USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 565 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 Single : A 768 TYR OH : rot 15:sc= -0.0246 USER MOD Single : A 769 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.35) USER MOD Single : A 779 THR OG1 : rot -160:sc= -0.53 USER MOD Single : A 801 GLN : amide:sc= -0.376 K(o=-0.38,f=-1.6) USER MOD Single : A 802 TYR OH : rot 180:sc= 0 USER MOD Single : A 804 SER OG : rot 180:sc= 0 USER MOD Single : A 805 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 808 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 810 SER OG : rot 180:sc= 0 USER MOD Single : A 813 ASN : amide:sc= -0.229 K(o=-0.23,f=-1.1) USER MOD Single : A 816 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 818 THR OG1 : rot 83:sc= 1.3 USER MOD Single : A 826 THR OG1 : rot 30:sc= 0.486 USER MOD Single : A 834 GLN : amide:sc= -0.445 K(o=-0.44,f=-0.95) USER MOD Single : A 837 TYR OH : rot 180:sc= 0 USER MOD Single : A 842 HIS : no HE2:sc= -0.0402 K(o=-0.04,f=-3.9!) USER MOD Single : A 849 GLN : amide:sc= -1.55 K(o=-1.6,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 261 N TYR A 768 -3.859 21.113 -10.196 1.00 24.10 N ATOM 262 CA TYR A 768 -2.755 22.065 -10.217 1.00 5.14 C ATOM 263 C TYR A 768 -2.643 22.741 -11.580 1.00 15.02 C ATOM 264 O TYR A 768 -2.719 23.965 -11.687 1.00 15.52 O ATOM 265 CB TYR A 768 -1.440 21.361 -9.875 1.00 50.24 C ATOM 266 CG TYR A 768 -0.232 22.268 -9.942 1.00 53.42 C ATOM 267 CD1 TYR A 768 0.919 21.877 -10.614 1.00 50.13 C ATOM 268 CD2 TYR A 768 -0.243 23.518 -9.334 1.00 31.31 C ATOM 269 CE1 TYR A 768 2.025 22.703 -10.677 1.00 72.41 C ATOM 270 CE2 TYR A 768 0.858 24.350 -9.393 1.00 13.41 C ATOM 271 CZ TYR A 768 1.989 23.938 -10.065 1.00 43.22 C ATOM 272 OH TYR A 768 3.088 24.764 -10.127 1.00 24.13 O ATOM 0 HA TYR A 768 -2.956 22.831 -9.468 1.00 5.14 H new ATOM 0 HB2 TYR A 768 -1.513 20.941 -8.872 1.00 50.24 H new ATOM 0 HB3 TYR A 768 -1.296 20.526 -10.561 1.00 50.24 H new ATOM 0 HD1 TYR A 768 0.950 20.911 -11.096 1.00 50.13 H new ATOM 0 HD2 TYR A 768 -1.127 23.844 -8.807 1.00 31.31 H new ATOM 0 HE1 TYR A 768 2.913 22.383 -11.203 1.00 72.41 H new ATOM 0 HE2 TYR A 768 0.833 25.318 -8.915 1.00 13.41 H new ATOM 0 HH TYR A 768 3.700 24.443 -10.822 1.00 24.13 H new ATOM 282 N HIS A 769 -2.464 21.934 -12.620 1.00 63.35 N ATOM 283 CA HIS A 769 -2.343 22.452 -13.978 1.00 53.34 C ATOM 284 C HIS A 769 -3.555 23.305 -14.344 1.00 23.31 C ATOM 285 O HIS A 769 -3.419 24.361 -14.961 1.00 41.13 O ATOM 286 CB HIS A 769 -2.195 21.302 -14.975 1.00 11.11 C ATOM 287 CG HIS A 769 -1.092 20.350 -14.631 1.00 25.24 C ATOM 288 ND1 HIS A 769 -0.020 20.695 -13.834 1.00 54.50 N ATOM 289 CD2 HIS A 769 -0.898 19.056 -14.978 1.00 41.13 C ATOM 290 CE1 HIS A 769 0.785 19.656 -13.708 1.00 43.11 C ATOM 291 NE2 HIS A 769 0.275 18.648 -14.393 1.00 2.24 N ATOM 0 H HIS A 769 -2.399 20.919 -12.549 1.00 63.35 H new ATOM 0 HA HIS A 769 -1.452 23.078 -14.023 1.00 53.34 H new ATOM 0 HB2 HIS A 769 -3.135 20.753 -15.026 1.00 11.11 H new ATOM 0 HB3 HIS A 769 -2.012 21.714 -15.968 1.00 11.11 H new ATOM 0 HD2 HIS A 769 -1.546 18.456 -15.600 1.00 41.13 H new ATOM 0 HE1 HIS A 769 1.704 19.634 -13.141 1.00 43.11 H new ATOM 0 HE2 HIS A 769 0.686 17.718 -14.474 1.00 2.24 H new ATOM 299 N ARG A 770 -4.738 22.838 -13.959 1.00 52.22 N ATOM 300 CA ARG A 770 -5.973 23.557 -14.248 1.00 73.23 C ATOM 301 C ARG A 770 -5.979 24.923 -13.569 1.00 34.15 C ATOM 302 O ARG A 770 -6.110 25.956 -14.227 1.00 64.43 O ATOM 303 CB ARG A 770 -7.183 22.741 -13.788 1.00 22.11 C ATOM 304 CG ARG A 770 -8.401 23.589 -13.460 1.00 43.23 C ATOM 305 CD ARG A 770 -9.586 22.728 -13.053 1.00 52.03 C ATOM 306 NE ARG A 770 -10.854 23.437 -13.203 1.00 74.40 N ATOM 307 CZ ARG A 770 -11.278 24.372 -12.360 1.00 45.12 C ATOM 308 NH1 ARG A 770 -10.537 24.710 -11.314 1.00 31.05 N ATOM 309 NH2 ARG A 770 -12.443 24.972 -12.564 1.00 34.03 N ATOM 0 H ARG A 770 -4.867 21.966 -13.447 1.00 52.22 H new ATOM 0 HA ARG A 770 -6.033 23.707 -15.326 1.00 73.23 H new ATOM 0 HB2 ARG A 770 -7.447 22.027 -14.568 1.00 22.11 H new ATOM 0 HB3 ARG A 770 -6.906 22.162 -12.907 1.00 22.11 H new ATOM 0 HG2 ARG A 770 -8.158 24.280 -12.653 1.00 43.23 H new ATOM 0 HG3 ARG A 770 -8.669 24.193 -14.327 1.00 43.23 H new ATOM 0 HD2 ARG A 770 -9.602 21.823 -13.661 1.00 52.03 H new ATOM 0 HD3 ARG A 770 -9.467 22.414 -12.016 1.00 52.03 H new ATOM 0 HE ARG A 770 -11.447 23.201 -13.999 1.00 74.40 H new ATOM 0 HH11 ARG A 770 -9.640 24.252 -11.155 1.00 31.05 H new ATOM 0 HH12 ARG A 770 -10.864 25.428 -10.668 1.00 31.05 H new ATOM 0 HH21 ARG A 770 -13.015 24.716 -13.369 1.00 34.03 H new ATOM 0 HH22 ARG A 770 -12.767 25.690 -11.916 1.00 34.03 H new ATOM 323 N LEU A 771 -5.838 24.921 -12.248 1.00 12.24 N ATOM 324 CA LEU A 771 -5.828 26.160 -11.478 1.00 3.23 C ATOM 325 C LEU A 771 -4.852 27.167 -12.079 1.00 22.42 C ATOM 326 O LEU A 771 -5.203 28.323 -12.313 1.00 72.14 O ATOM 327 CB LEU A 771 -5.453 25.876 -10.022 1.00 50.11 C ATOM 328 CG LEU A 771 -6.006 26.853 -8.984 1.00 31.23 C ATOM 329 CD1 LEU A 771 -5.471 28.255 -9.231 1.00 24.51 C ATOM 330 CD2 LEU A 771 -7.528 26.850 -9.006 1.00 23.42 C ATOM 0 H LEU A 771 -5.729 24.076 -11.688 1.00 12.24 H new ATOM 0 HA LEU A 771 -6.830 26.588 -11.512 1.00 3.23 H new ATOM 0 HB2 LEU A 771 -5.798 24.874 -9.768 1.00 50.11 H new ATOM 0 HB3 LEU A 771 -4.366 25.869 -9.942 1.00 50.11 H new ATOM 0 HG LEU A 771 -5.676 26.529 -7.997 1.00 31.23 H new ATOM 0 HD11 LEU A 771 -5.876 28.936 -8.482 1.00 24.51 H new ATOM 0 HD12 LEU A 771 -4.383 28.246 -9.163 1.00 24.51 H new ATOM 0 HD13 LEU A 771 -5.770 28.589 -10.225 1.00 24.51 H new ATOM 0 HD21 LEU A 771 -7.904 27.551 -8.261 1.00 23.42 H new ATOM 0 HD22 LEU A 771 -7.878 27.148 -9.994 1.00 23.42 H new ATOM 0 HD23 LEU A 771 -7.893 25.848 -8.779 1.00 23.42 H new ATOM 342 N ARG A 772 -3.626 26.718 -12.327 1.00 43.15 N ATOM 343 CA ARG A 772 -2.599 27.579 -12.902 1.00 52.14 C ATOM 344 C ARG A 772 -2.988 28.023 -14.310 1.00 4.03 C ATOM 345 O ARG A 772 -2.646 29.124 -14.741 1.00 4.55 O ATOM 346 CB ARG A 772 -1.254 26.851 -12.939 1.00 33.02 C ATOM 347 CG ARG A 772 -0.515 26.871 -11.611 1.00 44.31 C ATOM 348 CD ARG A 772 0.981 26.678 -11.804 1.00 23.01 C ATOM 349 NE ARG A 772 1.279 25.533 -12.660 1.00 44.34 N ATOM 350 CZ ARG A 772 2.495 25.254 -13.117 1.00 41.25 C ATOM 351 NH1 ARG A 772 3.521 26.033 -12.801 1.00 73.32 N ATOM 352 NH2 ARG A 772 2.687 24.194 -13.892 1.00 53.23 N ATOM 0 H ARG A 772 -3.320 25.763 -12.139 1.00 43.15 H new ATOM 0 HA ARG A 772 -2.508 28.464 -12.272 1.00 52.14 H new ATOM 0 HB2 ARG A 772 -1.419 25.816 -13.238 1.00 33.02 H new ATOM 0 HB3 ARG A 772 -0.624 27.307 -13.703 1.00 33.02 H new ATOM 0 HG2 ARG A 772 -0.699 27.819 -11.105 1.00 44.31 H new ATOM 0 HG3 ARG A 772 -0.904 26.084 -10.965 1.00 44.31 H new ATOM 0 HD2 ARG A 772 1.409 27.579 -12.242 1.00 23.01 H new ATOM 0 HD3 ARG A 772 1.457 26.538 -10.833 1.00 23.01 H new ATOM 0 HE ARG A 772 0.512 24.914 -12.921 1.00 44.34 H new ATOM 0 HH11 ARG A 772 3.378 26.849 -12.206 1.00 73.32 H new ATOM 0 HH12 ARG A 772 4.453 25.816 -13.153 1.00 73.32 H new ATOM 0 HH21 ARG A 772 1.901 23.593 -14.137 1.00 53.23 H new ATOM 0 HH22 ARG A 772 3.621 23.981 -14.242 1.00 53.23 H new ATOM 366 N ASP A 773 -3.703 27.159 -15.021 1.00 21.53 N ATOM 367 CA ASP A 773 -4.138 27.461 -16.379 1.00 55.22 C ATOM 368 C ASP A 773 -5.085 28.658 -16.392 1.00 62.35 C ATOM 369 O ASP A 773 -4.817 29.668 -17.045 1.00 22.42 O ATOM 370 CB ASP A 773 -4.826 26.244 -17.000 1.00 51.42 C ATOM 371 CG ASP A 773 -5.097 26.426 -18.481 1.00 34.43 C ATOM 372 OD1 ASP A 773 -6.045 27.163 -18.825 1.00 1.22 O ATOM 373 OD2 ASP A 773 -4.362 25.830 -19.295 1.00 42.54 O ATOM 0 H ASP A 773 -3.994 26.243 -14.679 1.00 21.53 H new ATOM 0 HA ASP A 773 -3.257 27.711 -16.970 1.00 55.22 H new ATOM 0 HB2 ASP A 773 -4.201 25.363 -16.853 1.00 51.42 H new ATOM 0 HB3 ASP A 773 -5.767 26.058 -16.482 1.00 51.42 H new ATOM 378 N LEU A 774 -6.193 28.537 -15.670 1.00 3.15 N ATOM 379 CA LEU A 774 -7.180 29.608 -15.599 1.00 14.44 C ATOM 380 C LEU A 774 -6.559 30.886 -15.042 1.00 34.50 C ATOM 381 O LEU A 774 -6.739 31.970 -15.598 1.00 72.33 O ATOM 382 CB LEU A 774 -8.363 29.181 -14.728 1.00 13.32 C ATOM 383 CG LEU A 774 -9.461 30.227 -14.526 1.00 45.14 C ATOM 384 CD1 LEU A 774 -9.950 30.753 -15.867 1.00 65.31 C ATOM 385 CD2 LEU A 774 -10.616 29.641 -13.728 1.00 3.02 C ATOM 0 H LEU A 774 -6.430 27.708 -15.125 1.00 3.15 H new ATOM 0 HA LEU A 774 -7.534 29.809 -16.610 1.00 14.44 H new ATOM 0 HB2 LEU A 774 -8.813 28.293 -15.171 1.00 13.32 H new ATOM 0 HB3 LEU A 774 -7.981 28.890 -13.749 1.00 13.32 H new ATOM 0 HG LEU A 774 -9.043 31.061 -13.962 1.00 45.14 H new ATOM 0 HD11 LEU A 774 -10.731 31.496 -15.704 1.00 65.31 H new ATOM 0 HD12 LEU A 774 -9.119 31.212 -16.403 1.00 65.31 H new ATOM 0 HD13 LEU A 774 -10.351 29.929 -16.457 1.00 65.31 H new ATOM 0 HD21 LEU A 774 -11.387 30.399 -13.594 1.00 3.02 H new ATOM 0 HD22 LEU A 774 -11.034 28.789 -14.265 1.00 3.02 H new ATOM 0 HD23 LEU A 774 -10.256 29.314 -12.753 1.00 3.02 H new ATOM 397 N LEU A 775 -5.827 30.750 -13.942 1.00 44.23 N ATOM 398 CA LEU A 775 -5.176 31.893 -13.311 1.00 10.11 C ATOM 399 C LEU A 775 -4.176 32.544 -14.261 1.00 64.40 C ATOM 400 O LEU A 775 -3.964 33.756 -14.221 1.00 44.43 O ATOM 401 CB LEU A 775 -4.468 31.457 -12.027 1.00 70.10 C ATOM 402 CG LEU A 775 -4.321 32.527 -10.945 1.00 1.12 C ATOM 403 CD1 LEU A 775 -4.233 31.886 -9.569 1.00 34.04 C ATOM 404 CD2 LEU A 775 -3.097 33.391 -11.212 1.00 23.32 C ATOM 0 H LEU A 775 -5.669 29.860 -13.469 1.00 44.23 H new ATOM 0 HA LEU A 775 -5.944 32.626 -13.064 1.00 10.11 H new ATOM 0 HB2 LEU A 775 -5.013 30.613 -11.604 1.00 70.10 H new ATOM 0 HB3 LEU A 775 -3.474 31.095 -12.289 1.00 70.10 H new ATOM 0 HG LEU A 775 -5.204 33.165 -10.970 1.00 1.12 H new ATOM 0 HD11 LEU A 775 -4.129 32.663 -8.812 1.00 34.04 H new ATOM 0 HD12 LEU A 775 -5.139 31.311 -9.377 1.00 34.04 H new ATOM 0 HD13 LEU A 775 -3.368 31.224 -9.531 1.00 34.04 H new ATOM 0 HD21 LEU A 775 -3.008 34.147 -10.432 1.00 23.32 H new ATOM 0 HD22 LEU A 775 -2.204 32.766 -11.215 1.00 23.32 H new ATOM 0 HD23 LEU A 775 -3.201 33.880 -12.181 1.00 23.32 H new ATOM 416 N LEU A 776 -3.565 31.731 -15.116 1.00 22.33 N ATOM 417 CA LEU A 776 -2.588 32.227 -16.079 1.00 22.03 C ATOM 418 C LEU A 776 -3.261 33.085 -17.145 1.00 14.13 C ATOM 419 O LEU A 776 -2.959 34.271 -17.283 1.00 35.11 O ATOM 420 CB LEU A 776 -1.853 31.058 -16.738 1.00 1.53 C ATOM 421 CG LEU A 776 -0.940 31.416 -17.911 1.00 61.22 C ATOM 422 CD1 LEU A 776 0.149 32.379 -17.466 1.00 2.30 C ATOM 423 CD2 LEU A 776 -0.329 30.159 -18.514 1.00 31.14 C ATOM 0 H LEU A 776 -3.729 30.725 -15.162 1.00 22.33 H new ATOM 0 HA LEU A 776 -1.868 32.845 -15.543 1.00 22.03 H new ATOM 0 HB2 LEU A 776 -1.255 30.556 -15.978 1.00 1.53 H new ATOM 0 HB3 LEU A 776 -2.594 30.339 -17.087 1.00 1.53 H new ATOM 0 HG LEU A 776 -1.540 31.908 -18.676 1.00 61.22 H new ATOM 0 HD11 LEU A 776 0.789 32.622 -18.314 1.00 2.30 H new ATOM 0 HD12 LEU A 776 -0.307 33.292 -17.082 1.00 2.30 H new ATOM 0 HD13 LEU A 776 0.747 31.915 -16.682 1.00 2.30 H new ATOM 0 HD21 LEU A 776 0.318 30.433 -19.348 1.00 31.14 H new ATOM 0 HD22 LEU A 776 0.257 29.639 -17.756 1.00 31.14 H new ATOM 0 HD23 LEU A 776 -1.123 29.504 -18.871 1.00 31.14 H new ATOM 435 N ILE A 777 -4.176 32.479 -17.894 1.00 60.20 N ATOM 436 CA ILE A 777 -4.895 33.189 -18.945 1.00 24.50 C ATOM 437 C ILE A 777 -5.537 34.463 -18.408 1.00 20.14 C ATOM 438 O ILE A 777 -5.489 35.513 -19.048 1.00 72.03 O ATOM 439 CB ILE A 777 -5.986 32.304 -19.577 1.00 4.20 C ATOM 440 CG1 ILE A 777 -6.796 33.107 -20.596 1.00 74.15 C ATOM 441 CG2 ILE A 777 -6.896 31.734 -18.499 1.00 45.12 C ATOM 442 CD1 ILE A 777 -5.954 33.707 -21.700 1.00 52.43 C ATOM 0 H ILE A 777 -4.437 31.498 -17.793 1.00 60.20 H new ATOM 0 HA ILE A 777 -4.162 33.449 -19.709 1.00 24.50 H new ATOM 0 HB ILE A 777 -5.506 31.474 -20.095 1.00 4.20 H new ATOM 0 HG12 ILE A 777 -7.552 32.459 -21.039 1.00 74.15 H new ATOM 0 HG13 ILE A 777 -7.325 33.907 -20.078 1.00 74.15 H new ATOM 0 HG21 ILE A 777 -7.662 31.111 -18.961 1.00 45.12 H new ATOM 0 HG22 ILE A 777 -6.307 31.132 -17.807 1.00 45.12 H new ATOM 0 HG23 ILE A 777 -7.372 32.550 -17.956 1.00 45.12 H new ATOM 0 HD11 ILE A 777 -6.595 34.262 -22.385 1.00 52.43 H new ATOM 0 HD12 ILE A 777 -5.214 34.381 -21.268 1.00 52.43 H new ATOM 0 HD13 ILE A 777 -5.445 32.911 -22.243 1.00 52.43 H new ATOM 454 N VAL A 778 -6.137 34.364 -17.226 1.00 21.35 N ATOM 455 CA VAL A 778 -6.787 35.509 -16.599 1.00 64.14 C ATOM 456 C VAL A 778 -5.778 36.607 -16.282 1.00 11.21 C ATOM 457 O VAL A 778 -5.857 37.713 -16.818 1.00 53.01 O ATOM 458 CB VAL A 778 -7.512 35.103 -15.303 1.00 33.01 C ATOM 459 CG1 VAL A 778 -8.038 36.332 -14.578 1.00 0.33 C ATOM 460 CG2 VAL A 778 -8.641 34.130 -15.607 1.00 72.20 C ATOM 0 H VAL A 778 -6.186 33.502 -16.683 1.00 21.35 H new ATOM 0 HA VAL A 778 -7.519 35.887 -17.312 1.00 64.14 H new ATOM 0 HB VAL A 778 -6.798 34.603 -14.649 1.00 33.01 H new ATOM 0 HG11 VAL A 778 -8.547 36.025 -13.664 1.00 0.33 H new ATOM 0 HG12 VAL A 778 -7.206 36.990 -14.326 1.00 0.33 H new ATOM 0 HG13 VAL A 778 -8.738 36.863 -15.223 1.00 0.33 H new ATOM 0 HG21 VAL A 778 -9.143 33.854 -14.680 1.00 72.20 H new ATOM 0 HG22 VAL A 778 -9.357 34.602 -16.280 1.00 72.20 H new ATOM 0 HG23 VAL A 778 -8.234 33.236 -16.080 1.00 72.20 H new ATOM 470 N THR A 779 -4.828 36.295 -15.406 1.00 2.31 N ATOM 471 CA THR A 779 -3.803 37.255 -15.016 1.00 11.43 C ATOM 472 C THR A 779 -3.128 37.867 -16.238 1.00 72.53 C ATOM 473 O THR A 779 -2.728 39.031 -16.221 1.00 71.31 O ATOM 474 CB THR A 779 -2.730 36.601 -14.125 1.00 15.14 C ATOM 475 OG1 THR A 779 -3.332 36.089 -12.930 1.00 44.20 O ATOM 476 CG2 THR A 779 -1.644 37.602 -13.763 1.00 4.03 C ATOM 0 H THR A 779 -4.747 35.385 -14.953 1.00 2.31 H new ATOM 0 HA THR A 779 -4.305 38.040 -14.451 1.00 11.43 H new ATOM 0 HB THR A 779 -2.275 35.782 -14.682 1.00 15.14 H new ATOM 0 HG1 THR A 779 -2.644 35.968 -12.243 1.00 44.20 H new ATOM 0 HG21 THR A 779 -0.898 37.117 -13.134 1.00 4.03 H new ATOM 0 HG22 THR A 779 -1.169 37.968 -14.673 1.00 4.03 H new ATOM 0 HG23 THR A 779 -2.086 38.439 -13.223 1.00 4.03 H new ATOM 484 N ARG A 780 -3.005 37.075 -17.298 1.00 73.54 N ATOM 485 CA ARG A 780 -2.378 37.538 -18.530 1.00 0.40 C ATOM 486 C ARG A 780 -3.215 38.631 -19.188 1.00 51.05 C ATOM 487 O ARG A 780 -2.727 39.732 -19.443 1.00 4.44 O ATOM 488 CB ARG A 780 -2.188 36.372 -19.501 1.00 64.22 C ATOM 489 CG ARG A 780 -1.435 36.749 -20.767 1.00 0.54 C ATOM 490 CD ARG A 780 -0.041 37.269 -20.451 1.00 52.55 C ATOM 491 NE ARG A 780 0.728 36.322 -19.649 1.00 10.20 N ATOM 492 CZ ARG A 780 1.877 36.625 -19.055 1.00 51.20 C ATOM 493 NH1 ARG A 780 2.387 37.844 -19.172 1.00 74.54 N ATOM 494 NH2 ARG A 780 2.518 35.709 -18.341 1.00 61.43 N ATOM 0 H ARG A 780 -3.331 36.109 -17.328 1.00 73.54 H new ATOM 0 HA ARG A 780 -1.402 37.953 -18.278 1.00 0.40 H new ATOM 0 HB2 ARG A 780 -1.650 35.572 -18.993 1.00 64.22 H new ATOM 0 HB3 ARG A 780 -3.166 35.975 -19.775 1.00 64.22 H new ATOM 0 HG2 ARG A 780 -1.361 35.880 -21.420 1.00 0.54 H new ATOM 0 HG3 ARG A 780 -1.994 37.510 -21.311 1.00 0.54 H new ATOM 0 HD2 ARG A 780 0.490 37.471 -21.381 1.00 52.55 H new ATOM 0 HD3 ARG A 780 -0.120 38.216 -19.917 1.00 52.55 H new ATOM 0 HE ARG A 780 0.363 35.376 -19.539 1.00 10.20 H new ATOM 0 HH11 ARG A 780 1.897 38.552 -19.719 1.00 74.54 H new ATOM 0 HH12 ARG A 780 3.269 38.074 -18.715 1.00 74.54 H new ATOM 0 HH21 ARG A 780 2.129 34.771 -18.248 1.00 61.43 H new ATOM 0 HH22 ARG A 780 3.400 35.943 -17.885 1.00 61.43 H new ATOM 508 N ILE A 781 -4.477 38.318 -19.462 1.00 51.22 N ATOM 509 CA ILE A 781 -5.381 39.273 -20.090 1.00 54.32 C ATOM 510 C ILE A 781 -5.559 40.515 -19.223 1.00 22.23 C ATOM 511 O ILE A 781 -5.828 41.605 -19.727 1.00 70.15 O ATOM 512 CB ILE A 781 -6.763 38.648 -20.360 1.00 23.43 C ATOM 513 CG1 ILE A 781 -6.632 37.465 -21.322 1.00 31.03 C ATOM 514 CG2 ILE A 781 -7.717 39.691 -20.921 1.00 44.31 C ATOM 515 CD1 ILE A 781 -6.164 37.860 -22.705 1.00 1.02 C ATOM 0 H ILE A 781 -4.896 37.411 -19.259 1.00 51.22 H new ATOM 0 HA ILE A 781 -4.928 39.557 -21.040 1.00 54.32 H new ATOM 0 HB ILE A 781 -7.170 38.283 -19.417 1.00 23.43 H new ATOM 0 HG12 ILE A 781 -5.932 36.742 -20.903 1.00 31.03 H new ATOM 0 HG13 ILE A 781 -7.597 36.964 -21.403 1.00 31.03 H new ATOM 0 HG21 ILE A 781 -8.689 39.233 -21.106 1.00 44.31 H new ATOM 0 HG22 ILE A 781 -7.830 40.504 -20.204 1.00 44.31 H new ATOM 0 HG23 ILE A 781 -7.317 40.084 -21.856 1.00 44.31 H new ATOM 0 HD11 ILE A 781 -6.094 36.972 -23.333 1.00 1.02 H new ATOM 0 HD12 ILE A 781 -6.875 38.559 -23.144 1.00 1.02 H new ATOM 0 HD13 ILE A 781 -5.185 38.334 -22.636 1.00 1.02 H new ATOM 527 N VAL A 782 -5.404 40.342 -17.914 1.00 12.53 N ATOM 528 CA VAL A 782 -5.544 41.449 -16.975 1.00 51.31 C ATOM 529 C VAL A 782 -4.371 42.416 -17.087 1.00 1.40 C ATOM 530 O VAL A 782 -4.560 43.618 -17.273 1.00 74.23 O ATOM 531 CB VAL A 782 -5.643 40.945 -15.523 1.00 63.11 C ATOM 532 CG1 VAL A 782 -5.740 42.115 -14.557 1.00 13.35 C ATOM 533 CG2 VAL A 782 -6.832 40.010 -15.364 1.00 15.52 C ATOM 0 H VAL A 782 -5.182 39.446 -17.480 1.00 12.53 H new ATOM 0 HA VAL A 782 -6.466 41.969 -17.234 1.00 51.31 H new ATOM 0 HB VAL A 782 -4.737 40.386 -15.288 1.00 63.11 H new ATOM 0 HG11 VAL A 782 -5.809 41.739 -13.536 1.00 13.35 H new ATOM 0 HG12 VAL A 782 -4.853 42.741 -14.654 1.00 13.35 H new ATOM 0 HG13 VAL A 782 -6.627 42.705 -14.787 1.00 13.35 H new ATOM 0 HG21 VAL A 782 -6.887 39.663 -14.332 1.00 15.52 H new ATOM 0 HG22 VAL A 782 -7.749 40.541 -15.618 1.00 15.52 H new ATOM 0 HG23 VAL A 782 -6.713 39.154 -16.028 1.00 15.52 H new ATOM 543 N GLU A 783 -3.158 41.883 -16.972 1.00 55.34 N ATOM 544 CA GLU A 783 -1.954 42.700 -17.061 1.00 0.45 C ATOM 545 C GLU A 783 -1.832 43.342 -18.439 1.00 42.55 C ATOM 546 O GLU A 783 -1.354 44.470 -18.572 1.00 0.12 O ATOM 547 CB GLU A 783 -0.714 41.853 -16.769 1.00 3.34 C ATOM 548 CG GLU A 783 0.475 42.663 -16.278 1.00 33.13 C ATOM 549 CD GLU A 783 0.187 43.394 -14.981 1.00 13.30 C ATOM 550 OE1 GLU A 783 -0.846 43.094 -14.346 1.00 64.52 O ATOM 551 OE2 GLU A 783 0.995 44.268 -14.601 1.00 73.42 O ATOM 0 H GLU A 783 -2.984 40.890 -16.817 1.00 55.34 H new ATOM 0 HA GLU A 783 -2.028 43.492 -16.316 1.00 0.45 H new ATOM 0 HB2 GLU A 783 -0.965 41.102 -16.020 1.00 3.34 H new ATOM 0 HB3 GLU A 783 -0.429 41.317 -17.674 1.00 3.34 H new ATOM 0 HG2 GLU A 783 1.328 41.999 -16.135 1.00 33.13 H new ATOM 0 HG3 GLU A 783 0.758 43.386 -17.043 1.00 33.13 H new ATOM 850 N LEU A 800 -21.650 53.869 -13.191 1.00 1.05 N ATOM 851 CA LEU A 800 -22.096 53.528 -11.844 1.00 50.21 C ATOM 852 C LEU A 800 -22.669 54.751 -11.135 1.00 32.35 C ATOM 853 O LEU A 800 -23.827 54.752 -10.718 1.00 73.52 O ATOM 854 CB LEU A 800 -20.936 52.950 -11.032 1.00 45.50 C ATOM 855 CG LEU A 800 -20.676 51.453 -11.204 1.00 10.45 C ATOM 856 CD1 LEU A 800 -19.254 51.107 -10.789 1.00 53.12 C ATOM 857 CD2 LEU A 800 -21.681 50.642 -10.398 1.00 43.23 C ATOM 0 HA LEU A 800 -22.882 52.777 -11.927 1.00 50.21 H new ATOM 0 HB2 LEU A 800 -20.027 53.489 -11.300 1.00 45.50 H new ATOM 0 HB3 LEU A 800 -21.124 53.147 -9.977 1.00 45.50 H new ATOM 0 HG LEU A 800 -20.796 51.201 -12.258 1.00 10.45 H new ATOM 0 HD11 LEU A 800 -19.087 50.038 -10.918 1.00 53.12 H new ATOM 0 HD12 LEU A 800 -18.549 51.662 -11.408 1.00 53.12 H new ATOM 0 HD13 LEU A 800 -19.105 51.374 -9.743 1.00 53.12 H new ATOM 0 HD21 LEU A 800 -21.481 49.579 -10.532 1.00 43.23 H new ATOM 0 HD22 LEU A 800 -21.592 50.898 -9.342 1.00 43.23 H new ATOM 0 HD23 LEU A 800 -22.690 50.868 -10.742 1.00 43.23 H new ATOM 869 N GLN A 801 -21.851 55.790 -11.003 1.00 30.22 N ATOM 870 CA GLN A 801 -22.278 57.019 -10.345 1.00 50.11 C ATOM 871 C GLN A 801 -23.509 57.604 -11.030 1.00 20.31 C ATOM 872 O GLN A 801 -24.371 58.196 -10.380 1.00 4.20 O ATOM 873 CB GLN A 801 -21.143 58.045 -10.348 1.00 30.43 C ATOM 874 CG GLN A 801 -19.922 57.602 -9.558 1.00 3.41 C ATOM 875 CD GLN A 801 -20.179 57.551 -8.065 1.00 35.11 C ATOM 876 OE1 GLN A 801 -20.929 56.702 -7.582 1.00 30.15 O ATOM 877 NE2 GLN A 801 -19.558 58.461 -7.325 1.00 1.52 N ATOM 0 H GLN A 801 -20.889 55.805 -11.343 1.00 30.22 H new ATOM 0 HA GLN A 801 -22.538 56.778 -9.314 1.00 50.11 H new ATOM 0 HB2 GLN A 801 -20.847 58.244 -11.378 1.00 30.43 H new ATOM 0 HB3 GLN A 801 -21.512 58.984 -9.935 1.00 30.43 H new ATOM 0 HG2 GLN A 801 -19.609 56.616 -9.903 1.00 3.41 H new ATOM 0 HG3 GLN A 801 -19.097 58.286 -9.758 1.00 3.41 H new ATOM 0 HE21 GLN A 801 -18.945 59.146 -7.767 1.00 1.52 H new ATOM 0 HE22 GLN A 801 -19.694 58.475 -6.314 1.00 1.52 H new ATOM 886 N TYR A 802 -23.585 57.433 -12.345 1.00 43.51 N ATOM 887 CA TYR A 802 -24.709 57.947 -13.119 1.00 30.23 C ATOM 888 C TYR A 802 -26.020 57.320 -12.656 1.00 35.34 C ATOM 889 O TYR A 802 -26.934 58.018 -12.216 1.00 21.13 O ATOM 890 CB TYR A 802 -24.498 57.672 -14.609 1.00 3.45 C ATOM 891 CG TYR A 802 -24.223 58.918 -15.421 1.00 23.24 C ATOM 892 CD1 TYR A 802 -25.060 60.023 -15.339 1.00 54.23 C ATOM 893 CD2 TYR A 802 -23.124 58.989 -16.269 1.00 13.34 C ATOM 894 CE1 TYR A 802 -24.813 61.163 -16.080 1.00 73.30 C ATOM 895 CE2 TYR A 802 -22.868 60.125 -17.012 1.00 15.30 C ATOM 896 CZ TYR A 802 -23.716 61.209 -16.915 1.00 11.03 C ATOM 897 OH TYR A 802 -23.466 62.343 -17.653 1.00 63.11 O ATOM 0 H TYR A 802 -22.882 56.942 -12.897 1.00 43.51 H new ATOM 0 HA TYR A 802 -24.765 59.024 -12.960 1.00 30.23 H new ATOM 0 HB2 TYR A 802 -23.665 56.980 -14.728 1.00 3.45 H new ATOM 0 HB3 TYR A 802 -25.383 57.177 -15.008 1.00 3.45 H new ATOM 0 HD1 TYR A 802 -25.919 59.991 -14.685 1.00 54.23 H new ATOM 0 HD2 TYR A 802 -22.459 58.142 -16.348 1.00 13.34 H new ATOM 0 HE1 TYR A 802 -25.475 62.013 -16.006 1.00 73.30 H new ATOM 0 HE2 TYR A 802 -22.009 60.164 -17.665 1.00 15.30 H new ATOM 0 HH TYR A 802 -22.656 62.213 -18.188 1.00 63.11 H new ATOM 907 N TRP A 803 -26.105 55.998 -12.758 1.00 2.34 N ATOM 908 CA TRP A 803 -27.304 55.275 -12.349 1.00 2.31 C ATOM 909 C TRP A 803 -27.637 55.556 -10.888 1.00 13.02 C ATOM 910 O TRP A 803 -28.784 55.847 -10.548 1.00 50.22 O ATOM 911 CB TRP A 803 -27.116 53.772 -12.562 1.00 43.52 C ATOM 912 CG TRP A 803 -26.869 53.402 -13.993 1.00 42.04 C ATOM 913 CD1 TRP A 803 -25.823 52.673 -14.483 1.00 5.34 C ATOM 914 CD2 TRP A 803 -27.683 53.744 -15.120 1.00 13.40 C ATOM 915 NE1 TRP A 803 -25.938 52.542 -15.846 1.00 24.05 N ATOM 916 CE2 TRP A 803 -27.071 53.189 -16.261 1.00 11.33 C ATOM 917 CE3 TRP A 803 -28.871 54.464 -15.276 1.00 32.20 C ATOM 918 CZ2 TRP A 803 -27.607 53.334 -17.538 1.00 33.35 C ATOM 919 CZ3 TRP A 803 -29.402 54.606 -16.544 1.00 1.41 C ATOM 920 CH2 TRP A 803 -28.771 54.043 -17.661 1.00 41.00 C ATOM 0 H TRP A 803 -25.358 55.405 -13.120 1.00 2.34 H new ATOM 0 HA TRP A 803 -28.134 55.621 -12.965 1.00 2.31 H new ATOM 0 HB2 TRP A 803 -26.278 53.428 -11.955 1.00 43.52 H new ATOM 0 HB3 TRP A 803 -28.003 53.248 -12.206 1.00 43.52 H new ATOM 0 HD1 TRP A 803 -25.023 52.260 -13.887 1.00 5.34 H new ATOM 0 HE1 TRP A 803 -25.285 52.044 -16.451 1.00 24.05 H new ATOM 0 HE3 TRP A 803 -29.365 54.901 -14.421 1.00 32.20 H new ATOM 0 HZ2 TRP A 803 -27.121 52.902 -18.401 1.00 33.35 H new ATOM 0 HZ3 TRP A 803 -30.319 55.161 -16.676 1.00 1.41 H new ATOM 0 HH2 TRP A 803 -29.212 54.171 -18.639 1.00 41.00 H new ATOM 931 N SER A 804 -26.628 55.467 -10.027 1.00 72.12 N ATOM 932 CA SER A 804 -26.816 55.708 -8.601 1.00 40.14 C ATOM 933 C SER A 804 -27.514 57.044 -8.364 1.00 32.43 C ATOM 934 O SER A 804 -28.607 57.092 -7.800 1.00 0.31 O ATOM 935 CB SER A 804 -25.468 55.688 -7.877 1.00 54.34 C ATOM 936 OG SER A 804 -25.628 55.348 -6.511 1.00 54.11 O ATOM 0 H SER A 804 -25.672 55.230 -10.292 1.00 72.12 H new ATOM 0 HA SER A 804 -27.446 54.913 -8.203 1.00 40.14 H new ATOM 0 HB2 SER A 804 -24.804 54.970 -8.358 1.00 54.34 H new ATOM 0 HB3 SER A 804 -24.993 56.666 -7.958 1.00 54.34 H new ATOM 0 HG SER A 804 -24.752 55.340 -6.071 1.00 54.11 H new ATOM 942 N GLN A 805 -26.874 58.124 -8.798 1.00 51.41 N ATOM 943 CA GLN A 805 -27.433 59.461 -8.632 1.00 61.11 C ATOM 944 C GLN A 805 -28.804 59.564 -9.292 1.00 62.44 C ATOM 945 O GLN A 805 -29.680 60.283 -8.815 1.00 33.05 O ATOM 946 CB GLN A 805 -26.489 60.509 -9.224 1.00 64.43 C ATOM 947 CG GLN A 805 -27.085 61.906 -9.275 1.00 74.24 C ATOM 948 CD GLN A 805 -26.076 62.957 -9.694 1.00 21.43 C ATOM 949 OE1 GLN A 805 -25.796 63.896 -8.949 1.00 3.23 O ATOM 950 NE2 GLN A 805 -25.523 62.803 -10.891 1.00 40.12 N ATOM 0 H GLN A 805 -25.969 58.100 -9.267 1.00 51.41 H new ATOM 0 HA GLN A 805 -27.549 59.648 -7.565 1.00 61.11 H new ATOM 0 HB2 GLN A 805 -25.573 60.535 -8.634 1.00 64.43 H new ATOM 0 HB3 GLN A 805 -26.210 60.205 -10.233 1.00 64.43 H new ATOM 0 HG2 GLN A 805 -27.923 61.914 -9.972 1.00 74.24 H new ATOM 0 HG3 GLN A 805 -27.484 62.162 -8.294 1.00 74.24 H new ATOM 0 HE21 GLN A 805 -25.785 62.009 -11.475 1.00 40.12 H new ATOM 0 HE22 GLN A 805 -24.836 63.478 -11.226 1.00 40.12 H new ATOM 959 N GLU A 806 -28.981 58.840 -10.393 1.00 62.32 N ATOM 960 CA GLU A 806 -30.245 58.851 -11.119 1.00 54.32 C ATOM 961 C GLU A 806 -31.386 58.361 -10.232 1.00 54.32 C ATOM 962 O GLU A 806 -32.428 59.011 -10.125 1.00 64.31 O ATOM 963 CB GLU A 806 -30.148 57.978 -12.372 1.00 42.40 C ATOM 964 CG GLU A 806 -30.271 58.760 -13.669 1.00 72.34 C ATOM 965 CD GLU A 806 -31.706 58.880 -14.144 1.00 35.23 C ATOM 966 OE1 GLU A 806 -32.550 59.370 -13.363 1.00 65.23 O ATOM 967 OE2 GLU A 806 -31.987 58.484 -15.294 1.00 62.13 O ATOM 0 H GLU A 806 -28.265 58.239 -10.801 1.00 62.32 H new ATOM 0 HA GLU A 806 -30.454 59.879 -11.417 1.00 54.32 H new ATOM 0 HB2 GLU A 806 -29.194 57.451 -12.364 1.00 42.40 H new ATOM 0 HB3 GLU A 806 -30.931 57.221 -12.338 1.00 42.40 H new ATOM 0 HG2 GLU A 806 -29.854 59.757 -13.528 1.00 72.34 H new ATOM 0 HG3 GLU A 806 -29.676 58.272 -14.441 1.00 72.34 H new ATOM 974 N LEU A 807 -31.183 57.212 -9.599 1.00 33.44 N ATOM 975 CA LEU A 807 -32.194 56.633 -8.721 1.00 34.33 C ATOM 976 C LEU A 807 -32.382 57.485 -7.470 1.00 11.31 C ATOM 977 O LEU A 807 -33.492 57.612 -6.952 1.00 60.12 O ATOM 978 CB LEU A 807 -31.801 55.208 -8.326 1.00 44.24 C ATOM 979 CG LEU A 807 -32.225 54.102 -9.294 1.00 1.44 C ATOM 980 CD1 LEU A 807 -31.300 52.901 -9.170 1.00 13.31 C ATOM 981 CD2 LEU A 807 -33.669 53.695 -9.038 1.00 4.02 C ATOM 0 H LEU A 807 -30.327 56.662 -9.677 1.00 33.44 H new ATOM 0 HA LEU A 807 -33.138 56.605 -9.265 1.00 34.33 H new ATOM 0 HB2 LEU A 807 -30.718 55.169 -8.214 1.00 44.24 H new ATOM 0 HB3 LEU A 807 -32.231 54.992 -7.348 1.00 44.24 H new ATOM 0 HG LEU A 807 -32.152 54.487 -10.311 1.00 1.44 H new ATOM 0 HD11 LEU A 807 -31.617 52.124 -9.866 1.00 13.31 H new ATOM 0 HD12 LEU A 807 -30.279 53.203 -9.403 1.00 13.31 H new ATOM 0 HD13 LEU A 807 -31.340 52.514 -8.152 1.00 13.31 H new ATOM 0 HD21 LEU A 807 -33.954 52.907 -9.735 1.00 4.02 H new ATOM 0 HD22 LEU A 807 -33.768 53.328 -8.016 1.00 4.02 H new ATOM 0 HD23 LEU A 807 -34.321 54.557 -9.179 1.00 4.02 H new ATOM 993 N LYS A 808 -31.290 58.070 -6.990 1.00 11.43 N ATOM 994 CA LYS A 808 -31.333 58.915 -5.802 1.00 33.43 C ATOM 995 C LYS A 808 -32.123 60.192 -6.070 1.00 72.41 C ATOM 996 O LYS A 808 -33.127 60.461 -5.412 1.00 52.13 O ATOM 997 CB LYS A 808 -29.914 59.266 -5.348 1.00 74.34 C ATOM 998 CG LYS A 808 -29.113 58.066 -4.873 1.00 35.01 C ATOM 999 CD LYS A 808 -29.464 57.694 -3.442 1.00 25.51 C ATOM 1000 CE LYS A 808 -28.341 56.908 -2.780 1.00 15.51 C ATOM 1001 NZ LYS A 808 -28.392 57.013 -1.295 1.00 74.13 N ATOM 0 H LYS A 808 -30.363 57.974 -7.406 1.00 11.43 H new ATOM 0 HA LYS A 808 -31.834 58.359 -5.010 1.00 33.43 H new ATOM 0 HB2 LYS A 808 -29.385 59.742 -6.174 1.00 74.34 H new ATOM 0 HB3 LYS A 808 -29.970 59.997 -4.542 1.00 74.34 H new ATOM 0 HG2 LYS A 808 -29.305 57.217 -5.528 1.00 35.01 H new ATOM 0 HG3 LYS A 808 -28.048 58.288 -4.942 1.00 35.01 H new ATOM 0 HD2 LYS A 808 -29.664 58.599 -2.868 1.00 25.51 H new ATOM 0 HD3 LYS A 808 -30.379 57.102 -3.433 1.00 25.51 H new ATOM 0 HE2 LYS A 808 -28.409 55.860 -3.073 1.00 15.51 H new ATOM 0 HE3 LYS A 808 -27.380 57.277 -3.138 1.00 15.51 H new ATOM 0 HZ1 LYS A 808 -27.611 56.464 -0.881 1.00 74.13 H new ATOM 0 HZ2 LYS A 808 -28.301 58.010 -1.014 1.00 74.13 H new ATOM 0 HZ3 LYS A 808 -29.299 56.638 -0.951 1.00 74.13 H new ATOM 1015 N ASN A 809 -31.663 60.973 -7.041 1.00 52.45 N ATOM 1016 CA ASN A 809 -32.328 62.222 -7.397 1.00 61.22 C ATOM 1017 C ASN A 809 -33.788 61.975 -7.766 1.00 65.14 C ATOM 1018 O ASN A 809 -34.680 62.706 -7.336 1.00 45.14 O ATOM 1019 CB ASN A 809 -31.602 62.896 -8.563 1.00 72.04 C ATOM 1020 CG ASN A 809 -32.450 63.959 -9.235 1.00 3.44 C ATOM 1021 OD1 ASN A 809 -32.839 63.818 -10.394 1.00 12.21 O ATOM 1022 ND2 ASN A 809 -32.739 65.032 -8.507 1.00 31.33 N ATOM 0 H ASN A 809 -30.833 60.764 -7.596 1.00 52.45 H new ATOM 0 HA ASN A 809 -32.298 62.881 -6.529 1.00 61.22 H new ATOM 0 HB2 ASN A 809 -30.679 63.347 -8.200 1.00 72.04 H new ATOM 0 HB3 ASN A 809 -31.321 62.141 -9.297 1.00 72.04 H new ATOM 0 HD21 ASN A 809 -33.305 65.781 -8.905 1.00 31.33 H new ATOM 0 HD22 ASN A 809 -32.395 65.107 -7.550 1.00 31.33 H new ATOM 1029 N SER A 810 -34.023 60.939 -8.566 1.00 11.25 N ATOM 1030 CA SER A 810 -35.374 60.597 -8.996 1.00 2.15 C ATOM 1031 C SER A 810 -36.241 60.208 -7.803 1.00 34.25 C ATOM 1032 O SER A 810 -37.341 60.731 -7.623 1.00 44.34 O ATOM 1033 CB SER A 810 -35.335 59.451 -10.008 1.00 25.32 C ATOM 1034 OG SER A 810 -36.641 58.998 -10.316 1.00 74.32 O ATOM 0 H SER A 810 -33.296 60.323 -8.929 1.00 11.25 H new ATOM 0 HA SER A 810 -35.812 61.476 -9.470 1.00 2.15 H new ATOM 0 HB2 SER A 810 -34.838 59.783 -10.919 1.00 25.32 H new ATOM 0 HB3 SER A 810 -34.746 58.627 -9.606 1.00 25.32 H new ATOM 0 HG SER A 810 -36.589 58.266 -10.966 1.00 74.32 H new ATOM 1040 N ALA A 811 -35.738 59.285 -6.989 1.00 74.23 N ATOM 1041 CA ALA A 811 -36.465 58.826 -5.812 1.00 73.12 C ATOM 1042 C ALA A 811 -36.926 60.002 -4.958 1.00 52.23 C ATOM 1043 O ALA A 811 -38.105 60.114 -4.623 1.00 13.45 O ATOM 1044 CB ALA A 811 -35.598 57.883 -4.991 1.00 75.20 C ATOM 0 H ALA A 811 -34.830 58.841 -7.124 1.00 74.23 H new ATOM 0 HA ALA A 811 -37.350 58.287 -6.150 1.00 73.12 H new ATOM 0 HB1 ALA A 811 -36.153 57.548 -4.115 1.00 75.20 H new ATOM 0 HB2 ALA A 811 -35.323 57.020 -5.598 1.00 75.20 H new ATOM 0 HB3 ALA A 811 -34.696 58.404 -4.671 1.00 75.20 H new ATOM 1050 N VAL A 812 -35.989 60.877 -4.609 1.00 45.41 N ATOM 1051 CA VAL A 812 -36.299 62.046 -3.794 1.00 62.13 C ATOM 1052 C VAL A 812 -37.274 62.972 -4.511 1.00 53.53 C ATOM 1053 O VAL A 812 -38.155 63.565 -3.889 1.00 5.11 O ATOM 1054 CB VAL A 812 -35.025 62.836 -3.438 1.00 34.22 C ATOM 1055 CG1 VAL A 812 -35.370 64.051 -2.590 1.00 73.05 C ATOM 1056 CG2 VAL A 812 -34.027 61.940 -2.719 1.00 53.43 C ATOM 0 H VAL A 812 -35.008 60.799 -4.878 1.00 45.41 H new ATOM 0 HA VAL A 812 -36.758 61.679 -2.876 1.00 62.13 H new ATOM 0 HB VAL A 812 -34.565 63.186 -4.362 1.00 34.22 H new ATOM 0 HG11 VAL A 812 -34.458 64.597 -2.348 1.00 73.05 H new ATOM 0 HG12 VAL A 812 -36.046 64.702 -3.145 1.00 73.05 H new ATOM 0 HG13 VAL A 812 -35.854 63.726 -1.669 1.00 73.05 H new ATOM 0 HG21 VAL A 812 -33.133 62.514 -2.475 1.00 53.43 H new ATOM 0 HG22 VAL A 812 -34.475 61.559 -1.802 1.00 53.43 H new ATOM 0 HG23 VAL A 812 -33.757 61.105 -3.365 1.00 53.43 H new ATOM 1066 N ASN A 813 -37.111 63.092 -5.825 1.00 14.11 N ATOM 1067 CA ASN A 813 -37.978 63.947 -6.628 1.00 12.12 C ATOM 1068 C ASN A 813 -39.404 63.405 -6.654 1.00 70.12 C ATOM 1069 O ASN A 813 -40.371 64.168 -6.654 1.00 5.53 O ATOM 1070 CB ASN A 813 -37.437 64.061 -8.055 1.00 34.34 C ATOM 1071 CG ASN A 813 -38.177 65.103 -8.872 1.00 24.32 C ATOM 1072 OD1 ASN A 813 -39.077 65.777 -8.371 1.00 24.33 O ATOM 1073 ND2 ASN A 813 -37.799 65.239 -10.138 1.00 23.15 N ATOM 0 H ASN A 813 -36.387 62.608 -6.356 1.00 14.11 H new ATOM 0 HA ASN A 813 -37.993 64.937 -6.172 1.00 12.12 H new ATOM 0 HB2 ASN A 813 -36.378 64.316 -8.020 1.00 34.34 H new ATOM 0 HB3 ASN A 813 -37.516 63.093 -8.549 1.00 34.34 H new ATOM 0 HD21 ASN A 813 -38.260 65.924 -10.737 1.00 23.15 H new ATOM 0 HD22 ASN A 813 -37.048 64.659 -10.511 1.00 23.15 H new ATOM 1080 N LEU A 814 -39.528 62.082 -6.677 1.00 3.45 N ATOM 1081 CA LEU A 814 -40.836 61.437 -6.702 1.00 64.32 C ATOM 1082 C LEU A 814 -41.549 61.597 -5.363 1.00 44.44 C ATOM 1083 O LEU A 814 -42.744 61.892 -5.316 1.00 22.53 O ATOM 1084 CB LEU A 814 -40.687 59.952 -7.039 1.00 24.14 C ATOM 1085 CG LEU A 814 -41.912 59.277 -7.657 1.00 2.52 C ATOM 1086 CD1 LEU A 814 -41.942 59.501 -9.161 1.00 12.13 C ATOM 1087 CD2 LEU A 814 -41.920 57.790 -7.337 1.00 31.24 C ATOM 0 H LEU A 814 -38.739 61.436 -6.679 1.00 3.45 H new ATOM 0 HA LEU A 814 -41.437 61.920 -7.472 1.00 64.32 H new ATOM 0 HB2 LEU A 814 -39.849 59.839 -7.727 1.00 24.14 H new ATOM 0 HB3 LEU A 814 -40.425 59.417 -6.126 1.00 24.14 H new ATOM 0 HG LEU A 814 -42.807 59.725 -7.225 1.00 2.52 H new ATOM 0 HD11 LEU A 814 -42.820 59.014 -9.584 1.00 12.13 H new ATOM 0 HD12 LEU A 814 -41.985 60.570 -9.369 1.00 12.13 H new ATOM 0 HD13 LEU A 814 -41.042 59.080 -9.610 1.00 12.13 H new ATOM 0 HD21 LEU A 814 -42.799 57.326 -7.785 1.00 31.24 H new ATOM 0 HD22 LEU A 814 -41.020 57.326 -7.740 1.00 31.24 H new ATOM 0 HD23 LEU A 814 -41.947 57.651 -6.256 1.00 31.24 H new ATOM 1099 N LEU A 815 -40.808 61.405 -4.278 1.00 22.33 N ATOM 1100 CA LEU A 815 -41.368 61.531 -2.937 1.00 34.52 C ATOM 1101 C LEU A 815 -41.847 62.956 -2.678 1.00 60.42 C ATOM 1102 O LEU A 815 -42.984 63.173 -2.263 1.00 33.02 O ATOM 1103 CB LEU A 815 -40.328 61.131 -1.888 1.00 54.44 C ATOM 1104 CG LEU A 815 -39.835 59.685 -1.949 1.00 10.40 C ATOM 1105 CD1 LEU A 815 -38.464 59.562 -1.302 1.00 33.41 C ATOM 1106 CD2 LEU A 815 -40.831 58.753 -1.275 1.00 13.31 C ATOM 0 H LEU A 815 -39.818 61.161 -4.300 1.00 22.33 H new ATOM 0 HA LEU A 815 -42.225 60.861 -2.864 1.00 34.52 H new ATOM 0 HB2 LEU A 815 -39.467 61.792 -1.989 1.00 54.44 H new ATOM 0 HB3 LEU A 815 -40.752 61.308 -0.899 1.00 54.44 H new ATOM 0 HG LEU A 815 -39.748 59.394 -2.996 1.00 10.40 H new ATOM 0 HD11 LEU A 815 -38.129 58.526 -1.354 1.00 33.41 H new ATOM 0 HD12 LEU A 815 -37.755 60.200 -1.829 1.00 33.41 H new ATOM 0 HD13 LEU A 815 -38.525 59.871 -0.259 1.00 33.41 H new ATOM 0 HD21 LEU A 815 -40.464 57.728 -1.328 1.00 13.31 H new ATOM 0 HD22 LEU A 815 -40.951 59.042 -0.231 1.00 13.31 H new ATOM 0 HD23 LEU A 815 -41.793 58.820 -1.783 1.00 13.31 H new ATOM 1118 N ASN A 816 -40.971 63.923 -2.929 1.00 1.21 N ATOM 1119 CA ASN A 816 -41.305 65.328 -2.725 1.00 3.13 C ATOM 1120 C ASN A 816 -42.498 65.734 -3.584 1.00 50.23 C ATOM 1121 O ASN A 816 -43.523 66.182 -3.070 1.00 64.41 O ATOM 1122 CB ASN A 816 -40.101 66.213 -3.053 1.00 65.14 C ATOM 1123 CG ASN A 816 -39.766 67.174 -1.930 1.00 3.54 C ATOM 1124 OD1 ASN A 816 -39.098 66.808 -0.963 1.00 4.14 O ATOM 1125 ND2 ASN A 816 -40.230 68.413 -2.052 1.00 70.54 N ATOM 0 H ASN A 816 -40.025 63.760 -3.274 1.00 1.21 H new ATOM 0 HA ASN A 816 -41.572 65.464 -1.677 1.00 3.13 H new ATOM 0 HB2 ASN A 816 -39.236 65.583 -3.258 1.00 65.14 H new ATOM 0 HB3 ASN A 816 -40.306 66.778 -3.962 1.00 65.14 H new ATOM 0 HD21 ASN A 816 -40.036 69.104 -1.327 1.00 70.54 H new ATOM 0 HD22 ASN A 816 -40.780 68.673 -2.871 1.00 70.54 H new ATOM 1132 N ALA A 817 -42.357 65.574 -4.896 1.00 51.20 N ATOM 1133 CA ALA A 817 -43.424 65.921 -5.827 1.00 2.31 C ATOM 1134 C ALA A 817 -44.751 65.308 -5.394 1.00 71.44 C ATOM 1135 O ALA A 817 -45.794 65.962 -5.438 1.00 64.33 O ATOM 1136 CB ALA A 817 -43.064 65.468 -7.234 1.00 53.42 C ATOM 0 H ALA A 817 -41.514 65.206 -5.338 1.00 51.20 H new ATOM 0 HA ALA A 817 -43.537 67.005 -5.824 1.00 2.31 H new ATOM 0 HB1 ALA A 817 -43.869 65.733 -7.919 1.00 53.42 H new ATOM 0 HB2 ALA A 817 -42.143 65.958 -7.550 1.00 53.42 H new ATOM 0 HB3 ALA A 817 -42.921 64.387 -7.243 1.00 53.42 H new ATOM 1142 N THR A 818 -44.707 64.046 -4.977 1.00 4.20 N ATOM 1143 CA THR A 818 -45.906 63.343 -4.538 1.00 43.54 C ATOM 1144 C THR A 818 -46.516 64.010 -3.311 1.00 2.41 C ATOM 1145 O THR A 818 -47.735 64.138 -3.204 1.00 51.41 O ATOM 1146 CB THR A 818 -45.605 61.869 -4.211 1.00 25.20 C ATOM 1147 OG1 THR A 818 -45.227 61.170 -5.402 1.00 64.32 O ATOM 1148 CG2 THR A 818 -46.816 61.195 -3.584 1.00 51.24 C ATOM 0 H THR A 818 -43.853 63.490 -4.934 1.00 4.20 H new ATOM 0 HA THR A 818 -46.617 63.386 -5.363 1.00 43.54 H new ATOM 0 HB THR A 818 -44.782 61.839 -3.496 1.00 25.20 H new ATOM 0 HG1 THR A 818 -44.276 61.324 -5.584 1.00 64.32 H new ATOM 0 HG21 THR A 818 -46.579 60.155 -3.362 1.00 51.24 H new ATOM 0 HG22 THR A 818 -47.083 61.711 -2.662 1.00 51.24 H new ATOM 0 HG23 THR A 818 -47.655 61.236 -4.278 1.00 51.24 H new ATOM 1156 N ALA A 819 -45.660 64.434 -2.387 1.00 10.33 N ATOM 1157 CA ALA A 819 -46.115 65.091 -1.168 1.00 34.23 C ATOM 1158 C ALA A 819 -46.713 66.460 -1.472 1.00 53.21 C ATOM 1159 O ALA A 819 -47.647 66.903 -0.803 1.00 32.24 O ATOM 1160 CB ALA A 819 -44.967 65.222 -0.178 1.00 41.34 C ATOM 0 H ALA A 819 -44.647 64.334 -2.460 1.00 10.33 H new ATOM 0 HA ALA A 819 -46.895 64.474 -0.722 1.00 34.23 H new ATOM 0 HB1 ALA A 819 -45.322 65.714 0.727 1.00 41.34 H new ATOM 0 HB2 ALA A 819 -44.588 64.231 0.073 1.00 41.34 H new ATOM 0 HB3 ALA A 819 -44.168 65.814 -0.624 1.00 41.34 H new ATOM 1166 N ILE A 820 -46.169 67.126 -2.485 1.00 0.32 N ATOM 1167 CA ILE A 820 -46.650 68.445 -2.877 1.00 44.32 C ATOM 1168 C ILE A 820 -48.009 68.354 -3.561 1.00 75.20 C ATOM 1169 O ILE A 820 -48.851 69.240 -3.413 1.00 64.15 O ATOM 1170 CB ILE A 820 -45.658 69.147 -3.824 1.00 2.34 C ATOM 1171 CG1 ILE A 820 -44.318 69.370 -3.119 1.00 41.23 C ATOM 1172 CG2 ILE A 820 -46.234 70.469 -4.309 1.00 1.24 C ATOM 1173 CD1 ILE A 820 -44.429 70.196 -1.857 1.00 2.01 C ATOM 0 H ILE A 820 -45.395 66.774 -3.049 1.00 0.32 H new ATOM 0 HA ILE A 820 -46.745 69.031 -1.963 1.00 44.32 H new ATOM 0 HB ILE A 820 -45.490 68.507 -4.690 1.00 2.34 H new ATOM 0 HG12 ILE A 820 -43.881 68.402 -2.873 1.00 41.23 H new ATOM 0 HG13 ILE A 820 -43.632 69.864 -3.808 1.00 41.23 H new ATOM 0 HG21 ILE A 820 -45.522 70.953 -4.977 1.00 1.24 H new ATOM 0 HG22 ILE A 820 -47.166 70.286 -4.844 1.00 1.24 H new ATOM 0 HG23 ILE A 820 -46.428 71.117 -3.454 1.00 1.24 H new ATOM 0 HD11 ILE A 820 -43.441 70.313 -1.411 1.00 2.01 H new ATOM 0 HD12 ILE A 820 -44.837 71.177 -2.099 1.00 2.01 H new ATOM 0 HD13 ILE A 820 -45.089 69.693 -1.150 1.00 2.01 H new ATOM 1185 N ALA A 821 -48.219 67.275 -4.308 1.00 65.13 N ATOM 1186 CA ALA A 821 -49.478 67.065 -5.012 1.00 3.21 C ATOM 1187 C ALA A 821 -50.519 66.432 -4.096 1.00 34.40 C ATOM 1188 O ALA A 821 -51.722 66.595 -4.301 1.00 73.50 O ATOM 1189 CB ALA A 821 -49.257 66.198 -6.242 1.00 43.04 C ATOM 0 H ALA A 821 -47.533 66.532 -4.441 1.00 65.13 H new ATOM 0 HA ALA A 821 -49.855 68.037 -5.330 1.00 3.21 H new ATOM 0 HB1 ALA A 821 -50.206 66.050 -6.758 1.00 43.04 H new ATOM 0 HB2 ALA A 821 -48.553 66.690 -6.912 1.00 43.04 H new ATOM 0 HB3 ALA A 821 -48.854 65.232 -5.938 1.00 43.04 H new ATOM 1195 N VAL A 822 -50.050 65.708 -3.085 1.00 23.40 N ATOM 1196 CA VAL A 822 -50.941 65.049 -2.137 1.00 41.51 C ATOM 1197 C VAL A 822 -51.326 65.990 -1.001 1.00 2.03 C ATOM 1198 O VAL A 822 -52.385 65.843 -0.391 1.00 64.31 O ATOM 1199 CB VAL A 822 -50.294 63.784 -1.544 1.00 60.43 C ATOM 1200 CG1 VAL A 822 -49.425 64.138 -0.348 1.00 2.45 C ATOM 1201 CG2 VAL A 822 -51.362 62.772 -1.157 1.00 24.40 C ATOM 0 H VAL A 822 -49.057 65.563 -2.901 1.00 23.40 H new ATOM 0 HA VAL A 822 -51.837 64.764 -2.689 1.00 41.51 H new ATOM 0 HB VAL A 822 -49.656 63.333 -2.304 1.00 60.43 H new ATOM 0 HG11 VAL A 822 -48.977 63.231 0.057 1.00 2.45 H new ATOM 0 HG12 VAL A 822 -48.637 64.824 -0.661 1.00 2.45 H new ATOM 0 HG13 VAL A 822 -50.037 64.614 0.418 1.00 2.45 H new ATOM 0 HG21 VAL A 822 -50.888 61.884 -0.740 1.00 24.40 H new ATOM 0 HG22 VAL A 822 -52.027 63.211 -0.414 1.00 24.40 H new ATOM 0 HG23 VAL A 822 -51.938 62.495 -2.040 1.00 24.40 H new ATOM 1211 N ALA A 823 -50.459 66.958 -0.721 1.00 64.43 N ATOM 1212 CA ALA A 823 -50.709 67.924 0.340 1.00 3.44 C ATOM 1213 C ALA A 823 -51.915 68.799 0.014 1.00 62.41 C ATOM 1214 O ALA A 823 -52.574 69.322 0.911 1.00 2.24 O ATOM 1215 CB ALA A 823 -49.476 68.787 0.570 1.00 33.52 C ATOM 0 H ALA A 823 -49.577 67.093 -1.215 1.00 64.43 H new ATOM 0 HA ALA A 823 -50.929 67.373 1.254 1.00 3.44 H new ATOM 0 HB1 ALA A 823 -49.677 69.504 1.366 1.00 33.52 H new ATOM 0 HB2 ALA A 823 -48.637 68.153 0.857 1.00 33.52 H new ATOM 0 HB3 ALA A 823 -49.230 69.322 -0.347 1.00 33.52 H new ATOM 1243 N THR A 826 -56.923 65.701 0.768 1.00 10.54 N ATOM 1244 CA THR A 826 -57.180 65.200 2.112 1.00 32.33 C ATOM 1245 C THR A 826 -56.329 63.972 2.413 1.00 62.51 C ATOM 1246 O THR A 826 -56.155 63.594 3.572 1.00 62.54 O ATOM 1247 CB THR A 826 -58.666 64.840 2.303 1.00 63.53 C ATOM 1248 OG1 THR A 826 -59.489 65.746 1.561 1.00 43.44 O ATOM 1249 CG2 THR A 826 -59.050 64.886 3.774 1.00 44.40 C ATOM 0 HA THR A 826 -56.916 66.000 2.803 1.00 32.33 H new ATOM 0 HB THR A 826 -58.821 63.826 1.936 1.00 63.53 H new ATOM 0 HG1 THR A 826 -59.004 66.053 0.767 1.00 43.44 H new ATOM 0 HG21 THR A 826 -60.103 64.628 3.883 1.00 44.40 H new ATOM 0 HG22 THR A 826 -58.442 64.173 4.331 1.00 44.40 H new ATOM 0 HG23 THR A 826 -58.880 65.890 4.163 1.00 44.40 H new ATOM 1257 N ASP A 827 -55.800 63.353 1.363 1.00 22.11 N ATOM 1258 CA ASP A 827 -54.964 62.167 1.515 1.00 12.52 C ATOM 1259 C ASP A 827 -53.825 62.428 2.495 1.00 4.03 C ATOM 1260 O ASP A 827 -53.471 61.562 3.296 1.00 51.12 O ATOM 1261 CB ASP A 827 -54.400 61.738 0.160 1.00 22.11 C ATOM 1262 CG ASP A 827 -53.460 60.554 0.274 1.00 62.15 C ATOM 1263 OD1 ASP A 827 -53.843 59.448 -0.163 1.00 22.14 O ATOM 1264 OD2 ASP A 827 -52.341 60.733 0.798 1.00 42.45 O ATOM 0 H ASP A 827 -55.935 63.653 0.397 1.00 22.11 H new ATOM 0 HA ASP A 827 -55.584 61.363 1.912 1.00 12.52 H new ATOM 0 HB2 ASP A 827 -55.222 61.483 -0.508 1.00 22.11 H new ATOM 0 HB3 ASP A 827 -53.870 62.577 -0.292 1.00 22.11 H new ATOM 1269 N ARG A 828 -53.253 63.626 2.426 1.00 72.15 N ATOM 1270 CA ARG A 828 -52.152 63.999 3.305 1.00 50.50 C ATOM 1271 C ARG A 828 -52.601 64.012 4.763 1.00 31.23 C ATOM 1272 O ARG A 828 -51.986 63.375 5.619 1.00 73.44 O ATOM 1273 CB ARG A 828 -51.605 65.375 2.917 1.00 73.51 C ATOM 1274 CG ARG A 828 -50.152 65.585 3.310 1.00 52.30 C ATOM 1275 CD ARG A 828 -50.020 65.949 4.780 1.00 11.55 C ATOM 1276 NE ARG A 828 -48.796 66.699 5.051 1.00 54.42 N ATOM 1277 CZ ARG A 828 -48.612 67.962 4.683 1.00 12.52 C ATOM 1278 NH1 ARG A 828 -49.567 68.613 4.034 1.00 54.51 N ATOM 1279 NH2 ARG A 828 -47.471 68.577 4.966 1.00 43.24 N ATOM 0 H ARG A 828 -53.534 64.355 1.770 1.00 72.15 H new ATOM 0 HA ARG A 828 -51.362 63.256 3.192 1.00 50.50 H new ATOM 0 HB2 ARG A 828 -51.704 65.505 1.839 1.00 73.51 H new ATOM 0 HB3 ARG A 828 -52.215 66.145 3.388 1.00 73.51 H new ATOM 0 HG2 ARG A 828 -49.584 64.677 3.106 1.00 52.30 H new ATOM 0 HG3 ARG A 828 -49.719 66.376 2.698 1.00 52.30 H new ATOM 0 HD2 ARG A 828 -50.883 66.541 5.086 1.00 11.55 H new ATOM 0 HD3 ARG A 828 -50.028 65.040 5.381 1.00 11.55 H new ATOM 0 HE ARG A 828 -48.042 66.227 5.550 1.00 54.42 H new ATOM 0 HH11 ARG A 828 -50.446 68.144 3.816 1.00 54.51 H new ATOM 0 HH12 ARG A 828 -49.423 69.583 3.753 1.00 54.51 H new ATOM 0 HH21 ARG A 828 -46.734 68.080 5.467 1.00 43.24 H new ATOM 0 HH22 ARG A 828 -47.331 69.547 4.683 1.00 43.24 H new ATOM 1293 N VAL A 829 -53.677 64.742 5.040 1.00 60.03 N ATOM 1294 CA VAL A 829 -54.209 64.837 6.394 1.00 40.32 C ATOM 1295 C VAL A 829 -54.476 63.455 6.978 1.00 72.42 C ATOM 1296 O VAL A 829 -54.015 63.133 8.073 1.00 31.23 O ATOM 1297 CB VAL A 829 -55.512 65.658 6.428 1.00 31.34 C ATOM 1298 CG1 VAL A 829 -55.974 65.866 7.863 1.00 74.34 C ATOM 1299 CG2 VAL A 829 -55.320 66.992 5.723 1.00 73.54 C ATOM 0 H VAL A 829 -54.197 65.276 4.344 1.00 60.03 H new ATOM 0 HA VAL A 829 -53.454 65.342 6.996 1.00 40.32 H new ATOM 0 HB VAL A 829 -56.286 65.102 5.899 1.00 31.34 H new ATOM 0 HG11 VAL A 829 -56.896 66.448 7.868 1.00 74.34 H new ATOM 0 HG12 VAL A 829 -56.153 64.898 8.331 1.00 74.34 H new ATOM 0 HG13 VAL A 829 -55.204 66.401 8.419 1.00 74.34 H new ATOM 0 HG21 VAL A 829 -56.251 67.559 5.757 1.00 73.54 H new ATOM 0 HG22 VAL A 829 -54.533 67.557 6.222 1.00 73.54 H new ATOM 0 HG23 VAL A 829 -55.039 66.818 4.684 1.00 73.54 H new ATOM 1309 N ILE A 830 -55.223 62.641 6.239 1.00 30.23 N ATOM 1310 CA ILE A 830 -55.550 61.292 6.683 1.00 32.45 C ATOM 1311 C ILE A 830 -54.301 60.421 6.764 1.00 43.21 C ATOM 1312 O ILE A 830 -54.218 59.513 7.590 1.00 61.33 O ATOM 1313 CB ILE A 830 -56.570 60.621 5.744 1.00 44.24 C ATOM 1314 CG1 ILE A 830 -57.105 59.333 6.372 1.00 61.11 C ATOM 1315 CG2 ILE A 830 -55.934 60.333 4.392 1.00 41.23 C ATOM 1316 CD1 ILE A 830 -56.339 58.096 5.960 1.00 65.33 C ATOM 0 H ILE A 830 -55.613 62.892 5.331 1.00 30.23 H new ATOM 0 HA ILE A 830 -55.990 61.386 7.676 1.00 32.45 H new ATOM 0 HB ILE A 830 -57.407 61.303 5.593 1.00 44.24 H new ATOM 0 HG12 ILE A 830 -57.071 59.426 7.457 1.00 61.11 H new ATOM 0 HG13 ILE A 830 -58.152 59.211 6.095 1.00 61.11 H new ATOM 0 HG21 ILE A 830 -56.667 59.859 3.739 1.00 41.23 H new ATOM 0 HG22 ILE A 830 -55.597 61.267 3.942 1.00 41.23 H new ATOM 0 HG23 ILE A 830 -55.082 59.667 4.525 1.00 41.23 H new ATOM 0 HD11 ILE A 830 -56.774 57.221 6.443 1.00 65.33 H new ATOM 0 HD12 ILE A 830 -56.394 57.978 4.878 1.00 65.33 H new ATOM 0 HD13 ILE A 830 -55.296 58.196 6.262 1.00 65.33 H new ATOM 1328 N GLU A 831 -53.330 60.707 5.901 1.00 13.14 N ATOM 1329 CA GLU A 831 -52.084 59.950 5.876 1.00 12.32 C ATOM 1330 C GLU A 831 -51.311 60.131 7.180 1.00 75.14 C ATOM 1331 O GLU A 831 -50.786 59.170 7.741 1.00 31.43 O ATOM 1332 CB GLU A 831 -51.219 60.389 4.693 1.00 71.13 C ATOM 1333 CG GLU A 831 -49.847 59.737 4.667 1.00 21.12 C ATOM 1334 CD GLU A 831 -49.272 59.642 3.267 1.00 33.41 C ATOM 1335 OE1 GLU A 831 -48.666 58.598 2.945 1.00 11.11 O ATOM 1336 OE2 GLU A 831 -49.428 60.610 2.494 1.00 32.40 O ATOM 0 H GLU A 831 -53.383 61.456 5.211 1.00 13.14 H new ATOM 0 HA GLU A 831 -52.332 58.894 5.764 1.00 12.32 H new ATOM 0 HB2 GLU A 831 -51.741 60.154 3.765 1.00 71.13 H new ATOM 0 HB3 GLU A 831 -51.097 61.472 4.725 1.00 71.13 H new ATOM 0 HG2 GLU A 831 -49.166 60.308 5.297 1.00 21.12 H new ATOM 0 HG3 GLU A 831 -49.916 58.737 5.096 1.00 21.12 H new ATOM 1343 N VAL A 832 -51.246 61.371 7.655 1.00 32.51 N ATOM 1344 CA VAL A 832 -50.539 61.678 8.892 1.00 4.52 C ATOM 1345 C VAL A 832 -51.335 61.221 10.109 1.00 0.22 C ATOM 1346 O VAL A 832 -50.769 60.726 11.085 1.00 52.20 O ATOM 1347 CB VAL A 832 -50.255 63.187 9.016 1.00 45.34 C ATOM 1348 CG1 VAL A 832 -49.530 63.490 10.318 1.00 20.44 C ATOM 1349 CG2 VAL A 832 -49.449 63.677 7.822 1.00 63.42 C ATOM 0 H VAL A 832 -51.674 62.178 7.202 1.00 32.51 H new ATOM 0 HA VAL A 832 -49.593 61.138 8.857 1.00 4.52 H new ATOM 0 HB VAL A 832 -51.207 63.718 9.026 1.00 45.34 H new ATOM 0 HG11 VAL A 832 -49.338 64.561 10.387 1.00 20.44 H new ATOM 0 HG12 VAL A 832 -50.148 63.177 11.160 1.00 20.44 H new ATOM 0 HG13 VAL A 832 -48.584 62.950 10.342 1.00 20.44 H new ATOM 0 HG21 VAL A 832 -49.257 64.745 7.926 1.00 63.42 H new ATOM 0 HG22 VAL A 832 -48.501 63.141 7.778 1.00 63.42 H new ATOM 0 HG23 VAL A 832 -50.010 63.497 6.905 1.00 63.42 H new ATOM 1359 N LEU A 833 -52.651 61.389 10.045 1.00 11.52 N ATOM 1360 CA LEU A 833 -53.527 60.993 11.142 1.00 13.43 C ATOM 1361 C LEU A 833 -53.414 59.497 11.417 1.00 41.23 C ATOM 1362 O LEU A 833 -53.276 59.076 12.565 1.00 51.51 O ATOM 1363 CB LEU A 833 -54.978 61.356 10.819 1.00 62.31 C ATOM 1364 CG LEU A 833 -55.892 61.599 12.020 1.00 55.32 C ATOM 1365 CD1 LEU A 833 -55.357 62.736 12.876 1.00 13.25 C ATOM 1366 CD2 LEU A 833 -57.311 61.900 11.558 1.00 61.54 C ATOM 0 H LEU A 833 -53.135 61.797 9.245 1.00 11.52 H new ATOM 0 HA LEU A 833 -53.214 61.532 12.036 1.00 13.43 H new ATOM 0 HB2 LEU A 833 -54.978 62.253 10.200 1.00 62.31 H new ATOM 0 HB3 LEU A 833 -55.407 60.554 10.218 1.00 62.31 H new ATOM 0 HG LEU A 833 -55.912 60.693 12.626 1.00 55.32 H new ATOM 0 HD11 LEU A 833 -56.020 62.895 13.726 1.00 13.25 H new ATOM 0 HD12 LEU A 833 -54.360 62.482 13.236 1.00 13.25 H new ATOM 0 HD13 LEU A 833 -55.306 63.647 12.280 1.00 13.25 H new ATOM 0 HD21 LEU A 833 -57.948 62.070 12.426 1.00 61.54 H new ATOM 0 HD22 LEU A 833 -57.308 62.791 10.930 1.00 61.54 H new ATOM 0 HD23 LEU A 833 -57.695 61.055 10.987 1.00 61.54 H new ATOM 1378 N GLN A 834 -53.471 58.700 10.355 1.00 41.13 N ATOM 1379 CA GLN A 834 -53.373 57.251 10.482 1.00 70.21 C ATOM 1380 C GLN A 834 -51.942 56.828 10.799 1.00 75.54 C ATOM 1381 O GLN A 834 -51.705 56.050 11.722 1.00 10.15 O ATOM 1382 CB GLN A 834 -53.845 56.572 9.195 1.00 34.32 C ATOM 1383 CG GLN A 834 -55.315 56.810 8.886 1.00 64.32 C ATOM 1384 CD GLN A 834 -56.188 56.757 10.124 1.00 43.50 C ATOM 1385 OE1 GLN A 834 -56.068 55.847 10.944 1.00 32.30 O ATOM 1386 NE2 GLN A 834 -57.073 57.737 10.266 1.00 3.24 N ATOM 0 H GLN A 834 -53.584 59.033 9.398 1.00 41.13 H new ATOM 0 HA GLN A 834 -54.016 56.939 11.305 1.00 70.21 H new ATOM 0 HB2 GLN A 834 -53.244 56.934 8.361 1.00 34.32 H new ATOM 0 HB3 GLN A 834 -53.668 55.499 9.274 1.00 34.32 H new ATOM 0 HG2 GLN A 834 -55.429 57.783 8.407 1.00 64.32 H new ATOM 0 HG3 GLN A 834 -55.658 56.061 8.172 1.00 64.32 H new ATOM 0 HE21 GLN A 834 -57.138 58.471 9.561 1.00 3.24 H new ATOM 0 HE22 GLN A 834 -57.688 57.755 11.080 1.00 3.24 H new ATOM 1395 N ALA A 835 -50.993 57.344 10.025 1.00 1.15 N ATOM 1396 CA ALA A 835 -49.586 57.021 10.225 1.00 64.12 C ATOM 1397 C ALA A 835 -49.146 57.339 11.650 1.00 43.53 C ATOM 1398 O ALA A 835 -48.430 56.560 12.277 1.00 21.43 O ATOM 1399 CB ALA A 835 -48.724 57.775 9.223 1.00 2.32 C ATOM 0 H ALA A 835 -51.173 57.987 9.254 1.00 1.15 H new ATOM 0 HA ALA A 835 -49.458 55.950 10.065 1.00 64.12 H new ATOM 0 HB1 ALA A 835 -47.675 57.524 9.384 1.00 2.32 H new ATOM 0 HB2 ALA A 835 -49.013 57.494 8.210 1.00 2.32 H new ATOM 0 HB3 ALA A 835 -48.865 58.848 9.356 1.00 2.32 H new ATOM 1405 N ALA A 836 -49.578 58.491 12.154 1.00 20.52 N ATOM 1406 CA ALA A 836 -49.229 58.911 13.506 1.00 55.15 C ATOM 1407 C ALA A 836 -49.970 58.080 14.547 1.00 31.35 C ATOM 1408 O ALA A 836 -49.354 57.476 15.426 1.00 12.13 O ATOM 1409 CB ALA A 836 -49.535 60.390 13.693 1.00 22.23 C ATOM 0 H ALA A 836 -50.170 59.149 11.647 1.00 20.52 H new ATOM 0 HA ALA A 836 -48.160 58.751 13.646 1.00 55.15 H new ATOM 0 HB1 ALA A 836 -49.270 60.691 14.707 1.00 22.23 H new ATOM 0 HB2 ALA A 836 -48.956 60.975 12.978 1.00 22.23 H new ATOM 0 HB3 ALA A 836 -50.598 60.565 13.529 1.00 22.23 H new ATOM 1415 N TYR A 837 -51.294 58.053 14.444 1.00 51.10 N ATOM 1416 CA TYR A 837 -52.119 57.298 15.380 1.00 42.03 C ATOM 1417 C TYR A 837 -51.639 55.854 15.486 1.00 21.21 C ATOM 1418 O TYR A 837 -51.530 55.303 16.582 1.00 54.11 O ATOM 1419 CB TYR A 837 -53.584 57.329 14.941 1.00 42.31 C ATOM 1420 CG TYR A 837 -54.547 56.873 16.013 1.00 20.13 C ATOM 1421 CD1 TYR A 837 -55.562 55.970 15.724 1.00 33.44 C ATOM 1422 CD2 TYR A 837 -54.441 57.344 17.316 1.00 2.41 C ATOM 1423 CE1 TYR A 837 -56.445 55.551 16.701 1.00 21.30 C ATOM 1424 CE2 TYR A 837 -55.318 56.930 18.300 1.00 70.35 C ATOM 1425 CZ TYR A 837 -56.319 56.033 17.987 1.00 44.30 C ATOM 1426 OH TYR A 837 -57.195 55.617 18.963 1.00 41.20 O ATOM 0 H TYR A 837 -51.819 58.545 13.721 1.00 51.10 H new ATOM 0 HA TYR A 837 -52.031 57.765 16.361 1.00 42.03 H new ATOM 0 HB2 TYR A 837 -53.843 58.344 14.640 1.00 42.31 H new ATOM 0 HB3 TYR A 837 -53.705 56.695 14.062 1.00 42.31 H new ATOM 0 HD1 TYR A 837 -55.663 55.589 14.719 1.00 33.44 H new ATOM 0 HD2 TYR A 837 -53.659 58.046 17.564 1.00 2.41 H new ATOM 0 HE1 TYR A 837 -57.230 54.850 16.459 1.00 21.30 H new ATOM 0 HE2 TYR A 837 -55.221 57.306 19.308 1.00 70.35 H new ATOM 0 HH TYR A 837 -56.968 56.050 19.812 1.00 41.20 H new ATOM 1436 N ARG A 838 -51.352 55.246 14.339 1.00 12.43 N ATOM 1437 CA ARG A 838 -50.884 53.866 14.302 1.00 52.21 C ATOM 1438 C ARG A 838 -49.464 53.759 14.849 1.00 20.45 C ATOM 1439 O ARG A 838 -49.154 52.855 15.625 1.00 61.21 O ATOM 1440 CB ARG A 838 -50.933 53.327 12.871 1.00 44.41 C ATOM 1441 CG ARG A 838 -52.344 53.111 12.349 1.00 23.42 C ATOM 1442 CD ARG A 838 -52.337 52.427 10.991 1.00 25.41 C ATOM 1443 NE ARG A 838 -53.589 51.724 10.726 1.00 61.33 N ATOM 1444 CZ ARG A 838 -53.882 50.530 11.228 1.00 33.34 C ATOM 1445 NH1 ARG A 838 -53.018 49.909 12.019 1.00 62.10 N ATOM 1446 NH2 ARG A 838 -55.043 49.954 10.941 1.00 41.43 N ATOM 0 H ARG A 838 -51.436 55.688 13.423 1.00 12.43 H new ATOM 0 HA ARG A 838 -51.543 53.268 14.931 1.00 52.21 H new ATOM 0 HB2 ARG A 838 -50.413 54.023 12.212 1.00 44.41 H new ATOM 0 HB3 ARG A 838 -50.391 52.382 12.829 1.00 44.41 H new ATOM 0 HG2 ARG A 838 -52.907 52.506 13.059 1.00 23.42 H new ATOM 0 HG3 ARG A 838 -52.855 54.070 12.272 1.00 23.42 H new ATOM 0 HD2 ARG A 838 -52.166 53.170 10.212 1.00 25.41 H new ATOM 0 HD3 ARG A 838 -51.508 51.721 10.945 1.00 25.41 H new ATOM 0 HE ARG A 838 -54.276 52.175 10.122 1.00 61.33 H new ATOM 0 HH11 ARG A 838 -52.125 50.348 12.244 1.00 62.10 H new ATOM 0 HH12 ARG A 838 -53.246 48.992 12.403 1.00 62.10 H new ATOM 0 HH21 ARG A 838 -55.711 50.429 10.334 1.00 41.43 H new ATOM 0 HH22 ARG A 838 -55.267 49.037 11.327 1.00 41.43 H new ATOM 1460 N ALA A 839 -48.606 54.687 14.440 1.00 65.22 N ATOM 1461 CA ALA A 839 -47.219 54.697 14.890 1.00 13.21 C ATOM 1462 C ALA A 839 -47.136 54.673 16.413 1.00 55.44 C ATOM 1463 O ALA A 839 -46.302 53.973 16.987 1.00 34.02 O ATOM 1464 CB ALA A 839 -46.495 55.916 14.339 1.00 5.32 C ATOM 0 H ALA A 839 -48.846 55.442 13.798 1.00 65.22 H new ATOM 0 HA ALA A 839 -46.733 53.798 14.512 1.00 13.21 H new ATOM 0 HB1 ALA A 839 -45.461 55.911 14.683 1.00 5.32 H new ATOM 0 HB2 ALA A 839 -46.516 55.890 13.250 1.00 5.32 H new ATOM 0 HB3 ALA A 839 -46.989 56.822 14.689 1.00 5.32 H new ATOM 1470 N ILE A 840 -48.005 55.443 17.060 1.00 72.32 N ATOM 1471 CA ILE A 840 -48.030 55.509 18.516 1.00 64.23 C ATOM 1472 C ILE A 840 -48.828 54.351 19.105 1.00 12.22 C ATOM 1473 O ILE A 840 -48.523 53.863 20.193 1.00 5.55 O ATOM 1474 CB ILE A 840 -48.633 56.837 19.009 1.00 45.41 C ATOM 1475 CG1 ILE A 840 -48.509 56.945 20.530 1.00 3.31 C ATOM 1476 CG2 ILE A 840 -50.088 56.950 18.581 1.00 33.53 C ATOM 1477 CD1 ILE A 840 -49.065 58.235 21.092 1.00 72.12 C ATOM 0 H ILE A 840 -48.701 56.029 16.599 1.00 72.32 H new ATOM 0 HA ILE A 840 -46.995 55.442 18.853 1.00 64.23 H new ATOM 0 HB ILE A 840 -48.078 57.660 18.559 1.00 45.41 H new ATOM 0 HG12 ILE A 840 -49.029 56.104 20.989 1.00 3.31 H new ATOM 0 HG13 ILE A 840 -47.458 56.860 20.808 1.00 3.31 H new ATOM 0 HG21 ILE A 840 -50.500 57.894 18.937 1.00 33.53 H new ATOM 0 HG22 ILE A 840 -50.151 56.914 17.493 1.00 33.53 H new ATOM 0 HG23 ILE A 840 -50.657 56.123 19.005 1.00 33.53 H new ATOM 0 HD11 ILE A 840 -48.943 58.242 22.175 1.00 72.12 H new ATOM 0 HD12 ILE A 840 -48.529 59.081 20.661 1.00 72.12 H new ATOM 0 HD13 ILE A 840 -50.124 58.313 20.845 1.00 72.12 H new ATOM 1489 N ARG A 841 -49.852 53.915 18.378 1.00 2.04 N ATOM 1490 CA ARG A 841 -50.694 52.814 18.829 1.00 74.10 C ATOM 1491 C ARG A 841 -49.916 51.501 18.836 1.00 11.40 C ATOM 1492 O ARG A 841 -50.212 50.596 19.617 1.00 50.14 O ATOM 1493 CB ARG A 841 -51.925 52.684 17.930 1.00 52.43 C ATOM 1494 CG ARG A 841 -53.123 53.482 18.418 1.00 10.52 C ATOM 1495 CD ARG A 841 -54.340 53.258 17.534 1.00 42.40 C ATOM 1496 NE ARG A 841 -54.578 51.840 17.280 1.00 42.14 N ATOM 1497 CZ ARG A 841 -55.311 51.388 16.269 1.00 72.23 C ATOM 1498 NH1 ARG A 841 -55.875 52.238 15.422 1.00 62.03 N ATOM 1499 NH2 ARG A 841 -55.482 50.082 16.103 1.00 3.31 N ATOM 0 H ARG A 841 -50.118 54.307 17.475 1.00 2.04 H new ATOM 0 HA ARG A 841 -51.017 53.031 19.847 1.00 74.10 H new ATOM 0 HB2 ARG A 841 -51.666 53.013 16.924 1.00 52.43 H new ATOM 0 HB3 ARG A 841 -52.204 51.633 17.860 1.00 52.43 H new ATOM 0 HG2 ARG A 841 -53.359 53.196 19.443 1.00 10.52 H new ATOM 0 HG3 ARG A 841 -52.873 54.543 18.433 1.00 10.52 H new ATOM 0 HD2 ARG A 841 -55.219 53.694 18.010 1.00 42.40 H new ATOM 0 HD3 ARG A 841 -54.200 53.778 16.586 1.00 42.40 H new ATOM 0 HE ARG A 841 -54.158 51.160 17.914 1.00 42.14 H new ATOM 0 HH11 ARG A 841 -55.746 53.242 15.546 1.00 62.03 H new ATOM 0 HH12 ARG A 841 -56.437 51.888 14.647 1.00 62.03 H new ATOM 0 HH21 ARG A 841 -55.050 49.425 16.752 1.00 3.31 H new ATOM 0 HH22 ARG A 841 -56.045 49.736 15.326 1.00 3.31 H new ATOM 1513 N HIS A 842 -48.920 51.405 17.961 1.00 0.31 N ATOM 1514 CA HIS A 842 -48.099 50.204 17.866 1.00 22.45 C ATOM 1515 C HIS A 842 -46.746 50.416 18.539 1.00 62.21 C ATOM 1516 O HIS A 842 -46.160 49.480 19.085 1.00 41.41 O ATOM 1517 CB HIS A 842 -47.898 49.812 16.402 1.00 22.43 C ATOM 1518 CG HIS A 842 -49.162 49.829 15.599 1.00 45.54 C ATOM 1519 ND1 HIS A 842 -50.387 49.464 16.115 1.00 41.23 N ATOM 1520 CD2 HIS A 842 -49.386 50.173 14.309 1.00 44.42 C ATOM 1521 CE1 HIS A 842 -51.310 49.581 15.177 1.00 62.13 C ATOM 1522 NE2 HIS A 842 -50.728 50.010 14.071 1.00 12.22 N ATOM 0 H HIS A 842 -48.662 52.145 17.308 1.00 0.31 H new ATOM 0 HA HIS A 842 -48.619 49.397 18.382 1.00 22.45 H new ATOM 0 HB2 HIS A 842 -47.179 50.494 15.947 1.00 22.43 H new ATOM 0 HB3 HIS A 842 -47.463 48.814 16.358 1.00 22.43 H new ATOM 0 HD1 HIS A 842 -50.555 49.152 17.072 1.00 41.23 H new ATOM 0 HD2 HIS A 842 -48.646 50.513 13.599 1.00 44.42 H new ATOM 0 HE1 HIS A 842 -52.361 49.363 15.294 1.00 62.13 H new ATOM 1630 N ARG A 848 -43.226 63.862 19.422 1.00 64.24 N ATOM 1631 CA ARG A 848 -42.743 64.993 18.639 1.00 1.42 C ATOM 1632 C ARG A 848 -41.933 64.517 17.437 1.00 41.11 C ATOM 1633 O ARG A 848 -41.986 65.118 16.364 1.00 21.13 O ATOM 1634 CB ARG A 848 -41.888 65.916 19.511 1.00 71.55 C ATOM 1635 CG ARG A 848 -41.398 67.158 18.785 1.00 73.24 C ATOM 1636 CD ARG A 848 -42.531 68.143 18.541 1.00 45.31 C ATOM 1637 NE ARG A 848 -42.770 68.999 19.700 1.00 52.12 N ATOM 1638 CZ ARG A 848 -43.895 69.680 19.890 1.00 5.44 C ATOM 1639 NH1 ARG A 848 -44.877 69.606 19.003 1.00 32.24 N ATOM 1640 NH2 ARG A 848 -44.038 70.438 20.970 1.00 22.13 N ATOM 0 HA ARG A 848 -43.609 65.547 18.275 1.00 1.42 H new ATOM 0 HB2 ARG A 848 -42.469 66.220 20.382 1.00 71.55 H new ATOM 0 HB3 ARG A 848 -41.028 65.358 19.881 1.00 71.55 H new ATOM 0 HG2 ARG A 848 -40.616 67.639 19.372 1.00 73.24 H new ATOM 0 HG3 ARG A 848 -40.951 66.872 17.833 1.00 73.24 H new ATOM 0 HD2 ARG A 848 -42.293 68.762 17.676 1.00 45.31 H new ATOM 0 HD3 ARG A 848 -43.442 67.595 18.301 1.00 45.31 H new ATOM 0 HE ARG A 848 -42.034 69.078 20.401 1.00 52.12 H new ATOM 0 HH11 ARG A 848 -44.770 69.025 18.171 1.00 32.24 H new ATOM 0 HH12 ARG A 848 -45.739 70.130 19.152 1.00 32.24 H new ATOM 0 HH21 ARG A 848 -43.284 70.498 21.654 1.00 22.13 H new ATOM 0 HH22 ARG A 848 -44.902 70.961 21.116 1.00 22.13 H new ATOM 1654 N GLN A 849 -41.185 63.435 17.625 1.00 25.03 N ATOM 1655 CA GLN A 849 -40.363 62.880 16.556 1.00 21.44 C ATOM 1656 C GLN A 849 -41.190 62.653 15.296 1.00 74.44 C ATOM 1657 O GLN A 849 -40.786 63.035 14.198 1.00 14.45 O ATOM 1658 CB GLN A 849 -39.725 61.564 17.006 1.00 72.21 C ATOM 1659 CG GLN A 849 -38.616 61.080 16.086 1.00 71.22 C ATOM 1660 CD GLN A 849 -39.137 60.246 14.932 1.00 32.21 C ATOM 1661 OE1 GLN A 849 -40.262 59.745 14.971 1.00 5.10 O ATOM 1662 NE2 GLN A 849 -38.321 60.092 13.896 1.00 2.12 N ATOM 0 H GLN A 849 -41.131 62.925 18.507 1.00 25.03 H new ATOM 0 HA GLN A 849 -39.575 63.598 16.327 1.00 21.44 H new ATOM 0 HB2 GLN A 849 -39.323 61.690 18.011 1.00 72.21 H new ATOM 0 HB3 GLN A 849 -40.497 60.797 17.065 1.00 72.21 H new ATOM 0 HG2 GLN A 849 -38.075 61.940 15.692 1.00 71.22 H new ATOM 0 HG3 GLN A 849 -37.903 60.491 16.662 1.00 71.22 H new ATOM 0 HE21 GLN A 849 -37.397 60.525 13.906 1.00 2.12 H new ATOM 0 HE22 GLN A 849 -38.618 59.541 13.091 1.00 2.12 H new ATOM 1671 N GLY A 850 -42.352 62.026 15.460 1.00 2.54 N ATOM 1672 CA GLY A 850 -43.218 61.759 14.327 1.00 63.20 C ATOM 1673 C GLY A 850 -43.849 63.019 13.769 1.00 11.04 C ATOM 1674 O GLY A 850 -43.783 63.276 12.567 1.00 62.25 O ATOM 0 H GLY A 850 -42.708 61.698 16.358 1.00 2.54 H new ATOM 0 HA2 GLY A 850 -42.643 61.266 13.543 1.00 63.20 H new ATOM 0 HA3 GLY A 850 -44.003 61.066 14.629 1.00 63.20 H new ATOM 1678 N LEU A 851 -44.465 63.807 14.644 1.00 43.01 N ATOM 1679 CA LEU A 851 -45.113 65.047 14.232 1.00 2.51 C ATOM 1680 C LEU A 851 -44.120 65.978 13.542 1.00 20.43 C ATOM 1681 O LEU A 851 -44.509 66.849 12.765 1.00 22.13 O ATOM 1682 CB LEU A 851 -45.730 65.749 15.443 1.00 55.53 C ATOM 1683 CG LEU A 851 -47.117 65.262 15.866 1.00 43.30 C ATOM 1684 CD1 LEU A 851 -48.125 65.486 14.750 1.00 61.55 C ATOM 1685 CD2 LEU A 851 -47.069 63.793 16.258 1.00 62.31 C ATOM 0 H LEU A 851 -44.529 63.609 15.643 1.00 43.01 H new ATOM 0 HA LEU A 851 -45.902 64.797 13.522 1.00 2.51 H new ATOM 0 HB2 LEU A 851 -45.053 65.633 16.289 1.00 55.53 H new ATOM 0 HB3 LEU A 851 -45.791 66.816 15.227 1.00 55.53 H new ATOM 0 HG LEU A 851 -47.435 65.839 16.735 1.00 43.30 H new ATOM 0 HD11 LEU A 851 -49.106 65.133 15.069 1.00 61.55 H new ATOM 0 HD12 LEU A 851 -48.180 66.549 14.517 1.00 61.55 H new ATOM 0 HD13 LEU A 851 -47.813 64.936 13.862 1.00 61.55 H new ATOM 0 HD21 LEU A 851 -48.064 63.463 16.556 1.00 62.31 H new ATOM 0 HD22 LEU A 851 -46.730 63.201 15.408 1.00 62.31 H new ATOM 0 HD23 LEU A 851 -46.378 63.661 17.091 1.00 62.31 H new ATOM 1697 N GLU A 852 -42.837 65.784 13.831 1.00 42.21 N ATOM 1698 CA GLU A 852 -41.789 66.606 13.237 1.00 63.43 C ATOM 1699 C GLU A 852 -41.269 65.976 11.948 1.00 71.25 C ATOM 1700 O GLU A 852 -41.163 66.642 10.918 1.00 40.03 O ATOM 1701 CB GLU A 852 -40.636 66.795 14.225 1.00 32.13 C ATOM 1702 CG GLU A 852 -40.944 67.785 15.336 1.00 4.01 C ATOM 1703 CD GLU A 852 -41.215 69.182 14.813 1.00 2.45 C ATOM 1704 OE1 GLU A 852 -42.325 69.700 15.055 1.00 12.45 O ATOM 1705 OE2 GLU A 852 -40.318 69.758 14.163 1.00 63.43 O ATOM 0 H GLU A 852 -42.499 65.066 14.472 1.00 42.21 H new ATOM 0 HA GLU A 852 -42.218 67.580 12.999 1.00 63.43 H new ATOM 0 HB2 GLU A 852 -40.386 65.831 14.668 1.00 32.13 H new ATOM 0 HB3 GLU A 852 -39.754 67.134 13.681 1.00 32.13 H new ATOM 0 HG2 GLU A 852 -41.811 67.437 15.898 1.00 4.01 H new ATOM 0 HG3 GLU A 852 -40.105 67.818 16.031 1.00 4.01 H new ATOM 1712 N ARG A 853 -40.946 64.688 12.013 1.00 13.32 N ATOM 1713 CA ARG A 853 -40.436 63.968 10.853 1.00 51.44 C ATOM 1714 C ARG A 853 -41.446 63.996 9.709 1.00 44.03 C ATOM 1715 O ARG A 853 -41.076 63.891 8.539 1.00 62.31 O ATOM 1716 CB ARG A 853 -40.112 62.521 11.226 1.00 64.22 C ATOM 1717 CG ARG A 853 -41.309 61.588 11.145 1.00 61.14 C ATOM 1718 CD ARG A 853 -40.957 60.188 11.622 1.00 35.35 C ATOM 1719 NE ARG A 853 -40.199 59.442 10.622 1.00 41.13 N ATOM 1720 CZ ARG A 853 -40.745 58.899 9.539 1.00 14.25 C ATOM 1721 NH1 ARG A 853 -42.047 59.019 9.319 1.00 33.42 N ATOM 1722 NH2 ARG A 853 -39.989 58.236 8.675 1.00 61.54 N ATOM 0 H ARG A 853 -41.029 64.122 12.857 1.00 13.32 H new ATOM 0 HA ARG A 853 -39.523 64.463 10.522 1.00 51.44 H new ATOM 0 HB2 ARG A 853 -39.328 62.151 10.565 1.00 64.22 H new ATOM 0 HB3 ARG A 853 -39.711 62.497 12.239 1.00 64.22 H new ATOM 0 HG2 ARG A 853 -42.123 61.986 11.750 1.00 61.14 H new ATOM 0 HG3 ARG A 853 -41.668 61.544 10.117 1.00 61.14 H new ATOM 0 HD2 ARG A 853 -40.376 60.254 12.542 1.00 35.35 H new ATOM 0 HD3 ARG A 853 -41.872 59.646 11.861 1.00 35.35 H new ATOM 0 HE ARG A 853 -39.195 59.331 10.762 1.00 41.13 H new ATOM 0 HH11 ARG A 853 -42.631 59.529 9.982 1.00 33.42 H new ATOM 0 HH12 ARG A 853 -42.464 58.602 8.487 1.00 33.42 H new ATOM 0 HH21 ARG A 853 -38.987 58.142 8.841 1.00 61.54 H new ATOM 0 HH22 ARG A 853 -40.409 57.820 7.844 1.00 61.54 H new ATOM 1736 N ILE A 854 -42.721 64.138 10.055 1.00 25.30 N ATOM 1737 CA ILE A 854 -43.782 64.180 9.057 1.00 35.45 C ATOM 1738 C ILE A 854 -44.050 65.609 8.599 1.00 42.12 C ATOM 1739 O ILE A 854 -44.544 65.836 7.494 1.00 51.13 O ATOM 1740 CB ILE A 854 -45.090 63.574 9.601 1.00 21.12 C ATOM 1741 CG1 ILE A 854 -45.664 64.457 10.711 1.00 52.44 C ATOM 1742 CG2 ILE A 854 -44.847 62.162 10.113 1.00 3.15 C ATOM 1743 CD1 ILE A 854 -46.712 65.434 10.224 1.00 43.12 C ATOM 0 H ILE A 854 -43.044 64.226 11.019 1.00 25.30 H new ATOM 0 HA ILE A 854 -43.441 63.587 8.208 1.00 35.45 H new ATOM 0 HB ILE A 854 -45.816 63.525 8.789 1.00 21.12 H new ATOM 0 HG12 ILE A 854 -46.101 63.821 11.481 1.00 52.44 H new ATOM 0 HG13 ILE A 854 -44.851 65.012 11.180 1.00 52.44 H new ATOM 0 HG21 ILE A 854 -45.780 61.747 10.494 1.00 3.15 H new ATOM 0 HG22 ILE A 854 -44.479 61.538 9.299 1.00 3.15 H new ATOM 0 HG23 ILE A 854 -44.108 62.187 10.914 1.00 3.15 H new ATOM 0 HD11 ILE A 854 -47.075 66.027 11.064 1.00 43.12 H new ATOM 0 HD12 ILE A 854 -46.274 66.095 9.476 1.00 43.12 H new ATOM 0 HD13 ILE A 854 -47.543 64.885 9.781 1.00 43.12 H new ATOM 1755 N LEU A 855 -43.719 66.570 9.454 1.00 45.43 N ATOM 1756 CA LEU A 855 -43.921 67.980 9.136 1.00 23.21 C ATOM 1757 C LEU A 855 -43.107 68.384 7.911 1.00 53.12 C ATOM 1758 O LEU A 855 -43.604 69.080 7.024 1.00 13.13 O ATOM 1759 CB LEU A 855 -43.533 68.853 10.331 1.00 63.13 C ATOM 1760 CG LEU A 855 -44.439 70.053 10.608 1.00 73.41 C ATOM 1761 CD1 LEU A 855 -43.887 70.885 11.755 1.00 53.24 C ATOM 1762 CD2 LEU A 855 -44.596 70.903 9.356 1.00 50.21 C ATOM 0 H LEU A 855 -43.310 66.399 10.373 1.00 45.43 H new ATOM 0 HA LEU A 855 -44.977 68.129 8.913 1.00 23.21 H new ATOM 0 HB2 LEU A 855 -43.512 68.226 11.222 1.00 63.13 H new ATOM 0 HB3 LEU A 855 -42.518 69.218 10.174 1.00 63.13 H new ATOM 0 HG LEU A 855 -45.423 69.683 10.896 1.00 73.41 H new ATOM 0 HD11 LEU A 855 -44.545 71.735 11.938 1.00 53.24 H new ATOM 0 HD12 LEU A 855 -43.828 70.272 12.654 1.00 53.24 H new ATOM 0 HD13 LEU A 855 -42.892 71.246 11.496 1.00 53.24 H new ATOM 0 HD21 LEU A 855 -45.244 71.752 9.572 1.00 50.21 H new ATOM 0 HD22 LEU A 855 -43.618 71.264 9.037 1.00 50.21 H new ATOM 0 HD23 LEU A 855 -45.038 70.302 8.561 1.00 50.21 H new