USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=20 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= -4.04! C(o=-4!,f=-5.6!) USER MOD Set 2.1: A 821 CYS SG : rot 75:sc= 0.0598 USER MOD Set 2.2: A 861 MET CE :methyl -169:sc= -0.146 (180deg=0) USER MOD Single : A 801 HIS : no HD1:sc= -1.75 K(o=-1.7,f=-3.2!) USER MOD Single : A 802 LYS NZ :NH3+ 180: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=-0.00715 USER MOD Single : A 813 THR OG1 : rot 180:sc=-0.00216 USER MOD Single : A 814 LYS NZ :NH3+ -141:sc= 0.616 (180deg=-0.0214) USER MOD Single : A 822 LYS NZ :NH3+ -143:sc=-0.00475 (180deg=-1.25) USER MOD Single : A 824 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.13) USER MOD Single : A 828 LYS NZ :NH3+ -115:sc= -1.41 (180deg=-3.83!) USER MOD Single : A 834 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -1.19 K(o=-1.2,f=-3.6!) USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 841 LYS NZ :NH3+ 164:sc=-0.00548 (180deg=-0.158) USER MOD Single : A 845 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 TYR OH : rot -141:sc= 1.23 USER MOD Single : A 850 ASN : amide:sc= -0.0223 K(o=-0.022,f=-1.3) 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 X(o=0,f=0) USER MOD Single : A 859 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 860 LYS NZ :NH3+ 161:sc= -0.0357 (180deg=-0.304) USER MOD Single : A 864 MET CE :methyl -128:sc= -0.306 (180deg=-4.72!) 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= -0.0309 K(o=-0.031,f=-1.2) USER MOD Single : A 872 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 876 SER OG : rot -168:sc= 0.0719 USER MOD ----------------------------------------------------------------- ATOM 239 N HIS A 801 0.361 0.173 -9.107 1.00 0.00 N ATOM 240 CA HIS A 801 -0.738 0.898 -8.479 1.00 0.00 C ATOM 241 C HIS A 801 -0.843 0.548 -6.997 1.00 0.00 C ATOM 242 O HIS A 801 -1.016 1.426 -6.152 1.00 0.00 O ATOM 243 CB HIS A 801 -2.056 0.580 -9.184 1.00 0.00 C ATOM 244 CG HIS A 801 -2.475 -0.852 -9.055 1.00 0.00 C ATOM 245 ND1 HIS A 801 -1.808 -1.890 -9.672 1.00 0.00 N ATOM 246 CD2 HIS A 801 -3.499 -1.417 -8.373 1.00 0.00 C ATOM 247 CE1 HIS A 801 -2.404 -3.031 -9.376 1.00 0.00 C ATOM 248 NE2 HIS A 801 -3.433 -2.772 -8.589 1.00 0.00 N ATOM 0 HA HIS A 801 -0.535 1.965 -8.569 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -2.840 1.217 -8.775 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -1.962 0.828 -10.241 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -4.231 -0.899 -7.771 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -2.102 -4.009 -9.719 1.00 0.00 H new ATOM 0 HE2 HIS A 801 -4.074 -3.466 -8.204 1.00 0.00 H new ATOM 256 N LYS A 802 -0.737 -0.740 -6.690 1.00 0.00 N ATOM 257 CA LYS A 802 -0.820 -1.208 -5.311 1.00 0.00 C ATOM 258 C LYS A 802 0.191 -0.481 -4.429 1.00 0.00 C ATOM 259 O LYS A 802 1.264 -0.089 -4.890 1.00 0.00 O ATOM 260 CB LYS A 802 -0.576 -2.717 -5.247 1.00 0.00 C ATOM 261 CG LYS A 802 -1.776 -3.546 -5.670 1.00 0.00 C ATOM 262 CD LYS A 802 -1.398 -5.000 -5.898 1.00 0.00 C ATOM 263 CE LYS A 802 -2.615 -5.910 -5.824 1.00 0.00 C ATOM 264 NZ LYS A 802 -2.294 -7.300 -6.252 1.00 0.00 N ATOM 0 H LYS A 802 -0.593 -1.479 -7.378 1.00 0.00 H new ATOM 0 HA LYS A 802 -1.822 -0.992 -4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 802 0.271 -2.967 -5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -0.298 -2.989 -4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -2.549 -3.486 -4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -2.201 -3.132 -6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -0.923 -5.105 -6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -0.666 -5.308 -5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -2.997 -5.923 -4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -3.407 -5.509 -6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -3.149 -7.889 -6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -1.953 -7.291 -7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -1.556 -7.692 -5.633 1.00 0.00 H new ATOM 278 N LEU A 803 -0.158 -0.305 -3.159 1.00 0.00 N ATOM 279 CA LEU A 803 0.719 0.373 -2.212 1.00 0.00 C ATOM 280 C LEU A 803 0.935 -0.477 -0.964 1.00 0.00 C ATOM 281 O LEU A 803 0.064 -1.254 -0.572 1.00 0.00 O ATOM 282 CB LEU A 803 0.131 1.730 -1.823 1.00 0.00 C ATOM 283 CG LEU A 803 -0.463 2.556 -2.964 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.420 3.606 -2.422 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.643 3.211 -3.780 1.00 0.00 C ATOM 0 H LEU A 803 -1.042 -0.623 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 803 1.684 0.527 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -0.646 1.566 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 803 0.913 2.319 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 803 -1.023 1.887 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -1.833 4.184 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -2.230 3.116 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -0.884 4.272 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 803 0.202 3.795 -4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.230 3.867 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 803 1.290 2.441 -4.200 1.00 0.00 H new ATOM 297 N PHE A 804 2.099 -0.323 -0.343 1.00 0.00 N ATOM 298 CA PHE A 804 2.429 -1.076 0.862 1.00 0.00 C ATOM 299 C PHE A 804 2.788 -0.137 2.009 1.00 0.00 C ATOM 300 O PHE A 804 3.633 0.747 1.860 1.00 0.00 O ATOM 301 CB PHE A 804 3.591 -2.034 0.589 1.00 0.00 C ATOM 302 CG PHE A 804 4.179 -2.633 1.834 1.00 0.00 C ATOM 303 CD1 PHE A 804 3.591 -3.735 2.433 1.00 0.00 C ATOM 304 CD2 PHE A 804 5.320 -2.093 2.406 1.00 0.00 C ATOM 305 CE1 PHE A 804 4.130 -4.289 3.579 1.00 0.00 C ATOM 306 CE2 PHE A 804 5.864 -2.643 3.551 1.00 0.00 C ATOM 307 CZ PHE A 804 5.268 -3.742 4.139 1.00 0.00 C ATOM 0 H PHE A 804 2.830 0.317 -0.654 1.00 0.00 H new ATOM 0 HA PHE A 804 1.551 -1.654 1.150 1.00 0.00 H new ATOM 0 HB2 PHE A 804 3.244 -2.837 -0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.372 -1.500 0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 804 2.701 -4.166 1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 804 5.789 -1.233 1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 804 3.662 -5.148 4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 804 6.755 -2.214 3.986 1.00 0.00 H new ATOM 0 HZ PHE A 804 5.691 -4.172 5.035 1.00 0.00 H new ATOM 317 N ILE A 805 2.141 -0.334 3.152 1.00 0.00 N ATOM 318 CA ILE A 805 2.392 0.495 4.325 1.00 0.00 C ATOM 319 C ILE A 805 2.759 -0.359 5.534 1.00 0.00 C ATOM 320 O ILE A 805 1.997 -1.236 5.941 1.00 0.00 O ATOM 321 CB ILE A 805 1.168 1.361 4.675 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.563 1.965 3.406 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.557 2.457 5.655 1.00 0.00 C ATOM 324 CD1 ILE A 805 -0.505 3.001 3.679 1.00 0.00 C ATOM 0 H ILE A 805 1.439 -1.061 3.291 1.00 0.00 H new ATOM 0 HA ILE A 805 3.229 1.147 4.076 1.00 0.00 H new ATOM 0 HB ILE A 805 0.417 0.728 5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 805 1.358 2.421 2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 805 0.136 1.165 2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 805 0.681 3.060 5.892 1.00 0.00 H new ATOM 0 HG22 ILE A 805 1.946 2.007 6.568 1.00 0.00 H new ATOM 0 HG23 ILE A 805 2.323 3.090 5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -0.889 3.386 2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.319 2.545 4.242 1.00 0.00 H new ATOM 0 HD13 ILE A 805 -0.078 3.820 4.258 1.00 0.00 H new ATOM 336 N SER A 806 3.930 -0.096 6.104 1.00 0.00 N ATOM 337 CA SER A 806 4.399 -0.842 7.266 1.00 0.00 C ATOM 338 C SER A 806 4.602 0.084 8.461 1.00 0.00 C ATOM 339 O SER A 806 4.762 1.294 8.303 1.00 0.00 O ATOM 340 CB SER A 806 5.707 -1.566 6.939 1.00 0.00 C ATOM 341 OG SER A 806 6.733 -0.644 6.614 1.00 0.00 O ATOM 0 H SER A 806 4.572 0.628 5.780 1.00 0.00 H new ATOM 0 HA SER A 806 3.639 -1.579 7.525 1.00 0.00 H new ATOM 0 HB2 SER A 806 6.014 -2.171 7.792 1.00 0.00 H new ATOM 0 HB3 SER A 806 5.549 -2.249 6.104 1.00 0.00 H new ATOM 0 HG SER A 806 7.559 -1.131 6.411 1.00 0.00 H new ATOM 347 N GLY A 807 4.595 -0.494 9.658 1.00 0.00 N ATOM 348 CA GLY A 807 4.779 0.294 10.863 1.00 0.00 C ATOM 349 C GLY A 807 3.519 1.028 11.274 1.00 0.00 C ATOM 350 O GLY A 807 3.546 2.235 11.519 1.00 0.00 O ATOM 0 H GLY A 807 4.465 -1.493 9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 807 5.096 -0.359 11.676 1.00 0.00 H new ATOM 0 HA3 GLY A 807 5.580 1.016 10.703 1.00 0.00 H new ATOM 354 N LEU A 808 2.409 0.301 11.347 1.00 0.00 N ATOM 355 CA LEU A 808 1.131 0.891 11.730 1.00 0.00 C ATOM 356 C LEU A 808 0.689 0.390 13.101 1.00 0.00 C ATOM 357 O LEU A 808 0.905 -0.765 13.467 1.00 0.00 O ATOM 358 CB LEU A 808 0.063 0.563 10.685 1.00 0.00 C ATOM 359 CG LEU A 808 0.150 1.338 9.370 1.00 0.00 C ATOM 360 CD1 LEU A 808 -0.609 0.611 8.271 1.00 0.00 C ATOM 361 CD2 LEU A 808 -0.386 2.751 9.547 1.00 0.00 C ATOM 0 H LEU A 808 2.368 -0.698 11.146 1.00 0.00 H new ATOM 0 HA LEU A 808 1.259 1.972 11.783 1.00 0.00 H new ATOM 0 HB2 LEU A 808 0.118 -0.502 10.460 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -0.917 0.745 11.127 1.00 0.00 H new ATOM 0 HG LEU A 808 1.198 1.403 9.077 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -0.536 1.177 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -0.179 -0.380 8.126 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -1.657 0.514 8.555 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -0.316 3.288 8.601 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -1.428 2.708 9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 808 0.202 3.271 10.303 1.00 0.00 H new ATOM 373 N PRO A 809 0.052 1.279 13.878 1.00 0.00 N ATOM 374 CA PRO A 809 -0.437 0.949 15.220 1.00 0.00 C ATOM 375 C PRO A 809 -1.618 -0.015 15.186 1.00 0.00 C ATOM 376 O PRO A 809 -2.606 0.221 14.490 1.00 0.00 O ATOM 377 CB PRO A 809 -0.870 2.305 15.783 1.00 0.00 C ATOM 378 CG PRO A 809 -1.186 3.130 14.583 1.00 0.00 C ATOM 379 CD PRO A 809 -0.240 2.673 13.507 1.00 0.00 C ATOM 0 HA PRO A 809 0.323 0.446 15.818 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -1.738 2.204 16.434 1.00 0.00 H new ATOM 0 HB3 PRO A 809 -0.077 2.758 16.377 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -2.223 2.992 14.276 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -1.055 4.191 14.793 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -0.694 2.739 12.518 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.665 3.280 13.483 1.00 0.00 H new ATOM 387 N PHE A 810 -1.511 -1.102 15.943 1.00 0.00 N ATOM 388 CA PHE A 810 -2.570 -2.103 15.998 1.00 0.00 C ATOM 389 C PHE A 810 -3.940 -1.439 16.103 1.00 0.00 C ATOM 390 O PHE A 810 -4.915 -1.908 15.515 1.00 0.00 O ATOM 391 CB PHE A 810 -2.353 -3.040 17.188 1.00 0.00 C ATOM 392 CG PHE A 810 -0.909 -3.373 17.434 1.00 0.00 C ATOM 393 CD1 PHE A 810 -0.235 -4.252 16.601 1.00 0.00 C ATOM 394 CD2 PHE A 810 -0.226 -2.807 18.498 1.00 0.00 C ATOM 395 CE1 PHE A 810 1.094 -4.559 16.824 1.00 0.00 C ATOM 396 CE2 PHE A 810 1.103 -3.111 18.726 1.00 0.00 C ATOM 397 CZ PHE A 810 1.763 -3.989 17.888 1.00 0.00 C ATOM 0 H PHE A 810 -0.702 -1.312 16.527 1.00 0.00 H new ATOM 0 HA PHE A 810 -2.536 -2.683 15.076 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -2.769 -2.579 18.084 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -2.907 -3.963 17.019 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -0.754 -4.702 15.768 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -0.737 -2.121 19.157 1.00 0.00 H new ATOM 0 HE1 PHE A 810 1.608 -5.244 16.166 1.00 0.00 H new ATOM 0 HE2 PHE A 810 1.625 -2.663 19.558 1.00 0.00 H new ATOM 0 HZ PHE A 810 2.801 -4.229 18.065 1.00 0.00 H new ATOM 407 N SER A 811 -4.005 -0.346 16.856 1.00 0.00 N ATOM 408 CA SER A 811 -5.256 0.381 17.041 1.00 0.00 C ATOM 409 C SER A 811 -5.874 0.751 15.697 1.00 0.00 C ATOM 410 O SER A 811 -7.071 0.559 15.477 1.00 0.00 O ATOM 411 CB SER A 811 -5.018 1.644 17.871 1.00 0.00 C ATOM 412 OG SER A 811 -6.244 2.262 18.222 1.00 0.00 O ATOM 0 H SER A 811 -3.207 0.056 17.348 1.00 0.00 H new ATOM 0 HA SER A 811 -5.950 -0.270 17.573 1.00 0.00 H new ATOM 0 HB2 SER A 811 -4.463 1.390 18.774 1.00 0.00 H new ATOM 0 HB3 SER A 811 -4.403 2.344 17.306 1.00 0.00 H new ATOM 0 HG SER A 811 -6.065 3.066 18.753 1.00 0.00 H new ATOM 418 N CYS A 812 -5.050 1.282 14.800 1.00 0.00 N ATOM 419 CA CYS A 812 -5.515 1.681 13.476 1.00 0.00 C ATOM 420 C CYS A 812 -6.548 0.694 12.943 1.00 0.00 C ATOM 421 O CYS A 812 -6.439 -0.514 13.158 1.00 0.00 O ATOM 422 CB CYS A 812 -4.336 1.778 12.507 1.00 0.00 C ATOM 423 SG CYS A 812 -4.776 2.404 10.869 1.00 0.00 S ATOM 0 H CYS A 812 -4.057 1.446 14.965 1.00 0.00 H new ATOM 0 HA CYS A 812 -5.986 2.660 13.562 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -3.576 2.428 12.940 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -3.887 0.791 12.398 1.00 0.00 H new ATOM 0 HG CYS A 812 -3.713 2.452 10.123 1.00 0.00 H new ATOM 429 N THR A 813 -7.553 1.216 12.246 1.00 0.00 N ATOM 430 CA THR A 813 -8.607 0.381 11.683 1.00 0.00 C ATOM 431 C THR A 813 -8.761 0.624 10.186 1.00 0.00 C ATOM 432 O THR A 813 -8.415 1.692 9.681 1.00 0.00 O ATOM 433 CB THR A 813 -9.958 0.642 12.375 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.940 -0.286 11.899 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.432 2.065 12.120 1.00 0.00 C ATOM 0 H THR A 813 -7.659 2.213 12.058 1.00 0.00 H new ATOM 0 HA THR A 813 -8.314 -0.655 11.851 1.00 0.00 H new ATOM 0 HB THR A 813 -9.822 0.509 13.448 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.796 -0.114 12.345 1.00 0.00 H new ATOM 0 HG21 THR A 813 -11.388 2.225 12.619 1.00 0.00 H new ATOM 0 HG22 THR A 813 -9.697 2.769 12.510 1.00 0.00 H new ATOM 0 HG23 THR A 813 -10.551 2.222 11.048 1.00 0.00 H new ATOM 443 N LYS A 814 -9.282 -0.374 9.481 1.00 0.00 N ATOM 444 CA LYS A 814 -9.484 -0.269 8.040 1.00 0.00 C ATOM 445 C LYS A 814 -10.144 1.057 7.678 1.00 0.00 C ATOM 446 O LYS A 814 -9.541 1.899 7.013 1.00 0.00 O ATOM 447 CB LYS A 814 -10.343 -1.432 7.539 1.00 0.00 C ATOM 448 CG LYS A 814 -10.152 -1.738 6.063 1.00 0.00 C ATOM 449 CD LYS A 814 -11.414 -2.318 5.446 1.00 0.00 C ATOM 450 CE LYS A 814 -11.109 -3.075 4.163 1.00 0.00 C ATOM 451 NZ LYS A 814 -10.467 -4.391 4.435 1.00 0.00 N ATOM 0 H LYS A 814 -9.572 -1.265 9.884 1.00 0.00 H new ATOM 0 HA LYS A 814 -8.508 -0.312 7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -10.107 -2.324 8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -11.393 -1.202 7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -9.873 -0.826 5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -9.329 -2.442 5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -11.895 -2.987 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -12.120 -1.515 5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -12.032 -3.230 3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -10.453 -2.474 3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -9.728 -4.570 3.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -10.040 -4.380 5.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -11.183 -5.143 4.387 1.00 0.00 H new ATOM 465 N GLU A 815 -11.384 1.236 8.122 1.00 0.00 N ATOM 466 CA GLU A 815 -12.125 2.461 7.844 1.00 0.00 C ATOM 467 C GLU A 815 -11.195 3.671 7.845 1.00 0.00 C ATOM 468 O GLU A 815 -11.100 4.394 6.853 1.00 0.00 O ATOM 469 CB GLU A 815 -13.235 2.658 8.879 1.00 0.00 C ATOM 470 CG GLU A 815 -14.317 1.593 8.820 1.00 0.00 C ATOM 471 CD GLU A 815 -15.564 1.985 9.589 1.00 0.00 C ATOM 472 OE1 GLU A 815 -15.592 1.775 10.820 1.00 0.00 O ATOM 473 OE2 GLU A 815 -16.512 2.500 8.960 1.00 0.00 O ATOM 0 H GLU A 815 -11.896 0.549 8.675 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.572 2.368 6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.794 2.662 9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.691 3.636 8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -14.581 1.405 7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -13.925 0.659 9.223 1.00 0.00 H new ATOM 480 N GLU A 816 -10.511 3.884 8.964 1.00 0.00 N ATOM 481 CA GLU A 816 -9.589 5.007 9.094 1.00 0.00 C ATOM 482 C GLU A 816 -8.737 5.159 7.837 1.00 0.00 C ATOM 483 O GLU A 816 -8.801 6.179 7.149 1.00 0.00 O ATOM 484 CB GLU A 816 -8.687 4.817 10.315 1.00 0.00 C ATOM 485 CG GLU A 816 -9.324 5.269 11.619 1.00 0.00 C ATOM 486 CD GLU A 816 -8.353 5.245 12.782 1.00 0.00 C ATOM 487 OE1 GLU A 816 -7.346 5.982 12.729 1.00 0.00 O ATOM 488 OE2 GLU A 816 -8.598 4.489 13.745 1.00 0.00 O ATOM 0 H GLU A 816 -10.577 3.294 9.794 1.00 0.00 H new ATOM 0 HA GLU A 816 -10.178 5.915 9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.419 3.764 10.397 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -7.761 5.371 10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -9.714 6.280 11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -10.173 4.625 11.846 1.00 0.00 H new ATOM 495 N LEU A 817 -7.938 4.139 7.544 1.00 0.00 N ATOM 496 CA LEU A 817 -7.072 4.158 6.371 1.00 0.00 C ATOM 497 C LEU A 817 -7.884 4.374 5.098 1.00 0.00 C ATOM 498 O LEU A 817 -7.435 5.049 4.172 1.00 0.00 O ATOM 499 CB LEU A 817 -6.286 2.850 6.272 1.00 0.00 C ATOM 500 CG LEU A 817 -4.948 2.925 5.535 1.00 0.00 C ATOM 501 CD1 LEU A 817 -4.083 4.036 6.110 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.222 1.589 5.610 1.00 0.00 C ATOM 0 H LEU A 817 -7.872 3.288 8.103 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.373 4.987 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.102 2.483 7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -6.912 2.110 5.773 1.00 0.00 H new ATOM 0 HG LEU A 817 -5.145 3.151 4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -3.135 4.074 5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.599 4.990 6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -3.894 3.841 7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.272 1.661 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.037 1.333 6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -4.836 0.815 5.150 1.00 0.00 H new ATOM 514 N GLU A 818 -9.081 3.798 5.061 1.00 0.00 N ATOM 515 CA GLU A 818 -9.956 3.930 3.901 1.00 0.00 C ATOM 516 C GLU A 818 -10.282 5.395 3.629 1.00 0.00 C ATOM 517 O GLU A 818 -10.016 5.909 2.543 1.00 0.00 O ATOM 518 CB GLU A 818 -11.248 3.140 4.118 1.00 0.00 C ATOM 519 CG GLU A 818 -12.146 3.095 2.893 1.00 0.00 C ATOM 520 CD GLU A 818 -13.521 2.532 3.197 1.00 0.00 C ATOM 521 OE1 GLU A 818 -14.148 2.993 4.174 1.00 0.00 O ATOM 522 OE2 GLU A 818 -13.969 1.630 2.459 1.00 0.00 O ATOM 0 H GLU A 818 -9.467 3.236 5.820 1.00 0.00 H new ATOM 0 HA GLU A 818 -9.432 3.526 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -10.996 2.121 4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.800 3.583 4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -12.251 4.101 2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -11.672 2.488 2.122 1.00 0.00 H new ATOM 529 N GLU A 819 -10.860 6.061 4.624 1.00 0.00 N ATOM 530 CA GLU A 819 -11.224 7.467 4.491 1.00 0.00 C ATOM 531 C GLU A 819 -10.010 8.309 4.109 1.00 0.00 C ATOM 532 O GLU A 819 -10.115 9.245 3.315 1.00 0.00 O ATOM 533 CB GLU A 819 -11.827 7.986 5.798 1.00 0.00 C ATOM 534 CG GLU A 819 -10.997 7.655 7.026 1.00 0.00 C ATOM 535 CD GLU A 819 -11.546 8.289 8.290 1.00 0.00 C ATOM 536 OE1 GLU A 819 -12.783 8.314 8.452 1.00 0.00 O ATOM 537 OE2 GLU A 819 -10.736 8.758 9.117 1.00 0.00 O ATOM 0 H GLU A 819 -11.086 5.650 5.530 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.967 7.550 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -11.944 9.068 5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -12.825 7.565 5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -10.959 6.573 7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -9.973 7.993 6.870 1.00 0.00 H new ATOM 544 N ILE A 820 -8.859 7.971 4.680 1.00 0.00 N ATOM 545 CA ILE A 820 -7.625 8.695 4.400 1.00 0.00 C ATOM 546 C ILE A 820 -7.118 8.392 2.994 1.00 0.00 C ATOM 547 O ILE A 820 -6.529 9.252 2.337 1.00 0.00 O ATOM 548 CB ILE A 820 -6.523 8.345 5.417 1.00 0.00 C ATOM 549 CG1 ILE A 820 -7.004 8.633 6.841 1.00 0.00 C ATOM 550 CG2 ILE A 820 -5.254 9.127 5.113 1.00 0.00 C ATOM 551 CD1 ILE A 820 -6.125 8.022 7.910 1.00 0.00 C ATOM 0 H ILE A 820 -8.755 7.200 5.340 1.00 0.00 H new ATOM 0 HA ILE A 820 -7.857 9.757 4.480 1.00 0.00 H new ATOM 0 HB ILE A 820 -6.299 7.281 5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -7.047 9.712 6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -8.020 8.254 6.957 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -4.484 8.869 5.840 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -4.904 8.878 4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -5.463 10.195 5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -6.525 8.266 8.894 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -6.101 6.939 7.787 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -5.114 8.419 7.821 1.00 0.00 H new ATOM 563 N CYS A 821 -7.352 7.167 2.538 1.00 0.00 N ATOM 564 CA CYS A 821 -6.919 6.751 1.208 1.00 0.00 C ATOM 565 C CYS A 821 -7.727 7.461 0.127 1.00 0.00 C ATOM 566 O CYS A 821 -7.165 8.046 -0.800 1.00 0.00 O ATOM 567 CB CYS A 821 -7.060 5.236 1.055 1.00 0.00 C ATOM 568 SG CYS A 821 -5.827 4.283 1.973 1.00 0.00 S ATOM 0 H CYS A 821 -7.839 6.444 3.069 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.870 7.025 1.091 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -8.055 4.939 1.388 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.988 4.980 -0.002 1.00 0.00 H new ATOM 0 HG CYS A 821 -6.118 4.303 3.240 1.00 0.00 H new ATOM 574 N LYS A 822 -9.049 7.404 0.250 1.00 0.00 N ATOM 575 CA LYS A 822 -9.935 8.041 -0.717 1.00 0.00 C ATOM 576 C LYS A 822 -9.709 9.549 -0.752 1.00 0.00 C ATOM 577 O LYS A 822 -10.220 10.242 -1.631 1.00 0.00 O ATOM 578 CB LYS A 822 -11.397 7.742 -0.374 1.00 0.00 C ATOM 579 CG LYS A 822 -11.856 8.372 0.930 1.00 0.00 C ATOM 580 CD LYS A 822 -13.355 8.619 0.932 1.00 0.00 C ATOM 581 CE LYS A 822 -13.728 9.781 1.840 1.00 0.00 C ATOM 582 NZ LYS A 822 -13.984 9.333 3.237 1.00 0.00 N ATOM 0 H LYS A 822 -9.530 6.923 1.010 1.00 0.00 H new ATOM 0 HA LYS A 822 -9.708 7.634 -1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -12.032 8.100 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -11.534 6.662 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -11.593 7.720 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -11.331 9.314 1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -13.692 8.827 -0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -13.873 7.718 1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -12.924 10.517 1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -14.616 10.277 1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -14.766 9.886 3.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -14.237 8.324 3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -13.128 9.475 3.810 1.00 0.00 H new ATOM 596 N ALA A 823 -8.938 10.049 0.207 1.00 0.00 N ATOM 597 CA ALA A 823 -8.640 11.474 0.283 1.00 0.00 C ATOM 598 C ALA A 823 -7.688 11.897 -0.830 1.00 0.00 C ATOM 599 O ALA A 823 -7.653 13.064 -1.222 1.00 0.00 O ATOM 600 CB ALA A 823 -8.051 11.819 1.643 1.00 0.00 C ATOM 0 H ALA A 823 -8.508 9.488 0.943 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.574 12.021 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -7.833 12.886 1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.766 11.563 2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -7.131 11.255 1.795 1.00 0.00 H new ATOM 606 N HIS A 824 -6.915 10.940 -1.336 1.00 0.00 N ATOM 607 CA HIS A 824 -5.961 11.214 -2.405 1.00 0.00 C ATOM 608 C HIS A 824 -6.568 10.896 -3.769 1.00 0.00 C ATOM 609 O HIS A 824 -6.496 11.703 -4.694 1.00 0.00 O ATOM 610 CB HIS A 824 -4.685 10.398 -2.199 1.00 0.00 C ATOM 611 CG HIS A 824 -4.001 10.675 -0.895 1.00 0.00 C ATOM 612 ND1 HIS A 824 -3.406 11.883 -0.599 1.00 0.00 N ATOM 613 CD2 HIS A 824 -3.822 9.891 0.194 1.00 0.00 C ATOM 614 CE1 HIS A 824 -2.889 11.830 0.615 1.00 0.00 C ATOM 615 NE2 HIS A 824 -3.128 10.632 1.119 1.00 0.00 N ATOM 0 H HIS A 824 -6.931 9.969 -1.023 1.00 0.00 H new ATOM 0 HA HIS A 824 -5.714 12.275 -2.375 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -4.929 9.337 -2.254 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -3.993 10.608 -3.015 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -4.162 8.873 0.313 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -2.360 12.630 1.112 1.00 0.00 H new ATOM 0 HE2 HIS A 824 -2.843 10.310 2.044 1.00 0.00 H new ATOM 623 N GLY A 825 -7.165 9.713 -3.885 1.00 0.00 N ATOM 624 CA GLY A 825 -7.774 9.310 -5.138 1.00 0.00 C ATOM 625 C GLY A 825 -8.841 8.250 -4.950 1.00 0.00 C ATOM 626 O GLY A 825 -9.449 8.153 -3.883 1.00 0.00 O ATOM 0 H GLY A 825 -7.237 9.027 -3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -8.214 10.182 -5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -7.003 8.930 -5.808 1.00 0.00 H new ATOM 630 N THR A 826 -9.072 7.453 -5.989 1.00 0.00 N ATOM 631 CA THR A 826 -10.075 6.397 -5.934 1.00 0.00 C ATOM 632 C THR A 826 -9.503 5.126 -5.317 1.00 0.00 C ATOM 633 O THR A 826 -8.492 4.599 -5.781 1.00 0.00 O ATOM 634 CB THR A 826 -10.625 6.071 -7.335 1.00 0.00 C ATOM 635 OG1 THR A 826 -11.241 7.233 -7.902 1.00 0.00 O ATOM 636 CG2 THR A 826 -11.635 4.936 -7.270 1.00 0.00 C ATOM 0 H THR A 826 -8.578 7.519 -6.879 1.00 0.00 H new ATOM 0 HA THR A 826 -10.888 6.767 -5.309 1.00 0.00 H new ATOM 0 HB THR A 826 -9.792 5.758 -7.964 1.00 0.00 H new ATOM 0 HG1 THR A 826 -11.587 7.018 -8.793 1.00 0.00 H new ATOM 0 HG21 THR A 826 -12.009 4.724 -8.272 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.155 4.045 -6.866 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.466 5.225 -6.626 1.00 0.00 H new ATOM 644 N VAL A 827 -10.156 4.637 -4.267 1.00 0.00 N ATOM 645 CA VAL A 827 -9.712 3.426 -3.588 1.00 0.00 C ATOM 646 C VAL A 827 -10.402 2.192 -4.158 1.00 0.00 C ATOM 647 O VAL A 827 -11.560 1.913 -3.846 1.00 0.00 O ATOM 648 CB VAL A 827 -9.987 3.500 -2.074 1.00 0.00 C ATOM 649 CG1 VAL A 827 -9.576 2.203 -1.393 1.00 0.00 C ATOM 650 CG2 VAL A 827 -9.262 4.688 -1.459 1.00 0.00 C ATOM 0 H VAL A 827 -10.994 5.061 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.637 3.346 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 827 -11.057 3.639 -1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -9.777 2.274 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -10.144 1.374 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -8.511 2.031 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -9.467 4.725 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -8.189 4.582 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -9.610 5.609 -1.927 1.00 0.00 H new ATOM 660 N LYS A 828 -9.682 1.454 -4.996 1.00 0.00 N ATOM 661 CA LYS A 828 -10.222 0.247 -5.611 1.00 0.00 C ATOM 662 C LYS A 828 -10.474 -0.832 -4.562 1.00 0.00 C ATOM 663 O LYS A 828 -11.539 -1.449 -4.536 1.00 0.00 O ATOM 664 CB LYS A 828 -9.262 -0.280 -6.680 1.00 0.00 C ATOM 665 CG LYS A 828 -9.139 0.631 -7.889 1.00 0.00 C ATOM 666 CD LYS A 828 -10.410 0.627 -8.721 1.00 0.00 C ATOM 667 CE LYS A 828 -10.612 -0.706 -9.424 1.00 0.00 C ATOM 668 NZ LYS A 828 -11.283 -1.702 -8.543 1.00 0.00 N ATOM 0 H LYS A 828 -8.722 1.671 -5.265 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.172 0.503 -6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -8.276 -0.416 -6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -9.601 -1.262 -7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -8.922 1.647 -7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -8.299 0.309 -8.504 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -11.267 0.835 -8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -10.364 1.426 -9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -11.210 -0.555 -10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -9.647 -1.097 -9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -10.631 -2.489 -8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -11.553 -1.247 -7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -12.134 -2.066 -9.016 1.00 0.00 H new ATOM 682 N ASP A 829 -9.489 -1.052 -3.699 1.00 0.00 N ATOM 683 CA ASP A 829 -9.604 -2.055 -2.646 1.00 0.00 C ATOM 684 C ASP A 829 -8.570 -1.814 -1.551 1.00 0.00 C ATOM 685 O ASP A 829 -7.508 -1.242 -1.799 1.00 0.00 O ATOM 686 CB ASP A 829 -9.432 -3.459 -3.228 1.00 0.00 C ATOM 687 CG ASP A 829 -10.082 -4.525 -2.369 1.00 0.00 C ATOM 688 OD1 ASP A 829 -11.075 -4.209 -1.681 1.00 0.00 O ATOM 689 OD2 ASP A 829 -9.598 -5.676 -2.385 1.00 0.00 O ATOM 0 H ASP A 829 -8.601 -0.549 -3.707 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.598 -1.972 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -9.863 -3.490 -4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -8.369 -3.678 -3.332 1.00 0.00 H new ATOM 694 N LEU A 830 -8.888 -2.254 -0.338 1.00 0.00 N ATOM 695 CA LEU A 830 -7.987 -2.085 0.797 1.00 0.00 C ATOM 696 C LEU A 830 -7.974 -3.335 1.672 1.00 0.00 C ATOM 697 O LEU A 830 -9.026 -3.862 2.034 1.00 0.00 O ATOM 698 CB LEU A 830 -8.404 -0.871 1.629 1.00 0.00 C ATOM 699 CG LEU A 830 -7.279 -0.148 2.371 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.734 1.234 2.815 1.00 0.00 C ATOM 701 CD2 LEU A 830 -6.817 -0.968 3.567 1.00 0.00 C ATOM 0 H LEU A 830 -9.762 -2.730 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 830 -6.981 -1.924 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -8.896 -0.156 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -9.146 -1.194 2.360 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.437 -0.029 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -6.920 1.733 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -8.016 1.822 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.592 1.138 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -6.016 -0.439 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -7.653 -1.118 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.451 -1.936 3.225 1.00 0.00 H new ATOM 713 N ARG A 831 -6.776 -3.802 2.009 1.00 0.00 N ATOM 714 CA ARG A 831 -6.627 -4.989 2.843 1.00 0.00 C ATOM 715 C ARG A 831 -5.570 -4.766 3.921 1.00 0.00 C ATOM 716 O ARG A 831 -4.558 -4.104 3.687 1.00 0.00 O ATOM 717 CB ARG A 831 -6.247 -6.197 1.984 1.00 0.00 C ATOM 718 CG ARG A 831 -6.206 -7.505 2.757 1.00 0.00 C ATOM 719 CD ARG A 831 -7.599 -8.083 2.948 1.00 0.00 C ATOM 720 NE ARG A 831 -7.982 -8.964 1.848 1.00 0.00 N ATOM 721 CZ ARG A 831 -8.995 -9.822 1.912 1.00 0.00 C ATOM 722 NH1 ARG A 831 -9.722 -9.913 3.017 1.00 0.00 N ATOM 723 NH2 ARG A 831 -9.281 -10.590 0.869 1.00 0.00 N ATOM 0 H ARG A 831 -5.896 -3.377 1.718 1.00 0.00 H new ATOM 0 HA ARG A 831 -7.583 -5.183 3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -6.962 -6.290 1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -5.270 -6.020 1.534 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -5.582 -8.224 2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -5.743 -7.340 3.730 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -7.636 -8.637 3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -8.321 -7.270 3.029 1.00 0.00 H new ATOM 0 HE ARG A 831 -7.443 -8.918 0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -9.504 -9.324 3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -10.499 -10.572 3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -8.723 -10.522 0.018 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -10.058 -11.248 0.918 1.00 0.00 H new ATOM 737 N LEU A 832 -5.812 -5.323 5.103 1.00 0.00 N ATOM 738 CA LEU A 832 -4.882 -5.185 6.218 1.00 0.00 C ATOM 739 C LEU A 832 -4.289 -6.537 6.603 1.00 0.00 C ATOM 740 O LEU A 832 -5.012 -7.459 6.979 1.00 0.00 O ATOM 741 CB LEU A 832 -5.589 -4.563 7.424 1.00 0.00 C ATOM 742 CG LEU A 832 -6.372 -3.278 7.154 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.396 -3.036 8.252 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.426 -2.093 7.033 1.00 0.00 C ATOM 0 H LEU A 832 -6.644 -5.874 5.314 1.00 0.00 H new ATOM 0 HA LEU A 832 -4.070 -4.529 5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -6.275 -5.302 7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -4.842 -4.355 8.190 1.00 0.00 H new ATOM 0 HG LEU A 832 -6.904 -3.391 6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -7.944 -2.117 8.043 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -8.093 -3.873 8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -6.886 -2.944 9.211 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -6.001 -1.187 6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -4.866 -1.978 7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -4.732 -2.264 6.210 1.00 0.00 H new ATOM 756 N VAL A 833 -2.968 -6.646 6.508 1.00 0.00 N ATOM 757 CA VAL A 833 -2.277 -7.884 6.850 1.00 0.00 C ATOM 758 C VAL A 833 -2.488 -8.245 8.316 1.00 0.00 C ATOM 759 O VAL A 833 -1.925 -7.613 9.210 1.00 0.00 O ATOM 760 CB VAL A 833 -0.766 -7.778 6.571 1.00 0.00 C ATOM 761 CG1 VAL A 833 -0.067 -9.086 6.910 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.517 -7.391 5.121 1.00 0.00 C ATOM 0 H VAL A 833 -2.355 -5.893 6.197 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.701 -8.667 6.222 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.351 -6.996 7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 833 1.000 -8.992 6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 833 -0.216 -9.315 7.965 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -0.483 -9.889 6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.556 -7.321 4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -0.946 -8.148 4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -0.983 -6.427 4.917 1.00 0.00 H new ATOM 772 N THR A 834 -3.304 -9.266 8.556 1.00 0.00 N ATOM 773 CA THR A 834 -3.591 -9.712 9.914 1.00 0.00 C ATOM 774 C THR A 834 -2.837 -10.995 10.242 1.00 0.00 C ATOM 775 O THR A 834 -2.246 -11.621 9.364 1.00 0.00 O ATOM 776 CB THR A 834 -5.099 -9.949 10.121 1.00 0.00 C ATOM 777 OG1 THR A 834 -5.612 -10.783 9.075 1.00 0.00 O ATOM 778 CG2 THR A 834 -5.857 -8.630 10.141 1.00 0.00 C ATOM 0 H THR A 834 -3.778 -9.800 7.828 1.00 0.00 H new ATOM 0 HA THR A 834 -3.260 -8.918 10.584 1.00 0.00 H new ATOM 0 HB THR A 834 -5.237 -10.444 11.082 1.00 0.00 H new ATOM 0 HG1 THR A 834 -6.571 -10.930 9.215 1.00 0.00 H new ATOM 0 HG21 THR A 834 -6.920 -8.823 10.288 1.00 0.00 H new ATOM 0 HG22 THR A 834 -5.485 -8.009 10.956 1.00 0.00 H new ATOM 0 HG23 THR A 834 -5.710 -8.112 9.193 1.00 0.00 H new ATOM 786 N ASN A 835 -2.862 -11.382 11.514 1.00 0.00 N ATOM 787 CA ASN A 835 -2.180 -12.592 11.958 1.00 0.00 C ATOM 788 C ASN A 835 -3.150 -13.768 12.028 1.00 0.00 C ATOM 789 O ASN A 835 -4.344 -13.617 11.771 1.00 0.00 O ATOM 790 CB ASN A 835 -1.535 -12.366 13.327 1.00 0.00 C ATOM 791 CG ASN A 835 -0.428 -13.360 13.616 1.00 0.00 C ATOM 792 OD1 ASN A 835 0.173 -13.921 12.699 1.00 0.00 O ATOM 793 ND2 ASN A 835 -0.152 -13.584 14.896 1.00 0.00 N ATOM 0 H ASN A 835 -3.347 -10.875 12.255 1.00 0.00 H new ATOM 0 HA ASN A 835 -1.402 -12.828 11.232 1.00 0.00 H new ATOM 0 HB2 ASN A 835 -1.132 -11.354 13.373 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -2.298 -12.441 14.102 1.00 0.00 H new ATOM 0 HD21 ASN A 835 0.583 -14.243 15.151 1.00 0.00 H new ATOM 0 HD22 ASN A 835 -0.675 -13.097 15.623 1.00 0.00 H new ATOM 800 N ARG A 836 -2.627 -14.939 12.379 1.00 0.00 N ATOM 801 CA ARG A 836 -3.445 -16.141 12.483 1.00 0.00 C ATOM 802 C ARG A 836 -4.577 -15.943 13.487 1.00 0.00 C ATOM 803 O ARG A 836 -5.645 -16.541 13.360 1.00 0.00 O ATOM 804 CB ARG A 836 -2.585 -17.335 12.898 1.00 0.00 C ATOM 805 CG ARG A 836 -1.423 -17.605 11.956 1.00 0.00 C ATOM 806 CD ARG A 836 -0.467 -18.638 12.531 1.00 0.00 C ATOM 807 NE ARG A 836 0.264 -19.350 11.486 1.00 0.00 N ATOM 808 CZ ARG A 836 -0.218 -20.408 10.843 1.00 0.00 C ATOM 809 NH1 ARG A 836 -1.425 -20.874 11.137 1.00 0.00 N ATOM 810 NH2 ARG A 836 0.507 -21.002 9.904 1.00 0.00 N ATOM 0 H ARG A 836 -1.640 -15.080 12.596 1.00 0.00 H new ATOM 0 HA ARG A 836 -3.881 -16.339 11.504 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -2.196 -17.160 13.901 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -3.213 -18.224 12.950 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -1.805 -17.955 10.997 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -0.885 -16.676 11.765 1.00 0.00 H new ATOM 0 HD2 ARG A 836 0.241 -18.145 13.197 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -1.026 -19.354 13.134 1.00 0.00 H new ATOM 0 HE ARG A 836 1.195 -19.017 11.236 1.00 0.00 H new ATOM 0 HH11 ARG A 836 -1.985 -20.420 11.858 1.00 0.00 H new ATOM 0 HH12 ARG A 836 -1.793 -21.686 10.642 1.00 0.00 H new ATOM 0 HH21 ARG A 836 1.435 -20.646 9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 836 0.136 -21.814 9.411 1.00 0.00 H new ATOM 824 N ALA A 837 -4.335 -15.099 14.485 1.00 0.00 N ATOM 825 CA ALA A 837 -5.334 -14.821 15.510 1.00 0.00 C ATOM 826 C ALA A 837 -6.210 -13.637 15.115 1.00 0.00 C ATOM 827 O ALA A 837 -7.151 -13.285 15.825 1.00 0.00 O ATOM 828 CB ALA A 837 -4.658 -14.557 16.847 1.00 0.00 C ATOM 0 H ALA A 837 -3.456 -14.596 14.605 1.00 0.00 H new ATOM 0 HA ALA A 837 -5.975 -15.698 15.606 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -5.415 -14.351 17.603 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -4.080 -15.433 17.142 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -3.994 -13.698 16.755 1.00 0.00 H new ATOM 834 N GLY A 838 -5.893 -13.025 13.978 1.00 0.00 N ATOM 835 CA GLY A 838 -6.661 -11.886 13.510 1.00 0.00 C ATOM 836 C GLY A 838 -6.100 -10.566 14.002 1.00 0.00 C ATOM 837 O GLY A 838 -6.786 -9.544 13.980 1.00 0.00 O ATOM 0 H GLY A 838 -5.118 -13.298 13.373 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -6.678 -11.886 12.420 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -7.694 -11.986 13.845 1.00 0.00 H new ATOM 841 N LYS A 839 -4.849 -10.587 14.447 1.00 0.00 N ATOM 842 CA LYS A 839 -4.194 -9.384 14.948 1.00 0.00 C ATOM 843 C LYS A 839 -3.446 -8.666 13.829 1.00 0.00 C ATOM 844 O LYS A 839 -2.868 -9.288 12.937 1.00 0.00 O ATOM 845 CB LYS A 839 -3.225 -9.738 16.078 1.00 0.00 C ATOM 846 CG LYS A 839 -3.843 -10.610 17.158 1.00 0.00 C ATOM 847 CD LYS A 839 -4.572 -9.776 18.198 1.00 0.00 C ATOM 848 CE LYS A 839 -3.601 -9.123 19.169 1.00 0.00 C ATOM 849 NZ LYS A 839 -3.199 -10.052 20.261 1.00 0.00 N ATOM 0 H LYS A 839 -4.267 -11.425 14.471 1.00 0.00 H new ATOM 0 HA LYS A 839 -4.964 -8.716 15.334 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -2.361 -10.253 15.657 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -2.857 -8.818 16.532 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -4.538 -11.316 16.704 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -3.064 -11.198 17.643 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -5.163 -9.007 17.700 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -5.269 -10.407 18.749 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -2.714 -8.793 18.628 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -4.061 -8.234 19.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -2.537 -9.569 20.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -4.042 -10.348 20.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -2.737 -10.889 19.852 1.00 0.00 H new ATOM 863 N PRO A 840 -3.455 -7.326 13.874 1.00 0.00 N ATOM 864 CA PRO A 840 -2.780 -6.495 12.873 1.00 0.00 C ATOM 865 C PRO A 840 -1.261 -6.586 12.973 1.00 0.00 C ATOM 866 O PRO A 840 -0.670 -6.195 13.979 1.00 0.00 O ATOM 867 CB PRO A 840 -3.254 -5.079 13.209 1.00 0.00 C ATOM 868 CG PRO A 840 -3.604 -5.130 14.656 1.00 0.00 C ATOM 869 CD PRO A 840 -4.124 -6.518 14.908 1.00 0.00 C ATOM 0 HA PRO A 840 -3.017 -6.808 11.856 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -2.473 -4.344 13.016 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.115 -4.795 12.603 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -2.732 -4.922 15.276 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -4.356 -4.381 14.902 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -3.876 -6.864 15.911 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -5.209 -6.564 14.814 1.00 0.00 H new ATOM 877 N LYS A 841 -0.634 -7.103 11.922 1.00 0.00 N ATOM 878 CA LYS A 841 0.817 -7.244 11.889 1.00 0.00 C ATOM 879 C LYS A 841 1.487 -5.905 11.601 1.00 0.00 C ATOM 880 O LYS A 841 2.713 -5.800 11.605 1.00 0.00 O ATOM 881 CB LYS A 841 1.227 -8.270 10.830 1.00 0.00 C ATOM 882 CG LYS A 841 0.908 -9.704 11.217 1.00 0.00 C ATOM 883 CD LYS A 841 1.250 -10.673 10.098 1.00 0.00 C ATOM 884 CE LYS A 841 2.745 -10.944 10.033 1.00 0.00 C ATOM 885 NZ LYS A 841 3.206 -11.785 11.173 1.00 0.00 N ATOM 0 H LYS A 841 -1.108 -7.432 11.081 1.00 0.00 H new ATOM 0 HA LYS A 841 1.145 -7.592 12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 841 0.722 -8.034 9.893 1.00 0.00 H new ATOM 0 HB3 LYS A 841 2.298 -8.182 10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 841 1.465 -9.972 12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -0.151 -9.789 11.462 1.00 0.00 H new ATOM 0 HD2 LYS A 841 0.716 -11.611 10.251 1.00 0.00 H new ATOM 0 HD3 LYS A 841 0.911 -10.265 9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.983 -11.443 9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 841 3.286 -9.998 10.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 4.148 -12.171 10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 3.256 -11.205 12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 2.536 -12.567 11.321 1.00 0.00 H new ATOM 899 N GLY A 842 0.675 -4.883 11.352 1.00 0.00 N ATOM 900 CA GLY A 842 1.208 -3.563 11.067 1.00 0.00 C ATOM 901 C GLY A 842 1.244 -3.261 9.582 1.00 0.00 C ATOM 902 O GLY A 842 1.177 -2.101 9.175 1.00 0.00 O ATOM 0 H GLY A 842 -0.343 -4.945 11.342 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.601 -2.812 11.573 1.00 0.00 H new ATOM 0 HA3 GLY A 842 2.216 -3.486 11.475 1.00 0.00 H new ATOM 906 N LEU A 843 1.351 -4.307 8.769 1.00 0.00 N ATOM 907 CA LEU A 843 1.397 -4.148 7.320 1.00 0.00 C ATOM 908 C LEU A 843 -0.006 -3.988 6.744 1.00 0.00 C ATOM 909 O LEU A 843 -0.955 -4.617 7.212 1.00 0.00 O ATOM 910 CB LEU A 843 2.090 -5.351 6.677 1.00 0.00 C ATOM 911 CG LEU A 843 3.399 -5.798 7.329 1.00 0.00 C ATOM 912 CD1 LEU A 843 3.924 -7.060 6.661 1.00 0.00 C ATOM 913 CD2 LEU A 843 4.436 -4.686 7.261 1.00 0.00 C ATOM 0 H LEU A 843 1.407 -5.274 9.089 1.00 0.00 H new ATOM 0 HA LEU A 843 1.966 -3.246 7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.397 -6.192 6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 843 2.290 -5.114 5.632 1.00 0.00 H new ATOM 0 HG LEU A 843 3.203 -6.021 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 843 4.856 -7.363 7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 843 3.188 -7.858 6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 843 4.104 -6.864 5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 843 5.361 -5.022 7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 843 4.629 -4.432 6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 843 4.062 -3.807 7.786 1.00 0.00 H new ATOM 925 N ALA A 844 -0.130 -3.144 5.726 1.00 0.00 N ATOM 926 CA ALA A 844 -1.416 -2.905 5.083 1.00 0.00 C ATOM 927 C ALA A 844 -1.243 -2.632 3.593 1.00 0.00 C ATOM 928 O ALA A 844 -0.343 -1.896 3.187 1.00 0.00 O ATOM 929 CB ALA A 844 -2.133 -1.743 5.755 1.00 0.00 C ATOM 0 H ALA A 844 0.645 -2.614 5.328 1.00 0.00 H new ATOM 0 HA ALA A 844 -2.022 -3.804 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -3.092 -1.575 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -2.299 -1.977 6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -1.522 -0.844 5.675 1.00 0.00 H new ATOM 935 N TYR A 845 -2.110 -3.229 2.783 1.00 0.00 N ATOM 936 CA TYR A 845 -2.051 -3.052 1.337 1.00 0.00 C ATOM 937 C TYR A 845 -3.205 -2.183 0.846 1.00 0.00 C ATOM 938 O TYR A 845 -4.300 -2.210 1.408 1.00 0.00 O ATOM 939 CB TYR A 845 -2.087 -4.410 0.634 1.00 0.00 C ATOM 940 CG TYR A 845 -0.747 -5.110 0.601 1.00 0.00 C ATOM 941 CD1 TYR A 845 -0.317 -5.882 1.674 1.00 0.00 C ATOM 942 CD2 TYR A 845 0.090 -5.000 -0.503 1.00 0.00 C ATOM 943 CE1 TYR A 845 0.906 -6.523 1.648 1.00 0.00 C ATOM 944 CE2 TYR A 845 1.315 -5.638 -0.538 1.00 0.00 C ATOM 945 CZ TYR A 845 1.719 -6.398 0.540 1.00 0.00 C ATOM 946 OH TYR A 845 2.938 -7.035 0.510 1.00 0.00 O ATOM 0 H TYR A 845 -2.862 -3.840 3.103 1.00 0.00 H new ATOM 0 HA TYR A 845 -1.114 -2.550 1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -2.810 -5.051 1.138 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -2.441 -4.272 -0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -0.950 -5.982 2.543 1.00 0.00 H new ATOM 0 HD2 TYR A 845 -0.223 -4.405 -1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 845 1.224 -7.119 2.490 1.00 0.00 H new ATOM 0 HE2 TYR A 845 1.953 -5.542 -1.404 1.00 0.00 H new ATOM 0 HH TYR A 845 3.385 -6.846 -0.341 1.00 0.00 H new ATOM 956 N VAL A 846 -2.952 -1.413 -0.207 1.00 0.00 N ATOM 957 CA VAL A 846 -3.969 -0.537 -0.776 1.00 0.00 C ATOM 958 C VAL A 846 -4.042 -0.691 -2.291 1.00 0.00 C ATOM 959 O VAL A 846 -3.048 -1.016 -2.940 1.00 0.00 O ATOM 960 CB VAL A 846 -3.693 0.939 -0.434 1.00 0.00 C ATOM 961 CG1 VAL A 846 -4.702 1.845 -1.123 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.717 1.150 1.073 1.00 0.00 C ATOM 0 H VAL A 846 -2.051 -1.378 -0.684 1.00 0.00 H new ATOM 0 HA VAL A 846 -4.922 -0.832 -0.337 1.00 0.00 H new ATOM 0 HB VAL A 846 -2.699 1.199 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.491 2.884 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -4.631 1.713 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -5.708 1.588 -0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.520 2.198 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.696 0.873 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -2.952 0.530 1.539 1.00 0.00 H new ATOM 972 N GLU A 847 -5.225 -0.454 -2.848 1.00 0.00 N ATOM 973 CA GLU A 847 -5.427 -0.567 -4.288 1.00 0.00 C ATOM 974 C GLU A 847 -6.142 0.665 -4.835 1.00 0.00 C ATOM 975 O GLU A 847 -7.238 1.009 -4.391 1.00 0.00 O ATOM 976 CB GLU A 847 -6.234 -1.825 -4.615 1.00 0.00 C ATOM 977 CG GLU A 847 -5.373 -3.055 -4.854 1.00 0.00 C ATOM 978 CD GLU A 847 -5.109 -3.838 -3.583 1.00 0.00 C ATOM 979 OE1 GLU A 847 -6.026 -3.929 -2.740 1.00 0.00 O ATOM 980 OE2 GLU A 847 -3.985 -4.360 -3.431 1.00 0.00 O ATOM 0 H GLU A 847 -6.058 -0.183 -2.325 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.448 -0.639 -4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -6.923 -2.028 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -6.840 -1.638 -5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -5.865 -3.703 -5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -4.423 -2.749 -5.292 1.00 0.00 H new ATOM 987 N TYR A 848 -5.514 1.326 -5.802 1.00 0.00 N ATOM 988 CA TYR A 848 -6.087 2.521 -6.408 1.00 0.00 C ATOM 989 C TYR A 848 -6.546 2.241 -7.836 1.00 0.00 C ATOM 990 O TYR A 848 -6.291 1.168 -8.382 1.00 0.00 O ATOM 991 CB TYR A 848 -5.067 3.661 -6.403 1.00 0.00 C ATOM 992 CG TYR A 848 -5.071 4.471 -5.126 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.482 3.981 -3.967 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.665 5.726 -5.079 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.484 4.717 -2.798 1.00 0.00 C ATOM 996 CE2 TYR A 848 -5.670 6.470 -3.915 1.00 0.00 C ATOM 997 CZ TYR A 848 -5.078 5.962 -2.777 1.00 0.00 C ATOM 998 OH TYR A 848 -5.083 6.699 -1.616 1.00 0.00 O ATOM 0 H TYR A 848 -4.608 1.054 -6.182 1.00 0.00 H new ATOM 0 HA TYR A 848 -6.954 2.816 -5.818 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -4.071 3.247 -6.558 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.271 4.323 -7.244 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -4.014 3.008 -3.980 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -6.131 6.127 -5.967 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -4.023 4.320 -1.906 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -6.135 7.445 -3.896 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.943 7.161 -1.525 1.00 0.00 H new ATOM 1008 N GLU A 849 -7.224 3.215 -8.434 1.00 0.00 N ATOM 1009 CA GLU A 849 -7.719 3.074 -9.799 1.00 0.00 C ATOM 1010 C GLU A 849 -6.666 3.521 -10.809 1.00 0.00 C ATOM 1011 O GLU A 849 -6.467 2.879 -11.839 1.00 0.00 O ATOM 1012 CB GLU A 849 -9.000 3.889 -9.987 1.00 0.00 C ATOM 1013 CG GLU A 849 -9.671 3.667 -11.332 1.00 0.00 C ATOM 1014 CD GLU A 849 -11.176 3.845 -11.270 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -11.638 5.004 -11.314 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -11.890 2.825 -11.178 1.00 0.00 O ATOM 0 H GLU A 849 -7.443 4.110 -7.996 1.00 0.00 H new ATOM 0 HA GLU A 849 -7.938 2.020 -9.971 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.703 3.634 -9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.766 4.948 -9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -9.256 4.364 -12.060 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -9.442 2.662 -11.687 1.00 0.00 H new ATOM 1023 N ASN A 850 -5.995 4.628 -10.505 1.00 0.00 N ATOM 1024 CA ASN A 850 -4.963 5.162 -11.386 1.00 0.00 C ATOM 1025 C ASN A 850 -3.583 5.029 -10.750 1.00 0.00 C ATOM 1026 O ASN A 850 -3.446 4.511 -9.642 1.00 0.00 O ATOM 1027 CB ASN A 850 -5.249 6.630 -11.709 1.00 0.00 C ATOM 1028 CG ASN A 850 -6.430 6.796 -12.646 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -6.917 5.826 -13.226 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -6.896 8.030 -12.797 1.00 0.00 N ATOM 0 H ASN A 850 -6.148 5.172 -9.656 1.00 0.00 H new ATOM 0 HA ASN A 850 -4.975 4.585 -12.310 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -5.444 7.172 -10.783 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -4.364 7.079 -12.161 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -7.689 8.204 -13.414 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -6.461 8.804 -12.296 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.562 5.502 -11.458 1.00 0.00 N ATOM 1038 CA GLU A 851 -1.193 5.436 -10.962 1.00 0.00 C ATOM 1039 C GLU A 851 -0.800 6.740 -10.274 1.00 0.00 C ATOM 1040 O GLU A 851 -0.203 6.731 -9.197 1.00 0.00 O ATOM 1041 CB GLU A 851 -0.225 5.141 -12.110 1.00 0.00 C ATOM 1042 CG GLU A 851 1.021 4.387 -11.677 1.00 0.00 C ATOM 1043 CD GLU A 851 2.075 4.328 -12.766 1.00 0.00 C ATOM 1044 OE1 GLU A 851 1.712 4.058 -13.930 1.00 0.00 O ATOM 1045 OE2 GLU A 851 3.264 4.551 -12.453 1.00 0.00 O ATOM 0 H GLU A 851 -2.657 5.935 -12.377 1.00 0.00 H new ATOM 0 HA GLU A 851 -1.137 4.629 -10.232 1.00 0.00 H new ATOM 0 HB2 GLU A 851 -0.745 4.560 -12.872 1.00 0.00 H new ATOM 0 HB3 GLU A 851 0.072 6.081 -12.574 1.00 0.00 H new ATOM 0 HG2 GLU A 851 1.443 4.867 -10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 851 0.745 3.373 -11.388 1.00 0.00 H new ATOM 1052 N SER A 852 -1.139 7.861 -10.903 1.00 0.00 N ATOM 1053 CA SER A 852 -0.818 9.173 -10.354 1.00 0.00 C ATOM 1054 C SER A 852 -1.395 9.331 -8.951 1.00 0.00 C ATOM 1055 O SER A 852 -0.743 9.870 -8.058 1.00 0.00 O ATOM 1056 CB SER A 852 -1.357 10.276 -11.267 1.00 0.00 C ATOM 1057 OG SER A 852 -1.234 11.549 -10.656 1.00 0.00 O ATOM 0 H SER A 852 -1.636 7.887 -11.793 1.00 0.00 H new ATOM 0 HA SER A 852 0.267 9.259 -10.293 1.00 0.00 H new ATOM 0 HB2 SER A 852 -0.813 10.268 -12.212 1.00 0.00 H new ATOM 0 HB3 SER A 852 -2.404 10.081 -11.500 1.00 0.00 H new ATOM 0 HG SER A 852 -1.584 12.237 -11.260 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.623 8.856 -8.766 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.289 8.945 -7.472 1.00 0.00 C ATOM 1065 C GLN A 853 -2.467 8.255 -6.388 1.00 0.00 C ATOM 1066 O GLN A 853 -2.151 8.854 -5.361 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.683 8.318 -7.548 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.713 9.206 -8.228 1.00 0.00 C ATOM 1069 CD GLN A 853 -7.093 8.580 -8.258 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -8.094 9.242 -7.981 1.00 0.00 O ATOM 1071 NE2 GLN A 853 -7.155 7.297 -8.596 1.00 0.00 N ATOM 0 H GLN A 853 -3.176 8.406 -9.495 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.386 9.999 -7.213 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.618 7.373 -8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -5.024 8.087 -6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -5.763 10.162 -7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.391 9.415 -9.248 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -6.300 6.786 -8.818 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -8.057 6.823 -8.634 1.00 0.00 H new ATOM 1080 N ALA A 854 -2.125 6.993 -6.625 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.338 6.223 -5.670 1.00 0.00 C ATOM 1082 C ALA A 854 -0.037 6.940 -5.325 1.00 0.00 C ATOM 1083 O ALA A 854 0.337 7.041 -4.156 1.00 0.00 O ATOM 1084 CB ALA A 854 -1.047 4.836 -6.222 1.00 0.00 C ATOM 0 H ALA A 854 -2.381 6.482 -7.470 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.921 6.123 -4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.459 4.272 -5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -1.986 4.315 -6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.488 4.925 -7.153 1.00 0.00 H new ATOM 1090 N SER A 855 0.649 7.437 -6.349 1.00 0.00 N ATOM 1091 CA SER A 855 1.911 8.142 -6.154 1.00 0.00 C ATOM 1092 C SER A 855 1.762 9.245 -5.111 1.00 0.00 C ATOM 1093 O SER A 855 2.518 9.302 -4.141 1.00 0.00 O ATOM 1094 CB SER A 855 2.396 8.738 -7.477 1.00 0.00 C ATOM 1095 OG SER A 855 3.775 9.059 -7.417 1.00 0.00 O ATOM 0 H SER A 855 0.352 7.365 -7.322 1.00 0.00 H new ATOM 0 HA SER A 855 2.648 7.424 -5.795 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.219 8.028 -8.285 1.00 0.00 H new ATOM 0 HB3 SER A 855 1.821 9.634 -7.708 1.00 0.00 H new ATOM 0 HG SER A 855 4.061 9.436 -8.275 1.00 0.00 H new ATOM 1101 N GLN A 856 0.781 10.118 -5.318 1.00 0.00 N ATOM 1102 CA GLN A 856 0.533 11.220 -4.395 1.00 0.00 C ATOM 1103 C GLN A 856 0.355 10.707 -2.970 1.00 0.00 C ATOM 1104 O GLN A 856 1.009 11.184 -2.043 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.707 12.004 -4.827 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.760 13.415 -4.264 1.00 0.00 C ATOM 1107 CD GLN A 856 -1.525 14.372 -5.158 1.00 0.00 C ATOM 1108 OE1 GLN A 856 -2.729 14.219 -5.363 1.00 0.00 O ATOM 1109 NE2 GLN A 856 -0.827 15.365 -5.697 1.00 0.00 N ATOM 0 H GLN A 856 0.146 10.084 -6.115 1.00 0.00 H new ATOM 0 HA GLN A 856 1.399 11.882 -4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.734 12.055 -5.915 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.598 11.462 -4.511 1.00 0.00 H new ATOM 0 HG2 GLN A 856 -1.227 13.392 -3.279 1.00 0.00 H new ATOM 0 HG3 GLN A 856 0.256 13.786 -4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 856 0.170 15.454 -5.500 1.00 0.00 H new ATOM 0 HE22 GLN A 856 -1.288 16.039 -6.308 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.533 9.733 -2.804 1.00 0.00 N ATOM 1119 CA ALA A 857 -0.796 9.155 -1.492 1.00 0.00 C ATOM 1120 C ALA A 857 0.484 8.611 -0.865 1.00 0.00 C ATOM 1121 O ALA A 857 0.657 8.653 0.353 1.00 0.00 O ATOM 1122 CB ALA A 857 -1.842 8.055 -1.600 1.00 0.00 C ATOM 0 H ALA A 857 -1.083 9.327 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 857 -1.180 9.944 -0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -2.029 7.632 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.768 8.471 -1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.480 7.273 -2.267 1.00 0.00 H new ATOM 1128 N VAL A 858 1.377 8.099 -1.706 1.00 0.00 N ATOM 1129 CA VAL A 858 2.642 7.547 -1.234 1.00 0.00 C ATOM 1130 C VAL A 858 3.585 8.652 -0.772 1.00 0.00 C ATOM 1131 O VAL A 858 4.300 8.497 0.218 1.00 0.00 O ATOM 1132 CB VAL A 858 3.337 6.719 -2.331 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.697 6.234 -1.854 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.461 5.548 -2.750 1.00 0.00 C ATOM 0 H VAL A 858 1.248 8.055 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 858 2.409 6.896 -0.391 1.00 0.00 H new ATOM 0 HB VAL A 858 3.491 7.358 -3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 858 5.173 5.651 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.324 7.092 -1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.571 5.611 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 858 2.968 4.974 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 858 2.274 4.907 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.513 5.923 -3.137 1.00 0.00 H new ATOM 1144 N MET A 859 3.581 9.767 -1.495 1.00 0.00 N ATOM 1145 CA MET A 859 4.436 10.899 -1.157 1.00 0.00 C ATOM 1146 C MET A 859 3.996 11.541 0.155 1.00 0.00 C ATOM 1147 O MET A 859 4.809 12.112 0.882 1.00 0.00 O ATOM 1148 CB MET A 859 4.410 11.938 -2.280 1.00 0.00 C ATOM 1149 CG MET A 859 5.470 11.708 -3.345 1.00 0.00 C ATOM 1150 SD MET A 859 5.902 13.217 -4.233 1.00 0.00 S ATOM 1151 CE MET A 859 7.633 13.380 -3.800 1.00 0.00 C ATOM 0 H MET A 859 2.996 9.911 -2.318 1.00 0.00 H new ATOM 0 HA MET A 859 5.454 10.529 -1.036 1.00 0.00 H new ATOM 0 HB2 MET A 859 3.427 11.929 -2.750 1.00 0.00 H new ATOM 0 HB3 MET A 859 4.548 12.930 -1.850 1.00 0.00 H new ATOM 0 HG2 MET A 859 6.365 11.297 -2.878 1.00 0.00 H new ATOM 0 HG3 MET A 859 5.110 10.964 -4.055 1.00 0.00 H new ATOM 0 HE1 MET A 859 8.045 14.271 -4.275 1.00 0.00 H new ATOM 0 HE2 MET A 859 7.731 13.468 -2.718 1.00 0.00 H new ATOM 0 HE3 MET A 859 8.178 12.501 -4.143 1.00 0.00 H new ATOM 1161 N LYS A 860 2.705 11.443 0.452 1.00 0.00 N ATOM 1162 CA LYS A 860 2.156 12.013 1.677 1.00 0.00 C ATOM 1163 C LYS A 860 2.214 11.004 2.820 1.00 0.00 C ATOM 1164 O LYS A 860 2.819 11.265 3.859 1.00 0.00 O ATOM 1165 CB LYS A 860 0.710 12.461 1.452 1.00 0.00 C ATOM 1166 CG LYS A 860 0.589 13.733 0.629 1.00 0.00 C ATOM 1167 CD LYS A 860 0.636 14.972 1.507 1.00 0.00 C ATOM 1168 CE LYS A 860 0.008 16.171 0.814 1.00 0.00 C ATOM 1169 NZ LYS A 860 -1.468 16.024 0.681 1.00 0.00 N ATOM 0 H LYS A 860 2.019 10.974 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 860 2.760 12.879 1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.164 11.661 0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.232 12.617 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.397 13.773 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.346 13.718 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 860 0.112 14.776 2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 860 1.671 15.199 1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 860 0.234 17.076 1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 860 0.451 16.293 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -1.896 16.957 0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -1.684 15.393 -0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -1.857 15.619 1.557 1.00 0.00 H new ATOM 1183 N MET A 861 1.583 9.852 2.619 1.00 0.00 N ATOM 1184 CA MET A 861 1.566 8.804 3.632 1.00 0.00 C ATOM 1185 C MET A 861 2.984 8.421 4.042 1.00 0.00 C ATOM 1186 O MET A 861 3.243 8.116 5.207 1.00 0.00 O ATOM 1187 CB MET A 861 0.823 7.572 3.110 1.00 0.00 C ATOM 1188 CG MET A 861 -0.689 7.725 3.118 1.00 0.00 C ATOM 1189 SD MET A 861 -1.548 6.141 3.081 1.00 0.00 S ATOM 1190 CE MET A 861 -3.240 6.666 3.345 1.00 0.00 C ATOM 0 H MET A 861 1.077 9.621 1.764 1.00 0.00 H new ATOM 0 HA MET A 861 1.045 9.189 4.508 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.153 7.363 2.093 1.00 0.00 H new ATOM 0 HB3 MET A 861 1.096 6.709 3.717 1.00 0.00 H new ATOM 0 HG2 MET A 861 -0.990 8.276 4.009 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.995 8.320 2.257 1.00 0.00 H new ATOM 0 HE1 MET A 861 -3.865 5.795 3.543 1.00 0.00 H new ATOM 0 HE2 MET A 861 -3.282 7.344 4.198 1.00 0.00 H new ATOM 0 HE3 MET A 861 -3.605 7.180 2.455 1.00 0.00 H new ATOM 1200 N ASP A 862 3.899 8.439 3.079 1.00 0.00 N ATOM 1201 CA ASP A 862 5.291 8.094 3.341 1.00 0.00 C ATOM 1202 C ASP A 862 5.841 8.904 4.511 1.00 0.00 C ATOM 1203 O ASP A 862 6.002 10.120 4.416 1.00 0.00 O ATOM 1204 CB ASP A 862 6.142 8.336 2.093 1.00 0.00 C ATOM 1205 CG ASP A 862 7.627 8.351 2.398 1.00 0.00 C ATOM 1206 OD1 ASP A 862 8.212 7.258 2.552 1.00 0.00 O ATOM 1207 OD2 ASP A 862 8.204 9.454 2.482 1.00 0.00 O ATOM 0 H ASP A 862 3.702 8.689 2.110 1.00 0.00 H new ATOM 0 HA ASP A 862 5.334 7.037 3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 862 5.933 7.559 1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 862 5.857 9.286 1.641 1.00 0.00 H new ATOM 1212 N GLY A 863 6.126 8.220 5.615 1.00 0.00 N ATOM 1213 CA GLY A 863 6.653 8.892 6.788 1.00 0.00 C ATOM 1214 C GLY A 863 5.632 9.800 7.444 1.00 0.00 C ATOM 1215 O GLY A 863 5.922 10.958 7.742 1.00 0.00 O ATOM 0 H GLY A 863 6.001 7.213 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 863 6.989 8.147 7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.527 9.478 6.505 1.00 0.00 H new ATOM 1219 N MET A 864 4.432 9.274 7.668 1.00 0.00 N ATOM 1220 CA MET A 864 3.364 10.047 8.292 1.00 0.00 C ATOM 1221 C MET A 864 3.066 9.527 9.695 1.00 0.00 C ATOM 1222 O MET A 864 3.222 8.338 9.974 1.00 0.00 O ATOM 1223 CB MET A 864 2.098 9.992 7.435 1.00 0.00 C ATOM 1224 CG MET A 864 1.298 8.712 7.614 1.00 0.00 C ATOM 1225 SD MET A 864 -0.351 8.817 6.892 1.00 0.00 S ATOM 1226 CE MET A 864 -1.201 9.791 8.131 1.00 0.00 C ATOM 0 H MET A 864 4.175 8.317 7.427 1.00 0.00 H new ATOM 0 HA MET A 864 3.696 11.082 8.370 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.465 10.844 7.682 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.375 10.094 6.386 1.00 0.00 H new ATOM 0 HG2 MET A 864 1.839 7.883 7.157 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.211 8.488 8.677 1.00 0.00 H new ATOM 0 HE1 MET A 864 -2.118 9.282 8.428 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.557 9.915 9.001 1.00 0.00 H new ATOM 0 HE3 MET A 864 -1.447 10.770 7.719 1.00 0.00 H new ATOM 1236 N THR A 865 2.635 10.425 10.575 1.00 0.00 N ATOM 1237 CA THR A 865 2.316 10.057 11.949 1.00 0.00 C ATOM 1238 C THR A 865 0.851 9.662 12.086 1.00 0.00 C ATOM 1239 O THR A 865 -0.042 10.393 11.657 1.00 0.00 O ATOM 1240 CB THR A 865 2.618 11.211 12.924 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.840 11.860 12.552 1.00 0.00 O ATOM 1242 CG2 THR A 865 2.725 10.699 14.352 1.00 0.00 C ATOM 0 H THR A 865 2.499 11.413 10.361 1.00 0.00 H new ATOM 0 HA THR A 865 2.945 9.203 12.202 1.00 0.00 H new ATOM 0 HB THR A 865 1.797 11.926 12.871 1.00 0.00 H new ATOM 0 HG1 THR A 865 4.024 12.593 13.176 1.00 0.00 H new ATOM 0 HG21 THR A 865 2.939 11.532 15.022 1.00 0.00 H new ATOM 0 HG22 THR A 865 1.784 10.232 14.642 1.00 0.00 H new ATOM 0 HG23 THR A 865 3.529 9.966 14.416 1.00 0.00 H new ATOM 1250 N ILE A 866 0.610 8.501 12.687 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.749 8.010 12.882 1.00 0.00 C ATOM 1252 C ILE A 866 -0.940 7.470 14.295 1.00 0.00 C ATOM 1253 O ILE A 866 -0.349 6.457 14.670 1.00 0.00 O ATOM 1254 CB ILE A 866 -1.098 6.904 11.869 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -1.136 7.474 10.450 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.431 6.262 12.224 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -1.219 6.414 9.374 1.00 0.00 C ATOM 0 H ILE A 866 1.338 7.883 13.047 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.417 8.857 12.726 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.325 6.137 11.911 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -1.993 8.141 10.358 1.00 0.00 H new ATOM 0 HG13 ILE A 866 -0.243 8.078 10.286 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.664 5.482 11.499 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -2.370 5.824 13.220 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -3.215 7.019 12.207 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -1.242 6.891 8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.349 5.761 9.439 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -2.126 5.825 9.512 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.772 8.151 15.075 1.00 0.00 N ATOM 1270 CA LYS A 867 -2.046 7.739 16.447 1.00 0.00 C ATOM 1271 C LYS A 867 -0.757 7.661 17.259 1.00 0.00 C ATOM 1272 O LYS A 867 -0.614 6.805 18.131 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.754 6.382 16.462 1.00 0.00 C ATOM 1274 CG LYS A 867 -4.103 6.392 15.764 1.00 0.00 C ATOM 1275 CD LYS A 867 -5.220 6.786 16.717 1.00 0.00 C ATOM 1276 CE LYS A 867 -6.543 6.954 15.985 1.00 0.00 C ATOM 1277 NZ LYS A 867 -6.702 8.329 15.435 1.00 0.00 N ATOM 0 H LYS A 867 -2.269 8.992 14.780 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.696 8.486 16.902 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -2.113 5.642 15.984 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -2.892 6.065 17.496 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -4.075 7.089 14.926 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -4.307 5.404 15.351 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -5.325 6.025 17.491 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -4.960 7.718 17.219 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -6.604 6.229 15.173 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -7.365 6.738 16.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -7.616 8.403 14.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -6.670 9.020 16.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -5.932 8.526 14.765 1.00 0.00 H new ATOM 1291 N GLU A 868 0.176 8.561 16.967 1.00 0.00 N ATOM 1292 CA GLU A 868 1.453 8.593 17.672 1.00 0.00 C ATOM 1293 C GLU A 868 2.355 7.450 17.215 1.00 0.00 C ATOM 1294 O GLU A 868 2.929 6.734 18.035 1.00 0.00 O ATOM 1295 CB GLU A 868 1.228 8.509 19.183 1.00 0.00 C ATOM 1296 CG GLU A 868 2.343 9.140 20.000 1.00 0.00 C ATOM 1297 CD GLU A 868 2.639 10.566 19.579 1.00 0.00 C ATOM 1298 OE1 GLU A 868 1.948 11.484 20.068 1.00 0.00 O ATOM 1299 OE2 GLU A 868 3.561 10.765 18.760 1.00 0.00 O ATOM 0 H GLU A 868 0.072 9.277 16.248 1.00 0.00 H new ATOM 0 HA GLU A 868 1.946 9.537 17.438 1.00 0.00 H new ATOM 0 HB2 GLU A 868 0.286 8.999 19.429 1.00 0.00 H new ATOM 0 HB3 GLU A 868 1.127 7.462 19.469 1.00 0.00 H new ATOM 0 HG2 GLU A 868 2.068 9.126 21.055 1.00 0.00 H new ATOM 0 HG3 GLU A 868 3.247 8.540 19.898 1.00 0.00 H new ATOM 1306 N ASN A 869 2.474 7.286 15.902 1.00 0.00 N ATOM 1307 CA ASN A 869 3.305 6.230 15.336 1.00 0.00 C ATOM 1308 C ASN A 869 3.706 6.563 13.902 1.00 0.00 C ATOM 1309 O ASN A 869 2.860 6.620 13.008 1.00 0.00 O ATOM 1310 CB ASN A 869 2.562 4.893 15.373 1.00 0.00 C ATOM 1311 CG ASN A 869 3.500 3.707 15.255 1.00 0.00 C ATOM 1312 OD1 ASN A 869 4.266 3.600 14.297 1.00 0.00 O ATOM 1313 ND2 ASN A 869 3.443 2.808 16.231 1.00 0.00 N ATOM 0 H ASN A 869 2.006 7.871 15.210 1.00 0.00 H new ATOM 0 HA ASN A 869 4.210 6.152 15.938 1.00 0.00 H new ATOM 0 HB2 ASN A 869 2.001 4.818 16.305 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.836 4.861 14.560 1.00 0.00 H new ATOM 0 HD21 ASN A 869 4.050 1.988 16.205 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.793 2.937 17.006 1.00 0.00 H new ATOM 1320 N ILE A 870 4.999 6.780 13.690 1.00 0.00 N ATOM 1321 CA ILE A 870 5.511 7.105 12.364 1.00 0.00 C ATOM 1322 C ILE A 870 5.452 5.894 11.440 1.00 0.00 C ATOM 1323 O ILE A 870 6.184 4.922 11.626 1.00 0.00 O ATOM 1324 CB ILE A 870 6.963 7.615 12.432 1.00 0.00 C ATOM 1325 CG1 ILE A 870 6.992 9.085 12.855 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.652 7.432 11.087 1.00 0.00 C ATOM 1327 CD1 ILE A 870 6.757 9.292 14.334 1.00 0.00 C ATOM 0 H ILE A 870 5.711 6.737 14.419 1.00 0.00 H new ATOM 0 HA ILE A 870 4.875 7.895 11.964 1.00 0.00 H new ATOM 0 HB ILE A 870 7.502 7.031 13.178 1.00 0.00 H new ATOM 0 HG12 ILE A 870 7.957 9.513 12.585 1.00 0.00 H new ATOM 0 HG13 ILE A 870 6.233 9.631 12.295 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.677 7.797 11.151 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.659 6.375 10.823 1.00 0.00 H new ATOM 0 HG23 ILE A 870 7.114 7.993 10.323 1.00 0.00 H new ATOM 0 HD11 ILE A 870 6.791 10.357 14.562 1.00 0.00 H new ATOM 0 HD12 ILE A 870 5.780 8.894 14.606 1.00 0.00 H new ATOM 0 HD13 ILE A 870 7.531 8.774 14.901 1.00 0.00 H new ATOM 1339 N ILE A 871 4.577 5.961 10.442 1.00 0.00 N ATOM 1340 CA ILE A 871 4.424 4.871 9.487 1.00 0.00 C ATOM 1341 C ILE A 871 5.111 5.198 8.165 1.00 0.00 C ATOM 1342 O ILE A 871 5.133 6.351 7.733 1.00 0.00 O ATOM 1343 CB ILE A 871 2.939 4.562 9.218 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.354 5.579 8.236 1.00 0.00 C ATOM 1345 CG2 ILE A 871 2.154 4.563 10.520 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.704 5.295 6.792 1.00 0.00 C ATOM 0 H ILE A 871 3.964 6.758 10.274 1.00 0.00 H new ATOM 0 HA ILE A 871 4.894 3.994 9.931 1.00 0.00 H new ATOM 0 HB ILE A 871 2.864 3.570 8.772 1.00 0.00 H new ATOM 0 HG12 ILE A 871 1.269 5.592 8.343 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.713 6.574 8.499 1.00 0.00 H new ATOM 0 HG21 ILE A 871 1.107 4.343 10.314 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.559 3.804 11.190 1.00 0.00 H new ATOM 0 HG23 ILE A 871 2.233 5.542 10.992 1.00 0.00 H new ATOM 0 HD11 ILE A 871 2.256 6.056 6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.787 5.311 6.670 1.00 0.00 H new ATOM 0 HD13 ILE A 871 2.321 4.314 6.511 1.00 0.00 H new ATOM 1358 N LYS A 872 5.670 4.176 7.526 1.00 0.00 N ATOM 1359 CA LYS A 872 6.356 4.352 6.252 1.00 0.00 C ATOM 1360 C LYS A 872 5.581 3.684 5.120 1.00 0.00 C ATOM 1361 O LYS A 872 4.900 2.680 5.329 1.00 0.00 O ATOM 1362 CB LYS A 872 7.771 3.774 6.326 1.00 0.00 C ATOM 1363 CG LYS A 872 8.567 3.950 5.045 1.00 0.00 C ATOM 1364 CD LYS A 872 9.683 2.924 4.937 1.00 0.00 C ATOM 1365 CE LYS A 872 10.263 2.877 3.532 1.00 0.00 C ATOM 1366 NZ LYS A 872 11.004 4.124 3.196 1.00 0.00 N ATOM 0 H LYS A 872 5.661 3.216 7.870 1.00 0.00 H new ATOM 0 HA LYS A 872 6.417 5.421 6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 872 8.307 4.252 7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.709 2.712 6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 872 7.902 3.857 4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 872 8.990 4.954 5.013 1.00 0.00 H new ATOM 0 HD2 LYS A 872 10.472 3.166 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 872 9.301 1.940 5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 872 10.933 2.022 3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 872 9.459 2.727 2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 11.384 4.053 2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 10.359 4.938 3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 11.787 4.254 3.868 1.00 0.00 H new ATOM 1380 N VAL A 873 5.691 4.247 3.921 1.00 0.00 N ATOM 1381 CA VAL A 873 5.003 3.704 2.756 1.00 0.00 C ATOM 1382 C VAL A 873 5.997 3.207 1.712 1.00 0.00 C ATOM 1383 O VAL A 873 7.153 3.629 1.691 1.00 0.00 O ATOM 1384 CB VAL A 873 4.079 4.754 2.110 1.00 0.00 C ATOM 1385 CG1 VAL A 873 3.249 4.125 1.001 1.00 0.00 C ATOM 1386 CG2 VAL A 873 3.184 5.394 3.160 1.00 0.00 C ATOM 0 H VAL A 873 6.250 5.079 3.731 1.00 0.00 H new ATOM 0 HA VAL A 873 4.400 2.866 3.107 1.00 0.00 H new ATOM 0 HB VAL A 873 4.698 5.535 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 873 2.603 4.882 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 873 3.911 3.719 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.638 3.323 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 873 2.538 6.133 2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.571 4.626 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.800 5.882 3.915 1.00 0.00 H new ATOM 1396 N ALA A 874 5.539 2.308 0.847 1.00 0.00 N ATOM 1397 CA ALA A 874 6.387 1.755 -0.201 1.00 0.00 C ATOM 1398 C ALA A 874 5.550 1.157 -1.327 1.00 0.00 C ATOM 1399 O ALA A 874 4.637 0.368 -1.082 1.00 0.00 O ATOM 1400 CB ALA A 874 7.324 0.705 0.377 1.00 0.00 C ATOM 0 H ALA A 874 4.585 1.947 0.852 1.00 0.00 H new ATOM 0 HA ALA A 874 6.982 2.567 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 874 7.951 0.301 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 874 7.954 1.161 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 874 6.739 -0.100 0.822 1.00 0.00 H new ATOM 1406 N ILE A 875 5.866 1.539 -2.559 1.00 0.00 N ATOM 1407 CA ILE A 875 5.142 1.040 -3.722 1.00 0.00 C ATOM 1408 C ILE A 875 5.282 -0.474 -3.848 1.00 0.00 C ATOM 1409 O ILE A 875 6.377 -0.990 -4.071 1.00 0.00 O ATOM 1410 CB ILE A 875 5.640 1.700 -5.021 1.00 0.00 C ATOM 1411 CG1 ILE A 875 5.431 3.215 -4.961 1.00 0.00 C ATOM 1412 CG2 ILE A 875 4.922 1.108 -6.225 1.00 0.00 C ATOM 1413 CD1 ILE A 875 3.976 3.626 -4.992 1.00 0.00 C ATOM 0 H ILE A 875 6.618 2.192 -2.778 1.00 0.00 H new ATOM 0 HA ILE A 875 4.093 1.295 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 875 6.707 1.503 -5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 875 5.890 3.601 -4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 875 5.949 3.679 -5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.285 1.585 -7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 875 5.116 0.037 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 875 3.850 1.278 -6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 875 3.904 4.713 -4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 875 3.517 3.270 -5.914 1.00 0.00 H new ATOM 0 HD13 ILE A 875 3.457 3.192 -4.138 1.00 0.00 H new ATOM 1425 N SER A 876 4.165 -1.180 -3.707 1.00 0.00 N ATOM 1426 CA SER A 876 4.163 -2.635 -3.803 1.00 0.00 C ATOM 1427 C SER A 876 4.688 -3.090 -5.162 1.00 0.00 C ATOM 1428 O SER A 876 3.914 -3.359 -6.080 1.00 0.00 O ATOM 1429 CB SER A 876 2.750 -3.179 -3.581 1.00 0.00 C ATOM 1430 OG SER A 876 2.498 -3.396 -2.204 1.00 0.00 O ATOM 0 H SER A 876 3.250 -0.768 -3.526 1.00 0.00 H new ATOM 0 HA SER A 876 4.822 -3.027 -3.028 1.00 0.00 H new ATOM 0 HB2 SER A 876 2.019 -2.476 -3.981 1.00 0.00 H new ATOM 0 HB3 SER A 876 2.627 -4.114 -4.128 1.00 0.00 H new ATOM 0 HG SER A 876 1.678 -3.922 -2.100 1.00 0.00 H new