USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 609 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 821 CYS SG : rot 45:sc= 0.407 USER MOD Set 1.2: A 861 MET CE :methyl -168:sc=-0.000797 (180deg=-0.0176) USER MOD Single : A 801 HIS : no HD1:sc= -2.04 K(o=-2,f=-3.7!) USER MOD Single : A 802 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 806 SER OG : rot 180:sc= -0.277 USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 812 CYS SG : rot -140:sc= -0.457 USER MOD Single : A 813 THR OG1 : rot 180:sc= 0 USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 822 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 824 HIS : no HD1:sc= -0.0275 X(o=-0.028,f=0) USER MOD Single : A 826 THR OG1 : rot 180:sc= 0 USER MOD Single : A 828 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 834 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.9!) USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 841 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0172) USER MOD Single : A 845 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 TYR OH : rot -134:sc= 0.718 USER MOD Single : A 850 ASN : amide:sc= -0.0248 K(o=-0.025,f=-0.67) USER MOD Single : A 852 SER OG : rot 180:sc= 0 USER MOD Single : A 853 GLN : amide:sc= 0.0255 K(o=0.025,f=-2.6) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 MET CE :methyl -145:sc= -0.344 (180deg=-1.65!) 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= -0.43 K(o=-0.43,f=-2.2) USER MOD Single : A 872 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 876 SER OG : rot 140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N HIS A 801 0.451 0.487 -8.949 1.00 0.00 N ATOM 240 CA HIS A 801 -0.699 1.190 -8.392 1.00 0.00 C ATOM 241 C HIS A 801 -0.871 0.860 -6.912 1.00 0.00 C ATOM 242 O HIS A 801 -1.014 1.755 -6.078 1.00 0.00 O ATOM 243 CB HIS A 801 -1.969 0.823 -9.159 1.00 0.00 C ATOM 244 CG HIS A 801 -2.340 -0.623 -9.047 1.00 0.00 C ATOM 245 ND1 HIS A 801 -1.573 -1.640 -9.575 1.00 0.00 N ATOM 246 CD2 HIS A 801 -3.404 -1.221 -8.462 1.00 0.00 C ATOM 247 CE1 HIS A 801 -2.150 -2.801 -9.320 1.00 0.00 C ATOM 248 NE2 HIS A 801 -3.262 -2.575 -8.646 1.00 0.00 N ATOM 0 HA HIS A 801 -0.522 2.261 -8.490 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -2.795 1.431 -8.790 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -1.834 1.074 -10.211 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -4.214 -0.726 -7.947 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -1.775 -3.770 -9.613 1.00 0.00 H new ATOM 0 HE2 HIS A 801 -3.911 -3.290 -8.315 1.00 0.00 H new ATOM 256 N LYS A 802 -0.859 -0.429 -6.593 1.00 0.00 N ATOM 257 CA LYS A 802 -1.013 -0.879 -5.214 1.00 0.00 C ATOM 258 C LYS A 802 0.015 -0.212 -4.306 1.00 0.00 C ATOM 259 O LYS A 802 1.033 0.299 -4.775 1.00 0.00 O ATOM 260 CB LYS A 802 -0.871 -2.400 -5.133 1.00 0.00 C ATOM 261 CG LYS A 802 -2.150 -3.149 -5.465 1.00 0.00 C ATOM 262 CD LYS A 802 -2.152 -4.545 -4.864 1.00 0.00 C ATOM 263 CE LYS A 802 -3.550 -5.144 -4.849 1.00 0.00 C ATOM 264 NZ LYS A 802 -3.641 -6.315 -3.934 1.00 0.00 N ATOM 0 H LYS A 802 -0.744 -1.182 -7.271 1.00 0.00 H new ATOM 0 HA LYS A 802 -2.009 -0.595 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 802 -0.085 -2.720 -5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -0.550 -2.674 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -3.008 -2.590 -5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -2.262 -3.218 -6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -1.485 -5.190 -5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -1.761 -4.505 -3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -4.267 -4.384 -4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -3.825 -5.449 -5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -4.609 -6.695 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -2.975 -7.051 -4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -3.403 -6.018 -2.966 1.00 0.00 H new ATOM 278 N LEU A 803 -0.256 -0.222 -3.006 1.00 0.00 N ATOM 279 CA LEU A 803 0.647 0.381 -2.031 1.00 0.00 C ATOM 280 C LEU A 803 0.862 -0.549 -0.841 1.00 0.00 C ATOM 281 O LEU A 803 -0.016 -1.336 -0.488 1.00 0.00 O ATOM 282 CB LEU A 803 0.089 1.722 -1.551 1.00 0.00 C ATOM 283 CG LEU A 803 -0.491 2.634 -2.633 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.310 3.751 -2.006 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.621 3.207 -3.500 1.00 0.00 C ATOM 0 H LEU A 803 -1.094 -0.641 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 803 1.608 0.548 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -0.690 1.526 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 803 0.885 2.261 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 803 -1.149 2.041 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -1.715 4.390 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -2.129 3.322 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -0.674 4.343 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 803 0.190 3.853 -4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.305 3.786 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 803 1.166 2.393 -3.978 1.00 0.00 H new ATOM 297 N PHE A 804 2.036 -0.450 -0.225 1.00 0.00 N ATOM 298 CA PHE A 804 2.366 -1.282 0.927 1.00 0.00 C ATOM 299 C PHE A 804 2.711 -0.420 2.138 1.00 0.00 C ATOM 300 O PHE A 804 3.815 0.116 2.238 1.00 0.00 O ATOM 301 CB PHE A 804 3.539 -2.207 0.595 1.00 0.00 C ATOM 302 CG PHE A 804 4.258 -2.722 1.809 1.00 0.00 C ATOM 303 CD1 PHE A 804 3.787 -3.832 2.490 1.00 0.00 C ATOM 304 CD2 PHE A 804 5.405 -2.095 2.268 1.00 0.00 C ATOM 305 CE1 PHE A 804 4.447 -4.309 3.607 1.00 0.00 C ATOM 306 CE2 PHE A 804 6.069 -2.567 3.385 1.00 0.00 C ATOM 307 CZ PHE A 804 5.589 -3.675 4.055 1.00 0.00 C ATOM 0 H PHE A 804 2.774 0.197 -0.504 1.00 0.00 H new ATOM 0 HA PHE A 804 1.492 -1.887 1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 804 3.171 -3.053 0.014 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.247 -1.670 -0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 804 2.894 -4.331 2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 804 5.785 -1.228 1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 804 4.070 -5.176 4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 804 6.962 -2.070 3.733 1.00 0.00 H new ATOM 0 HZ PHE A 804 6.106 -4.045 4.928 1.00 0.00 H new ATOM 317 N ILE A 805 1.758 -0.292 3.055 1.00 0.00 N ATOM 318 CA ILE A 805 1.960 0.504 4.260 1.00 0.00 C ATOM 319 C ILE A 805 2.395 -0.372 5.430 1.00 0.00 C ATOM 320 O ILE A 805 1.867 -1.466 5.631 1.00 0.00 O ATOM 321 CB ILE A 805 0.681 1.267 4.652 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.020 1.868 3.410 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.003 2.354 5.666 1.00 0.00 C ATOM 324 CD1 ILE A 805 -0.960 2.978 3.724 1.00 0.00 C ATOM 0 H ILE A 805 0.839 -0.729 2.987 1.00 0.00 H new ATOM 0 HA ILE A 805 2.747 1.223 4.035 1.00 0.00 H new ATOM 0 HB ILE A 805 -0.017 0.566 5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 805 0.794 2.255 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 805 -0.499 1.079 2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 805 0.089 2.885 5.933 1.00 0.00 H new ATOM 0 HG22 ILE A 805 1.435 1.902 6.559 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.716 3.055 5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -1.390 3.357 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.755 2.592 4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 805 -0.441 3.786 4.240 1.00 0.00 H new ATOM 336 N SER A 806 3.360 0.118 6.202 1.00 0.00 N ATOM 337 CA SER A 806 3.867 -0.621 7.353 1.00 0.00 C ATOM 338 C SER A 806 4.099 0.311 8.538 1.00 0.00 C ATOM 339 O SER A 806 4.216 1.525 8.374 1.00 0.00 O ATOM 340 CB SER A 806 5.170 -1.338 6.991 1.00 0.00 C ATOM 341 OG SER A 806 5.482 -2.340 7.943 1.00 0.00 O ATOM 0 H SER A 806 3.806 1.023 6.052 1.00 0.00 H new ATOM 0 HA SER A 806 3.119 -1.361 7.637 1.00 0.00 H new ATOM 0 HB2 SER A 806 5.079 -1.787 6.002 1.00 0.00 H new ATOM 0 HB3 SER A 806 5.984 -0.615 6.939 1.00 0.00 H new ATOM 0 HG SER A 806 6.318 -2.784 7.688 1.00 0.00 H new ATOM 347 N GLY A 807 4.163 -0.266 9.734 1.00 0.00 N ATOM 348 CA GLY A 807 4.380 0.526 10.930 1.00 0.00 C ATOM 349 C GLY A 807 3.082 0.983 11.566 1.00 0.00 C ATOM 350 O GLY A 807 3.078 1.495 12.686 1.00 0.00 O ATOM 0 H GLY A 807 4.068 -1.269 9.896 1.00 0.00 H new ATOM 0 HA2 GLY A 807 4.948 -0.060 11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 807 4.985 1.397 10.680 1.00 0.00 H new ATOM 354 N LEU A 808 1.978 0.802 10.849 1.00 0.00 N ATOM 355 CA LEU A 808 0.668 1.201 11.349 1.00 0.00 C ATOM 356 C LEU A 808 0.439 0.670 12.761 1.00 0.00 C ATOM 357 O LEU A 808 0.824 -0.449 13.100 1.00 0.00 O ATOM 358 CB LEU A 808 -0.433 0.692 10.417 1.00 0.00 C ATOM 359 CG LEU A 808 -0.572 1.423 9.081 1.00 0.00 C ATOM 360 CD1 LEU A 808 -1.316 0.560 8.074 1.00 0.00 C ATOM 361 CD2 LEU A 808 -1.283 2.755 9.274 1.00 0.00 C ATOM 0 H LEU A 808 1.965 0.382 9.920 1.00 0.00 H new ATOM 0 HA LEU A 808 0.635 2.290 11.380 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -0.250 -0.363 10.214 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -1.385 0.755 10.944 1.00 0.00 H new ATOM 0 HG LEU A 808 0.427 1.620 8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -1.405 1.097 7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -0.766 -0.367 7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -2.311 0.331 8.456 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -1.373 3.262 8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -2.277 2.581 9.687 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -0.709 3.378 9.960 1.00 0.00 H new ATOM 373 N PRO A 809 -0.205 1.490 13.605 1.00 0.00 N ATOM 374 CA PRO A 809 -0.502 1.124 14.993 1.00 0.00 C ATOM 375 C PRO A 809 -1.563 0.032 15.090 1.00 0.00 C ATOM 376 O PRO A 809 -2.499 -0.010 14.292 1.00 0.00 O ATOM 377 CB PRO A 809 -1.022 2.429 15.601 1.00 0.00 C ATOM 378 CG PRO A 809 -1.559 3.199 14.444 1.00 0.00 C ATOM 379 CD PRO A 809 -0.693 2.838 13.269 1.00 0.00 C ATOM 0 HA PRO A 809 0.372 0.718 15.503 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -1.797 2.239 16.344 1.00 0.00 H new ATOM 0 HB3 PRO A 809 -0.225 2.976 16.105 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -2.601 2.942 14.254 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -1.525 4.271 14.639 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -1.259 2.840 12.337 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.129 3.543 13.144 1.00 0.00 H new ATOM 387 N PHE A 810 -1.410 -0.849 16.072 1.00 0.00 N ATOM 388 CA PHE A 810 -2.355 -1.942 16.273 1.00 0.00 C ATOM 389 C PHE A 810 -3.782 -1.414 16.377 1.00 0.00 C ATOM 390 O PHE A 810 -4.740 -2.116 16.053 1.00 0.00 O ATOM 391 CB PHE A 810 -1.996 -2.729 17.535 1.00 0.00 C ATOM 392 CG PHE A 810 -0.520 -2.953 17.703 1.00 0.00 C ATOM 393 CD1 PHE A 810 0.234 -3.491 16.672 1.00 0.00 C ATOM 394 CD2 PHE A 810 0.113 -2.626 18.891 1.00 0.00 C ATOM 395 CE1 PHE A 810 1.592 -3.699 16.823 1.00 0.00 C ATOM 396 CE2 PHE A 810 1.471 -2.831 19.047 1.00 0.00 C ATOM 397 CZ PHE A 810 2.211 -3.369 18.013 1.00 0.00 C ATOM 0 H PHE A 810 -0.641 -0.828 16.742 1.00 0.00 H new ATOM 0 HA PHE A 810 -2.294 -2.606 15.410 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -2.376 -2.196 18.406 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -2.501 -3.695 17.507 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -0.245 -3.751 15.740 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -0.461 -2.206 19.704 1.00 0.00 H new ATOM 0 HE1 PHE A 810 2.168 -4.119 16.012 1.00 0.00 H new ATOM 0 HE2 PHE A 810 1.953 -2.570 19.978 1.00 0.00 H new ATOM 0 HZ PHE A 810 3.272 -3.532 18.134 1.00 0.00 H new ATOM 407 N SER A 811 -3.916 -0.173 16.834 1.00 0.00 N ATOM 408 CA SER A 811 -5.226 0.449 16.986 1.00 0.00 C ATOM 409 C SER A 811 -5.834 0.775 15.625 1.00 0.00 C ATOM 410 O SER A 811 -7.041 0.636 15.423 1.00 0.00 O ATOM 411 CB SER A 811 -5.116 1.723 17.826 1.00 0.00 C ATOM 412 OG SER A 811 -6.397 2.224 18.163 1.00 0.00 O ATOM 0 H SER A 811 -3.133 0.422 17.106 1.00 0.00 H new ATOM 0 HA SER A 811 -5.879 -0.259 17.497 1.00 0.00 H new ATOM 0 HB2 SER A 811 -4.553 1.515 18.736 1.00 0.00 H new ATOM 0 HB3 SER A 811 -4.560 2.480 17.273 1.00 0.00 H new ATOM 0 HG SER A 811 -6.299 3.037 18.701 1.00 0.00 H new ATOM 418 N CYS A 812 -4.990 1.208 14.696 1.00 0.00 N ATOM 419 CA CYS A 812 -5.443 1.555 13.353 1.00 0.00 C ATOM 420 C CYS A 812 -6.500 0.570 12.865 1.00 0.00 C ATOM 421 O CYS A 812 -6.408 -0.632 13.114 1.00 0.00 O ATOM 422 CB CYS A 812 -4.261 1.576 12.383 1.00 0.00 C ATOM 423 SG CYS A 812 -4.735 1.732 10.645 1.00 0.00 S ATOM 0 H CYS A 812 -3.988 1.327 14.847 1.00 0.00 H new ATOM 0 HA CYS A 812 -5.889 2.549 13.392 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -3.604 2.406 12.645 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -3.684 0.660 12.510 1.00 0.00 H new ATOM 0 HG CYS A 812 -3.978 0.965 9.918 1.00 0.00 H new ATOM 429 N THR A 813 -7.507 1.088 12.168 1.00 0.00 N ATOM 430 CA THR A 813 -8.584 0.256 11.647 1.00 0.00 C ATOM 431 C THR A 813 -8.795 0.499 10.157 1.00 0.00 C ATOM 432 O THR A 813 -8.481 1.573 9.642 1.00 0.00 O ATOM 433 CB THR A 813 -9.907 0.518 12.391 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.837 -0.538 12.123 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.509 1.850 11.970 1.00 0.00 C ATOM 0 H THR A 813 -7.599 2.081 11.951 1.00 0.00 H new ATOM 0 HA THR A 813 -8.287 -0.781 11.805 1.00 0.00 H new ATOM 0 HB THR A 813 -9.697 0.554 13.460 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.675 -0.365 12.601 1.00 0.00 H new ATOM 0 HG21 THR A 813 -11.443 2.014 12.508 1.00 0.00 H new ATOM 0 HG22 THR A 813 -9.811 2.654 12.202 1.00 0.00 H new ATOM 0 HG23 THR A 813 -10.706 1.838 10.898 1.00 0.00 H new ATOM 443 N LYS A 814 -9.329 -0.504 9.468 1.00 0.00 N ATOM 444 CA LYS A 814 -9.585 -0.399 8.036 1.00 0.00 C ATOM 445 C LYS A 814 -10.234 0.939 7.696 1.00 0.00 C ATOM 446 O LYS A 814 -9.698 1.716 6.906 1.00 0.00 O ATOM 447 CB LYS A 814 -10.484 -1.547 7.573 1.00 0.00 C ATOM 448 CG LYS A 814 -10.275 -1.934 6.119 1.00 0.00 C ATOM 449 CD LYS A 814 -11.538 -2.518 5.510 1.00 0.00 C ATOM 450 CE LYS A 814 -11.224 -3.389 4.303 1.00 0.00 C ATOM 451 NZ LYS A 814 -10.909 -4.790 4.697 1.00 0.00 N ATOM 0 H LYS A 814 -9.593 -1.400 9.879 1.00 0.00 H new ATOM 0 HA LYS A 814 -8.629 -0.461 7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -10.300 -2.418 8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -11.526 -1.263 7.719 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -9.967 -1.057 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -9.466 -2.661 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -12.065 -3.109 6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -12.207 -1.710 5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -12.075 -3.386 3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -10.379 -2.966 3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -10.701 -5.351 3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -10.081 -4.796 5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -11.725 -5.203 5.193 1.00 0.00 H new ATOM 465 N GLU A 815 -11.389 1.201 8.299 1.00 0.00 N ATOM 466 CA GLU A 815 -12.110 2.446 8.059 1.00 0.00 C ATOM 467 C GLU A 815 -11.152 3.634 8.038 1.00 0.00 C ATOM 468 O GLU A 815 -11.027 4.325 7.027 1.00 0.00 O ATOM 469 CB GLU A 815 -13.179 2.658 9.134 1.00 0.00 C ATOM 470 CG GLU A 815 -14.380 1.740 8.986 1.00 0.00 C ATOM 471 CD GLU A 815 -15.277 2.133 7.828 1.00 0.00 C ATOM 472 OE1 GLU A 815 -16.136 3.019 8.019 1.00 0.00 O ATOM 473 OE2 GLU A 815 -15.120 1.556 6.733 1.00 0.00 O ATOM 0 H GLU A 815 -11.845 0.569 8.957 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.594 2.374 7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.731 2.502 10.116 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.517 3.694 9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -14.034 0.716 8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -14.959 1.754 9.910 1.00 0.00 H new ATOM 480 N GLU A 816 -10.480 3.864 9.161 1.00 0.00 N ATOM 481 CA GLU A 816 -9.534 4.969 9.272 1.00 0.00 C ATOM 482 C GLU A 816 -8.706 5.107 7.997 1.00 0.00 C ATOM 483 O GLU A 816 -8.805 6.106 7.284 1.00 0.00 O ATOM 484 CB GLU A 816 -8.610 4.761 10.473 1.00 0.00 C ATOM 485 CG GLU A 816 -9.325 4.841 11.812 1.00 0.00 C ATOM 486 CD GLU A 816 -9.475 6.266 12.308 1.00 0.00 C ATOM 487 OE1 GLU A 816 -8.524 7.057 12.139 1.00 0.00 O ATOM 488 OE2 GLU A 816 -10.544 6.590 12.867 1.00 0.00 O ATOM 0 H GLU A 816 -10.572 3.301 10.006 1.00 0.00 H new ATOM 0 HA GLU A 816 -10.103 5.887 9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.128 3.787 10.386 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -7.820 5.511 10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -10.311 4.386 11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -8.773 4.259 12.550 1.00 0.00 H new ATOM 495 N LEU A 817 -7.890 4.096 7.717 1.00 0.00 N ATOM 496 CA LEU A 817 -7.044 4.103 6.529 1.00 0.00 C ATOM 497 C LEU A 817 -7.851 4.469 5.288 1.00 0.00 C ATOM 498 O LEU A 817 -7.533 5.432 4.591 1.00 0.00 O ATOM 499 CB LEU A 817 -6.387 2.735 6.339 1.00 0.00 C ATOM 500 CG LEU A 817 -5.065 2.726 5.572 1.00 0.00 C ATOM 501 CD1 LEU A 817 -4.019 3.556 6.301 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.573 1.300 5.373 1.00 0.00 C ATOM 0 H LEU A 817 -7.797 3.262 8.296 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.268 4.855 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.216 2.297 7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -7.091 2.086 5.818 1.00 0.00 H new ATOM 0 HG LEU A 817 -5.233 3.171 4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -3.085 3.538 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.368 4.585 6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -3.853 3.141 7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.631 1.313 4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.422 0.829 6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -5.314 0.735 4.807 1.00 0.00 H new ATOM 514 N GLU A 818 -8.898 3.695 5.019 1.00 0.00 N ATOM 515 CA GLU A 818 -9.751 3.939 3.862 1.00 0.00 C ATOM 516 C GLU A 818 -10.022 5.431 3.691 1.00 0.00 C ATOM 517 O GLU A 818 -9.741 6.006 2.641 1.00 0.00 O ATOM 518 CB GLU A 818 -11.074 3.183 4.007 1.00 0.00 C ATOM 519 CG GLU A 818 -11.732 2.848 2.679 1.00 0.00 C ATOM 520 CD GLU A 818 -13.211 2.546 2.821 1.00 0.00 C ATOM 521 OE1 GLU A 818 -13.548 1.469 3.356 1.00 0.00 O ATOM 522 OE2 GLU A 818 -14.032 3.387 2.398 1.00 0.00 O ATOM 0 H GLU A 818 -9.176 2.894 5.586 1.00 0.00 H new ATOM 0 HA GLU A 818 -9.229 3.578 2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -10.897 2.260 4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.762 3.783 4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -11.600 3.683 1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -11.230 1.988 2.236 1.00 0.00 H new ATOM 529 N GLU A 819 -10.571 6.050 4.732 1.00 0.00 N ATOM 530 CA GLU A 819 -10.881 7.474 4.696 1.00 0.00 C ATOM 531 C GLU A 819 -9.665 8.285 4.258 1.00 0.00 C ATOM 532 O GLU A 819 -9.780 9.209 3.451 1.00 0.00 O ATOM 533 CB GLU A 819 -11.356 7.950 6.071 1.00 0.00 C ATOM 534 CG GLU A 819 -12.758 7.483 6.425 1.00 0.00 C ATOM 535 CD GLU A 819 -13.836 8.364 5.824 1.00 0.00 C ATOM 536 OE1 GLU A 819 -14.233 9.348 6.483 1.00 0.00 O ATOM 537 OE2 GLU A 819 -14.283 8.070 4.695 1.00 0.00 O ATOM 0 H GLU A 819 -10.810 5.588 5.609 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.679 7.627 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -10.660 7.593 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -11.327 9.039 6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -12.895 6.459 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -12.869 7.468 7.509 1.00 0.00 H new ATOM 544 N ILE A 820 -8.502 7.933 4.795 1.00 0.00 N ATOM 545 CA ILE A 820 -7.265 8.627 4.459 1.00 0.00 C ATOM 546 C ILE A 820 -6.867 8.371 3.009 1.00 0.00 C ATOM 547 O ILE A 820 -6.342 9.257 2.333 1.00 0.00 O ATOM 548 CB ILE A 820 -6.109 8.195 5.381 1.00 0.00 C ATOM 549 CG1 ILE A 820 -6.424 8.556 6.834 1.00 0.00 C ATOM 550 CG2 ILE A 820 -4.807 8.845 4.938 1.00 0.00 C ATOM 551 CD1 ILE A 820 -5.519 7.874 7.836 1.00 0.00 C ATOM 0 H ILE A 820 -8.390 7.172 5.464 1.00 0.00 H new ATOM 0 HA ILE A 820 -7.452 9.692 4.599 1.00 0.00 H new ATOM 0 HB ILE A 820 -5.994 7.113 5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -6.341 9.636 6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -7.458 8.289 7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -4.000 8.530 5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -4.578 8.542 3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -4.909 9.929 4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -5.800 8.176 8.845 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -5.619 6.793 7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -4.485 8.161 7.646 1.00 0.00 H new ATOM 563 N CYS A 821 -7.121 7.156 2.538 1.00 0.00 N ATOM 564 CA CYS A 821 -6.791 6.783 1.167 1.00 0.00 C ATOM 565 C CYS A 821 -7.676 7.527 0.173 1.00 0.00 C ATOM 566 O CYS A 821 -7.185 8.264 -0.683 1.00 0.00 O ATOM 567 CB CYS A 821 -6.945 5.274 0.975 1.00 0.00 C ATOM 568 SG CYS A 821 -6.107 4.281 2.233 1.00 0.00 S ATOM 0 H CYS A 821 -7.554 6.412 3.085 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.754 7.061 0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -8.006 5.025 0.978 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.556 5.002 -0.006 1.00 0.00 H new ATOM 0 HG CYS A 821 -6.348 4.778 3.410 1.00 0.00 H new ATOM 574 N LYS A 822 -8.985 7.329 0.290 1.00 0.00 N ATOM 575 CA LYS A 822 -9.940 7.980 -0.598 1.00 0.00 C ATOM 576 C LYS A 822 -9.716 9.488 -0.627 1.00 0.00 C ATOM 577 O LYS A 822 -10.177 10.177 -1.537 1.00 0.00 O ATOM 578 CB LYS A 822 -11.372 7.675 -0.152 1.00 0.00 C ATOM 579 CG LYS A 822 -11.677 8.126 1.265 1.00 0.00 C ATOM 580 CD LYS A 822 -13.144 8.485 1.433 1.00 0.00 C ATOM 581 CE LYS A 822 -13.453 9.855 0.850 1.00 0.00 C ATOM 582 NZ LYS A 822 -14.869 10.251 1.087 1.00 0.00 N ATOM 0 H LYS A 822 -9.409 6.722 0.992 1.00 0.00 H new ATOM 0 HA LYS A 822 -9.788 7.589 -1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -12.068 8.160 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -11.546 6.602 -0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -11.413 7.333 1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -11.060 8.989 1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -13.762 7.732 0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -13.404 8.472 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -12.789 10.597 1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -13.252 9.848 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -15.040 11.190 0.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -15.503 9.557 0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -15.054 10.283 2.110 1.00 0.00 H new ATOM 596 N ALA A 823 -9.004 9.995 0.374 1.00 0.00 N ATOM 597 CA ALA A 823 -8.715 11.421 0.461 1.00 0.00 C ATOM 598 C ALA A 823 -7.748 11.854 -0.636 1.00 0.00 C ATOM 599 O ALA A 823 -7.790 12.993 -1.100 1.00 0.00 O ATOM 600 CB ALA A 823 -8.149 11.763 1.832 1.00 0.00 C ATOM 0 H ALA A 823 -8.617 9.439 1.136 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.649 11.964 0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -7.938 12.831 1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.875 11.500 2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -7.228 11.203 1.995 1.00 0.00 H new ATOM 606 N HIS A 824 -6.876 10.937 -1.045 1.00 0.00 N ATOM 607 CA HIS A 824 -5.898 11.225 -2.087 1.00 0.00 C ATOM 608 C HIS A 824 -6.470 10.919 -3.468 1.00 0.00 C ATOM 609 O HIS A 824 -6.421 11.754 -4.370 1.00 0.00 O ATOM 610 CB HIS A 824 -4.623 10.412 -1.858 1.00 0.00 C ATOM 611 CG HIS A 824 -4.023 10.608 -0.500 1.00 0.00 C ATOM 612 ND1 HIS A 824 -3.442 11.792 -0.098 1.00 0.00 N ATOM 613 CD2 HIS A 824 -3.919 9.763 0.552 1.00 0.00 C ATOM 614 CE1 HIS A 824 -3.004 11.666 1.142 1.00 0.00 C ATOM 615 NE2 HIS A 824 -3.281 10.444 1.560 1.00 0.00 N ATOM 0 H HIS A 824 -6.827 9.989 -0.671 1.00 0.00 H new ATOM 0 HA HIS A 824 -5.656 12.287 -2.041 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -4.846 9.354 -1.998 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -3.887 10.685 -2.614 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -4.272 8.743 0.592 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -2.504 12.432 1.716 1.00 0.00 H new ATOM 0 HE2 HIS A 824 -3.058 10.067 2.481 1.00 0.00 H new ATOM 623 N GLY A 825 -7.011 9.715 -3.626 1.00 0.00 N ATOM 624 CA GLY A 825 -7.583 9.320 -4.900 1.00 0.00 C ATOM 625 C GLY A 825 -8.760 8.378 -4.740 1.00 0.00 C ATOM 626 O GLY A 825 -9.419 8.367 -3.699 1.00 0.00 O ATOM 0 H GLY A 825 -7.063 9.006 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -7.905 10.209 -5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -6.815 8.838 -5.506 1.00 0.00 H new ATOM 630 N THR A 826 -9.028 7.587 -5.774 1.00 0.00 N ATOM 631 CA THR A 826 -10.136 6.640 -5.745 1.00 0.00 C ATOM 632 C THR A 826 -9.673 5.266 -5.274 1.00 0.00 C ATOM 633 O THR A 826 -8.858 4.616 -5.929 1.00 0.00 O ATOM 634 CB THR A 826 -10.792 6.500 -7.131 1.00 0.00 C ATOM 635 OG1 THR A 826 -11.227 7.782 -7.598 1.00 0.00 O ATOM 636 CG2 THR A 826 -11.976 5.547 -7.076 1.00 0.00 C ATOM 0 H THR A 826 -8.493 7.583 -6.642 1.00 0.00 H new ATOM 0 HA THR A 826 -10.870 7.034 -5.042 1.00 0.00 H new ATOM 0 HB THR A 826 -10.051 6.094 -7.820 1.00 0.00 H new ATOM 0 HG1 THR A 826 -11.642 7.685 -8.481 1.00 0.00 H new ATOM 0 HG21 THR A 826 -12.423 5.464 -8.067 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.637 4.564 -6.748 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.718 5.928 -6.374 1.00 0.00 H new ATOM 644 N VAL A 827 -10.198 4.828 -4.134 1.00 0.00 N ATOM 645 CA VAL A 827 -9.839 3.530 -3.576 1.00 0.00 C ATOM 646 C VAL A 827 -10.628 2.409 -4.243 1.00 0.00 C ATOM 647 O VAL A 827 -11.855 2.363 -4.161 1.00 0.00 O ATOM 648 CB VAL A 827 -10.088 3.484 -2.056 1.00 0.00 C ATOM 649 CG1 VAL A 827 -9.702 2.125 -1.493 1.00 0.00 C ATOM 650 CG2 VAL A 827 -9.321 4.597 -1.358 1.00 0.00 C ATOM 0 H VAL A 827 -10.873 5.353 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.776 3.386 -3.767 1.00 0.00 H new ATOM 0 HB VAL A 827 -11.152 3.637 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -9.885 2.111 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -10.299 1.350 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -8.645 1.939 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -9.508 4.550 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -8.254 4.477 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -9.651 5.562 -1.742 1.00 0.00 H new ATOM 660 N LYS A 828 -9.914 1.503 -4.904 1.00 0.00 N ATOM 661 CA LYS A 828 -10.545 0.379 -5.585 1.00 0.00 C ATOM 662 C LYS A 828 -10.700 -0.810 -4.642 1.00 0.00 C ATOM 663 O LYS A 828 -11.725 -1.492 -4.651 1.00 0.00 O ATOM 664 CB LYS A 828 -9.722 -0.030 -6.808 1.00 0.00 C ATOM 665 CG LYS A 828 -9.509 1.099 -7.802 1.00 0.00 C ATOM 666 CD LYS A 828 -10.778 1.407 -8.577 1.00 0.00 C ATOM 667 CE LYS A 828 -11.596 2.495 -7.898 1.00 0.00 C ATOM 668 NZ LYS A 828 -13.055 2.326 -8.141 1.00 0.00 N ATOM 0 H LYS A 828 -8.897 1.526 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.536 0.694 -5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -8.751 -0.399 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -10.222 -0.857 -7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -9.179 1.993 -7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -8.714 0.828 -8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -10.521 1.722 -9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -11.379 0.502 -8.668 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -11.402 2.479 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -11.278 3.471 -8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -13.577 3.087 -7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -13.244 2.367 -9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -13.365 1.406 -7.768 1.00 0.00 H new ATOM 682 N ASP A 829 -9.677 -1.053 -3.830 1.00 0.00 N ATOM 683 CA ASP A 829 -9.701 -2.159 -2.880 1.00 0.00 C ATOM 684 C ASP A 829 -8.675 -1.944 -1.771 1.00 0.00 C ATOM 685 O ASP A 829 -7.601 -1.387 -2.003 1.00 0.00 O ATOM 686 CB ASP A 829 -9.425 -3.481 -3.597 1.00 0.00 C ATOM 687 CG ASP A 829 -10.016 -4.670 -2.865 1.00 0.00 C ATOM 688 OD1 ASP A 829 -11.052 -4.496 -2.188 1.00 0.00 O ATOM 689 OD2 ASP A 829 -9.445 -5.775 -2.970 1.00 0.00 O ATOM 0 H ASP A 829 -8.821 -0.499 -3.811 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.693 -2.199 -2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -9.837 -3.437 -4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -8.348 -3.619 -3.698 1.00 0.00 H new ATOM 694 N LEU A 830 -9.014 -2.388 -0.565 1.00 0.00 N ATOM 695 CA LEU A 830 -8.123 -2.243 0.581 1.00 0.00 C ATOM 696 C LEU A 830 -8.070 -3.533 1.395 1.00 0.00 C ATOM 697 O LEU A 830 -9.101 -4.052 1.822 1.00 0.00 O ATOM 698 CB LEU A 830 -8.585 -1.086 1.468 1.00 0.00 C ATOM 699 CG LEU A 830 -7.489 -0.361 2.250 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.976 1.004 2.711 1.00 0.00 C ATOM 701 CD2 LEU A 830 -7.040 -1.198 3.439 1.00 0.00 C ATOM 0 H LEU A 830 -9.899 -2.851 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 830 -7.122 -2.029 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -9.099 -0.357 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -9.318 -1.469 2.178 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.634 -0.215 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -7.183 1.505 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -8.248 1.605 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.847 0.881 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -6.260 -0.667 3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -7.888 -1.375 4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.650 -2.152 3.085 1.00 0.00 H new ATOM 713 N ARG A 831 -6.861 -4.043 1.606 1.00 0.00 N ATOM 714 CA ARG A 831 -6.673 -5.271 2.369 1.00 0.00 C ATOM 715 C ARG A 831 -5.758 -5.032 3.567 1.00 0.00 C ATOM 716 O ARG A 831 -4.871 -4.177 3.524 1.00 0.00 O ATOM 717 CB ARG A 831 -6.087 -6.366 1.477 1.00 0.00 C ATOM 718 CG ARG A 831 -5.498 -7.533 2.252 1.00 0.00 C ATOM 719 CD ARG A 831 -4.023 -7.315 2.553 1.00 0.00 C ATOM 720 NE ARG A 831 -3.423 -8.468 3.219 1.00 0.00 N ATOM 721 CZ ARG A 831 -3.058 -9.576 2.584 1.00 0.00 C ATOM 722 NH1 ARG A 831 -3.230 -9.679 1.273 1.00 0.00 N ATOM 723 NH2 ARG A 831 -2.519 -10.582 3.259 1.00 0.00 N ATOM 0 H ARG A 831 -5.997 -3.625 1.259 1.00 0.00 H new ATOM 0 HA ARG A 831 -7.647 -5.594 2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -6.867 -6.739 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -5.312 -5.932 0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -6.045 -7.664 3.185 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -5.621 -8.451 1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -3.489 -7.115 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -3.908 -6.433 3.183 1.00 0.00 H new ATOM 0 HE ARG A 831 -3.276 -8.420 4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -3.643 -8.906 0.751 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -2.949 -10.531 0.787 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -2.384 -10.506 4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -2.239 -11.432 2.770 1.00 0.00 H new ATOM 737 N LEU A 832 -5.979 -5.791 4.634 1.00 0.00 N ATOM 738 CA LEU A 832 -5.174 -5.662 5.844 1.00 0.00 C ATOM 739 C LEU A 832 -4.339 -6.916 6.079 1.00 0.00 C ATOM 740 O LEU A 832 -4.841 -8.036 5.983 1.00 0.00 O ATOM 741 CB LEU A 832 -6.075 -5.401 7.053 1.00 0.00 C ATOM 742 CG LEU A 832 -6.835 -4.075 7.050 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.937 -4.089 8.098 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.882 -2.913 7.292 1.00 0.00 C ATOM 0 H LEU A 832 -6.708 -6.502 4.686 1.00 0.00 H new ATOM 0 HA LEU A 832 -4.498 -4.817 5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -6.800 -6.212 7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -5.462 -5.443 7.953 1.00 0.00 H new ATOM 0 HG LEU A 832 -7.295 -3.944 6.070 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -8.467 -3.137 8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -8.635 -4.897 7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -7.499 -4.243 9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -6.441 -1.977 7.286 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -5.393 -3.038 8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -5.129 -2.890 6.505 1.00 0.00 H new ATOM 756 N VAL A 833 -3.061 -6.721 6.390 1.00 0.00 N ATOM 757 CA VAL A 833 -2.156 -7.836 6.642 1.00 0.00 C ATOM 758 C VAL A 833 -2.158 -8.222 8.117 1.00 0.00 C ATOM 759 O VAL A 833 -1.575 -7.530 8.952 1.00 0.00 O ATOM 760 CB VAL A 833 -0.716 -7.498 6.213 1.00 0.00 C ATOM 761 CG1 VAL A 833 0.240 -8.603 6.635 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.649 -7.269 4.710 1.00 0.00 C ATOM 0 H VAL A 833 -2.629 -5.801 6.473 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.516 -8.677 6.049 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.412 -6.578 6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 833 1.253 -8.347 6.323 1.00 0.00 H new ATOM 0 HG12 VAL A 833 0.211 -8.715 7.719 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -0.058 -9.541 6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.375 -7.031 4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -0.971 -8.171 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -1.303 -6.440 4.439 1.00 0.00 H new ATOM 772 N THR A 834 -2.817 -9.332 8.432 1.00 0.00 N ATOM 773 CA THR A 834 -2.896 -9.811 9.806 1.00 0.00 C ATOM 774 C THR A 834 -2.160 -11.136 9.970 1.00 0.00 C ATOM 775 O THR A 834 -1.537 -11.631 9.031 1.00 0.00 O ATOM 776 CB THR A 834 -4.358 -9.990 10.256 1.00 0.00 C ATOM 777 OG1 THR A 834 -5.100 -10.682 9.246 1.00 0.00 O ATOM 778 CG2 THR A 834 -5.007 -8.643 10.536 1.00 0.00 C ATOM 0 H THR A 834 -3.304 -9.917 7.753 1.00 0.00 H new ATOM 0 HA THR A 834 -2.421 -9.055 10.431 1.00 0.00 H new ATOM 0 HB THR A 834 -4.363 -10.576 11.175 1.00 0.00 H new ATOM 0 HG1 THR A 834 -6.028 -10.793 9.540 1.00 0.00 H new ATOM 0 HG21 THR A 834 -6.039 -8.795 10.852 1.00 0.00 H new ATOM 0 HG22 THR A 834 -4.457 -8.131 11.326 1.00 0.00 H new ATOM 0 HG23 THR A 834 -4.991 -8.036 9.631 1.00 0.00 H new ATOM 786 N ASN A 835 -2.237 -11.706 11.168 1.00 0.00 N ATOM 787 CA ASN A 835 -1.577 -12.975 11.454 1.00 0.00 C ATOM 788 C ASN A 835 -2.586 -14.119 11.480 1.00 0.00 C ATOM 789 O ASN A 835 -3.782 -13.910 11.273 1.00 0.00 O ATOM 790 CB ASN A 835 -0.840 -12.900 12.792 1.00 0.00 C ATOM 791 CG ASN A 835 0.280 -13.918 12.894 1.00 0.00 C ATOM 792 OD1 ASN A 835 0.887 -14.291 11.889 1.00 0.00 O ATOM 793 ND2 ASN A 835 0.560 -14.371 14.110 1.00 0.00 N ATOM 0 H ASN A 835 -2.749 -11.310 11.956 1.00 0.00 H new ATOM 0 HA ASN A 835 -0.856 -13.168 10.660 1.00 0.00 H new ATOM 0 HB2 ASN A 835 -0.430 -11.899 12.922 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -1.549 -13.062 13.604 1.00 0.00 H new ATOM 0 HD21 ASN A 835 1.304 -15.056 14.240 1.00 0.00 H new ATOM 0 HD22 ASN A 835 0.031 -14.034 14.914 1.00 0.00 H new ATOM 800 N ARG A 836 -2.096 -15.327 11.737 1.00 0.00 N ATOM 801 CA ARG A 836 -2.955 -16.504 11.790 1.00 0.00 C ATOM 802 C ARG A 836 -4.178 -16.247 12.667 1.00 0.00 C ATOM 803 O ARG A 836 -5.277 -16.710 12.366 1.00 0.00 O ATOM 804 CB ARG A 836 -2.175 -17.707 12.326 1.00 0.00 C ATOM 805 CG ARG A 836 -3.018 -18.964 12.469 1.00 0.00 C ATOM 806 CD ARG A 836 -3.166 -19.689 11.141 1.00 0.00 C ATOM 807 NE ARG A 836 -3.489 -21.102 11.322 1.00 0.00 N ATOM 808 CZ ARG A 836 -4.659 -21.536 11.777 1.00 0.00 C ATOM 809 NH1 ARG A 836 -5.613 -20.672 12.095 1.00 0.00 N ATOM 810 NH2 ARG A 836 -4.877 -22.838 11.914 1.00 0.00 N ATOM 0 H ARG A 836 -1.109 -15.517 11.912 1.00 0.00 H new ATOM 0 HA ARG A 836 -3.294 -16.720 10.777 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -1.339 -17.914 11.658 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -1.751 -17.451 13.297 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -2.559 -19.630 13.199 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -4.004 -18.701 12.853 1.00 0.00 H new ATOM 0 HD2 ARG A 836 -3.949 -19.211 10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -2.240 -19.599 10.573 1.00 0.00 H new ATOM 0 HE ARG A 836 -2.777 -21.793 11.086 1.00 0.00 H new ATOM 0 HH11 ARG A 836 -5.450 -19.671 11.991 1.00 0.00 H new ATOM 0 HH12 ARG A 836 -6.510 -21.009 12.444 1.00 0.00 H new ATOM 0 HH21 ARG A 836 -4.146 -23.506 11.670 1.00 0.00 H new ATOM 0 HH22 ARG A 836 -5.776 -23.171 12.263 1.00 0.00 H new ATOM 824 N ALA A 837 -3.976 -15.505 13.751 1.00 0.00 N ATOM 825 CA ALA A 837 -5.062 -15.184 14.669 1.00 0.00 C ATOM 826 C ALA A 837 -5.646 -13.807 14.370 1.00 0.00 C ATOM 827 O ALA A 837 -6.027 -13.073 15.280 1.00 0.00 O ATOM 828 CB ALA A 837 -4.572 -15.250 16.108 1.00 0.00 C ATOM 0 H ALA A 837 -3.071 -15.115 14.015 1.00 0.00 H new ATOM 0 HA ALA A 837 -5.852 -15.922 14.530 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -5.393 -15.008 16.783 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -4.209 -16.255 16.323 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -3.762 -14.534 16.250 1.00 0.00 H new ATOM 834 N GLY A 838 -5.712 -13.464 13.087 1.00 0.00 N ATOM 835 CA GLY A 838 -6.250 -12.176 12.691 1.00 0.00 C ATOM 836 C GLY A 838 -5.671 -11.032 13.499 1.00 0.00 C ATOM 837 O GLY A 838 -6.291 -9.976 13.629 1.00 0.00 O ATOM 0 H GLY A 838 -5.403 -14.055 12.315 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -6.045 -12.010 11.633 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -7.334 -12.187 12.808 1.00 0.00 H new ATOM 841 N LYS A 839 -4.478 -11.241 14.047 1.00 0.00 N ATOM 842 CA LYS A 839 -3.814 -10.220 14.848 1.00 0.00 C ATOM 843 C LYS A 839 -3.169 -9.164 13.956 1.00 0.00 C ATOM 844 O LYS A 839 -2.646 -9.459 12.882 1.00 0.00 O ATOM 845 CB LYS A 839 -2.754 -10.859 15.748 1.00 0.00 C ATOM 846 CG LYS A 839 -3.336 -11.636 16.916 1.00 0.00 C ATOM 847 CD LYS A 839 -3.874 -10.707 17.992 1.00 0.00 C ATOM 848 CE LYS A 839 -4.348 -11.482 19.212 1.00 0.00 C ATOM 849 NZ LYS A 839 -5.419 -10.755 19.949 1.00 0.00 N ATOM 0 H LYS A 839 -3.951 -12.109 13.951 1.00 0.00 H new ATOM 0 HA LYS A 839 -4.566 -9.735 15.470 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -2.136 -11.528 15.149 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -2.098 -10.078 16.133 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -4.137 -12.284 16.560 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -2.569 -12.282 17.342 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -3.097 -10.002 18.287 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -4.700 -10.121 17.589 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -4.720 -12.458 18.900 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -3.505 -11.660 19.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -5.715 -11.316 20.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -5.057 -9.834 20.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -6.234 -10.607 19.320 1.00 0.00 H new ATOM 863 N PRO A 840 -3.204 -7.903 14.412 1.00 0.00 N ATOM 864 CA PRO A 840 -2.626 -6.777 13.671 1.00 0.00 C ATOM 865 C PRO A 840 -1.102 -6.827 13.639 1.00 0.00 C ATOM 866 O PRO A 840 -0.449 -6.830 14.682 1.00 0.00 O ATOM 867 CB PRO A 840 -3.105 -5.553 14.455 1.00 0.00 C ATOM 868 CG PRO A 840 -3.343 -6.057 15.837 1.00 0.00 C ATOM 869 CD PRO A 840 -3.812 -7.478 15.684 1.00 0.00 C ATOM 0 HA PRO A 840 -2.933 -6.776 12.625 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -2.357 -4.760 14.446 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.015 -5.138 14.023 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -2.431 -6.009 16.432 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -4.091 -5.452 16.350 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -3.482 -8.102 16.515 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -4.900 -7.541 15.650 1.00 0.00 H new ATOM 877 N LYS A 841 -0.541 -6.865 12.435 1.00 0.00 N ATOM 878 CA LYS A 841 0.906 -6.912 12.266 1.00 0.00 C ATOM 879 C LYS A 841 1.445 -5.559 11.811 1.00 0.00 C ATOM 880 O LYS A 841 2.612 -5.438 11.439 1.00 0.00 O ATOM 881 CB LYS A 841 1.287 -7.992 11.251 1.00 0.00 C ATOM 882 CG LYS A 841 1.292 -9.396 11.831 1.00 0.00 C ATOM 883 CD LYS A 841 1.295 -10.451 10.737 1.00 0.00 C ATOM 884 CE LYS A 841 2.667 -10.585 10.096 1.00 0.00 C ATOM 885 NZ LYS A 841 3.613 -11.341 10.963 1.00 0.00 N ATOM 0 H LYS A 841 -1.067 -6.864 11.561 1.00 0.00 H new ATOM 0 HA LYS A 841 1.352 -7.155 13.231 1.00 0.00 H new ATOM 0 HB2 LYS A 841 0.589 -7.956 10.415 1.00 0.00 H new ATOM 0 HB3 LYS A 841 2.276 -7.770 10.850 1.00 0.00 H new ATOM 0 HG2 LYS A 841 2.169 -9.526 12.465 1.00 0.00 H new ATOM 0 HG3 LYS A 841 0.417 -9.531 12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 841 0.992 -11.411 11.155 1.00 0.00 H new ATOM 0 HD3 LYS A 841 0.560 -10.189 9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.571 -11.091 9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 841 3.072 -9.593 9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 4.504 -11.499 10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 3.803 -10.795 11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 3.193 -12.258 11.218 1.00 0.00 H new ATOM 899 N GLY A 842 0.587 -4.544 11.843 1.00 0.00 N ATOM 900 CA GLY A 842 0.997 -3.213 11.433 1.00 0.00 C ATOM 901 C GLY A 842 1.244 -3.118 9.940 1.00 0.00 C ATOM 902 O GLY A 842 2.014 -2.272 9.484 1.00 0.00 O ATOM 0 H GLY A 842 -0.384 -4.619 12.145 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.228 -2.495 11.718 1.00 0.00 H new ATOM 0 HA3 GLY A 842 1.906 -2.935 11.967 1.00 0.00 H new ATOM 906 N LEU A 843 0.593 -3.988 9.177 1.00 0.00 N ATOM 907 CA LEU A 843 0.747 -4.000 7.727 1.00 0.00 C ATOM 908 C LEU A 843 -0.612 -3.962 7.034 1.00 0.00 C ATOM 909 O LEU A 843 -1.580 -4.551 7.513 1.00 0.00 O ATOM 910 CB LEU A 843 1.522 -5.243 7.287 1.00 0.00 C ATOM 911 CG LEU A 843 3.039 -5.189 7.472 1.00 0.00 C ATOM 912 CD1 LEU A 843 3.642 -6.579 7.343 1.00 0.00 C ATOM 913 CD2 LEU A 843 3.666 -4.238 6.462 1.00 0.00 C ATOM 0 H LEU A 843 -0.047 -4.695 9.539 1.00 0.00 H new ATOM 0 HA LEU A 843 1.306 -3.110 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.139 -6.100 7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 843 1.311 -5.424 6.233 1.00 0.00 H new ATOM 0 HG LEU A 843 3.251 -4.815 8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 843 4.722 -6.521 7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 843 3.216 -7.232 8.104 1.00 0.00 H new ATOM 0 HD13 LEU A 843 3.421 -6.981 6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 843 4.746 -4.212 6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 843 3.445 -4.583 5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 843 3.257 -3.237 6.602 1.00 0.00 H new ATOM 925 N ALA A 844 -0.674 -3.267 5.903 1.00 0.00 N ATOM 926 CA ALA A 844 -1.913 -3.156 5.142 1.00 0.00 C ATOM 927 C ALA A 844 -1.632 -2.806 3.685 1.00 0.00 C ATOM 928 O ALA A 844 -0.733 -2.019 3.387 1.00 0.00 O ATOM 929 CB ALA A 844 -2.826 -2.114 5.771 1.00 0.00 C ATOM 0 H ALA A 844 0.119 -2.773 5.493 1.00 0.00 H new ATOM 0 HA ALA A 844 -2.414 -4.124 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -3.747 -2.041 5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -3.062 -2.407 6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -2.324 -1.146 5.777 1.00 0.00 H new ATOM 935 N TYR A 845 -2.406 -3.395 2.780 1.00 0.00 N ATOM 936 CA TYR A 845 -2.239 -3.148 1.353 1.00 0.00 C ATOM 937 C TYR A 845 -3.378 -2.291 0.811 1.00 0.00 C ATOM 938 O TYR A 845 -4.522 -2.407 1.252 1.00 0.00 O ATOM 939 CB TYR A 845 -2.173 -4.471 0.589 1.00 0.00 C ATOM 940 CG TYR A 845 -0.785 -5.069 0.533 1.00 0.00 C ATOM 941 CD1 TYR A 845 -0.122 -5.446 1.694 1.00 0.00 C ATOM 942 CD2 TYR A 845 -0.138 -5.259 -0.682 1.00 0.00 C ATOM 943 CE1 TYR A 845 1.146 -5.992 1.647 1.00 0.00 C ATOM 944 CE2 TYR A 845 1.129 -5.806 -0.739 1.00 0.00 C ATOM 945 CZ TYR A 845 1.767 -6.170 0.429 1.00 0.00 C ATOM 946 OH TYR A 845 3.030 -6.715 0.377 1.00 0.00 O ATOM 0 H TYR A 845 -3.156 -4.047 3.010 1.00 0.00 H new ATOM 0 HA TYR A 845 -1.303 -2.607 1.211 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -2.849 -5.186 1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -2.532 -4.312 -0.428 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -0.606 -5.310 2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 845 -0.635 -4.974 -1.598 1.00 0.00 H new ATOM 0 HE1 TYR A 845 1.648 -6.278 2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 845 1.617 -5.948 -1.692 1.00 0.00 H new ATOM 0 HH TYR A 845 3.323 -6.773 -0.556 1.00 0.00 H new ATOM 956 N VAL A 846 -3.058 -1.429 -0.149 1.00 0.00 N ATOM 957 CA VAL A 846 -4.053 -0.553 -0.754 1.00 0.00 C ATOM 958 C VAL A 846 -4.086 -0.721 -2.269 1.00 0.00 C ATOM 959 O VAL A 846 -3.073 -1.043 -2.889 1.00 0.00 O ATOM 960 CB VAL A 846 -3.778 0.925 -0.418 1.00 0.00 C ATOM 961 CG1 VAL A 846 -4.814 1.824 -1.077 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.760 1.135 1.088 1.00 0.00 C ATOM 0 H VAL A 846 -2.116 -1.319 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 846 -5.020 -0.839 -0.339 1.00 0.00 H new ATOM 0 HB VAL A 846 -2.797 1.192 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.604 2.864 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -4.773 1.694 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -5.808 1.559 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.564 2.185 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.726 0.851 1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -2.977 0.520 1.532 1.00 0.00 H new ATOM 972 N GLU A 847 -5.257 -0.501 -2.858 1.00 0.00 N ATOM 973 CA GLU A 847 -5.421 -0.629 -4.301 1.00 0.00 C ATOM 974 C GLU A 847 -6.122 0.597 -4.880 1.00 0.00 C ATOM 975 O GLU A 847 -7.288 0.857 -4.583 1.00 0.00 O ATOM 976 CB GLU A 847 -6.218 -1.891 -4.636 1.00 0.00 C ATOM 977 CG GLU A 847 -5.879 -2.483 -5.994 1.00 0.00 C ATOM 978 CD GLU A 847 -6.873 -3.540 -6.434 1.00 0.00 C ATOM 979 OE1 GLU A 847 -8.061 -3.201 -6.613 1.00 0.00 O ATOM 980 OE2 GLU A 847 -6.461 -4.708 -6.600 1.00 0.00 O ATOM 0 H GLU A 847 -6.105 -0.234 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.430 -0.704 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -6.035 -2.641 -3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -7.282 -1.657 -4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -5.850 -1.686 -6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -4.881 -2.921 -5.957 1.00 0.00 H new ATOM 987 N TYR A 848 -5.402 1.347 -5.708 1.00 0.00 N ATOM 988 CA TYR A 848 -5.952 2.547 -6.326 1.00 0.00 C ATOM 989 C TYR A 848 -6.437 2.256 -7.743 1.00 0.00 C ATOM 990 O TYR A 848 -6.292 1.141 -8.243 1.00 0.00 O ATOM 991 CB TYR A 848 -4.903 3.659 -6.352 1.00 0.00 C ATOM 992 CG TYR A 848 -4.911 4.528 -5.114 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.352 4.079 -3.924 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.476 5.796 -5.135 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.357 4.868 -2.790 1.00 0.00 C ATOM 996 CE2 TYR A 848 -5.484 6.593 -4.006 1.00 0.00 C ATOM 997 CZ TYR A 848 -4.924 6.125 -2.836 1.00 0.00 C ATOM 998 OH TYR A 848 -4.931 6.915 -1.710 1.00 0.00 O ATOM 0 H TYR A 848 -4.436 1.144 -5.966 1.00 0.00 H new ATOM 0 HA TYR A 848 -6.804 2.875 -5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -3.915 3.213 -6.466 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.072 4.286 -7.227 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -3.906 3.096 -3.885 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -5.917 6.166 -6.049 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -3.920 4.503 -1.873 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -5.927 7.578 -4.040 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.821 7.308 -1.592 1.00 0.00 H new ATOM 1008 N GLU A 849 -7.013 3.268 -8.384 1.00 0.00 N ATOM 1009 CA GLU A 849 -7.519 3.122 -9.744 1.00 0.00 C ATOM 1010 C GLU A 849 -6.462 3.531 -10.765 1.00 0.00 C ATOM 1011 O GLU A 849 -6.271 2.862 -11.779 1.00 0.00 O ATOM 1012 CB GLU A 849 -8.782 3.964 -9.935 1.00 0.00 C ATOM 1013 CG GLU A 849 -9.372 3.867 -11.332 1.00 0.00 C ATOM 1014 CD GLU A 849 -9.566 2.433 -11.785 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -8.552 1.749 -12.036 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -10.731 1.995 -11.888 1.00 0.00 O ATOM 0 H GLU A 849 -7.141 4.197 -7.984 1.00 0.00 H new ATOM 0 HA GLU A 849 -7.764 2.072 -9.902 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.532 3.648 -9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.549 5.007 -9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -10.331 4.384 -11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -8.717 4.381 -12.036 1.00 0.00 H new ATOM 1023 N ASN A 850 -5.778 4.637 -10.489 1.00 0.00 N ATOM 1024 CA ASN A 850 -4.740 5.137 -11.384 1.00 0.00 C ATOM 1025 C ASN A 850 -3.394 5.210 -10.669 1.00 0.00 C ATOM 1026 O ASN A 850 -3.333 5.224 -9.440 1.00 0.00 O ATOM 1027 CB ASN A 850 -5.122 6.519 -11.919 1.00 0.00 C ATOM 1028 CG ASN A 850 -6.131 6.444 -13.048 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -6.026 5.594 -13.933 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -7.115 7.335 -13.023 1.00 0.00 N ATOM 0 H ASN A 850 -5.924 5.204 -9.653 1.00 0.00 H new ATOM 0 HA ASN A 850 -4.650 4.443 -12.220 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -5.533 7.119 -11.107 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -4.226 7.030 -12.270 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -7.823 7.333 -13.757 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -7.163 8.021 -12.270 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.318 5.258 -11.449 1.00 0.00 N ATOM 1038 CA GLU A 851 -0.973 5.329 -10.890 1.00 0.00 C ATOM 1039 C GLU A 851 -0.758 6.651 -10.157 1.00 0.00 C ATOM 1040 O GLU A 851 -0.484 6.670 -8.958 1.00 0.00 O ATOM 1041 CB GLU A 851 0.072 5.170 -11.996 1.00 0.00 C ATOM 1042 CG GLU A 851 1.500 5.370 -11.517 1.00 0.00 C ATOM 1043 CD GLU A 851 2.523 4.807 -12.484 1.00 0.00 C ATOM 1044 OE1 GLU A 851 2.346 4.988 -13.707 1.00 0.00 O ATOM 1045 OE2 GLU A 851 3.501 4.186 -12.018 1.00 0.00 O ATOM 0 H GLU A 851 -2.352 5.249 -12.468 1.00 0.00 H new ATOM 0 HA GLU A 851 -0.861 4.514 -10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 851 -0.020 4.175 -12.431 1.00 0.00 H new ATOM 0 HB3 GLU A 851 -0.140 5.886 -12.790 1.00 0.00 H new ATOM 0 HG2 GLU A 851 1.686 6.435 -11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 851 1.623 4.893 -10.545 1.00 0.00 H new ATOM 1052 N SER A 852 -0.883 7.753 -10.889 1.00 0.00 N ATOM 1053 CA SER A 852 -0.698 9.079 -10.312 1.00 0.00 C ATOM 1054 C SER A 852 -1.279 9.144 -8.902 1.00 0.00 C ATOM 1055 O SER A 852 -0.613 9.583 -7.966 1.00 0.00 O ATOM 1056 CB SER A 852 -1.357 10.140 -11.196 1.00 0.00 C ATOM 1057 OG SER A 852 -0.716 10.223 -12.457 1.00 0.00 O ATOM 0 H SER A 852 -1.112 7.754 -11.883 1.00 0.00 H new ATOM 0 HA SER A 852 0.372 9.277 -10.255 1.00 0.00 H new ATOM 0 HB2 SER A 852 -2.411 9.898 -11.335 1.00 0.00 H new ATOM 0 HB3 SER A 852 -1.315 11.109 -10.699 1.00 0.00 H new ATOM 0 HG SER A 852 -1.157 10.907 -13.004 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.524 8.702 -8.761 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.195 8.710 -7.467 1.00 0.00 C ATOM 1065 C GLN A 853 -2.359 7.988 -6.416 1.00 0.00 C ATOM 1066 O GLN A 853 -2.076 8.536 -5.350 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.572 8.054 -7.578 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.574 8.874 -8.375 1.00 0.00 C ATOM 1069 CD GLN A 853 -6.796 8.072 -8.778 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -7.030 6.976 -8.267 1.00 0.00 O ATOM 1071 NE2 GLN A 853 -7.584 8.615 -9.698 1.00 0.00 N ATOM 0 H GLN A 853 -3.088 8.334 -9.527 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.319 9.748 -7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.462 7.075 -8.045 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -4.967 7.886 -6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -5.887 9.733 -7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.089 9.264 -9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -7.352 9.526 -10.095 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -8.421 8.122 -10.008 1.00 0.00 H new ATOM 1080 N ALA A 854 -1.965 6.757 -6.723 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.160 5.961 -5.805 1.00 0.00 C ATOM 1082 C ALA A 854 0.054 6.745 -5.318 1.00 0.00 C ATOM 1083 O ALA A 854 0.211 6.983 -4.120 1.00 0.00 O ATOM 1084 CB ALA A 854 -0.720 4.667 -6.475 1.00 0.00 C ATOM 0 H ALA A 854 -2.190 6.289 -7.601 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.775 5.718 -4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.120 4.082 -5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -1.598 4.092 -6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.126 4.899 -7.359 1.00 0.00 H new ATOM 1090 N SER A 855 0.909 7.144 -6.253 1.00 0.00 N ATOM 1091 CA SER A 855 2.111 7.898 -5.918 1.00 0.00 C ATOM 1092 C SER A 855 1.799 8.997 -4.906 1.00 0.00 C ATOM 1093 O SER A 855 2.326 8.997 -3.794 1.00 0.00 O ATOM 1094 CB SER A 855 2.723 8.511 -7.180 1.00 0.00 C ATOM 1095 OG SER A 855 4.058 8.927 -6.949 1.00 0.00 O ATOM 0 H SER A 855 0.792 6.958 -7.249 1.00 0.00 H new ATOM 0 HA SER A 855 2.829 7.210 -5.472 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.701 7.782 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 855 2.124 9.363 -7.502 1.00 0.00 H new ATOM 0 HG SER A 855 4.427 9.313 -7.771 1.00 0.00 H new ATOM 1101 N GLN A 856 0.939 9.930 -5.301 1.00 0.00 N ATOM 1102 CA GLN A 856 0.557 11.034 -4.429 1.00 0.00 C ATOM 1103 C GLN A 856 0.344 10.550 -2.999 1.00 0.00 C ATOM 1104 O GLN A 856 0.916 11.096 -2.056 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.716 11.705 -4.949 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.869 13.149 -4.499 1.00 0.00 C ATOM 1107 CD GLN A 856 -1.891 13.910 -5.320 1.00 0.00 C ATOM 1108 OE1 GLN A 856 -1.687 14.161 -6.508 1.00 0.00 O ATOM 1109 NE2 GLN A 856 -2.999 14.282 -4.690 1.00 0.00 N ATOM 0 H GLN A 856 0.494 9.943 -6.219 1.00 0.00 H new ATOM 0 HA GLN A 856 1.369 11.762 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.716 11.671 -6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.581 11.134 -4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 856 -1.163 13.169 -3.450 1.00 0.00 H new ATOM 0 HG3 GLN A 856 0.096 13.652 -4.569 1.00 0.00 H new ATOM 0 HE21 GLN A 856 -3.127 14.053 -3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 856 -3.723 14.797 -5.192 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.485 9.522 -2.845 1.00 0.00 N ATOM 1119 CA ALA A 857 -0.773 8.963 -1.530 1.00 0.00 C ATOM 1120 C ALA A 857 0.484 8.377 -0.895 1.00 0.00 C ATOM 1121 O ALA A 857 0.632 8.376 0.327 1.00 0.00 O ATOM 1122 CB ALA A 857 -1.858 7.902 -1.634 1.00 0.00 C ATOM 0 H ALA A 857 -0.969 9.060 -3.615 1.00 0.00 H new ATOM 0 HA ALA A 857 -1.129 9.770 -0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -2.063 7.493 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.767 8.349 -2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.523 7.102 -2.295 1.00 0.00 H new ATOM 1128 N VAL A 858 1.387 7.878 -1.734 1.00 0.00 N ATOM 1129 CA VAL A 858 2.632 7.289 -1.255 1.00 0.00 C ATOM 1130 C VAL A 858 3.574 8.359 -0.715 1.00 0.00 C ATOM 1131 O VAL A 858 4.154 8.205 0.359 1.00 0.00 O ATOM 1132 CB VAL A 858 3.348 6.505 -2.371 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.685 5.975 -1.877 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.468 5.371 -2.874 1.00 0.00 C ATOM 0 H VAL A 858 1.279 7.870 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 858 2.368 6.602 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 858 3.538 7.183 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 858 5.177 5.424 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.316 6.809 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.522 5.312 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 858 2.990 4.828 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 858 2.245 4.691 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.538 5.780 -3.269 1.00 0.00 H new ATOM 1144 N MET A 859 3.722 9.444 -1.468 1.00 0.00 N ATOM 1145 CA MET A 859 4.593 10.542 -1.063 1.00 0.00 C ATOM 1146 C MET A 859 4.075 11.207 0.208 1.00 0.00 C ATOM 1147 O MET A 859 4.817 11.384 1.175 1.00 0.00 O ATOM 1148 CB MET A 859 4.701 11.576 -2.186 1.00 0.00 C ATOM 1149 CG MET A 859 5.823 11.289 -3.170 1.00 0.00 C ATOM 1150 SD MET A 859 6.196 12.700 -4.229 1.00 0.00 S ATOM 1151 CE MET A 859 7.715 13.289 -3.484 1.00 0.00 C ATOM 0 H MET A 859 3.251 9.587 -2.361 1.00 0.00 H new ATOM 0 HA MET A 859 5.582 10.132 -0.860 1.00 0.00 H new ATOM 0 HB2 MET A 859 3.755 11.613 -2.727 1.00 0.00 H new ATOM 0 HB3 MET A 859 4.857 12.562 -1.748 1.00 0.00 H new ATOM 0 HG2 MET A 859 6.720 11.006 -2.620 1.00 0.00 H new ATOM 0 HG3 MET A 859 5.547 10.437 -3.791 1.00 0.00 H new ATOM 0 HE1 MET A 859 8.073 14.162 -4.029 1.00 0.00 H new ATOM 0 HE2 MET A 859 7.529 13.561 -2.445 1.00 0.00 H new ATOM 0 HE3 MET A 859 8.469 12.503 -3.524 1.00 0.00 H new ATOM 1161 N LYS A 860 2.798 11.573 0.201 1.00 0.00 N ATOM 1162 CA LYS A 860 2.180 12.218 1.354 1.00 0.00 C ATOM 1163 C LYS A 860 2.282 11.333 2.592 1.00 0.00 C ATOM 1164 O LYS A 860 2.884 11.718 3.594 1.00 0.00 O ATOM 1165 CB LYS A 860 0.712 12.535 1.060 1.00 0.00 C ATOM 1166 CG LYS A 860 0.520 13.722 0.133 1.00 0.00 C ATOM 1167 CD LYS A 860 0.522 15.035 0.898 1.00 0.00 C ATOM 1168 CE LYS A 860 -0.856 15.357 1.456 1.00 0.00 C ATOM 1169 NZ LYS A 860 -1.733 15.993 0.433 1.00 0.00 N ATOM 0 H LYS A 860 2.170 11.434 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 860 2.714 13.148 1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.242 11.658 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.196 12.732 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.314 13.734 -0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.422 13.615 -0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 860 1.243 14.981 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 860 0.846 15.841 0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -1.324 14.442 1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -0.755 16.023 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -2.663 16.197 0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -1.298 16.879 0.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -1.851 15.347 -0.373 1.00 0.00 H new ATOM 1183 N MET A 861 1.692 10.145 2.515 1.00 0.00 N ATOM 1184 CA MET A 861 1.719 9.204 3.629 1.00 0.00 C ATOM 1185 C MET A 861 3.155 8.859 4.014 1.00 0.00 C ATOM 1186 O MET A 861 3.501 8.831 5.195 1.00 0.00 O ATOM 1187 CB MET A 861 0.956 7.929 3.267 1.00 0.00 C ATOM 1188 CG MET A 861 -0.516 8.166 2.968 1.00 0.00 C ATOM 1189 SD MET A 861 -1.208 6.924 1.859 1.00 0.00 S ATOM 1190 CE MET A 861 -2.412 6.145 2.932 1.00 0.00 C ATOM 0 H MET A 861 1.189 9.811 1.693 1.00 0.00 H new ATOM 0 HA MET A 861 1.235 9.677 4.483 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.425 7.469 2.398 1.00 0.00 H new ATOM 0 HB3 MET A 861 1.042 7.218 4.089 1.00 0.00 H new ATOM 0 HG2 MET A 861 -1.077 8.166 3.902 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.638 9.153 2.523 1.00 0.00 H new ATOM 0 HE1 MET A 861 -2.771 5.226 2.469 1.00 0.00 H new ATOM 0 HE2 MET A 861 -1.948 5.911 3.890 1.00 0.00 H new ATOM 0 HE3 MET A 861 -3.251 6.823 3.091 1.00 0.00 H new ATOM 1200 N ASP A 862 3.985 8.597 3.010 1.00 0.00 N ATOM 1201 CA ASP A 862 5.383 8.255 3.244 1.00 0.00 C ATOM 1202 C ASP A 862 5.942 9.034 4.431 1.00 0.00 C ATOM 1203 O ASP A 862 6.132 10.247 4.356 1.00 0.00 O ATOM 1204 CB ASP A 862 6.216 8.539 1.994 1.00 0.00 C ATOM 1205 CG ASP A 862 7.676 8.789 2.315 1.00 0.00 C ATOM 1206 OD1 ASP A 862 8.275 7.964 3.037 1.00 0.00 O ATOM 1207 OD2 ASP A 862 8.221 9.809 1.844 1.00 0.00 O ATOM 0 H ASP A 862 3.714 8.615 2.027 1.00 0.00 H new ATOM 0 HA ASP A 862 5.437 7.191 3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 862 6.137 7.695 1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 862 5.807 9.407 1.478 1.00 0.00 H new ATOM 1212 N GLY A 863 6.202 8.327 5.527 1.00 0.00 N ATOM 1213 CA GLY A 863 6.735 8.969 6.714 1.00 0.00 C ATOM 1214 C GLY A 863 5.733 9.897 7.372 1.00 0.00 C ATOM 1215 O GLY A 863 6.045 11.050 7.667 1.00 0.00 O ATOM 0 H GLY A 863 6.053 7.322 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 863 7.042 8.206 7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.628 9.534 6.447 1.00 0.00 H new ATOM 1219 N MET A 864 4.524 9.393 7.600 1.00 0.00 N ATOM 1220 CA MET A 864 3.472 10.185 8.226 1.00 0.00 C ATOM 1221 C MET A 864 3.173 9.677 9.633 1.00 0.00 C ATOM 1222 O MET A 864 3.365 8.498 9.932 1.00 0.00 O ATOM 1223 CB MET A 864 2.200 10.147 7.376 1.00 0.00 C ATOM 1224 CG MET A 864 1.509 8.793 7.378 1.00 0.00 C ATOM 1225 SD MET A 864 -0.132 8.851 6.633 1.00 0.00 S ATOM 1226 CE MET A 864 -0.937 10.060 7.681 1.00 0.00 C ATOM 0 H MET A 864 4.249 8.440 7.361 1.00 0.00 H new ATOM 0 HA MET A 864 3.821 11.215 8.297 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.504 10.901 7.743 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.450 10.417 6.350 1.00 0.00 H new ATOM 0 HG2 MET A 864 2.124 8.074 6.837 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.426 8.433 8.404 1.00 0.00 H new ATOM 0 HE1 MET A 864 -1.986 9.793 7.805 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.450 10.079 8.656 1.00 0.00 H new ATOM 0 HE3 MET A 864 -0.866 11.046 7.221 1.00 0.00 H new ATOM 1236 N THR A 865 2.702 10.573 10.494 1.00 0.00 N ATOM 1237 CA THR A 865 2.378 10.216 11.869 1.00 0.00 C ATOM 1238 C THR A 865 0.930 9.753 11.990 1.00 0.00 C ATOM 1239 O THR A 865 0.021 10.381 11.448 1.00 0.00 O ATOM 1240 CB THR A 865 2.608 11.400 12.827 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.849 12.045 12.519 1.00 0.00 O ATOM 1242 CG2 THR A 865 2.620 10.931 14.274 1.00 0.00 C ATOM 0 H THR A 865 2.536 11.553 10.263 1.00 0.00 H new ATOM 0 HA THR A 865 3.043 9.399 12.148 1.00 0.00 H new ATOM 0 HB THR A 865 1.789 12.108 12.698 1.00 0.00 H new ATOM 0 HG1 THR A 865 3.987 12.798 13.131 1.00 0.00 H new ATOM 0 HG21 THR A 865 2.784 11.785 14.932 1.00 0.00 H new ATOM 0 HG22 THR A 865 1.664 10.466 14.514 1.00 0.00 H new ATOM 0 HG23 THR A 865 3.421 10.205 14.415 1.00 0.00 H new ATOM 1250 N ILE A 866 0.724 8.652 12.705 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.614 8.107 12.898 1.00 0.00 C ATOM 1252 C ILE A 866 -0.789 7.569 14.314 1.00 0.00 C ATOM 1253 O ILE A 866 -0.209 6.546 14.679 1.00 0.00 O ATOM 1254 CB ILE A 866 -0.913 6.979 11.892 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -1.155 7.561 10.498 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.116 6.167 12.350 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -1.016 6.544 9.387 1.00 0.00 C ATOM 0 H ILE A 866 1.466 8.120 13.160 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.315 8.925 12.733 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.049 6.316 11.843 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -2.155 7.992 10.462 1.00 0.00 H new ATOM 0 HG13 ILE A 866 -0.450 8.375 10.325 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.315 5.374 11.629 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -1.908 5.727 13.325 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -2.987 6.818 12.424 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -1.201 7.026 8.427 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.008 6.130 9.397 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -1.739 5.742 9.535 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.595 8.265 15.109 1.00 0.00 N ATOM 1270 CA LYS A 867 -1.851 7.857 16.486 1.00 0.00 C ATOM 1271 C LYS A 867 -0.546 7.709 17.261 1.00 0.00 C ATOM 1272 O LYS A 867 -0.386 6.781 18.053 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.625 6.537 16.513 1.00 0.00 C ATOM 1274 CG LYS A 867 -4.133 6.716 16.498 1.00 0.00 C ATOM 1275 CD LYS A 867 -4.850 5.390 16.305 1.00 0.00 C ATOM 1276 CE LYS A 867 -6.248 5.589 15.739 1.00 0.00 C ATOM 1277 NZ LYS A 867 -7.191 6.119 16.764 1.00 0.00 N ATOM 0 H LYS A 867 -2.082 9.114 14.824 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.450 8.633 16.963 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -2.330 5.935 15.653 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -2.343 5.978 17.405 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -4.455 7.172 17.434 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -4.411 7.401 15.697 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -4.271 4.757 15.633 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -4.914 4.867 17.259 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -6.204 6.278 14.895 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -6.623 4.640 15.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -8.133 6.241 16.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -7.253 5.450 17.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -6.846 7.037 17.111 1.00 0.00 H new ATOM 1291 N GLU A 868 0.383 8.631 17.028 1.00 0.00 N ATOM 1292 CA GLU A 868 1.674 8.602 17.706 1.00 0.00 C ATOM 1293 C GLU A 868 2.536 7.455 17.186 1.00 0.00 C ATOM 1294 O GLU A 868 3.220 6.781 17.955 1.00 0.00 O ATOM 1295 CB GLU A 868 1.478 8.462 19.217 1.00 0.00 C ATOM 1296 CG GLU A 868 2.662 8.956 20.032 1.00 0.00 C ATOM 1297 CD GLU A 868 2.707 10.468 20.139 1.00 0.00 C ATOM 1298 OE1 GLU A 868 2.376 11.144 19.143 1.00 0.00 O ATOM 1299 OE2 GLU A 868 3.073 10.975 21.220 1.00 0.00 O ATOM 0 H GLU A 868 0.266 9.406 16.376 1.00 0.00 H new ATOM 0 HA GLU A 868 2.186 9.542 17.498 1.00 0.00 H new ATOM 0 HB2 GLU A 868 0.587 9.017 19.512 1.00 0.00 H new ATOM 0 HB3 GLU A 868 1.295 7.414 19.456 1.00 0.00 H new ATOM 0 HG2 GLU A 868 2.614 8.526 21.032 1.00 0.00 H new ATOM 0 HG3 GLU A 868 3.586 8.600 19.576 1.00 0.00 H new ATOM 1306 N ASN A 869 2.497 7.241 15.875 1.00 0.00 N ATOM 1307 CA ASN A 869 3.273 6.175 15.251 1.00 0.00 C ATOM 1308 C ASN A 869 3.670 6.553 13.827 1.00 0.00 C ATOM 1309 O ASN A 869 2.819 6.670 12.945 1.00 0.00 O ATOM 1310 CB ASN A 869 2.472 4.872 15.240 1.00 0.00 C ATOM 1311 CG ASN A 869 3.352 3.654 15.035 1.00 0.00 C ATOM 1312 OD1 ASN A 869 4.019 3.522 14.009 1.00 0.00 O ATOM 1313 ND2 ASN A 869 3.357 2.756 16.014 1.00 0.00 N ATOM 0 H ASN A 869 1.937 7.791 15.224 1.00 0.00 H new ATOM 0 HA ASN A 869 4.181 6.030 15.836 1.00 0.00 H new ATOM 0 HB2 ASN A 869 1.932 4.773 16.182 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.725 4.915 14.447 1.00 0.00 H new ATOM 0 HD21 ASN A 869 3.930 1.916 15.933 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.788 2.907 16.847 1.00 0.00 H new ATOM 1320 N ILE A 870 4.967 6.743 13.612 1.00 0.00 N ATOM 1321 CA ILE A 870 5.477 7.106 12.295 1.00 0.00 C ATOM 1322 C ILE A 870 5.403 5.926 11.332 1.00 0.00 C ATOM 1323 O ILE A 870 6.189 4.983 11.429 1.00 0.00 O ATOM 1324 CB ILE A 870 6.933 7.601 12.372 1.00 0.00 C ATOM 1325 CG1 ILE A 870 6.976 9.057 12.840 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.615 7.453 11.020 1.00 0.00 C ATOM 1327 CD1 ILE A 870 6.782 9.218 14.332 1.00 0.00 C ATOM 0 H ILE A 870 5.684 6.652 14.332 1.00 0.00 H new ATOM 0 HA ILE A 870 4.846 7.914 11.924 1.00 0.00 H new ATOM 0 HB ILE A 870 7.471 6.990 13.097 1.00 0.00 H new ATOM 0 HG12 ILE A 870 7.934 9.493 12.557 1.00 0.00 H new ATOM 0 HG13 ILE A 870 6.203 9.621 12.318 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.643 7.807 11.091 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.612 6.404 10.724 1.00 0.00 H new ATOM 0 HG23 ILE A 870 7.079 8.042 10.276 1.00 0.00 H new ATOM 0 HD11 ILE A 870 6.824 10.276 14.592 1.00 0.00 H new ATOM 0 HD12 ILE A 870 5.812 8.812 14.619 1.00 0.00 H new ATOM 0 HD13 ILE A 870 7.570 8.682 14.861 1.00 0.00 H new ATOM 1339 N ILE A 871 4.455 5.986 10.403 1.00 0.00 N ATOM 1340 CA ILE A 871 4.281 4.924 9.420 1.00 0.00 C ATOM 1341 C ILE A 871 4.966 5.275 8.104 1.00 0.00 C ATOM 1342 O ILE A 871 5.105 6.448 7.756 1.00 0.00 O ATOM 1343 CB ILE A 871 2.790 4.645 9.152 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.220 5.686 8.186 1.00 0.00 C ATOM 1345 CG2 ILE A 871 2.009 4.641 10.457 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.584 5.432 6.740 1.00 0.00 C ATOM 0 H ILE A 871 3.796 6.759 10.310 1.00 0.00 H new ATOM 0 HA ILE A 871 4.741 4.028 9.838 1.00 0.00 H new ATOM 0 HB ILE A 871 2.696 3.661 8.693 1.00 0.00 H new ATOM 0 HG12 ILE A 871 1.134 5.702 8.281 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.580 6.673 8.475 1.00 0.00 H new ATOM 0 HG21 ILE A 871 0.957 4.443 10.251 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.403 3.866 11.114 1.00 0.00 H new ATOM 0 HG23 ILE A 871 2.107 5.612 10.942 1.00 0.00 H new ATOM 0 HD11 ILE A 871 2.146 6.209 6.113 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.668 5.445 6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 871 2.200 4.459 6.434 1.00 0.00 H new ATOM 1358 N LYS A 872 5.393 4.250 7.374 1.00 0.00 N ATOM 1359 CA LYS A 872 6.061 4.447 6.093 1.00 0.00 C ATOM 1360 C LYS A 872 5.239 3.856 4.953 1.00 0.00 C ATOM 1361 O LYS A 872 4.536 2.862 5.132 1.00 0.00 O ATOM 1362 CB LYS A 872 7.452 3.810 6.117 1.00 0.00 C ATOM 1363 CG LYS A 872 8.299 4.151 4.903 1.00 0.00 C ATOM 1364 CD LYS A 872 9.614 3.390 4.908 1.00 0.00 C ATOM 1365 CE LYS A 872 10.600 3.990 5.899 1.00 0.00 C ATOM 1366 NZ LYS A 872 11.313 5.167 5.329 1.00 0.00 N ATOM 0 H LYS A 872 5.288 3.273 7.648 1.00 0.00 H new ATOM 0 HA LYS A 872 6.162 5.519 5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 872 7.975 4.134 7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.345 2.727 6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 872 7.745 3.916 3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 872 8.498 5.223 4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 872 9.431 2.346 5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 872 10.047 3.403 3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 872 10.069 4.290 6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 872 11.327 3.232 6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 11.975 5.547 6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 11.840 4.876 4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 10.622 5.901 5.073 1.00 0.00 H new ATOM 1380 N VAL A 873 5.332 4.474 3.780 1.00 0.00 N ATOM 1381 CA VAL A 873 4.598 4.008 2.609 1.00 0.00 C ATOM 1382 C VAL A 873 5.543 3.709 1.451 1.00 0.00 C ATOM 1383 O VAL A 873 6.250 4.593 0.970 1.00 0.00 O ATOM 1384 CB VAL A 873 3.554 5.044 2.151 1.00 0.00 C ATOM 1385 CG1 VAL A 873 2.898 4.602 0.852 1.00 0.00 C ATOM 1386 CG2 VAL A 873 2.512 5.265 3.237 1.00 0.00 C ATOM 0 H VAL A 873 5.909 5.299 3.615 1.00 0.00 H new ATOM 0 HA VAL A 873 4.085 3.092 2.902 1.00 0.00 H new ATOM 0 HB VAL A 873 4.062 5.991 1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 873 2.163 5.346 0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 873 3.658 4.500 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.402 3.643 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 873 1.782 6.000 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.006 4.324 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.000 5.630 4.141 1.00 0.00 H new ATOM 1396 N ALA A 874 5.550 2.455 1.009 1.00 0.00 N ATOM 1397 CA ALA A 874 6.407 2.040 -0.095 1.00 0.00 C ATOM 1398 C ALA A 874 5.581 1.489 -1.253 1.00 0.00 C ATOM 1399 O ALA A 874 4.465 1.006 -1.057 1.00 0.00 O ATOM 1400 CB ALA A 874 7.413 1.002 0.380 1.00 0.00 C ATOM 0 H ALA A 874 4.972 1.710 1.398 1.00 0.00 H new ATOM 0 HA ALA A 874 6.948 2.916 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 874 8.047 0.701 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 874 8.031 1.429 1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 874 6.883 0.131 0.766 1.00 0.00 H new ATOM 1406 N ILE A 875 6.137 1.564 -2.457 1.00 0.00 N ATOM 1407 CA ILE A 875 5.452 1.072 -3.646 1.00 0.00 C ATOM 1408 C ILE A 875 5.252 -0.439 -3.580 1.00 0.00 C ATOM 1409 O ILE A 875 6.208 -1.195 -3.410 1.00 0.00 O ATOM 1410 CB ILE A 875 6.230 1.419 -4.929 1.00 0.00 C ATOM 1411 CG1 ILE A 875 6.650 2.891 -4.913 1.00 0.00 C ATOM 1412 CG2 ILE A 875 5.386 1.117 -6.158 1.00 0.00 C ATOM 1413 CD1 ILE A 875 5.488 3.850 -4.781 1.00 0.00 C ATOM 0 H ILE A 875 7.060 1.961 -2.635 1.00 0.00 H new ATOM 0 HA ILE A 875 4.480 1.564 -3.676 1.00 0.00 H new ATOM 0 HB ILE A 875 7.129 0.804 -4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 875 7.341 3.054 -4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 875 7.193 3.115 -5.831 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.949 1.367 -7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 875 5.131 0.057 -6.173 1.00 0.00 H new ATOM 0 HG23 ILE A 875 4.472 1.710 -6.126 1.00 0.00 H new ATOM 0 HD11 ILE A 875 5.860 4.874 -4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 875 4.807 3.715 -5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 875 4.958 3.653 -3.849 1.00 0.00 H new ATOM 1425 N SER A 876 4.003 -0.872 -3.718 1.00 0.00 N ATOM 1426 CA SER A 876 3.676 -2.292 -3.671 1.00 0.00 C ATOM 1427 C SER A 876 4.472 -3.066 -4.718 1.00 0.00 C ATOM 1428 O SER A 876 4.459 -2.725 -5.900 1.00 0.00 O ATOM 1429 CB SER A 876 2.178 -2.500 -3.896 1.00 0.00 C ATOM 1430 OG SER A 876 1.873 -3.874 -4.064 1.00 0.00 O ATOM 0 H SER A 876 3.201 -0.259 -3.863 1.00 0.00 H new ATOM 0 HA SER A 876 3.943 -2.669 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 876 1.621 -2.102 -3.048 1.00 0.00 H new ATOM 0 HB3 SER A 876 1.859 -1.943 -4.777 1.00 0.00 H new ATOM 0 HG SER A 876 1.038 -4.084 -3.595 1.00 0.00 H new