.293 1.00 0.00 H new ATOM 956 N VAL A 846 -2.967 -1.333 -0.249 1.00 0.00 N ATOM 957 CA VAL A 846 -4.009 -0.474 -0.801 1.00 0.00 C ATOM 958 C VAL A 846 -4.108 -0.634 -2.313 1.00 0.00 C ATOM 959 O VAL A 846 -3.122 -0.946 -2.980 1.00 0.00 O ATOM 960 CB VAL A 846 -3.750 1.007 -0.467 1.00 0.00 C ATOM 961 CG1 VAL A 846 -4.905 1.872 -0.946 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.523 1.185 1.026 1.00 0.00 C ATOM 0 H VAL A 846 -2.044 -1.194 -0.661 1.00 0.00 H new ATOM 0 HA VAL A 846 -4.949 -0.782 -0.344 1.00 0.00 H new ATOM 0 HB VAL A 846 -2.848 1.326 -0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.704 2.915 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -5.015 1.767 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -5.825 1.555 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.342 2.238 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.405 0.849 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -2.659 0.596 1.335 1.00 0.00 H new ATOM 972 N GLU A 847 -5.306 -0.416 -2.849 1.00 0.00 N ATOM 973 CA GLU A 847 -5.533 -0.537 -4.284 1.00 0.00 C ATOM 974 C GLU A 847 -6.325 0.657 -4.811 1.00 0.00 C ATOM 975 O GLU A 847 -7.514 0.802 -4.525 1.00 0.00 O ATOM 976 CB GLU A 847 -6.278 -1.836 -4.598 1.00 0.00 C ATOM 977 CG GLU A 847 -6.044 -2.346 -6.009 1.00 0.00 C ATOM 978 CD GLU A 847 -7.128 -3.300 -6.472 1.00 0.00 C ATOM 979 OE1 GLU A 847 -7.060 -4.494 -6.114 1.00 0.00 O ATOM 980 OE2 GLU A 847 -8.044 -2.852 -7.193 1.00 0.00 O ATOM 0 H GLU A 847 -6.133 -0.155 -2.311 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.562 -0.555 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -5.969 -2.603 -3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -7.346 -1.677 -4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -5.994 -1.499 -6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -5.078 -2.850 -6.054 1.00 0.00 H new ATOM 987 N TYR A 848 -5.658 1.508 -5.581 1.00 0.00 N ATOM 988 CA TYR A 848 -6.297 2.691 -6.146 1.00 0.00 C ATOM 989 C TYR A 848 -6.766 2.427 -7.574 1.00 0.00 C ATOM 990 O TYR A 848 -6.592 1.329 -8.102 1.00 0.00 O ATOM 991 CB TYR A 848 -5.332 3.877 -6.126 1.00 0.00 C ATOM 992 CG TYR A 848 -5.315 4.621 -4.809 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.668 4.093 -3.699 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.946 5.852 -4.676 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.651 4.769 -2.494 1.00 0.00 C ATOM 996 CE2 TYR A 848 -5.932 6.535 -3.476 1.00 0.00 C ATOM 997 CZ TYR A 848 -5.284 5.990 -2.388 1.00 0.00 C ATOM 998 OH TYR A 848 -5.269 6.667 -1.190 1.00 0.00 O ATOM 0 H TYR A 848 -4.674 1.401 -5.829 1.00 0.00 H new ATOM 0 HA TYR A 848 -7.167 2.929 -5.535 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -4.326 3.520 -6.345 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.605 4.570 -6.922 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -4.170 3.138 -3.779 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -6.456 6.282 -5.526 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -4.145 4.344 -1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -6.426 7.491 -3.390 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.877 7.434 -1.240 1.00 0.00 H new ATOM 1008 N GLU A 849 -7.361 3.443 -8.192 1.00 0.00 N ATOM 1009 CA GLU A 849 -7.855 3.321 -9.558 1.00 0.00 C ATOM 1010 C GLU A 849 -6.771 3.696 -10.564 1.00 0.00 C ATOM 1011 O GLU A 849 -6.529 2.974 -11.530 1.00 0.00 O ATOM 1012 CB GLU A 849 -9.084 4.210 -9.760 1.00 0.00 C ATOM 1013 CG GLU A 849 -9.715 4.073 -11.136 1.00 0.00 C ATOM 1014 CD GLU A 849 -8.825 4.606 -12.242 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -8.311 5.735 -12.097 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -8.642 3.894 -13.252 1.00 0.00 O ATOM 0 H GLU A 849 -7.512 4.359 -7.768 1.00 0.00 H new ATOM 0 HA GLU A 849 -8.136 2.281 -9.724 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.828 3.964 -9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.799 5.250 -9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -9.936 3.023 -11.327 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -10.665 4.607 -11.151 1.00 0.00 H new ATOM 1023 N ASN A 850 -6.122 4.832 -10.330 1.00 0.00 N ATOM 1024 CA ASN A 850 -5.064 5.305 -11.216 1.00 0.00 C ATOM 1025 C ASN A 850 -3.698 5.179 -10.548 1.00 0.00 C ATOM 1026 O ASN A 850 -3.605 4.997 -9.334 1.00 0.00 O ATOM 1027 CB ASN A 850 -5.317 6.760 -11.615 1.00 0.00 C ATOM 1028 CG ASN A 850 -4.506 7.177 -12.827 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -4.003 6.335 -13.570 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -4.375 8.483 -13.030 1.00 0.00 N ATOM 0 H ASN A 850 -6.310 5.442 -9.535 1.00 0.00 H new ATOM 0 HA ASN A 850 -5.069 4.684 -12.111 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -6.378 6.897 -11.826 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -5.073 7.412 -10.776 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -3.840 8.824 -13.829 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -4.810 9.145 -12.387 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.642 5.279 -11.349 1.00 0.00 N ATOM 1038 CA GLU A 851 -1.282 5.176 -10.835 1.00 0.00 C ATOM 1039 C GLU A 851 -0.856 6.476 -10.160 1.00 0.00 C ATOM 1040 O GLU A 851 -0.284 6.464 -9.070 1.00 0.00 O ATOM 1041 CB GLU A 851 -0.310 4.833 -11.966 1.00 0.00 C ATOM 1042 CG GLU A 851 -0.595 3.497 -12.630 1.00 0.00 C ATOM 1043 CD GLU A 851 0.097 3.352 -13.971 1.00 0.00 C ATOM 1044 OE1 GLU A 851 -0.349 3.996 -14.943 1.00 0.00 O ATOM 1045 OE2 GLU A 851 1.087 2.593 -14.048 1.00 0.00 O ATOM 0 H GLU A 851 -2.702 5.431 -12.356 1.00 0.00 H new ATOM 0 HA GLU A 851 -1.261 4.378 -10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 851 -0.351 5.620 -12.720 1.00 0.00 H new ATOM 0 HB3 GLU A 851 0.706 4.823 -11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 851 -0.272 2.692 -11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 851 -1.671 3.386 -12.767 1.00 0.00 H new ATOM 1052 N SER A 852 -1.138 7.597 -10.816 1.00 0.00 N ATOM 1053 CA SER A 852 -0.780 8.906 -10.282 1.00 0.00 C ATOM 1054 C SER A 852 -1.295 9.070 -8.856 1.00 0.00 C ATOM 1055 O SER A 852 -0.536 9.400 -7.945 1.00 0.00 O ATOM 1056 CB SER A 852 -1.346 10.015 -11.172 1.00 0.00 C ATOM 1057 OG SER A 852 -1.070 11.295 -10.630 1.00 0.00 O ATOM 0 H SER A 852 -1.613 7.625 -11.718 1.00 0.00 H new ATOM 0 HA SER A 852 0.307 8.981 -10.268 1.00 0.00 H new ATOM 0 HB2 SER A 852 -0.916 9.939 -12.171 1.00 0.00 H new ATOM 0 HB3 SER A 852 -2.423 9.886 -11.278 1.00 0.00 H new ATOM 0 HG SER A 852 -1.441 11.986 -11.218 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.591 8.838 -8.671 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.208 8.961 -7.355 1.00 0.00 C ATOM 1065 C GLN A 853 -2.414 8.189 -6.307 1.00 0.00 C ATOM 1066 O GLN A 853 -2.077 8.725 -5.251 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.650 8.453 -7.396 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.615 9.411 -8.075 1.00 0.00 C ATOM 1069 CD GLN A 853 -7.055 8.944 -7.996 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -7.891 9.579 -7.353 1.00 0.00 O ATOM 1071 NE2 GLN A 853 -7.352 7.829 -8.652 1.00 0.00 N ATOM 0 H GLN A 853 -3.233 8.564 -9.415 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.209 10.015 -7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.674 7.496 -7.917 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -4.991 8.269 -6.377 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -5.530 10.394 -7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.331 9.525 -9.121 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -6.627 7.335 -9.172 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -8.305 7.466 -8.636 1.00 0.00 H new ATOM 1080 N ALA A 854 -2.118 6.928 -6.605 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.362 6.084 -5.689 1.00 0.00 C ATOM 1082 C ALA A 854 -0.020 6.717 -5.340 1.00 0.00 C ATOM 1083 O ALA A 854 0.339 6.827 -4.167 1.00 0.00 O ATOM 1084 CB ALA A 854 -1.155 4.703 -6.294 1.00 0.00 C ATOM 0 H ALA A 854 -2.391 6.469 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.937 5.983 -4.768 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.589 4.083 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -2.123 4.241 -6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.604 4.795 -7.230 1.00 0.00 H new ATOM 1090 N SER A 855 0.718 7.132 -6.364 1.00 0.00 N ATOM 1091 CA SER A 855 2.024 7.751 -6.165 1.00 0.00 C ATOM 1092 C SER A 855 1.945 8.861 -5.122 1.00 0.00 C ATOM 1093 O SER A 855 2.640 8.823 -4.107 1.00 0.00 O ATOM 1094 CB SER A 855 2.552 8.313 -7.486 1.00 0.00 C ATOM 1095 OG SER A 855 3.890 8.761 -7.351 1.00 0.00 O ATOM 0 H SER A 855 0.434 7.051 -7.340 1.00 0.00 H new ATOM 0 HA SER A 855 2.711 6.985 -5.804 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.498 7.546 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 855 1.920 9.139 -7.812 1.00 0.00 H new ATOM 0 HG SER A 855 4.205 9.114 -8.209 1.00 0.00 H new ATOM 1101 N GLN A 856 1.094 9.849 -5.381 1.00 0.00 N ATOM 1102 CA GLN A 856 0.925 10.970 -4.465 1.00 0.00 C ATOM 1103 C GLN A 856 0.732 10.480 -3.033 1.00 0.00 C ATOM 1104 O GLN A 856 1.463 10.878 -2.127 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.269 11.827 -4.888 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.221 13.247 -4.349 1.00 0.00 C ATOM 1107 CD GLN A 856 0.503 14.200 -5.279 1.00 0.00 C ATOM 1108 OE1 GLN A 856 0.691 13.910 -6.461 1.00 0.00 O ATOM 1109 NE2 GLN A 856 0.915 15.346 -4.750 1.00 0.00 N ATOM 0 H GLN A 856 0.512 9.895 -6.217 1.00 0.00 H new ATOM 0 HA GLN A 856 1.830 11.576 -4.503 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.313 11.862 -5.977 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.187 11.349 -4.547 1.00 0.00 H new ATOM 0 HG2 GLN A 856 -1.238 13.605 -4.188 1.00 0.00 H new ATOM 0 HG3 GLN A 856 0.274 13.246 -3.378 1.00 0.00 H new ATOM 0 HE21 GLN A 856 0.738 15.546 -3.766 1.00 0.00 H new ATOM 0 HE22 GLN A 856 1.408 16.026 -5.328 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.257 9.614 -2.838 1.00 0.00 N ATOM 1119 CA ALA A 857 -0.545 9.069 -1.517 1.00 0.00 C ATOM 1120 C ALA A 857 0.707 8.469 -0.887 1.00 0.00 C ATOM 1121 O ALA A 857 0.862 8.472 0.335 1.00 0.00 O ATOM 1122 CB ALA A 857 -1.646 8.023 -1.607 1.00 0.00 C ATOM 0 H ALA A 857 -0.872 9.275 -3.578 1.00 0.00 H new ATOM 0 HA ALA A 857 -0.886 9.885 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -1.851 7.624 -0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.550 8.480 -2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.326 7.214 -2.264 1.00 0.00 H new ATOM 1128 N VAL A 858 1.598 7.953 -1.727 1.00 0.00 N ATOM 1129 CA VAL A 858 2.837 7.349 -1.251 1.00 0.00 C ATOM 1130 C VAL A 858 3.828 8.414 -0.795 1.00 0.00 C ATOM 1131 O VAL A 858 4.515 8.247 0.212 1.00 0.00 O ATOM 1132 CB VAL A 858 3.496 6.485 -2.343 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.811 5.905 -1.844 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.552 5.379 -2.789 1.00 0.00 C ATOM 0 H VAL A 858 1.485 7.941 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 858 2.575 6.714 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 858 3.709 7.119 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 858 5.262 5.298 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.489 6.716 -1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.626 5.285 -0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 858 3.034 4.779 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 858 2.306 4.745 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.639 5.819 -3.189 1.00 0.00 H new ATOM 1144 N MET A 859 3.896 9.510 -1.544 1.00 0.00 N ATOM 1145 CA MET A 859 4.802 10.605 -1.215 1.00 0.00 C ATOM 1146 C MET A 859 4.343 11.330 0.046 1.00 0.00 C ATOM 1147 O MET A 859 5.159 11.852 0.806 1.00 0.00 O ATOM 1148 CB MET A 859 4.890 11.590 -2.382 1.00 0.00 C ATOM 1149 CG MET A 859 5.933 11.211 -3.421 1.00 0.00 C ATOM 1150 SD MET A 859 6.555 12.637 -4.332 1.00 0.00 S ATOM 1151 CE MET A 859 8.271 12.173 -4.556 1.00 0.00 C ATOM 0 H MET A 859 3.335 9.664 -2.382 1.00 0.00 H new ATOM 0 HA MET A 859 5.790 10.184 -1.030 1.00 0.00 H new ATOM 0 HB2 MET A 859 3.915 11.656 -2.865 1.00 0.00 H new ATOM 0 HB3 MET A 859 5.121 12.582 -1.993 1.00 0.00 H new ATOM 0 HG2 MET A 859 6.765 10.708 -2.928 1.00 0.00 H new ATOM 0 HG3 MET A 859 5.500 10.498 -4.122 1.00 0.00 H new ATOM 0 HE1 MET A 859 8.791 12.958 -5.105 1.00 0.00 H new ATOM 0 HE2 MET A 859 8.742 12.039 -3.582 1.00 0.00 H new ATOM 0 HE3 MET A 859 8.325 11.240 -5.117 1.00 0.00 H new ATOM 1161 N LYS A 860 3.033 11.360 0.262 1.00 0.00 N ATOM 1162 CA LYS A 860 2.464 12.021 1.431 1.00 0.00 C ATOM 1163 C LYS A 860 2.479 11.092 2.641 1.00 0.00 C ATOM 1164 O LYS A 860 3.031 11.431 3.688 1.00 0.00 O ATOM 1165 CB LYS A 860 1.032 12.474 1.140 1.00 0.00 C ATOM 1166 CG LYS A 860 0.952 13.736 0.300 1.00 0.00 C ATOM 1167 CD LYS A 860 1.078 14.985 1.156 1.00 0.00 C ATOM 1168 CE LYS A 860 0.861 16.248 0.336 1.00 0.00 C ATOM 1169 NZ LYS A 860 1.866 16.379 -0.756 1.00 0.00 N ATOM 0 H LYS A 860 2.344 10.934 -0.358 1.00 0.00 H new ATOM 0 HA LYS A 860 3.075 12.895 1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.503 11.671 0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.514 12.643 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.744 13.726 -0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 860 0.004 13.757 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 860 0.350 14.947 1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 860 2.066 15.014 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -0.141 16.235 -0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 860 0.918 17.119 0.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 1.783 17.319 -1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 2.822 16.264 -0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 1.696 15.646 -1.474 1.00 0.00 H new ATOM 1183 N MET A 861 1.870 9.921 2.491 1.00 0.00 N ATOM 1184 CA MET A 861 1.817 8.943 3.571 1.00 0.00 C ATOM 1185 C MET A 861 3.220 8.570 4.037 1.00 0.00 C ATOM 1186 O MET A 861 3.490 8.506 5.236 1.00 0.00 O ATOM 1187 CB MET A 861 1.067 7.689 3.117 1.00 0.00 C ATOM 1188 CG MET A 861 -0.371 7.958 2.702 1.00 0.00 C ATOM 1189 SD MET A 861 -1.518 7.894 4.092 1.00 0.00 S ATOM 1190 CE MET A 861 -2.525 6.485 3.635 1.00 0.00 C ATOM 0 H MET A 861 1.406 9.626 1.632 1.00 0.00 H new ATOM 0 HA MET A 861 1.283 9.393 4.408 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.600 7.240 2.279 1.00 0.00 H new ATOM 0 HB3 MET A 861 1.073 6.959 3.927 1.00 0.00 H new ATOM 0 HG2 MET A 861 -0.432 8.939 2.231 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.672 7.225 1.953 1.00 0.00 H new ATOM 0 HE1 MET A 861 -3.284 6.317 4.399 1.00 0.00 H new ATOM 0 HE2 MET A 861 -3.010 6.679 2.678 1.00 0.00 H new ATOM 0 HE3 MET A 861 -1.895 5.600 3.549 1.00 0.00 H new ATOM 1200 N ASP A 862 4.110 8.324 3.081 1.00 0.00 N ATOM 1201 CA ASP A 862 5.486 7.957 3.394 1.00 0.00 C ATOM 1202 C ASP A 862 6.025 8.800 4.545 1.00 0.00 C ATOM 1203 O ASP A 862 6.268 9.996 4.392 1.00 0.00 O ATOM 1204 CB ASP A 862 6.375 8.129 2.161 1.00 0.00 C ATOM 1205 CG ASP A 862 7.846 8.216 2.515 1.00 0.00 C ATOM 1206 OD1 ASP A 862 8.258 9.247 3.087 1.00 0.00 O ATOM 1207 OD2 ASP A 862 8.586 7.254 2.219 1.00 0.00 O ATOM 0 H ASP A 862 3.903 8.372 2.083 1.00 0.00 H new ATOM 0 HA ASP A 862 5.496 6.910 3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 862 6.217 7.291 1.483 1.00 0.00 H new ATOM 0 HB3 ASP A 862 6.079 9.032 1.626 1.00 0.00 H new ATOM 1212 N GLY A 863 6.208 8.167 5.700 1.00 0.00 N ATOM 1213 CA GLY A 863 6.715 8.874 6.862 1.00 0.00 C ATOM 1214 C GLY A 863 5.705 9.849 7.434 1.00 0.00 C ATOM 1215 O GLY A 863 6.036 10.999 7.722 1.00 0.00 O ATOM 0 H GLY A 863 6.014 7.177 5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 863 6.993 8.152 7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.622 9.414 6.588 1.00 0.00 H new ATOM 1219 N MET A 864 4.468 9.390 7.597 1.00 0.00 N ATOM 1220 CA MET A 864 3.406 10.230 8.138 1.00 0.00 C ATOM 1221 C MET A 864 3.060 9.817 9.565 1.00 0.00 C ATOM 1222 O MET A 864 3.274 8.671 9.960 1.00 0.00 O ATOM 1223 CB MET A 864 2.160 10.147 7.254 1.00 0.00 C ATOM 1224 CG MET A 864 1.416 8.828 7.376 1.00 0.00 C ATOM 1225 SD MET A 864 -0.324 8.968 6.922 1.00 0.00 S ATOM 1226 CE MET A 864 -0.831 10.347 7.946 1.00 0.00 C ATOM 0 H MET A 864 4.177 8.441 7.362 1.00 0.00 H new ATOM 0 HA MET A 864 3.764 11.260 8.153 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.484 10.961 7.515 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.452 10.296 6.214 1.00 0.00 H new ATOM 0 HG2 MET A 864 1.895 8.085 6.739 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.492 8.466 8.401 1.00 0.00 H new ATOM 0 HE1 MET A 864 -1.801 10.131 8.393 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.095 10.505 8.734 1.00 0.00 H new ATOM 0 HE3 MET A 864 -0.906 11.246 7.334 1.00 0.00 H new ATOM 1236 N THR A 865 2.524 10.759 10.335 1.00 0.00 N ATOM 1237 CA THR A 865 2.150 10.493 11.718 1.00 0.00 C ATOM 1238 C THR A 865 0.695 10.049 11.819 1.00 0.00 C ATOM 1239 O THR A 865 -0.189 10.642 11.200 1.00 0.00 O ATOM 1240 CB THR A 865 2.357 11.736 12.605 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.540 12.435 12.201 1.00 0.00 O ATOM 1242 CG2 THR A 865 2.470 11.342 14.070 1.00 0.00 C ATOM 0 H THR A 865 2.339 11.713 10.024 1.00 0.00 H new ATOM 0 HA THR A 865 2.798 9.691 12.071 1.00 0.00 H new ATOM 0 HB THR A 865 1.492 12.388 12.486 1.00 0.00 H new ATOM 0 HG1 THR A 865 3.663 13.224 12.768 1.00 0.00 H new ATOM 0 HG21 THR A 865 2.616 12.236 14.677 1.00 0.00 H new ATOM 0 HG22 THR A 865 1.556 10.836 14.382 1.00 0.00 H new ATOM 0 HG23 THR A 865 3.319 10.671 14.202 1.00 0.00 H new ATOM 1250 N ILE A 866 0.454 9.002 12.601 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.895 8.480 12.783 1.00 0.00 C ATOM 1252 C ILE A 866 -1.069 7.879 14.174 1.00 0.00 C ATOM 1253 O ILE A 866 -0.533 6.811 14.473 1.00 0.00 O ATOM 1254 CB ILE A 866 -1.231 7.410 11.728 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -1.429 8.059 10.357 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.474 6.634 12.137 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -1.489 7.062 9.220 1.00 0.00 C ATOM 0 H ILE A 866 1.175 8.499 13.118 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.578 9.322 12.666 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.396 6.712 11.662 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -2.351 8.640 10.369 1.00 0.00 H new ATOM 0 HG13 ILE A 866 -0.613 8.758 10.174 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.698 5.882 11.381 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -2.299 6.145 13.095 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -3.317 7.319 12.228 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -1.631 7.592 8.278 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.558 6.497 9.182 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -2.322 6.377 9.380 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.823 8.571 15.021 1.00 0.00 N ATOM 1270 CA LYS A 867 -2.072 8.105 16.380 1.00 0.00 C ATOM 1271 C LYS A 867 -0.773 8.037 17.178 1.00 0.00 C ATOM 1272 O LYS A 867 -0.608 7.172 18.037 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.740 6.729 16.356 1.00 0.00 C ATOM 1274 CG LYS A 867 -3.892 6.630 15.370 1.00 0.00 C ATOM 1275 CD LYS A 867 -5.212 7.020 16.014 1.00 0.00 C ATOM 1276 CE LYS A 867 -5.888 5.825 16.668 1.00 0.00 C ATOM 1277 NZ LYS A 867 -7.229 6.176 17.212 1.00 0.00 N ATOM 0 H LYS A 867 -2.273 9.457 14.790 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.740 8.817 16.865 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -1.993 5.976 16.106 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -3.107 6.495 17.355 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -3.697 7.278 14.515 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -3.959 5.611 14.989 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -5.039 7.795 16.761 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -5.874 7.446 15.260 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -5.991 5.022 15.938 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -5.257 5.446 17.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -7.657 5.335 17.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -7.129 6.925 17.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -7.839 6.513 16.440 1.00 0.00 H new ATOM 1291 N GLU A 868 0.143 8.955 16.888 1.00 0.00 N ATOM 1292 CA GLU A 868 1.426 8.998 17.580 1.00 0.00 C ATOM 1293 C GLU A 868 2.321 7.843 17.139 1.00 0.00 C ATOM 1294 O GLU A 868 2.920 7.158 17.967 1.00 0.00 O ATOM 1295 CB GLU A 868 1.216 8.946 19.094 1.00 0.00 C ATOM 1296 CG GLU A 868 2.298 9.664 19.884 1.00 0.00 C ATOM 1297 CD GLU A 868 2.209 11.172 19.757 1.00 0.00 C ATOM 1298 OE1 GLU A 868 1.173 11.741 20.160 1.00 0.00 O ATOM 1299 OE2 GLU A 868 3.175 11.783 19.256 1.00 0.00 O ATOM 0 H GLU A 868 0.021 9.678 16.179 1.00 0.00 H new ATOM 0 HA GLU A 868 1.918 9.935 17.321 1.00 0.00 H new ATOM 0 HB2 GLU A 868 0.249 9.388 19.334 1.00 0.00 H new ATOM 0 HB3 GLU A 868 1.177 7.904 19.411 1.00 0.00 H new ATOM 0 HG2 GLU A 868 2.220 9.386 20.935 1.00 0.00 H new ATOM 0 HG3 GLU A 868 3.277 9.331 19.538 1.00 0.00 H new ATOM 1306 N ASN A 869 2.404 7.632 15.830 1.00 0.00 N ATOM 1307 CA ASN A 869 3.224 6.560 15.278 1.00 0.00 C ATOM 1308 C ASN A 869 3.570 6.835 13.818 1.00 0.00 C ATOM 1309 O ASN A 869 2.709 6.766 12.942 1.00 0.00 O ATOM 1310 CB ASN A 869 2.494 5.220 15.397 1.00 0.00 C ATOM 1311 CG ASN A 869 3.430 4.036 15.243 1.00 0.00 C ATOM 1312 OD1 ASN A 869 4.186 3.951 14.275 1.00 0.00 O ATOM 1313 ND2 ASN A 869 3.382 3.116 16.199 1.00 0.00 N ATOM 0 H ASN A 869 1.913 8.190 15.131 1.00 0.00 H new ATOM 0 HA ASN A 869 4.151 6.514 15.849 1.00 0.00 H new ATOM 0 HB2 ASN A 869 1.998 5.164 16.366 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.715 5.165 14.637 1.00 0.00 H new ATOM 0 HD21 ASN A 869 3.988 2.297 16.149 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.739 3.228 16.983 1.00 0.00 H new ATOM 1320 N ILE A 870 4.837 7.147 13.566 1.00 0.00 N ATOM 1321 CA ILE A 870 5.298 7.431 12.212 1.00 0.00 C ATOM 1322 C ILE A 870 5.221 6.188 11.333 1.00 0.00 C ATOM 1323 O ILE A 870 6.010 5.255 11.489 1.00 0.00 O ATOM 1324 CB ILE A 870 6.745 7.959 12.209 1.00 0.00 C ATOM 1325 CG1 ILE A 870 6.770 9.444 12.581 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.387 7.737 10.848 1.00 0.00 C ATOM 1327 CD1 ILE A 870 6.345 9.717 14.007 1.00 0.00 C ATOM 0 H ILE A 870 5.562 7.210 14.281 1.00 0.00 H new ATOM 0 HA ILE A 870 4.638 8.200 11.809 1.00 0.00 H new ATOM 0 HB ILE A 870 7.319 7.408 12.954 1.00 0.00 H new ATOM 0 HG12 ILE A 870 7.778 9.831 12.430 1.00 0.00 H new ATOM 0 HG13 ILE A 870 6.114 9.991 11.904 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.409 8.115 10.862 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.398 6.671 10.620 1.00 0.00 H new ATOM 0 HG23 ILE A 870 6.815 8.265 10.085 1.00 0.00 H new ATOM 0 HD11 ILE A 870 6.387 10.789 14.200 1.00 0.00 H new ATOM 0 HD12 ILE A 870 5.326 9.361 14.157 1.00 0.00 H new ATOM 0 HD13 ILE A 870 7.016 9.198 14.692 1.00 0.00 H new ATOM 1339 N ILE A 871 4.267 6.182 10.408 1.00 0.00 N ATOM 1340 CA ILE A 871 4.089 5.055 9.502 1.00 0.00 C ATOM 1341 C ILE A 871 4.854 5.270 8.200 1.00 0.00 C ATOM 1342 O ILE A 871 4.888 6.377 7.662 1.00 0.00 O ATOM 1343 CB ILE A 871 2.601 4.823 9.177 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.126 5.819 8.117 1.00 0.00 C ATOM 1345 CG2 ILE A 871 1.759 4.942 10.439 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.531 5.443 6.710 1.00 0.00 C ATOM 0 H ILE A 871 3.605 6.945 10.267 1.00 0.00 H new ATOM 0 HA ILE A 871 4.483 4.176 10.012 1.00 0.00 H new ATOM 0 HB ILE A 871 2.484 3.815 8.779 1.00 0.00 H new ATOM 0 HG12 ILE A 871 1.040 5.898 8.165 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.528 6.805 8.351 1.00 0.00 H new ATOM 0 HG21 ILE A 871 0.710 4.776 10.194 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.084 4.197 11.165 1.00 0.00 H new ATOM 0 HG23 ILE A 871 1.879 5.939 10.864 1.00 0.00 H new ATOM 0 HD11 ILE A 871 2.160 6.194 6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.618 5.393 6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 871 2.107 4.471 6.457 1.00 0.00 H new ATOM 1358 N LYS A 872 5.466 4.203 7.698 1.00 0.00 N ATOM 1359 CA LYS A 872 6.229 4.272 6.457 1.00 0.00 C ATOM 1360 C LYS A 872 5.450 3.647 5.304 1.00 0.00 C ATOM 1361 O LYS A 872 4.768 2.637 5.477 1.00 0.00 O ATOM 1362 CB LYS A 872 7.575 3.562 6.622 1.00 0.00 C ATOM 1363 CG LYS A 872 8.393 3.505 5.343 1.00 0.00 C ATOM 1364 CD LYS A 872 9.862 3.250 5.632 1.00 0.00 C ATOM 1365 CE LYS A 872 10.749 3.770 4.511 1.00 0.00 C ATOM 1366 NZ LYS A 872 10.871 5.254 4.544 1.00 0.00 N ATOM 0 H LYS A 872 5.449 3.280 8.131 1.00 0.00 H new ATOM 0 HA LYS A 872 6.405 5.322 6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 872 8.154 4.073 7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.400 2.546 6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 872 8.006 2.717 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 872 8.286 4.444 4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 872 10.138 3.732 6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 872 10.028 2.181 5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 872 11.739 3.322 4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 872 10.339 3.461 3.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 11.633 5.554 3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 9.974 5.683 4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 11.091 5.563 5.512 1.00 0.00 H new ATOM 1380 N VAL A 873 5.558 4.253 4.126 1.00 0.00 N ATOM 1381 CA VAL A 873 4.866 3.755 2.943 1.00 0.00 C ATOM 1382 C VAL A 873 5.854 3.382 1.844 1.00 0.00 C ATOM 1383 O VAL A 873 6.976 3.887 1.806 1.00 0.00 O ATOM 1384 CB VAL A 873 3.872 4.795 2.394 1.00 0.00 C ATOM 1385 CG1 VAL A 873 3.149 4.250 1.172 1.00 0.00 C ATOM 1386 CG2 VAL A 873 2.880 5.206 3.472 1.00 0.00 C ATOM 0 H VAL A 873 6.118 5.090 3.965 1.00 0.00 H new ATOM 0 HA VAL A 873 4.316 2.865 3.250 1.00 0.00 H new ATOM 0 HB VAL A 873 4.431 5.680 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 873 2.451 4.999 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 873 3.876 4.012 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.601 3.348 1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 873 2.185 5.941 3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.325 4.330 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.418 5.641 4.314 1.00 0.00 H new ATOM 1396 N ALA A 874 5.430 2.495 0.950 1.00 0.00 N ATOM 1397 CA ALA A 874 6.277 2.056 -0.152 1.00 0.00 C ATOM 1398 C ALA A 874 5.441 1.495 -1.297 1.00 0.00 C ATOM 1399 O ALA A 874 4.356 0.956 -1.079 1.00 0.00 O ATOM 1400 CB ALA A 874 7.277 1.016 0.333 1.00 0.00 C ATOM 0 H ALA A 874 4.505 2.066 0.967 1.00 0.00 H new ATOM 0 HA ALA A 874 6.823 2.922 -0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 874 7.903 0.697 -0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 874 7.904 1.449 1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 874 6.741 0.156 0.735 1.00 0.00 H new ATOM 1406 N ILE A 875 5.953 1.625 -2.516 1.00 0.00 N ATOM 1407 CA ILE A 875 5.253 1.131 -3.695 1.00 0.00 C ATOM 1408 C ILE A 875 5.253 -0.393 -3.735 1.00 0.00 C ATOM 1409 O ILE A 875 6.307 -1.022 -3.828 1.00 0.00 O ATOM 1410 CB ILE A 875 5.886 1.668 -4.992 1.00 0.00 C ATOM 1411 CG1 ILE A 875 5.970 3.195 -4.951 1.00 0.00 C ATOM 1412 CG2 ILE A 875 5.086 1.208 -6.202 1.00 0.00 C ATOM 1413 CD1 ILE A 875 4.637 3.867 -4.707 1.00 0.00 C ATOM 0 H ILE A 875 6.850 2.068 -2.713 1.00 0.00 H new ATOM 0 HA ILE A 875 4.226 1.490 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 875 6.897 1.270 -5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 875 6.666 3.492 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 875 6.381 3.554 -5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.546 1.596 -7.111 1.00 0.00 H new ATOM 0 HG22 ILE A 875 5.074 0.119 -6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 875 4.064 1.580 -6.125 1.00 0.00 H new ATOM 0 HD11 ILE A 875 4.772 4.948 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 875 3.944 3.600 -5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 875 4.233 3.537 -3.750 1.00 0.00 H new ATOM 1425 N SER A 876 4.063 -0.982 -3.667 1.00 0.00 N ATOM 1426 CA SER A 876 3.926 -2.433 -3.694 1.00 0.00 C ATOM 1427 C SER A 876 4.617 -3.022 -4.920 1.00 0.00 C ATOM 1428 O SER A 876 4.056 -3.037 -6.015 1.00 0.00 O ATOM 1429 CB SER A 876 2.447 -2.827 -3.690 1.00 0.00 C ATOM 1430 OG SER A 876 1.958 -2.959 -2.366 1.00 0.00 O ATOM 0 H SER A 876 3.180 -0.476 -3.593 1.00 0.00 H new ATOM 0 HA SER A 876 4.405 -2.835 -2.801 1.00 0.00 H new ATOM 0 HB2 SER A 876 1.865 -2.074 -4.222 1.00 0.00 H new ATOM 0 HB3 SER A 876 2.317 -3.768 -4.225 1.00 0.00 H new ATOM 0 HG SER A 876 1.261 -3.648 -2.342 1.00 0.00 H new