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 180:sc= 0 USER MOD Single : A 769 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 779 THR OG1 : rot 72:sc= 1.25 USER MOD Single : A 801 GLN : amide:sc= -0.705 K(o=-0.7,f=-2.7!) 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= -1.02 K(o=-1,f=-6!) 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=-0.42) USER MOD Single : A 810 SER OG : rot 180:sc= 0 USER MOD Single : A 813 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 816 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 818 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 826 THR OG1 : rot -19:sc= 0.272! USER MOD Single : A 834 GLN : amide:sc= -1.64 K(o=-1.6,f=-3.1!) USER MOD Single : A 837 TYR OH : rot 180:sc= 0 USER MOD Single : A 842 HIS : no HE2:sc= -0.378 X(o=-0.38,f=-0.19) USER MOD Single : A 849 GLN : amide:sc= -0.599 K(o=-0.6,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 261 N TYR A 768 3.178 15.800 -14.391 1.00 23.25 N ATOM 262 CA TYR A 768 3.599 17.165 -14.685 1.00 31.53 C ATOM 263 C TYR A 768 2.400 18.040 -15.038 1.00 64.22 C ATOM 264 O TYR A 768 2.177 19.084 -14.425 1.00 50.22 O ATOM 265 CB TYR A 768 4.608 17.173 -15.835 1.00 34.04 C ATOM 266 CG TYR A 768 5.379 18.468 -15.954 1.00 55.23 C ATOM 267 CD1 TYR A 768 5.416 19.169 -17.153 1.00 41.12 C ATOM 268 CD2 TYR A 768 6.069 18.991 -14.868 1.00 14.53 C ATOM 269 CE1 TYR A 768 6.120 20.352 -17.267 1.00 52.32 C ATOM 270 CE2 TYR A 768 6.774 20.175 -14.972 1.00 72.10 C ATOM 271 CZ TYR A 768 6.797 20.851 -16.174 1.00 12.21 C ATOM 272 OH TYR A 768 7.498 22.030 -16.283 1.00 12.41 O ATOM 0 HA TYR A 768 4.073 17.573 -13.792 1.00 31.53 H new ATOM 0 HB2 TYR A 768 5.312 16.352 -15.696 1.00 34.04 H new ATOM 0 HB3 TYR A 768 4.081 16.986 -16.771 1.00 34.04 H new ATOM 0 HD1 TYR A 768 4.885 18.782 -18.010 1.00 41.12 H new ATOM 0 HD2 TYR A 768 6.054 18.463 -13.926 1.00 14.53 H new ATOM 0 HE1 TYR A 768 6.140 20.883 -18.207 1.00 52.32 H new ATOM 0 HE2 TYR A 768 7.304 20.569 -14.117 1.00 72.10 H new ATOM 0 HH TYR A 768 7.917 22.242 -15.423 1.00 12.41 H new ATOM 282 N HIS A 769 1.631 17.605 -16.032 1.00 3.44 N ATOM 283 CA HIS A 769 0.454 18.348 -16.467 1.00 73.34 C ATOM 284 C HIS A 769 -0.464 18.653 -15.287 1.00 44.02 C ATOM 285 O HIS A 769 -1.008 19.752 -15.180 1.00 3.13 O ATOM 286 CB HIS A 769 -0.309 17.557 -17.530 1.00 74.42 C ATOM 287 CG HIS A 769 0.304 17.639 -18.894 1.00 25.32 C ATOM 288 ND1 HIS A 769 -0.400 17.389 -20.053 1.00 21.44 N ATOM 289 CD2 HIS A 769 1.564 17.947 -19.280 1.00 45.14 C ATOM 290 CE1 HIS A 769 0.401 17.538 -21.093 1.00 33.12 C ATOM 291 NE2 HIS A 769 1.598 17.877 -20.651 1.00 44.24 N ATOM 0 H HIS A 769 1.802 16.743 -16.550 1.00 3.44 H new ATOM 0 HA HIS A 769 0.789 19.292 -16.897 1.00 73.34 H new ATOM 0 HB2 HIS A 769 -0.360 16.511 -17.226 1.00 74.42 H new ATOM 0 HB3 HIS A 769 -1.334 17.925 -17.579 1.00 74.42 H new ATOM 0 HD2 HIS A 769 2.389 18.201 -18.631 1.00 45.14 H new ATOM 0 HE1 HIS A 769 0.124 17.405 -22.128 1.00 33.12 H new ATOM 0 HE2 HIS A 769 2.416 18.058 -21.234 1.00 44.24 H new ATOM 299 N ARG A 770 -0.631 17.673 -14.405 1.00 41.20 N ATOM 300 CA ARG A 770 -1.484 17.837 -13.234 1.00 61.21 C ATOM 301 C ARG A 770 -0.970 18.961 -12.340 1.00 2.22 C ATOM 302 O ARG A 770 -1.685 19.926 -12.064 1.00 65.11 O ATOM 303 CB ARG A 770 -1.553 16.531 -12.441 1.00 30.25 C ATOM 304 CG ARG A 770 -1.855 16.730 -10.964 1.00 52.33 C ATOM 305 CD ARG A 770 -1.961 15.401 -10.233 1.00 13.32 C ATOM 306 NE ARG A 770 -2.686 15.527 -8.971 1.00 4.40 N ATOM 307 CZ ARG A 770 -4.002 15.687 -8.892 1.00 1.40 C ATOM 308 NH1 ARG A 770 -4.734 15.740 -9.996 1.00 51.01 N ATOM 309 NH2 ARG A 770 -4.588 15.794 -7.707 1.00 15.54 N ATOM 0 H ARG A 770 -0.187 16.758 -14.479 1.00 41.20 H new ATOM 0 HA ARG A 770 -2.485 18.099 -13.578 1.00 61.21 H new ATOM 0 HB2 ARG A 770 -2.320 15.891 -12.877 1.00 30.25 H new ATOM 0 HB3 ARG A 770 -0.604 16.004 -12.541 1.00 30.25 H new ATOM 0 HG2 ARG A 770 -1.070 17.335 -10.509 1.00 52.33 H new ATOM 0 HG3 ARG A 770 -2.788 17.283 -10.854 1.00 52.33 H new ATOM 0 HD2 ARG A 770 -2.467 14.676 -10.871 1.00 13.32 H new ATOM 0 HD3 ARG A 770 -0.961 15.013 -10.039 1.00 13.32 H new ATOM 0 HE ARG A 770 -2.152 15.490 -8.103 1.00 4.40 H new ATOM 0 HH11 ARG A 770 -4.287 15.658 -10.909 1.00 51.01 H new ATOM 0 HH12 ARG A 770 -5.745 15.863 -9.932 1.00 51.01 H new ATOM 0 HH21 ARG A 770 -4.028 15.753 -6.856 1.00 15.54 H new ATOM 0 HH22 ARG A 770 -5.599 15.917 -7.647 1.00 15.54 H new ATOM 323 N LEU A 771 0.273 18.830 -11.889 1.00 50.32 N ATOM 324 CA LEU A 771 0.883 19.835 -11.025 1.00 64.13 C ATOM 325 C LEU A 771 0.720 21.232 -11.615 1.00 41.11 C ATOM 326 O LEU A 771 0.249 22.149 -10.942 1.00 44.45 O ATOM 327 CB LEU A 771 2.367 19.526 -10.820 1.00 64.21 C ATOM 328 CG LEU A 771 3.014 20.134 -9.575 1.00 51.43 C ATOM 329 CD1 LEU A 771 2.468 19.480 -8.316 1.00 34.11 C ATOM 330 CD2 LEU A 771 4.528 19.994 -9.638 1.00 31.13 C ATOM 0 H LEU A 771 0.878 18.038 -12.107 1.00 50.32 H new ATOM 0 HA LEU A 771 0.375 19.806 -10.061 1.00 64.13 H new ATOM 0 HB2 LEU A 771 2.490 18.444 -10.777 1.00 64.21 H new ATOM 0 HB3 LEU A 771 2.914 19.874 -11.696 1.00 64.21 H new ATOM 0 HG LEU A 771 2.769 21.196 -9.543 1.00 51.43 H new ATOM 0 HD11 LEU A 771 2.940 19.926 -7.440 1.00 34.11 H new ATOM 0 HD12 LEU A 771 1.390 19.633 -8.265 1.00 34.11 H new ATOM 0 HD13 LEU A 771 2.682 18.411 -8.339 1.00 34.11 H new ATOM 0 HD21 LEU A 771 4.971 20.432 -8.744 1.00 31.13 H new ATOM 0 HD22 LEU A 771 4.794 18.938 -9.695 1.00 31.13 H new ATOM 0 HD23 LEU A 771 4.905 20.511 -10.521 1.00 31.13 H new ATOM 342 N ARG A 772 1.110 21.386 -12.876 1.00 63.33 N ATOM 343 CA ARG A 772 1.006 22.671 -13.557 1.00 62.31 C ATOM 344 C ARG A 772 -0.449 23.119 -13.653 1.00 33.12 C ATOM 345 O ARG A 772 -0.744 24.314 -13.635 1.00 4.23 O ATOM 346 CB ARG A 772 1.616 22.581 -14.957 1.00 45.10 C ATOM 347 CG ARG A 772 1.961 23.934 -15.559 1.00 23.42 C ATOM 348 CD ARG A 772 2.997 23.804 -16.664 1.00 64.42 C ATOM 349 NE ARG A 772 3.755 25.038 -16.852 1.00 51.03 N ATOM 350 CZ ARG A 772 4.715 25.180 -17.759 1.00 51.24 C ATOM 351 NH1 ARG A 772 5.032 24.170 -18.557 1.00 44.13 N ATOM 352 NH2 ARG A 772 5.359 26.335 -17.870 1.00 20.00 N ATOM 0 H ARG A 772 1.501 20.637 -13.447 1.00 63.33 H new ATOM 0 HA ARG A 772 1.558 23.408 -12.974 1.00 62.31 H new ATOM 0 HB2 ARG A 772 2.519 21.972 -14.912 1.00 45.10 H new ATOM 0 HB3 ARG A 772 0.917 22.067 -15.616 1.00 45.10 H new ATOM 0 HG2 ARG A 772 1.058 24.397 -15.958 1.00 23.42 H new ATOM 0 HG3 ARG A 772 2.340 24.594 -14.779 1.00 23.42 H new ATOM 0 HD2 ARG A 772 3.682 22.991 -16.425 1.00 64.42 H new ATOM 0 HD3 ARG A 772 2.500 23.538 -17.597 1.00 64.42 H new ATOM 0 HE ARG A 772 3.535 25.835 -16.254 1.00 51.03 H new ATOM 0 HH11 ARG A 772 4.538 23.281 -18.475 1.00 44.13 H new ATOM 0 HH12 ARG A 772 5.770 24.282 -19.253 1.00 44.13 H new ATOM 0 HH21 ARG A 772 5.117 27.115 -17.259 1.00 20.00 H new ATOM 0 HH22 ARG A 772 6.096 26.443 -18.567 1.00 20.00 H new ATOM 366 N ASP A 773 -1.355 22.152 -13.755 1.00 41.42 N ATOM 367 CA ASP A 773 -2.780 22.447 -13.853 1.00 63.03 C ATOM 368 C ASP A 773 -3.294 23.080 -12.564 1.00 21.51 C ATOM 369 O ASP A 773 -3.811 24.197 -12.571 1.00 53.44 O ATOM 370 CB ASP A 773 -3.566 21.171 -14.159 1.00 51.31 C ATOM 371 CG ASP A 773 -5.016 21.453 -14.501 1.00 31.14 C ATOM 372 OD1 ASP A 773 -5.858 20.551 -14.305 1.00 11.33 O ATOM 373 OD2 ASP A 773 -5.309 22.575 -14.963 1.00 12.11 O ATOM 0 H ASP A 773 -1.128 21.158 -13.772 1.00 41.42 H new ATOM 0 HA ASP A 773 -2.924 23.157 -14.667 1.00 63.03 H new ATOM 0 HB2 ASP A 773 -3.094 20.648 -14.991 1.00 51.31 H new ATOM 0 HB3 ASP A 773 -3.522 20.505 -13.297 1.00 51.31 H new ATOM 378 N LEU A 774 -3.149 22.357 -11.458 1.00 54.43 N ATOM 379 CA LEU A 774 -3.600 22.847 -10.160 1.00 51.22 C ATOM 380 C LEU A 774 -2.963 24.195 -9.835 1.00 72.45 C ATOM 381 O LEU A 774 -3.650 25.140 -9.446 1.00 42.44 O ATOM 382 CB LEU A 774 -3.263 21.834 -9.065 1.00 64.43 C ATOM 383 CG LEU A 774 -4.283 20.716 -8.847 1.00 54.15 C ATOM 384 CD1 LEU A 774 -5.602 21.287 -8.349 1.00 3.21 C ATOM 385 CD2 LEU A 774 -4.493 19.928 -10.132 1.00 33.30 C ATOM 0 H LEU A 774 -2.723 21.430 -11.434 1.00 54.43 H new ATOM 0 HA LEU A 774 -4.681 22.978 -10.205 1.00 51.22 H new ATOM 0 HB2 LEU A 774 -2.301 21.380 -9.302 1.00 64.43 H new ATOM 0 HB3 LEU A 774 -3.138 22.373 -8.126 1.00 64.43 H new ATOM 0 HG LEU A 774 -3.894 20.038 -8.088 1.00 54.15 H new ATOM 0 HD11 LEU A 774 -6.316 20.477 -8.199 1.00 3.21 H new ATOM 0 HD12 LEU A 774 -5.440 21.807 -7.405 1.00 3.21 H new ATOM 0 HD13 LEU A 774 -5.997 21.987 -9.085 1.00 3.21 H new ATOM 0 HD21 LEU A 774 -5.222 19.136 -9.958 1.00 33.30 H new ATOM 0 HD22 LEU A 774 -4.860 20.595 -10.912 1.00 33.30 H new ATOM 0 HD23 LEU A 774 -3.547 19.487 -10.447 1.00 33.30 H new ATOM 397 N LEU A 775 -1.647 24.276 -10.000 1.00 35.14 N ATOM 398 CA LEU A 775 -0.917 25.509 -9.726 1.00 71.22 C ATOM 399 C LEU A 775 -1.409 26.643 -10.620 1.00 34.13 C ATOM 400 O LEU A 775 -1.505 27.792 -10.187 1.00 0.04 O ATOM 401 CB LEU A 775 0.583 25.293 -9.936 1.00 13.42 C ATOM 402 CG LEU A 775 1.510 26.249 -9.184 1.00 14.31 C ATOM 403 CD1 LEU A 775 1.587 25.871 -7.713 1.00 21.00 C ATOM 404 CD2 LEU A 775 2.897 26.250 -9.810 1.00 54.11 C ATOM 0 H LEU A 775 -1.064 23.503 -10.322 1.00 35.14 H new ATOM 0 HA LEU A 775 -1.097 25.786 -8.687 1.00 71.22 H new ATOM 0 HB2 LEU A 775 0.828 24.273 -9.640 1.00 13.42 H new ATOM 0 HB3 LEU A 775 0.796 25.375 -11.002 1.00 13.42 H new ATOM 0 HG LEU A 775 1.099 27.256 -9.258 1.00 14.31 H new ATOM 0 HD11 LEU A 775 2.251 26.562 -7.194 1.00 21.00 H new ATOM 0 HD12 LEU A 775 0.592 25.923 -7.271 1.00 21.00 H new ATOM 0 HD13 LEU A 775 1.973 24.856 -7.618 1.00 21.00 H new ATOM 0 HD21 LEU A 775 3.543 26.936 -9.262 1.00 54.11 H new ATOM 0 HD22 LEU A 775 3.316 25.245 -9.768 1.00 54.11 H new ATOM 0 HD23 LEU A 775 2.827 26.570 -10.850 1.00 54.11 H new ATOM 416 N LEU A 776 -1.722 26.312 -11.868 1.00 15.34 N ATOM 417 CA LEU A 776 -2.208 27.303 -12.823 1.00 22.34 C ATOM 418 C LEU A 776 -3.549 27.876 -12.378 1.00 14.21 C ATOM 419 O LEU A 776 -3.786 29.080 -12.482 1.00 2.22 O ATOM 420 CB LEU A 776 -2.343 26.677 -14.212 1.00 30.12 C ATOM 421 CG LEU A 776 -1.114 26.778 -15.116 1.00 21.31 C ATOM 422 CD1 LEU A 776 -1.280 25.895 -16.343 1.00 53.33 C ATOM 423 CD2 LEU A 776 -0.870 28.223 -15.525 1.00 23.11 C ATOM 0 H LEU A 776 -1.648 25.366 -12.242 1.00 15.34 H new ATOM 0 HA LEU A 776 -1.483 28.116 -12.866 1.00 22.34 H new ATOM 0 HB2 LEU A 776 -2.594 25.623 -14.091 1.00 30.12 H new ATOM 0 HB3 LEU A 776 -3.183 27.149 -14.721 1.00 30.12 H new ATOM 0 HG LEU A 776 -0.246 26.428 -14.557 1.00 21.31 H new ATOM 0 HD11 LEU A 776 -0.396 25.980 -16.975 1.00 53.33 H new ATOM 0 HD12 LEU A 776 -1.405 24.858 -16.031 1.00 53.33 H new ATOM 0 HD13 LEU A 776 -2.159 26.213 -16.904 1.00 53.33 H new ATOM 0 HD21 LEU A 776 0.009 28.276 -16.168 1.00 23.11 H new ATOM 0 HD22 LEU A 776 -1.738 28.600 -16.065 1.00 23.11 H new ATOM 0 HD23 LEU A 776 -0.705 28.830 -14.635 1.00 23.11 H new ATOM 435 N ILE A 777 -4.423 27.007 -11.881 1.00 1.12 N ATOM 436 CA ILE A 777 -5.739 27.428 -11.417 1.00 51.11 C ATOM 437 C ILE A 777 -5.628 28.328 -10.191 1.00 72.01 C ATOM 438 O ILE A 777 -6.084 29.471 -10.204 1.00 10.55 O ATOM 439 CB ILE A 777 -6.628 26.219 -11.073 1.00 73.54 C ATOM 440 CG1 ILE A 777 -6.867 25.363 -12.319 1.00 61.12 C ATOM 441 CG2 ILE A 777 -7.951 26.684 -10.483 1.00 2.22 C ATOM 442 CD1 ILE A 777 -7.658 26.071 -13.396 1.00 41.45 C ATOM 0 H ILE A 777 -4.243 26.007 -11.789 1.00 1.12 H new ATOM 0 HA ILE A 777 -6.198 27.985 -12.234 1.00 51.11 H new ATOM 0 HB ILE A 777 -6.115 25.610 -10.329 1.00 73.54 H new ATOM 0 HG12 ILE A 777 -5.905 25.056 -12.729 1.00 61.12 H new ATOM 0 HG13 ILE A 777 -7.395 24.454 -12.030 1.00 61.12 H new ATOM 0 HG21 ILE A 777 -8.568 25.817 -10.245 1.00 2.22 H new ATOM 0 HG22 ILE A 777 -7.763 27.256 -9.574 1.00 2.22 H new ATOM 0 HG23 ILE A 777 -8.471 27.312 -11.206 1.00 2.22 H new ATOM 0 HD11 ILE A 777 -7.789 25.405 -14.249 1.00 41.45 H new ATOM 0 HD12 ILE A 777 -8.635 26.354 -13.003 1.00 41.45 H new ATOM 0 HD13 ILE A 777 -7.121 26.965 -13.713 1.00 41.45 H new ATOM 454 N VAL A 778 -5.017 27.804 -9.133 1.00 14.52 N ATOM 455 CA VAL A 778 -4.843 28.561 -7.899 1.00 12.13 C ATOM 456 C VAL A 778 -4.214 29.922 -8.173 1.00 1.41 C ATOM 457 O VAL A 778 -4.645 30.940 -7.629 1.00 24.44 O ATOM 458 CB VAL A 778 -3.966 27.796 -6.890 1.00 62.13 C ATOM 459 CG1 VAL A 778 -2.620 27.448 -7.509 1.00 14.10 C ATOM 460 CG2 VAL A 778 -3.782 28.610 -5.619 1.00 15.44 C ATOM 0 H VAL A 778 -4.634 26.859 -9.106 1.00 14.52 H new ATOM 0 HA VAL A 778 -5.836 28.702 -7.472 1.00 12.13 H new ATOM 0 HB VAL A 778 -4.471 26.866 -6.628 1.00 62.13 H new ATOM 0 HG11 VAL A 778 -2.014 26.908 -6.782 1.00 14.10 H new ATOM 0 HG12 VAL A 778 -2.775 26.823 -8.388 1.00 14.10 H new ATOM 0 HG13 VAL A 778 -2.106 28.364 -7.801 1.00 14.10 H new ATOM 0 HG21 VAL A 778 -3.160 28.054 -4.918 1.00 15.44 H new ATOM 0 HG22 VAL A 778 -3.299 29.557 -5.860 1.00 15.44 H new ATOM 0 HG23 VAL A 778 -4.755 28.803 -5.167 1.00 15.44 H new ATOM 470 N THR A 779 -3.191 29.935 -9.022 1.00 2.21 N ATOM 471 CA THR A 779 -2.501 31.171 -9.369 1.00 2.13 C ATOM 472 C THR A 779 -3.446 32.157 -10.046 1.00 41.00 C ATOM 473 O THR A 779 -3.559 33.309 -9.628 1.00 53.53 O ATOM 474 CB THR A 779 -1.303 30.904 -10.299 1.00 60.35 C ATOM 475 OG1 THR A 779 -0.353 30.056 -9.644 1.00 2.40 O ATOM 476 CG2 THR A 779 -0.632 32.207 -10.706 1.00 50.01 C ATOM 0 H THR A 779 -2.822 29.103 -9.482 1.00 2.21 H new ATOM 0 HA THR A 779 -2.138 31.602 -8.436 1.00 2.13 H new ATOM 0 HB THR A 779 -1.672 30.409 -11.197 1.00 60.35 H new ATOM 0 HG1 THR A 779 -0.712 29.146 -9.587 1.00 2.40 H new ATOM 0 HG21 THR A 779 0.211 31.992 -11.363 1.00 50.01 H new ATOM 0 HG22 THR A 779 -1.350 32.837 -11.231 1.00 50.01 H new ATOM 0 HG23 THR A 779 -0.276 32.726 -9.816 1.00 50.01 H new ATOM 484 N ARG A 780 -4.123 31.697 -11.093 1.00 22.30 N ATOM 485 CA ARG A 780 -5.058 32.539 -11.828 1.00 52.14 C ATOM 486 C ARG A 780 -6.041 33.218 -10.879 1.00 22.13 C ATOM 487 O ARG A 780 -6.303 34.416 -10.993 1.00 61.42 O ATOM 488 CB ARG A 780 -5.822 31.709 -12.861 1.00 61.45 C ATOM 489 CG ARG A 780 -6.262 32.505 -14.079 1.00 2.42 C ATOM 490 CD ARG A 780 -5.069 33.056 -14.845 1.00 72.42 C ATOM 491 NE ARG A 780 -5.456 33.596 -16.146 1.00 32.24 N ATOM 492 CZ ARG A 780 -4.593 34.112 -17.013 1.00 51.04 C ATOM 493 NH1 ARG A 780 -3.301 34.157 -16.721 1.00 3.32 N ATOM 494 NH2 ARG A 780 -5.022 34.584 -18.177 1.00 72.21 N ATOM 0 H ARG A 780 -4.041 30.745 -11.451 1.00 22.30 H new ATOM 0 HA ARG A 780 -4.485 33.310 -12.343 1.00 52.14 H new ATOM 0 HB2 ARG A 780 -5.192 30.881 -13.187 1.00 61.45 H new ATOM 0 HB3 ARG A 780 -6.701 31.273 -12.386 1.00 61.45 H new ATOM 0 HG2 ARG A 780 -6.855 31.869 -14.736 1.00 2.42 H new ATOM 0 HG3 ARG A 780 -6.905 33.327 -13.765 1.00 2.42 H new ATOM 0 HD2 ARG A 780 -4.590 33.838 -14.256 1.00 72.42 H new ATOM 0 HD3 ARG A 780 -4.332 32.265 -14.985 1.00 72.42 H new ATOM 0 HE ARG A 780 -6.443 33.576 -16.402 1.00 32.24 H new ATOM 0 HH11 ARG A 780 -2.967 33.795 -15.828 1.00 3.32 H new ATOM 0 HH12 ARG A 780 -2.641 34.554 -17.389 1.00 3.32 H new ATOM 0 HH21 ARG A 780 -6.015 34.550 -18.406 1.00 72.21 H new ATOM 0 HH22 ARG A 780 -4.358 34.980 -18.842 1.00 72.21 H new ATOM 508 N ILE A 781 -6.581 32.445 -9.943 1.00 32.21 N ATOM 509 CA ILE A 781 -7.534 32.972 -8.974 1.00 20.42 C ATOM 510 C ILE A 781 -6.891 34.040 -8.096 1.00 31.34 C ATOM 511 O ILE A 781 -7.475 35.097 -7.858 1.00 3.33 O ATOM 512 CB ILE A 781 -8.098 31.856 -8.075 1.00 73.51 C ATOM 513 CG1 ILE A 781 -8.799 30.792 -8.924 1.00 5.40 C ATOM 514 CG2 ILE A 781 -9.058 32.437 -7.048 1.00 2.24 C ATOM 515 CD1 ILE A 781 -10.019 31.309 -9.653 1.00 33.21 C ATOM 0 H ILE A 781 -6.375 31.452 -9.835 1.00 32.21 H new ATOM 0 HA ILE A 781 -8.350 33.416 -9.544 1.00 20.42 H new ATOM 0 HB ILE A 781 -7.270 31.385 -7.545 1.00 73.51 H new ATOM 0 HG12 ILE A 781 -8.091 30.395 -9.652 1.00 5.40 H new ATOM 0 HG13 ILE A 781 -9.094 29.962 -8.282 1.00 5.40 H new ATOM 0 HG21 ILE A 781 -9.448 31.636 -6.420 1.00 2.24 H new ATOM 0 HG22 ILE A 781 -8.531 33.161 -6.426 1.00 2.24 H new ATOM 0 HG23 ILE A 781 -9.884 32.931 -7.560 1.00 2.24 H new ATOM 0 HD11 ILE A 781 -10.465 30.502 -10.234 1.00 33.21 H new ATOM 0 HD12 ILE A 781 -10.745 31.679 -8.930 1.00 33.21 H new ATOM 0 HD13 ILE A 781 -9.727 32.119 -10.321 1.00 33.21 H new ATOM 527 N VAL A 782 -5.684 33.757 -7.617 1.00 65.22 N ATOM 528 CA VAL A 782 -4.959 34.694 -6.768 1.00 1.15 C ATOM 529 C VAL A 782 -4.805 36.049 -7.450 1.00 31.30 C ATOM 530 O VAL A 782 -4.941 37.093 -6.814 1.00 53.43 O ATOM 531 CB VAL A 782 -3.564 34.155 -6.400 1.00 45.31 C ATOM 532 CG1 VAL A 782 -2.814 35.158 -5.536 1.00 14.03 C ATOM 533 CG2 VAL A 782 -3.680 32.813 -5.694 1.00 71.23 C ATOM 0 H VAL A 782 -5.187 32.886 -7.803 1.00 65.22 H new ATOM 0 HA VAL A 782 -5.546 34.814 -5.857 1.00 1.15 H new ATOM 0 HB VAL A 782 -2.997 34.008 -7.319 1.00 45.31 H new ATOM 0 HG11 VAL A 782 -1.831 34.759 -5.286 1.00 14.03 H new ATOM 0 HG12 VAL A 782 -2.698 36.094 -6.082 1.00 14.03 H new ATOM 0 HG13 VAL A 782 -3.375 35.340 -4.620 1.00 14.03 H new ATOM 0 HG21 VAL A 782 -2.685 32.447 -5.442 1.00 71.23 H new ATOM 0 HG22 VAL A 782 -4.265 32.931 -4.782 1.00 71.23 H new ATOM 0 HG23 VAL A 782 -4.173 32.097 -6.352 1.00 71.23 H new ATOM 543 N GLU A 783 -4.521 36.022 -8.748 1.00 40.24 N ATOM 544 CA GLU A 783 -4.348 37.249 -9.517 1.00 54.30 C ATOM 545 C GLU A 783 -5.700 37.848 -9.897 1.00 63.20 C ATOM 546 O GLU A 783 -5.821 39.057 -10.099 1.00 34.12 O ATOM 547 CB GLU A 783 -3.527 36.976 -10.778 1.00 65.14 C ATOM 548 CG GLU A 783 -2.193 36.303 -10.502 1.00 5.23 C ATOM 549 CD GLU A 783 -1.329 37.094 -9.538 1.00 40.14 C ATOM 550 OE1 GLU A 783 -1.618 37.067 -8.324 1.00 33.43 O ATOM 551 OE2 GLU A 783 -0.365 37.740 -9.998 1.00 42.44 O ATOM 0 H GLU A 783 -4.406 35.165 -9.289 1.00 40.24 H new ATOM 0 HA GLU A 783 -3.814 37.966 -8.893 1.00 54.30 H new ATOM 0 HB2 GLU A 783 -4.109 36.347 -11.451 1.00 65.14 H new ATOM 0 HB3 GLU A 783 -3.349 37.918 -11.296 1.00 65.14 H new ATOM 0 HG2 GLU A 783 -2.370 35.308 -10.093 1.00 5.23 H new ATOM 0 HG3 GLU A 783 -1.656 36.171 -11.441 1.00 5.23 H new ATOM 850 N LEU A 800 -24.163 53.675 -4.299 1.00 41.13 N ATOM 851 CA LEU A 800 -24.306 54.576 -3.161 1.00 31.34 C ATOM 852 C LEU A 800 -24.726 55.969 -3.618 1.00 2.12 C ATOM 853 O LEU A 800 -25.772 56.475 -3.214 1.00 52.52 O ATOM 854 CB LEU A 800 -22.993 54.656 -2.381 1.00 3.43 C ATOM 855 CG LEU A 800 -23.003 55.550 -1.140 1.00 4.00 C ATOM 856 CD1 LEU A 800 -22.773 57.003 -1.527 1.00 21.24 C ATOM 857 CD2 LEU A 800 -24.315 55.398 -0.384 1.00 44.40 C ATOM 0 HA LEU A 800 -25.084 54.178 -2.510 1.00 31.34 H new ATOM 0 HB2 LEU A 800 -22.713 53.648 -2.076 1.00 3.43 H new ATOM 0 HB3 LEU A 800 -22.214 55.013 -3.055 1.00 3.43 H new ATOM 0 HG LEU A 800 -22.191 55.238 -0.484 1.00 4.00 H new ATOM 0 HD11 LEU A 800 -22.783 57.624 -0.631 1.00 21.24 H new ATOM 0 HD12 LEU A 800 -21.808 57.099 -2.024 1.00 21.24 H new ATOM 0 HD13 LEU A 800 -23.563 57.329 -2.204 1.00 21.24 H new ATOM 0 HD21 LEU A 800 -24.305 56.041 0.496 1.00 44.40 H new ATOM 0 HD22 LEU A 800 -25.144 55.683 -1.032 1.00 44.40 H new ATOM 0 HD23 LEU A 800 -24.438 54.360 -0.073 1.00 44.40 H new ATOM 869 N GLN A 801 -23.903 56.582 -4.463 1.00 72.42 N ATOM 870 CA GLN A 801 -24.191 57.916 -4.976 1.00 64.13 C ATOM 871 C GLN A 801 -25.470 57.916 -5.807 1.00 65.22 C ATOM 872 O GLN A 801 -26.218 58.894 -5.813 1.00 63.42 O ATOM 873 CB GLN A 801 -23.020 58.424 -5.820 1.00 72.21 C ATOM 874 CG GLN A 801 -21.756 58.680 -5.015 1.00 51.04 C ATOM 875 CD GLN A 801 -21.943 59.754 -3.961 1.00 62.54 C ATOM 876 OE1 GLN A 801 -22.978 60.419 -3.913 1.00 43.11 O ATOM 877 NE2 GLN A 801 -20.939 59.928 -3.109 1.00 73.14 N ATOM 0 H GLN A 801 -23.032 56.176 -4.806 1.00 72.42 H new ATOM 0 HA GLN A 801 -24.333 58.582 -4.125 1.00 64.13 H new ATOM 0 HB2 GLN A 801 -22.802 57.695 -6.601 1.00 72.21 H new ATOM 0 HB3 GLN A 801 -23.316 59.347 -6.319 1.00 72.21 H new ATOM 0 HG2 GLN A 801 -21.443 57.754 -4.533 1.00 51.04 H new ATOM 0 HG3 GLN A 801 -20.953 58.975 -5.691 1.00 51.04 H new ATOM 0 HE21 GLN A 801 -20.099 59.354 -3.186 1.00 73.14 H new ATOM 0 HE22 GLN A 801 -21.008 60.636 -2.378 1.00 73.14 H new ATOM 886 N TYR A 802 -25.714 56.814 -6.507 1.00 61.14 N ATOM 887 CA TYR A 802 -26.901 56.688 -7.344 1.00 72.24 C ATOM 888 C TYR A 802 -28.171 56.761 -6.503 1.00 14.53 C ATOM 889 O TYR A 802 -29.007 57.644 -6.696 1.00 51.42 O ATOM 890 CB TYR A 802 -26.866 55.370 -8.121 1.00 10.34 C ATOM 891 CG TYR A 802 -28.190 55.005 -8.754 1.00 4.11 C ATOM 892 CD1 TYR A 802 -28.966 55.966 -9.391 1.00 23.14 C ATOM 893 CD2 TYR A 802 -28.664 53.700 -8.715 1.00 15.10 C ATOM 894 CE1 TYR A 802 -30.176 55.637 -9.970 1.00 50.21 C ATOM 895 CE2 TYR A 802 -29.873 53.362 -9.293 1.00 3.00 C ATOM 896 CZ TYR A 802 -30.625 54.334 -9.919 1.00 41.01 C ATOM 897 OH TYR A 802 -31.830 54.002 -10.495 1.00 23.42 O ATOM 0 H TYR A 802 -25.106 55.995 -6.511 1.00 61.14 H new ATOM 0 HA TYR A 802 -26.906 57.519 -8.050 1.00 72.24 H new ATOM 0 HB2 TYR A 802 -26.107 55.437 -8.900 1.00 10.34 H new ATOM 0 HB3 TYR A 802 -26.562 54.569 -7.448 1.00 10.34 H new ATOM 0 HD1 TYR A 802 -28.617 56.987 -9.434 1.00 23.14 H new ATOM 0 HD2 TYR A 802 -28.078 52.937 -8.225 1.00 15.10 H new ATOM 0 HE1 TYR A 802 -30.767 56.396 -10.460 1.00 50.21 H new ATOM 0 HE2 TYR A 802 -30.227 52.342 -9.255 1.00 3.00 H new ATOM 0 HH TYR A 802 -31.999 53.045 -10.372 1.00 23.42 H new ATOM 907 N TRP A 803 -28.308 55.828 -5.568 1.00 54.10 N ATOM 908 CA TRP A 803 -29.476 55.786 -4.695 1.00 52.41 C ATOM 909 C TRP A 803 -29.626 57.093 -3.924 1.00 12.02 C ATOM 910 O TRP A 803 -30.712 57.671 -3.869 1.00 24.00 O ATOM 911 CB TRP A 803 -29.368 54.613 -3.720 1.00 4.45 C ATOM 912 CG TRP A 803 -29.300 53.280 -4.400 1.00 31.55 C ATOM 913 CD1 TRP A 803 -28.368 52.303 -4.197 1.00 24.52 C ATOM 914 CD2 TRP A 803 -30.201 52.778 -5.393 1.00 24.50 C ATOM 915 NE1 TRP A 803 -28.634 51.223 -5.005 1.00 12.44 N ATOM 916 CE2 TRP A 803 -29.754 51.489 -5.747 1.00 41.43 C ATOM 917 CE3 TRP A 803 -31.342 53.290 -6.016 1.00 63.41 C ATOM 918 CZ2 TRP A 803 -30.409 50.710 -6.697 1.00 63.12 C ATOM 919 CZ3 TRP A 803 -31.990 52.515 -6.959 1.00 33.12 C ATOM 920 CH2 TRP A 803 -31.523 51.236 -7.292 1.00 13.45 C ATOM 0 H TRP A 803 -27.625 55.090 -5.395 1.00 54.10 H new ATOM 0 HA TRP A 803 -30.360 55.650 -5.318 1.00 52.41 H new ATOM 0 HB2 TRP A 803 -28.479 54.744 -3.103 1.00 4.45 H new ATOM 0 HB3 TRP A 803 -30.227 54.627 -3.049 1.00 4.45 H new ATOM 0 HD1 TRP A 803 -27.543 52.369 -3.503 1.00 24.52 H new ATOM 0 HE1 TRP A 803 -28.086 50.363 -5.045 1.00 12.44 H new ATOM 0 HE3 TRP A 803 -31.711 54.274 -5.765 1.00 63.41 H new ATOM 0 HZ2 TRP A 803 -30.050 49.725 -6.955 1.00 63.12 H new ATOM 0 HZ3 TRP A 803 -32.872 52.902 -7.448 1.00 33.12 H new ATOM 0 HH2 TRP A 803 -32.053 50.655 -8.032 1.00 13.45 H new ATOM 931 N SER A 804 -28.530 57.554 -3.329 1.00 72.44 N ATOM 932 CA SER A 804 -28.542 58.791 -2.558 1.00 24.01 C ATOM 933 C SER A 804 -29.139 59.934 -3.373 1.00 32.20 C ATOM 934 O SER A 804 -30.155 60.515 -2.993 1.00 53.13 O ATOM 935 CB SER A 804 -27.123 59.153 -2.114 1.00 40.23 C ATOM 936 OG SER A 804 -27.145 60.044 -1.012 1.00 71.12 O ATOM 0 H SER A 804 -27.623 57.089 -3.366 1.00 72.44 H new ATOM 0 HA SER A 804 -29.163 58.634 -1.676 1.00 24.01 H new ATOM 0 HB2 SER A 804 -26.581 58.247 -1.842 1.00 40.23 H new ATOM 0 HB3 SER A 804 -26.584 59.610 -2.944 1.00 40.23 H new ATOM 0 HG SER A 804 -26.226 60.258 -0.746 1.00 71.12 H new ATOM 942 N GLN A 805 -28.500 60.250 -4.495 1.00 31.52 N ATOM 943 CA GLN A 805 -28.968 61.323 -5.364 1.00 3.25 C ATOM 944 C GLN A 805 -30.399 61.067 -5.823 1.00 51.13 C ATOM 945 O GLN A 805 -31.173 62.003 -6.022 1.00 35.55 O ATOM 946 CB GLN A 805 -28.047 61.463 -6.577 1.00 50.40 C ATOM 947 CG GLN A 805 -28.547 62.462 -7.608 1.00 53.20 C ATOM 948 CD GLN A 805 -28.577 63.882 -7.078 1.00 44.44 C ATOM 949 OE1 GLN A 805 -28.142 64.148 -5.957 1.00 41.35 O ATOM 950 NE2 GLN A 805 -29.091 64.804 -7.884 1.00 44.40 N ATOM 0 H GLN A 805 -27.657 59.778 -4.823 1.00 31.52 H new ATOM 0 HA GLN A 805 -28.950 62.252 -4.794 1.00 3.25 H new ATOM 0 HB2 GLN A 805 -27.057 61.768 -6.238 1.00 50.40 H new ATOM 0 HB3 GLN A 805 -27.935 60.488 -7.052 1.00 50.40 H new ATOM 0 HG2 GLN A 805 -27.906 62.421 -8.489 1.00 53.20 H new ATOM 0 HG3 GLN A 805 -29.549 62.177 -7.929 1.00 53.20 H new ATOM 0 HE21 GLN A 805 -29.440 64.539 -8.805 1.00 44.40 H new ATOM 0 HE22 GLN A 805 -29.137 65.777 -7.582 1.00 44.40 H new ATOM 959 N GLU A 806 -30.743 59.794 -5.991 1.00 62.10 N ATOM 960 CA GLU A 806 -32.081 59.416 -6.429 1.00 14.02 C ATOM 961 C GLU A 806 -33.134 59.889 -5.431 1.00 11.15 C ATOM 962 O GLU A 806 -34.123 60.520 -5.806 1.00 0.40 O ATOM 963 CB GLU A 806 -32.175 57.899 -6.605 1.00 72.02 C ATOM 964 CG GLU A 806 -32.413 57.467 -8.042 1.00 74.23 C ATOM 965 CD GLU A 806 -33.885 57.431 -8.404 1.00 74.23 C ATOM 966 OE1 GLU A 806 -34.677 56.870 -7.618 1.00 1.10 O ATOM 967 OE2 GLU A 806 -34.246 57.964 -9.475 1.00 3.24 O ATOM 0 H GLU A 806 -30.114 59.008 -5.830 1.00 62.10 H new ATOM 0 HA GLU A 806 -32.271 59.898 -7.388 1.00 14.02 H new ATOM 0 HB2 GLU A 806 -31.253 57.442 -6.245 1.00 72.02 H new ATOM 0 HB3 GLU A 806 -32.984 57.519 -5.981 1.00 72.02 H new ATOM 0 HG2 GLU A 806 -31.894 58.151 -8.714 1.00 74.23 H new ATOM 0 HG3 GLU A 806 -31.980 56.479 -8.197 1.00 74.23 H new ATOM 974 N LEU A 807 -32.915 59.579 -4.158 1.00 10.15 N ATOM 975 CA LEU A 807 -33.844 59.971 -3.104 1.00 13.44 C ATOM 976 C LEU A 807 -33.839 61.484 -2.908 1.00 40.24 C ATOM 977 O LEU A 807 -34.872 62.087 -2.616 1.00 2.23 O ATOM 978 CB LEU A 807 -33.481 59.275 -1.791 1.00 11.10 C ATOM 979 CG LEU A 807 -34.209 57.961 -1.504 1.00 51.33 C ATOM 980 CD1 LEU A 807 -35.699 58.205 -1.324 1.00 54.25 C ATOM 981 CD2 LEU A 807 -33.962 56.960 -2.623 1.00 21.52 C ATOM 0 H LEU A 807 -32.102 59.057 -3.831 1.00 10.15 H new ATOM 0 HA LEU A 807 -34.846 59.665 -3.406 1.00 13.44 H new ATOM 0 HB2 LEU A 807 -32.408 59.081 -1.791 1.00 11.10 H new ATOM 0 HB3 LEU A 807 -33.680 59.964 -0.970 1.00 11.10 H new ATOM 0 HG LEU A 807 -33.815 57.544 -0.577 1.00 51.33 H new ATOM 0 HD11 LEU A 807 -36.201 57.259 -1.121 1.00 54.25 H new ATOM 0 HD12 LEU A 807 -35.858 58.887 -0.489 1.00 54.25 H new ATOM 0 HD13 LEU A 807 -36.108 58.644 -2.234 1.00 54.25 H new ATOM 0 HD21 LEU A 807 -34.487 56.031 -2.402 1.00 21.52 H new ATOM 0 HD22 LEU A 807 -34.328 57.369 -3.565 1.00 21.52 H new ATOM 0 HD23 LEU A 807 -32.893 56.762 -2.705 1.00 21.52 H new ATOM 993 N LYS A 808 -32.670 62.093 -3.074 1.00 64.14 N ATOM 994 CA LYS A 808 -32.529 63.536 -2.920 1.00 61.12 C ATOM 995 C LYS A 808 -33.274 64.276 -4.026 1.00 41.43 C ATOM 996 O LYS A 808 -34.175 65.070 -3.757 1.00 61.50 O ATOM 997 CB LYS A 808 -31.050 63.929 -2.935 1.00 11.31 C ATOM 998 CG LYS A 808 -30.820 65.431 -2.933 1.00 30.33 C ATOM 999 CD LYS A 808 -29.472 65.787 -2.330 1.00 3.33 C ATOM 1000 CE LYS A 808 -28.325 65.278 -3.189 1.00 24.33 C ATOM 1001 NZ LYS A 808 -27.002 65.718 -2.666 1.00 3.43 N ATOM 0 H LYS A 808 -31.805 61.609 -3.316 1.00 64.14 H new ATOM 0 HA LYS A 808 -32.964 63.818 -1.961 1.00 61.12 H new ATOM 0 HB2 LYS A 808 -30.558 63.493 -2.065 1.00 11.31 H new ATOM 0 HB3 LYS A 808 -30.577 63.499 -3.818 1.00 11.31 H new ATOM 0 HG2 LYS A 808 -30.875 65.810 -3.954 1.00 30.33 H new ATOM 0 HG3 LYS A 808 -31.613 65.921 -2.368 1.00 30.33 H new ATOM 0 HD2 LYS A 808 -29.395 66.869 -2.222 1.00 3.33 H new ATOM 0 HD3 LYS A 808 -29.396 65.361 -1.330 1.00 3.33 H new ATOM 0 HE2 LYS A 808 -28.356 64.189 -3.228 1.00 24.33 H new ATOM 0 HE3 LYS A 808 -28.449 65.637 -4.211 1.00 24.33 H new ATOM 0 HZ1 LYS A 808 -26.247 65.351 -3.279 1.00 3.43 H new ATOM 0 HZ2 LYS A 808 -26.962 66.757 -2.652 1.00 3.43 H new ATOM 0 HZ3 LYS A 808 -26.872 65.354 -1.701 1.00 3.43 H new ATOM 1015 N ASN A 809 -32.892 64.011 -5.271 1.00 70.43 N ATOM 1016 CA ASN A 809 -33.525 64.652 -6.418 1.00 70.42 C ATOM 1017 C ASN A 809 -35.029 64.396 -6.423 1.00 31.41 C ATOM 1018 O ASN A 809 -35.824 65.307 -6.653 1.00 4.31 O ATOM 1019 CB ASN A 809 -32.905 64.141 -7.721 1.00 34.24 C ATOM 1020 CG ASN A 809 -33.557 64.748 -8.948 1.00 32.20 C ATOM 1021 OD1 ASN A 809 -33.981 65.904 -8.932 1.00 31.51 O ATOM 1022 ND2 ASN A 809 -33.640 63.969 -10.020 1.00 72.40 N ATOM 0 H ASN A 809 -32.147 63.357 -5.511 1.00 70.43 H new ATOM 0 HA ASN A 809 -33.357 65.726 -6.340 1.00 70.42 H new ATOM 0 HB2 ASN A 809 -31.840 64.371 -7.728 1.00 34.24 H new ATOM 0 HB3 ASN A 809 -32.997 63.056 -7.763 1.00 34.24 H new ATOM 0 HD21 ASN A 809 -34.069 64.323 -10.875 1.00 72.40 H new ATOM 0 HD22 ASN A 809 -33.275 63.017 -9.988 1.00 72.40 H new ATOM 1029 N SER A 810 -35.412 63.149 -6.167 1.00 15.04 N ATOM 1030 CA SER A 810 -36.821 62.772 -6.144 1.00 62.32 C ATOM 1031 C SER A 810 -37.563 63.508 -5.033 1.00 22.55 C ATOM 1032 O SER A 810 -38.603 64.122 -5.267 1.00 20.03 O ATOM 1033 CB SER A 810 -36.963 61.260 -5.954 1.00 42.30 C ATOM 1034 OG SER A 810 -38.319 60.860 -6.044 1.00 12.20 O ATOM 0 H SER A 810 -34.767 62.383 -5.973 1.00 15.04 H new ATOM 0 HA SER A 810 -37.263 63.054 -7.100 1.00 62.32 H new ATOM 0 HB2 SER A 810 -36.376 60.739 -6.710 1.00 42.30 H new ATOM 0 HB3 SER A 810 -36.560 60.973 -4.983 1.00 42.30 H new ATOM 0 HG SER A 810 -38.383 59.890 -5.921 1.00 12.20 H new ATOM 1040 N ALA A 811 -37.019 63.440 -3.822 1.00 34.34 N ATOM 1041 CA ALA A 811 -37.627 64.100 -2.673 1.00 54.44 C ATOM 1042 C ALA A 811 -37.919 65.567 -2.975 1.00 31.55 C ATOM 1043 O ALA A 811 -39.042 66.036 -2.793 1.00 55.53 O ATOM 1044 CB ALA A 811 -36.724 63.979 -1.455 1.00 42.43 C ATOM 0 H ALA A 811 -36.158 62.935 -3.611 1.00 34.34 H new ATOM 0 HA ALA A 811 -38.574 63.604 -2.459 1.00 54.44 H new ATOM 0 HB1 ALA A 811 -37.191 64.476 -0.605 1.00 42.43 H new ATOM 0 HB2 ALA A 811 -36.570 62.926 -1.219 1.00 42.43 H new ATOM 0 HB3 ALA A 811 -35.763 64.448 -1.667 1.00 42.43 H new ATOM 1050 N VAL A 812 -36.900 66.285 -3.435 1.00 11.52 N ATOM 1051 CA VAL A 812 -37.048 67.699 -3.761 1.00 65.25 C ATOM 1052 C VAL A 812 -38.048 67.900 -4.894 1.00 61.53 C ATOM 1053 O VAL A 812 -38.815 68.861 -4.895 1.00 43.44 O ATOM 1054 CB VAL A 812 -35.699 68.325 -4.165 1.00 14.23 C ATOM 1055 CG1 VAL A 812 -35.878 69.792 -4.523 1.00 53.54 C ATOM 1056 CG2 VAL A 812 -34.681 68.161 -3.047 1.00 3.41 C ATOM 0 H VAL A 812 -35.964 65.912 -3.590 1.00 11.52 H new ATOM 0 HA VAL A 812 -37.417 68.195 -2.863 1.00 65.25 H new ATOM 0 HB VAL A 812 -35.325 67.804 -5.046 1.00 14.23 H new ATOM 0 HG11 VAL A 812 -34.915 70.218 -4.806 1.00 53.54 H new ATOM 0 HG12 VAL A 812 -36.573 69.881 -5.358 1.00 53.54 H new ATOM 0 HG13 VAL A 812 -36.274 70.331 -3.662 1.00 53.54 H new ATOM 0 HG21 VAL A 812 -33.734 68.609 -3.349 1.00 3.41 H new ATOM 0 HG22 VAL A 812 -35.046 68.656 -2.147 1.00 3.41 H new ATOM 0 HG23 VAL A 812 -34.532 67.101 -2.843 1.00 3.41 H new ATOM 1066 N ASN A 813 -38.034 66.984 -5.858 1.00 32.03 N ATOM 1067 CA ASN A 813 -38.941 67.060 -6.998 1.00 3.34 C ATOM 1068 C ASN A 813 -40.387 66.861 -6.556 1.00 55.03 C ATOM 1069 O ASN A 813 -41.304 67.485 -7.093 1.00 44.24 O ATOM 1070 CB ASN A 813 -38.566 66.010 -8.045 1.00 21.10 C ATOM 1071 CG ASN A 813 -39.344 66.177 -9.336 1.00 34.14 C ATOM 1072 OD1 ASN A 813 -39.182 67.168 -10.048 1.00 11.14 O ATOM 1073 ND2 ASN A 813 -40.196 65.205 -9.643 1.00 1.32 N ATOM 0 H ASN A 813 -37.405 66.181 -5.872 1.00 32.03 H new ATOM 0 HA ASN A 813 -38.848 68.052 -7.440 1.00 3.34 H new ATOM 0 HB2 ASN A 813 -37.499 66.076 -8.256 1.00 21.10 H new ATOM 0 HB3 ASN A 813 -38.749 65.015 -7.640 1.00 21.10 H new ATOM 0 HD21 ASN A 813 -40.748 65.262 -10.499 1.00 1.32 H new ATOM 0 HD22 ASN A 813 -40.298 64.401 -9.023 1.00 1.32 H new ATOM 1080 N LEU A 814 -40.586 65.988 -5.575 1.00 2.12 N ATOM 1081 CA LEU A 814 -41.921 65.706 -5.060 1.00 13.43 C ATOM 1082 C LEU A 814 -42.462 66.894 -4.270 1.00 53.13 C ATOM 1083 O LEU A 814 -43.626 67.272 -4.416 1.00 24.15 O ATOM 1084 CB LEU A 814 -41.895 64.460 -4.174 1.00 31.24 C ATOM 1085 CG LEU A 814 -43.220 63.709 -4.032 1.00 65.22 C ATOM 1086 CD1 LEU A 814 -43.416 62.749 -5.195 1.00 41.15 C ATOM 1087 CD2 LEU A 814 -43.270 62.962 -2.708 1.00 31.55 C ATOM 0 H LEU A 814 -39.839 65.463 -5.120 1.00 2.12 H new ATOM 0 HA LEU A 814 -42.580 65.527 -5.909 1.00 13.43 H new ATOM 0 HB2 LEU A 814 -41.151 63.771 -4.573 1.00 31.24 H new ATOM 0 HB3 LEU A 814 -41.558 64.753 -3.180 1.00 31.24 H new ATOM 0 HG LEU A 814 -44.032 64.436 -4.047 1.00 65.22 H new ATOM 0 HD11 LEU A 814 -44.364 62.223 -5.077 1.00 41.15 H new ATOM 0 HD12 LEU A 814 -43.425 63.308 -6.131 1.00 41.15 H new ATOM 0 HD13 LEU A 814 -42.600 62.026 -5.212 1.00 41.15 H new ATOM 0 HD21 LEU A 814 -44.220 62.434 -2.624 1.00 31.55 H new ATOM 0 HD22 LEU A 814 -42.450 62.245 -2.664 1.00 31.55 H new ATOM 0 HD23 LEU A 814 -43.176 63.672 -1.886 1.00 31.55 H new ATOM 1099 N LEU A 815 -41.611 67.480 -3.436 1.00 42.41 N ATOM 1100 CA LEU A 815 -42.002 68.628 -2.625 1.00 32.24 C ATOM 1101 C LEU A 815 -42.368 69.818 -3.505 1.00 51.23 C ATOM 1102 O LEU A 815 -43.436 70.410 -3.353 1.00 45.51 O ATOM 1103 CB LEU A 815 -40.870 69.013 -1.671 1.00 43.22 C ATOM 1104 CG LEU A 815 -40.720 68.145 -0.421 1.00 52.51 C ATOM 1105 CD1 LEU A 815 -39.494 68.564 0.375 1.00 31.35 C ATOM 1106 CD2 LEU A 815 -41.972 68.230 0.440 1.00 52.13 C ATOM 0 H LEU A 815 -40.645 67.179 -3.303 1.00 42.41 H new ATOM 0 HA LEU A 815 -42.880 68.348 -2.043 1.00 32.24 H new ATOM 0 HB2 LEU A 815 -39.931 68.984 -2.224 1.00 43.22 H new ATOM 0 HB3 LEU A 815 -41.023 70.045 -1.356 1.00 43.22 H new ATOM 0 HG LEU A 815 -40.588 67.109 -0.734 1.00 52.51 H new ATOM 0 HD11 LEU A 815 -39.403 67.936 1.261 1.00 31.35 H new ATOM 0 HD12 LEU A 815 -38.603 68.451 -0.243 1.00 31.35 H new ATOM 0 HD13 LEU A 815 -39.596 69.606 0.678 1.00 31.35 H new ATOM 0 HD21 LEU A 815 -41.848 67.606 1.325 1.00 52.13 H new ATOM 0 HD22 LEU A 815 -42.135 69.264 0.745 1.00 52.13 H new ATOM 0 HD23 LEU A 815 -42.831 67.881 -0.132 1.00 52.13 H new ATOM 1118 N ASN A 816 -41.475 70.162 -4.428 1.00 74.52 N ATOM 1119 CA ASN A 816 -41.705 71.280 -5.335 1.00 52.40 C ATOM 1120 C ASN A 816 -42.967 71.058 -6.164 1.00 3.50 C ATOM 1121 O ASN A 816 -43.898 71.862 -6.123 1.00 21.22 O ATOM 1122 CB ASN A 816 -40.501 71.470 -6.259 1.00 41.34 C ATOM 1123 CG ASN A 816 -40.130 72.931 -6.433 1.00 72.54 C ATOM 1124 OD1 ASN A 816 -40.435 73.542 -7.458 1.00 24.14 O ATOM 1125 ND2 ASN A 816 -39.469 73.496 -5.430 1.00 50.54 N ATOM 0 H ASN A 816 -40.586 69.682 -4.567 1.00 74.52 H new ATOM 0 HA ASN A 816 -41.840 72.180 -4.735 1.00 52.40 H new ATOM 0 HB2 ASN A 816 -39.647 70.927 -5.855 1.00 41.34 H new ATOM 0 HB3 ASN A 816 -40.723 71.036 -7.234 1.00 41.34 H new ATOM 0 HD21 ASN A 816 -39.192 74.476 -5.489 1.00 50.54 H new ATOM 0 HD22 ASN A 816 -39.238 72.950 -4.600 1.00 50.54 H new ATOM 1132 N ALA A 817 -42.989 69.963 -6.915 1.00 71.54 N ATOM 1133 CA ALA A 817 -44.137 69.633 -7.752 1.00 4.22 C ATOM 1134 C ALA A 817 -45.436 69.715 -6.958 1.00 20.41 C ATOM 1135 O ALA A 817 -46.439 70.242 -7.440 1.00 41.31 O ATOM 1136 CB ALA A 817 -43.970 68.246 -8.354 1.00 62.10 C ATOM 0 H ALA A 817 -42.225 69.289 -6.962 1.00 71.54 H new ATOM 0 HA ALA A 817 -44.189 70.363 -8.560 1.00 4.22 H new ATOM 0 HB1 ALA A 817 -44.834 68.013 -8.976 1.00 62.10 H new ATOM 0 HB2 ALA A 817 -43.067 68.220 -8.963 1.00 62.10 H new ATOM 0 HB3 ALA A 817 -43.890 67.510 -7.554 1.00 62.10 H new ATOM 1142 N THR A 818 -45.413 69.188 -5.737 1.00 45.24 N ATOM 1143 CA THR A 818 -46.589 69.200 -4.877 1.00 71.43 C ATOM 1144 C THR A 818 -47.013 70.626 -4.545 1.00 33.40 C ATOM 1145 O THR A 818 -48.203 70.941 -4.527 1.00 4.02 O ATOM 1146 CB THR A 818 -46.334 68.433 -3.566 1.00 3.32 C ATOM 1147 OG1 THR A 818 -46.138 67.042 -3.842 1.00 22.14 O ATOM 1148 CG2 THR A 818 -47.499 68.605 -2.603 1.00 4.42 C ATOM 0 H THR A 818 -44.592 68.748 -5.322 1.00 45.24 H new ATOM 0 HA THR A 818 -47.389 68.706 -5.428 1.00 71.43 H new ATOM 0 HB THR A 818 -45.436 68.841 -3.102 1.00 3.32 H new ATOM 0 HG1 THR A 818 -45.299 66.921 -4.333 1.00 22.14 H new ATOM 0 HG21 THR A 818 -47.296 68.054 -1.684 1.00 4.42 H new ATOM 0 HG22 THR A 818 -47.627 69.662 -2.372 1.00 4.42 H new ATOM 0 HG23 THR A 818 -48.410 68.222 -3.062 1.00 4.42 H new ATOM 1156 N ALA A 819 -46.033 71.484 -4.283 1.00 60.13 N ATOM 1157 CA ALA A 819 -46.305 72.878 -3.954 1.00 74.53 C ATOM 1158 C ALA A 819 -46.858 73.628 -5.161 1.00 12.41 C ATOM 1159 O ALA A 819 -47.682 74.532 -5.017 1.00 34.10 O ATOM 1160 CB ALA A 819 -45.043 73.555 -3.441 1.00 53.14 C ATOM 0 H ALA A 819 -45.043 71.238 -4.292 1.00 60.13 H new ATOM 0 HA ALA A 819 -47.060 72.900 -3.168 1.00 74.53 H new ATOM 0 HB1 ALA A 819 -45.261 74.595 -3.199 1.00 53.14 H new ATOM 0 HB2 ALA A 819 -44.692 73.040 -2.547 1.00 53.14 H new ATOM 0 HB3 ALA A 819 -44.271 73.515 -4.209 1.00 53.14 H new ATOM 1166 N ILE A 820 -46.399 73.250 -6.349 1.00 32.42 N ATOM 1167 CA ILE A 820 -46.849 73.888 -7.580 1.00 22.41 C ATOM 1168 C ILE A 820 -48.282 73.488 -7.914 1.00 50.23 C ATOM 1169 O ILE A 820 -49.050 74.285 -8.452 1.00 42.42 O ATOM 1170 CB ILE A 820 -45.937 73.526 -8.767 1.00 22.10 C ATOM 1171 CG1 ILE A 820 -44.514 74.029 -8.516 1.00 65.55 C ATOM 1172 CG2 ILE A 820 -46.491 74.110 -10.058 1.00 31.21 C ATOM 1173 CD1 ILE A 820 -44.431 75.522 -8.291 1.00 11.01 C ATOM 0 H ILE A 820 -45.716 72.505 -6.485 1.00 32.42 H new ATOM 0 HA ILE A 820 -46.804 74.964 -7.413 1.00 22.41 H new ATOM 0 HB ILE A 820 -45.907 72.441 -8.866 1.00 22.10 H new ATOM 0 HG12 ILE A 820 -44.104 73.516 -7.646 1.00 65.55 H new ATOM 0 HG13 ILE A 820 -43.888 73.763 -9.368 1.00 65.55 H new ATOM 0 HG21 ILE A 820 -45.835 73.846 -10.888 1.00 31.21 H new ATOM 0 HG22 ILE A 820 -47.488 73.708 -10.241 1.00 31.21 H new ATOM 0 HG23 ILE A 820 -46.547 75.195 -9.972 1.00 31.21 H new ATOM 0 HD11 ILE A 820 -43.393 75.807 -8.120 1.00 11.01 H new ATOM 0 HD12 ILE A 820 -44.810 76.044 -9.169 1.00 11.01 H new ATOM 0 HD13 ILE A 820 -45.030 75.793 -7.421 1.00 11.01 H new ATOM 1185 N ALA A 821 -48.636 72.249 -7.590 1.00 71.01 N ATOM 1186 CA ALA A 821 -49.978 71.745 -7.852 1.00 73.34 C ATOM 1187 C ALA A 821 -50.940 72.135 -6.735 1.00 43.51 C ATOM 1188 O ALA A 821 -52.147 72.240 -6.950 1.00 34.44 O ATOM 1189 CB ALA A 821 -49.950 70.233 -8.022 1.00 73.05 C ATOM 0 H ALA A 821 -48.012 71.576 -7.146 1.00 71.01 H new ATOM 0 HA ALA A 821 -50.334 72.198 -8.777 1.00 73.34 H new ATOM 0 HB1 ALA A 821 -50.959 69.870 -8.217 1.00 73.05 H new ATOM 0 HB2 ALA A 821 -49.303 69.973 -8.859 1.00 73.05 H new ATOM 0 HB3 ALA A 821 -49.568 69.771 -7.111 1.00 73.05 H new ATOM 1195 N VAL A 822 -50.396 72.350 -5.541 1.00 52.11 N ATOM 1196 CA VAL A 822 -51.206 72.730 -4.390 1.00 21.14 C ATOM 1197 C VAL A 822 -51.403 74.240 -4.331 1.00 11.54 C ATOM 1198 O VAL A 822 -52.390 74.727 -3.779 1.00 60.23 O ATOM 1199 CB VAL A 822 -50.565 72.255 -3.072 1.00 34.11 C ATOM 1200 CG1 VAL A 822 -49.543 73.268 -2.579 1.00 52.03 C ATOM 1201 CG2 VAL A 822 -51.635 72.009 -2.018 1.00 61.04 C ATOM 0 H VAL A 822 -49.398 72.267 -5.346 1.00 52.11 H new ATOM 0 HA VAL A 822 -52.175 72.245 -4.510 1.00 21.14 H new ATOM 0 HB VAL A 822 -50.047 71.314 -3.259 1.00 34.11 H new ATOM 0 HG11 VAL A 822 -49.101 72.915 -1.647 1.00 52.03 H new ATOM 0 HG12 VAL A 822 -48.761 73.390 -3.328 1.00 52.03 H new ATOM 0 HG13 VAL A 822 -50.034 74.226 -2.408 1.00 52.03 H new ATOM 0 HG21 VAL A 822 -51.165 71.674 -1.093 1.00 61.04 H new ATOM 0 HG22 VAL A 822 -52.182 72.933 -1.833 1.00 61.04 H new ATOM 0 HG23 VAL A 822 -52.325 71.243 -2.372 1.00 61.04 H new ATOM 1211 N ALA A 823 -50.457 74.978 -4.903 1.00 72.11 N ATOM 1212 CA ALA A 823 -50.528 76.434 -4.918 1.00 70.31 C ATOM 1213 C ALA A 823 -51.637 76.920 -5.845 1.00 61.10 C ATOM 1214 O ALA A 823 -52.153 78.025 -5.683 1.00 45.45 O ATOM 1215 CB ALA A 823 -49.190 77.023 -5.339 1.00 23.14 C ATOM 0 H ALA A 823 -49.632 74.591 -5.362 1.00 72.11 H new ATOM 0 HA ALA A 823 -50.760 76.772 -3.908 1.00 70.31 H new ATOM 0 HB1 ALA A 823 -49.257 78.111 -5.346 1.00 23.14 H new ATOM 0 HB2 ALA A 823 -48.418 76.712 -4.635 1.00 23.14 H new ATOM 0 HB3 ALA A 823 -48.935 76.669 -6.338 1.00 23.14 H new ATOM 1243 N THR A 826 -56.526 74.891 -3.590 1.00 41.43 N ATOM 1244 CA THR A 826 -56.618 74.793 -2.139 1.00 44.41 C ATOM 1245 C THR A 826 -57.238 73.467 -1.716 1.00 12.04 C ATOM 1246 O THR A 826 -57.114 73.052 -0.563 1.00 41.51 O ATOM 1247 CB THR A 826 -57.450 75.948 -1.549 1.00 65.15 C ATOM 1248 OG1 THR A 826 -57.587 75.780 -0.134 1.00 63.11 O ATOM 1249 CG2 THR A 826 -58.826 76.007 -2.194 1.00 52.10 C ATOM 0 HA THR A 826 -55.600 74.855 -1.753 1.00 44.41 H new ATOM 0 HB THR A 826 -56.930 76.884 -1.754 1.00 65.15 H new ATOM 0 HG1 THR A 826 -57.405 74.847 0.104 1.00 63.11 H new ATOM 0 HG21 THR A 826 -59.395 76.830 -1.762 1.00 52.10 H new ATOM 0 HG22 THR A 826 -58.718 76.164 -3.267 1.00 52.10 H new ATOM 0 HG23 THR A 826 -59.352 75.069 -2.016 1.00 52.10 H new ATOM 1257 N ASP A 827 -57.906 72.805 -2.654 1.00 41.43 N ATOM 1258 CA ASP A 827 -58.545 71.524 -2.378 1.00 61.25 C ATOM 1259 C ASP A 827 -57.559 70.551 -1.739 1.00 44.32 C ATOM 1260 O ASP A 827 -57.904 69.825 -0.807 1.00 2.11 O ATOM 1261 CB ASP A 827 -59.110 70.924 -3.667 1.00 23.41 C ATOM 1262 CG ASP A 827 -60.024 69.744 -3.404 1.00 34.35 C ATOM 1263 OD1 ASP A 827 -61.251 69.955 -3.299 1.00 50.02 O ATOM 1264 OD2 ASP A 827 -59.514 68.609 -3.303 1.00 22.35 O ATOM 0 H ASP A 827 -58.019 73.135 -3.613 1.00 41.43 H new ATOM 0 HA ASP A 827 -59.362 71.697 -1.678 1.00 61.25 H new ATOM 0 HB2 ASP A 827 -59.660 71.692 -4.211 1.00 23.41 H new ATOM 0 HB3 ASP A 827 -58.287 70.607 -4.308 1.00 23.41 H new ATOM 1269 N ARG A 828 -56.331 70.542 -2.248 1.00 3.24 N ATOM 1270 CA ARG A 828 -55.295 69.657 -1.728 1.00 12.21 C ATOM 1271 C ARG A 828 -55.042 69.927 -0.247 1.00 73.04 C ATOM 1272 O ARG A 828 -55.149 69.027 0.586 1.00 63.35 O ATOM 1273 CB ARG A 828 -53.998 69.836 -2.519 1.00 21.33 C ATOM 1274 CG ARG A 828 -53.956 69.034 -3.810 1.00 14.35 C ATOM 1275 CD ARG A 828 -52.529 68.697 -4.210 1.00 23.31 C ATOM 1276 NE ARG A 828 -51.864 67.861 -3.214 1.00 31.51 N ATOM 1277 CZ ARG A 828 -50.787 67.127 -3.471 1.00 71.30 C ATOM 1278 NH1 ARG A 828 -50.256 67.126 -4.686 1.00 3.33 N ATOM 1279 NH2 ARG A 828 -50.239 66.392 -2.512 1.00 32.42 N ATOM 0 H ARG A 828 -56.029 71.137 -3.019 1.00 3.24 H new ATOM 0 HA ARG A 828 -55.641 68.629 -1.838 1.00 12.21 H new ATOM 0 HB2 ARG A 828 -53.868 70.893 -2.753 1.00 21.33 H new ATOM 0 HB3 ARG A 828 -53.156 69.543 -1.892 1.00 21.33 H new ATOM 0 HG2 ARG A 828 -54.527 68.114 -3.687 1.00 14.35 H new ATOM 0 HG3 ARG A 828 -54.434 69.602 -4.608 1.00 14.35 H new ATOM 0 HD2 ARG A 828 -52.534 68.182 -5.171 1.00 23.31 H new ATOM 0 HD3 ARG A 828 -51.963 69.619 -4.346 1.00 23.31 H new ATOM 0 HE ARG A 828 -52.248 67.840 -2.269 1.00 31.51 H new ATOM 0 HH11 ARG A 828 -50.674 67.690 -5.426 1.00 3.33 H new ATOM 0 HH12 ARG A 828 -49.429 66.562 -4.881 1.00 3.33 H new ATOM 0 HH21 ARG A 828 -50.645 66.390 -1.576 1.00 32.42 H new ATOM 0 HH22 ARG A 828 -49.412 65.829 -2.711 1.00 32.42 H new ATOM 1293 N VAL A 829 -54.706 71.173 0.073 1.00 73.41 N ATOM 1294 CA VAL A 829 -54.439 71.561 1.452 1.00 3.54 C ATOM 1295 C VAL A 829 -55.608 71.201 2.362 1.00 52.44 C ATOM 1296 O VAL A 829 -55.414 70.745 3.489 1.00 45.52 O ATOM 1297 CB VAL A 829 -54.161 73.072 1.566 1.00 44.22 C ATOM 1298 CG1 VAL A 829 -53.879 73.456 3.010 1.00 1.53 C ATOM 1299 CG2 VAL A 829 -53.002 73.469 0.664 1.00 4.30 C ATOM 0 H VAL A 829 -54.612 71.930 -0.604 1.00 73.41 H new ATOM 0 HA VAL A 829 -53.553 71.010 1.769 1.00 3.54 H new ATOM 0 HB VAL A 829 -55.049 73.613 1.239 1.00 44.22 H new ATOM 0 HG11 VAL A 829 -53.685 74.527 3.070 1.00 1.53 H new ATOM 0 HG12 VAL A 829 -54.742 73.208 3.628 1.00 1.53 H new ATOM 0 HG13 VAL A 829 -53.007 72.909 3.368 1.00 1.53 H new ATOM 0 HG21 VAL A 829 -52.819 74.540 0.757 1.00 4.30 H new ATOM 0 HG22 VAL A 829 -52.107 72.921 0.959 1.00 4.30 H new ATOM 0 HG23 VAL A 829 -53.248 73.231 -0.371 1.00 4.30 H new ATOM 1309 N ILE A 830 -56.823 71.409 1.864 1.00 23.32 N ATOM 1310 CA ILE A 830 -58.024 71.104 2.631 1.00 10.25 C ATOM 1311 C ILE A 830 -58.134 69.609 2.911 1.00 41.15 C ATOM 1312 O ILE A 830 -58.186 69.186 4.065 1.00 71.23 O ATOM 1313 CB ILE A 830 -59.294 71.573 1.898 1.00 75.22 C ATOM 1314 CG1 ILE A 830 -59.240 73.082 1.650 1.00 24.33 C ATOM 1315 CG2 ILE A 830 -60.535 71.207 2.699 1.00 24.25 C ATOM 1316 CD1 ILE A 830 -60.108 73.537 0.498 1.00 1.14 C ATOM 0 H ILE A 830 -57.001 71.787 0.934 1.00 23.32 H new ATOM 0 HA ILE A 830 -57.940 71.642 3.575 1.00 10.25 H new ATOM 0 HB ILE A 830 -59.345 71.067 0.934 1.00 75.22 H new ATOM 0 HG12 ILE A 830 -59.551 73.602 2.556 1.00 24.33 H new ATOM 0 HG13 ILE A 830 -58.208 73.373 1.454 1.00 24.33 H new ATOM 0 HG21 ILE A 830 -61.424 71.545 2.167 1.00 24.25 H new ATOM 0 HG22 ILE A 830 -60.579 70.126 2.828 1.00 24.25 H new ATOM 0 HG23 ILE A 830 -60.492 71.687 3.676 1.00 24.25 H new ATOM 0 HD11 ILE A 830 -60.020 74.617 0.381 1.00 1.14 H new ATOM 0 HD12 ILE A 830 -59.783 73.045 -0.419 1.00 1.14 H new ATOM 0 HD13 ILE A 830 -61.147 73.278 0.701 1.00 1.14 H new ATOM 1328 N GLU A 831 -58.167 68.815 1.845 1.00 22.41 N ATOM 1329 CA GLU A 831 -58.269 67.366 1.976 1.00 33.13 C ATOM 1330 C GLU A 831 -57.199 66.828 2.922 1.00 14.22 C ATOM 1331 O GLU A 831 -57.446 65.901 3.693 1.00 23.51 O ATOM 1332 CB GLU A 831 -58.137 66.697 0.606 1.00 35.05 C ATOM 1333 CG GLU A 831 -59.155 67.186 -0.410 1.00 50.33 C ATOM 1334 CD GLU A 831 -60.259 66.178 -0.662 1.00 72.03 C ATOM 1335 OE1 GLU A 831 -60.109 65.351 -1.586 1.00 0.12 O ATOM 1336 OE2 GLU A 831 -61.274 66.216 0.065 1.00 2.10 O ATOM 0 H GLU A 831 -58.125 69.150 0.883 1.00 22.41 H new ATOM 0 HA GLU A 831 -59.249 67.133 2.393 1.00 33.13 H new ATOM 0 HB2 GLU A 831 -57.134 66.876 0.218 1.00 35.05 H new ATOM 0 HB3 GLU A 831 -58.244 65.619 0.726 1.00 35.05 H new ATOM 0 HG2 GLU A 831 -59.594 68.120 -0.058 1.00 50.33 H new ATOM 0 HG3 GLU A 831 -58.648 67.406 -1.349 1.00 50.33 H new ATOM 1343 N VAL A 832 -56.010 67.418 2.857 1.00 64.52 N ATOM 1344 CA VAL A 832 -54.901 66.999 3.707 1.00 54.12 C ATOM 1345 C VAL A 832 -55.123 67.432 5.152 1.00 52.24 C ATOM 1346 O VAL A 832 -54.992 66.632 6.079 1.00 64.34 O ATOM 1347 CB VAL A 832 -53.563 67.577 3.209 1.00 31.40 C ATOM 1348 CG1 VAL A 832 -52.425 67.154 4.125 1.00 31.43 C ATOM 1349 CG2 VAL A 832 -53.295 67.141 1.776 1.00 33.34 C ATOM 0 H VAL A 832 -55.789 68.187 2.225 1.00 64.52 H new ATOM 0 HA VAL A 832 -54.858 65.911 3.659 1.00 54.12 H new ATOM 0 HB VAL A 832 -53.627 68.665 3.228 1.00 31.40 H new ATOM 0 HG11 VAL A 832 -51.488 67.572 3.757 1.00 31.43 H new ATOM 0 HG12 VAL A 832 -52.615 67.520 5.134 1.00 31.43 H new ATOM 0 HG13 VAL A 832 -52.356 66.066 4.141 1.00 31.43 H new ATOM 0 HG21 VAL A 832 -52.346 67.558 1.440 1.00 33.34 H new ATOM 0 HG22 VAL A 832 -53.250 66.053 1.729 1.00 33.34 H new ATOM 0 HG23 VAL A 832 -54.097 67.499 1.131 1.00 33.34 H new ATOM 1359 N LEU A 833 -55.461 68.704 5.337 1.00 20.50 N ATOM 1360 CA LEU A 833 -55.702 69.244 6.670 1.00 13.52 C ATOM 1361 C LEU A 833 -56.698 68.380 7.437 1.00 52.04 C ATOM 1362 O LEU A 833 -56.454 68.004 8.583 1.00 51.04 O ATOM 1363 CB LEU A 833 -56.224 70.679 6.573 1.00 2.22 C ATOM 1364 CG LEU A 833 -55.992 71.562 7.800 1.00 33.11 C ATOM 1365 CD1 LEU A 833 -54.507 71.668 8.109 1.00 30.41 C ATOM 1366 CD2 LEU A 833 -56.594 72.943 7.585 1.00 43.15 C ATOM 0 H LEU A 833 -55.574 69.380 4.581 1.00 20.50 H new ATOM 0 HA LEU A 833 -54.756 69.243 7.212 1.00 13.52 H new ATOM 0 HB2 LEU A 833 -55.756 71.157 5.712 1.00 2.22 H new ATOM 0 HB3 LEU A 833 -57.295 70.642 6.374 1.00 2.22 H new ATOM 0 HG LEU A 833 -56.487 71.101 8.654 1.00 33.11 H new ATOM 0 HD11 LEU A 833 -54.362 72.300 8.985 1.00 30.41 H new ATOM 0 HD12 LEU A 833 -54.105 70.675 8.308 1.00 30.41 H new ATOM 0 HD13 LEU A 833 -53.988 72.105 7.256 1.00 30.41 H new ATOM 0 HD21 LEU A 833 -56.419 73.558 8.468 1.00 43.15 H new ATOM 0 HD22 LEU A 833 -56.128 73.412 6.718 1.00 43.15 H new ATOM 0 HD23 LEU A 833 -57.666 72.850 7.414 1.00 43.15 H new ATOM 1378 N GLN A 834 -57.819 68.067 6.795 1.00 53.53 N ATOM 1379 CA GLN A 834 -58.851 67.246 7.416 1.00 31.31 C ATOM 1380 C GLN A 834 -58.387 65.799 7.550 1.00 14.14 C ATOM 1381 O GLN A 834 -58.616 65.156 8.575 1.00 41.43 O ATOM 1382 CB GLN A 834 -60.142 67.306 6.598 1.00 13.01 C ATOM 1383 CG GLN A 834 -59.973 66.847 5.159 1.00 63.30 C ATOM 1384 CD GLN A 834 -61.038 67.407 4.238 1.00 54.20 C ATOM 1385 OE1 GLN A 834 -61.380 68.588 4.311 1.00 42.01 O ATOM 1386 NE2 GLN A 834 -61.571 66.561 3.364 1.00 44.01 N ATOM 0 H GLN A 834 -58.035 68.370 5.845 1.00 53.53 H new ATOM 0 HA GLN A 834 -59.043 67.641 8.413 1.00 31.31 H new ATOM 0 HB2 GLN A 834 -60.898 66.687 7.082 1.00 13.01 H new ATOM 0 HB3 GLN A 834 -60.518 68.329 6.602 1.00 13.01 H new ATOM 0 HG2 GLN A 834 -58.990 67.150 4.798 1.00 63.30 H new ATOM 0 HG3 GLN A 834 -60.003 65.758 5.123 1.00 63.30 H new ATOM 0 HE21 GLN A 834 -61.258 65.591 3.338 1.00 44.01 H new ATOM 0 HE22 GLN A 834 -62.293 66.882 2.719 1.00 44.01 H new ATOM 1395 N ALA A 835 -57.735 65.293 6.509 1.00 73.21 N ATOM 1396 CA ALA A 835 -57.238 63.923 6.512 1.00 70.45 C ATOM 1397 C ALA A 835 -56.323 63.673 7.706 1.00 75.21 C ATOM 1398 O ALA A 835 -56.518 62.720 8.460 1.00 71.00 O ATOM 1399 CB ALA A 835 -56.505 63.625 5.212 1.00 73.32 C ATOM 0 H ALA A 835 -57.539 65.811 5.653 1.00 73.21 H new ATOM 0 HA ALA A 835 -58.093 63.253 6.597 1.00 70.45 H new ATOM 0 HB1 ALA A 835 -56.139 62.598 5.228 1.00 73.32 H new ATOM 0 HB2 ALA A 835 -57.187 63.754 4.372 1.00 73.32 H new ATOM 0 HB3 ALA A 835 -55.663 64.309 5.104 1.00 73.32 H new ATOM 1405 N ALA A 836 -55.325 64.534 7.871 1.00 12.44 N ATOM 1406 CA ALA A 836 -54.382 64.407 8.975 1.00 45.31 C ATOM 1407 C ALA A 836 -55.060 64.686 10.312 1.00 23.20 C ATOM 1408 O ALA A 836 -54.952 63.896 11.250 1.00 21.23 O ATOM 1409 CB ALA A 836 -53.203 65.348 8.773 1.00 50.25 C ATOM 0 H ALA A 836 -55.148 65.327 7.254 1.00 12.44 H new ATOM 0 HA ALA A 836 -54.016 63.380 8.990 1.00 45.31 H new ATOM 0 HB1 ALA A 836 -52.507 65.243 9.605 1.00 50.25 H new ATOM 0 HB2 ALA A 836 -52.695 65.100 7.841 1.00 50.25 H new ATOM 0 HB3 ALA A 836 -53.562 66.376 8.728 1.00 50.25 H new ATOM 1415 N TYR A 837 -55.757 65.813 10.393 1.00 54.25 N ATOM 1416 CA TYR A 837 -56.451 66.197 11.616 1.00 4.34 C ATOM 1417 C TYR A 837 -57.347 65.067 12.113 1.00 64.41 C ATOM 1418 O TYR A 837 -57.280 64.672 13.277 1.00 3.32 O ATOM 1419 CB TYR A 837 -57.284 67.458 11.381 1.00 35.20 C ATOM 1420 CG TYR A 837 -57.793 68.094 12.655 1.00 74.21 C ATOM 1421 CD1 TYR A 837 -59.152 68.303 12.856 1.00 52.03 C ATOM 1422 CD2 TYR A 837 -56.915 68.485 13.658 1.00 32.42 C ATOM 1423 CE1 TYR A 837 -59.621 68.884 14.018 1.00 53.54 C ATOM 1424 CE2 TYR A 837 -57.375 69.065 14.824 1.00 15.51 C ATOM 1425 CZ TYR A 837 -58.729 69.264 14.999 1.00 72.31 C ATOM 1426 OH TYR A 837 -59.193 69.842 16.158 1.00 23.14 O ATOM 0 H TYR A 837 -55.857 66.477 9.626 1.00 54.25 H new ATOM 0 HA TYR A 837 -55.700 66.403 12.379 1.00 4.34 H new ATOM 0 HB2 TYR A 837 -56.681 68.185 10.837 1.00 35.20 H new ATOM 0 HB3 TYR A 837 -58.133 67.209 10.745 1.00 35.20 H new ATOM 0 HD1 TYR A 837 -59.854 68.006 12.090 1.00 52.03 H new ATOM 0 HD2 TYR A 837 -55.854 68.333 13.524 1.00 32.42 H new ATOM 0 HE1 TYR A 837 -60.681 69.040 14.158 1.00 53.54 H new ATOM 0 HE2 TYR A 837 -56.679 69.361 15.595 1.00 15.51 H new ATOM 0 HH TYR A 837 -58.437 70.049 16.746 1.00 23.14 H new ATOM 1436 N ARG A 838 -58.184 64.549 11.220 1.00 13.13 N ATOM 1437 CA ARG A 838 -59.095 63.464 11.566 1.00 4.23 C ATOM 1438 C ARG A 838 -58.323 62.183 11.870 1.00 52.13 C ATOM 1439 O ARG A 838 -58.676 61.435 12.781 1.00 12.31 O ATOM 1440 CB ARG A 838 -60.085 63.218 10.427 1.00 71.03 C ATOM 1441 CG ARG A 838 -61.224 64.223 10.382 1.00 40.53 C ATOM 1442 CD ARG A 838 -62.423 63.674 9.625 1.00 61.33 C ATOM 1443 NE ARG A 838 -63.429 64.701 9.373 1.00 15.51 N ATOM 1444 CZ ARG A 838 -64.213 65.209 10.318 1.00 52.43 C ATOM 1445 NH1 ARG A 838 -64.107 64.787 11.570 1.00 3.21 N ATOM 1446 NH2 ARG A 838 -65.106 66.142 10.010 1.00 4.25 N ATOM 0 H ARG A 838 -58.250 64.863 10.252 1.00 13.13 H new ATOM 0 HA ARG A 838 -59.646 63.756 12.460 1.00 4.23 H new ATOM 0 HB2 ARG A 838 -59.549 63.247 9.478 1.00 71.03 H new ATOM 0 HB3 ARG A 838 -60.500 62.215 10.528 1.00 71.03 H new ATOM 0 HG2 ARG A 838 -61.522 64.483 11.398 1.00 40.53 H new ATOM 0 HG3 ARG A 838 -60.881 65.142 9.906 1.00 40.53 H new ATOM 0 HD2 ARG A 838 -62.090 63.252 8.677 1.00 61.33 H new ATOM 0 HD3 ARG A 838 -62.871 62.861 10.196 1.00 61.33 H new ATOM 0 HE ARG A 838 -63.536 65.048 8.420 1.00 15.51 H new ATOM 0 HH11 ARG A 838 -63.422 64.070 11.810 1.00 3.21 H new ATOM 0 HH12 ARG A 838 -64.710 65.179 12.293 1.00 3.21 H new ATOM 0 HH21 ARG A 838 -65.191 66.469 9.048 1.00 4.25 H new ATOM 0 HH22 ARG A 838 -65.708 66.532 10.736 1.00 4.25 H new ATOM 1460 N ALA A 839 -57.269 61.937 11.099 1.00 61.20 N ATOM 1461 CA ALA A 839 -56.447 60.748 11.286 1.00 21.41 C ATOM 1462 C ALA A 839 -55.877 60.691 12.700 1.00 73.15 C ATOM 1463 O ALA A 839 -55.802 59.622 13.306 1.00 70.22 O ATOM 1464 CB ALA A 839 -55.323 60.716 10.261 1.00 75.25 C ATOM 0 H ALA A 839 -56.964 62.545 10.339 1.00 61.20 H new ATOM 0 HA ALA A 839 -57.081 59.873 11.142 1.00 21.41 H new ATOM 0 HB1 ALA A 839 -54.717 59.823 10.413 1.00 75.25 H new ATOM 0 HB2 ALA A 839 -55.747 60.701 9.257 1.00 75.25 H new ATOM 0 HB3 ALA A 839 -54.699 61.602 10.378 1.00 75.25 H new ATOM 1470 N ILE A 840 -55.477 61.847 13.218 1.00 71.01 N ATOM 1471 CA ILE A 840 -54.915 61.928 14.560 1.00 24.22 C ATOM 1472 C ILE A 840 -56.012 62.083 15.608 1.00 41.44 C ATOM 1473 O ILE A 840 -55.838 61.702 16.765 1.00 60.40 O ATOM 1474 CB ILE A 840 -53.928 63.104 14.687 1.00 34.25 C ATOM 1475 CG1 ILE A 840 -53.232 63.068 16.049 1.00 4.42 C ATOM 1476 CG2 ILE A 840 -54.654 64.427 14.492 1.00 63.22 C ATOM 1477 CD1 ILE A 840 -53.925 63.901 17.105 1.00 72.13 C ATOM 0 H ILE A 840 -55.532 62.740 12.729 1.00 71.01 H new ATOM 0 HA ILE A 840 -54.380 60.995 14.734 1.00 24.22 H new ATOM 0 HB ILE A 840 -53.170 63.010 13.910 1.00 34.25 H new ATOM 0 HG12 ILE A 840 -53.176 62.035 16.392 1.00 4.42 H new ATOM 0 HG13 ILE A 840 -52.207 63.422 15.934 1.00 4.42 H new ATOM 0 HG21 ILE A 840 -53.944 65.249 14.585 1.00 63.22 H new ATOM 0 HG22 ILE A 840 -55.109 64.450 13.502 1.00 63.22 H new ATOM 0 HG23 ILE A 840 -55.430 64.531 15.250 1.00 63.22 H new ATOM 0 HD11 ILE A 840 -53.376 63.828 18.044 1.00 72.13 H new ATOM 0 HD12 ILE A 840 -53.958 64.942 16.784 1.00 72.13 H new ATOM 0 HD13 ILE A 840 -54.941 63.534 17.249 1.00 72.13 H new ATOM 1489 N ARG A 841 -57.143 62.645 15.193 1.00 43.11 N ATOM 1490 CA ARG A 841 -58.269 62.851 16.095 1.00 33.31 C ATOM 1491 C ARG A 841 -58.971 61.530 16.398 1.00 11.13 C ATOM 1492 O ARG A 841 -59.577 61.366 17.457 1.00 34.05 O ATOM 1493 CB ARG A 841 -59.264 63.841 15.486 1.00 22.11 C ATOM 1494 CG ARG A 841 -58.903 65.296 15.734 1.00 41.54 C ATOM 1495 CD ARG A 841 -59.129 65.687 17.186 1.00 41.43 C ATOM 1496 NE ARG A 841 -60.534 65.582 17.568 1.00 14.23 N ATOM 1497 CZ ARG A 841 -61.056 66.196 18.625 1.00 74.15 C ATOM 1498 NH1 ARG A 841 -60.293 66.955 19.399 1.00 71.23 N ATOM 1499 NH2 ARG A 841 -62.345 66.051 18.908 1.00 43.43 N ATOM 0 H ARG A 841 -57.303 62.966 14.238 1.00 43.11 H new ATOM 0 HA ARG A 841 -57.884 63.261 17.028 1.00 33.31 H new ATOM 0 HB2 ARG A 841 -59.324 63.668 14.411 1.00 22.11 H new ATOM 0 HB3 ARG A 841 -60.255 63.646 15.896 1.00 22.11 H new ATOM 0 HG2 ARG A 841 -57.859 65.463 15.470 1.00 41.54 H new ATOM 0 HG3 ARG A 841 -59.502 65.936 15.086 1.00 41.54 H new ATOM 0 HD2 ARG A 841 -58.529 65.046 17.832 1.00 41.43 H new ATOM 0 HD3 ARG A 841 -58.786 66.709 17.344 1.00 41.43 H new ATOM 0 HE ARG A 841 -61.149 65.006 16.993 1.00 14.23 H new ATOM 0 HH11 ARG A 841 -59.302 67.069 19.184 1.00 71.23 H new ATOM 0 HH12 ARG A 841 -60.696 67.425 20.209 1.00 71.23 H new ATOM 0 HH21 ARG A 841 -62.935 65.468 18.314 1.00 43.43 H new ATOM 0 HH22 ARG A 841 -62.745 66.522 19.719 1.00 43.43 H new ATOM 1513 N HIS A 842 -58.885 60.591 15.461 1.00 0.31 N ATOM 1514 CA HIS A 842 -59.512 59.285 15.628 1.00 64.20 C ATOM 1515 C HIS A 842 -58.460 58.203 15.858 1.00 52.33 C ATOM 1516 O HIS A 842 -58.711 57.219 16.554 1.00 4.00 O ATOM 1517 CB HIS A 842 -60.355 58.940 14.400 1.00 32.23 C ATOM 1518 CG HIS A 842 -61.265 60.048 13.968 1.00 0.10 C ATOM 1519 ND1 HIS A 842 -62.096 60.722 14.838 1.00 73.13 N ATOM 1520 CD2 HIS A 842 -61.470 60.601 12.750 1.00 61.04 C ATOM 1521 CE1 HIS A 842 -62.775 61.640 14.173 1.00 44.03 C ATOM 1522 NE2 HIS A 842 -62.413 61.588 12.903 1.00 24.45 N ATOM 0 H HIS A 842 -58.387 60.710 14.579 1.00 0.31 H new ATOM 0 HA HIS A 842 -60.160 59.329 16.503 1.00 64.20 H new ATOM 0 HB2 HIS A 842 -59.691 58.683 13.574 1.00 32.23 H new ATOM 0 HB3 HIS A 842 -60.952 58.054 14.616 1.00 32.23 H new ATOM 0 HD1 HIS A 842 -62.174 60.540 15.839 1.00 73.13 H new ATOM 0 HD2 HIS A 842 -60.983 60.319 11.829 1.00 61.04 H new ATOM 0 HE1 HIS A 842 -63.502 62.318 14.595 1.00 44.03 H new ATOM 1630 N ARG A 848 -45.911 61.839 16.933 1.00 23.42 N ATOM 1631 CA ARG A 848 -44.627 61.566 17.569 1.00 72.15 C ATOM 1632 C ARG A 848 -43.498 61.585 16.543 1.00 43.53 C ATOM 1633 O ARG A 848 -42.593 62.417 16.618 1.00 74.31 O ATOM 1634 CB ARG A 848 -44.663 60.211 18.278 1.00 62.02 C ATOM 1635 CG ARG A 848 -45.230 60.276 19.686 1.00 34.43 C ATOM 1636 CD ARG A 848 -44.308 61.039 20.624 1.00 31.21 C ATOM 1637 NE ARG A 848 -44.816 61.061 21.993 1.00 12.31 N ATOM 1638 CZ ARG A 848 -45.879 61.763 22.371 1.00 4.32 C ATOM 1639 NH1 ARG A 848 -46.542 62.496 21.488 1.00 41.15 N ATOM 1640 NH2 ARG A 848 -46.280 61.733 23.636 1.00 61.34 N ATOM 0 HA ARG A 848 -44.440 62.348 18.305 1.00 72.15 H new ATOM 0 HB2 ARG A 848 -45.260 59.517 17.687 1.00 62.02 H new ATOM 0 HB3 ARG A 848 -43.652 59.806 18.321 1.00 62.02 H new ATOM 0 HG2 ARG A 848 -46.208 60.758 19.664 1.00 34.43 H new ATOM 0 HG3 ARG A 848 -45.381 59.265 20.065 1.00 34.43 H new ATOM 0 HD2 ARG A 848 -43.319 60.581 20.612 1.00 31.21 H new ATOM 0 HD3 ARG A 848 -44.190 62.061 20.265 1.00 31.21 H new ATOM 0 HE ARG A 848 -44.328 60.507 22.697 1.00 12.31 H new ATOM 0 HH11 ARG A 848 -46.237 62.522 20.515 1.00 41.15 H new ATOM 0 HH12 ARG A 848 -47.358 63.034 21.781 1.00 41.15 H new ATOM 0 HH21 ARG A 848 -45.772 61.171 24.319 1.00 61.34 H new ATOM 0 HH22 ARG A 848 -47.096 62.272 23.925 1.00 61.34 H new ATOM 1654 N GLN A 849 -43.558 60.664 15.586 1.00 3.35 N ATOM 1655 CA GLN A 849 -42.539 60.576 14.547 1.00 71.31 C ATOM 1656 C GLN A 849 -42.445 61.881 13.764 1.00 12.21 C ATOM 1657 O GLN A 849 -41.354 62.336 13.425 1.00 63.14 O ATOM 1658 CB GLN A 849 -42.850 59.418 13.596 1.00 11.41 C ATOM 1659 CG GLN A 849 -41.813 59.236 12.500 1.00 4.01 C ATOM 1660 CD GLN A 849 -40.392 59.316 13.022 1.00 23.54 C ATOM 1661 OE1 GLN A 849 -40.102 58.876 14.136 1.00 43.34 O ATOM 1662 NE2 GLN A 849 -39.496 59.878 12.219 1.00 31.22 N ATOM 0 H GLN A 849 -44.301 59.969 15.509 1.00 3.35 H new ATOM 0 HA GLN A 849 -41.579 60.394 15.029 1.00 71.31 H new ATOM 0 HB2 GLN A 849 -42.924 58.496 14.172 1.00 11.41 H new ATOM 0 HB3 GLN A 849 -43.825 59.587 13.138 1.00 11.41 H new ATOM 0 HG2 GLN A 849 -41.965 58.270 12.018 1.00 4.01 H new ATOM 0 HG3 GLN A 849 -41.959 60.000 11.736 1.00 4.01 H new ATOM 0 HE21 GLN A 849 -39.780 60.229 11.304 1.00 31.22 H new ATOM 0 HE22 GLN A 849 -38.524 59.959 12.517 1.00 31.22 H new ATOM 1671 N GLY A 850 -43.598 62.480 13.480 1.00 31.13 N ATOM 1672 CA GLY A 850 -43.623 63.727 12.739 1.00 15.20 C ATOM 1673 C GLY A 850 -42.977 64.867 13.500 1.00 5.32 C ATOM 1674 O GLY A 850 -42.076 65.533 12.988 1.00 3.43 O ATOM 0 H GLY A 850 -44.515 62.124 13.750 1.00 31.13 H new ATOM 0 HA2 GLY A 850 -43.108 63.591 11.788 1.00 15.20 H new ATOM 0 HA3 GLY A 850 -44.656 63.988 12.508 1.00 15.20 H new ATOM 1678 N LEU A 851 -43.437 65.095 14.725 1.00 23.45 N ATOM 1679 CA LEU A 851 -42.898 66.164 15.559 1.00 61.11 C ATOM 1680 C LEU A 851 -41.388 66.019 15.722 1.00 52.22 C ATOM 1681 O LEU A 851 -40.644 66.990 15.587 1.00 54.14 O ATOM 1682 CB LEU A 851 -43.573 66.157 16.931 1.00 14.14 C ATOM 1683 CG LEU A 851 -43.314 67.379 17.813 1.00 24.24 C ATOM 1684 CD1 LEU A 851 -44.051 68.594 17.273 1.00 34.10 C ATOM 1685 CD2 LEU A 851 -43.727 67.097 19.250 1.00 34.24 C ATOM 0 H LEU A 851 -44.182 64.554 15.163 1.00 23.45 H new ATOM 0 HA LEU A 851 -43.102 67.114 15.065 1.00 61.11 H new ATOM 0 HB2 LEU A 851 -44.649 66.062 16.784 1.00 14.14 H new ATOM 0 HB3 LEU A 851 -43.245 65.268 17.470 1.00 14.14 H new ATOM 0 HG LEU A 851 -42.245 67.593 17.799 1.00 24.24 H new ATOM 0 HD11 LEU A 851 -43.854 69.453 17.914 1.00 34.10 H new ATOM 0 HD12 LEU A 851 -43.706 68.809 16.262 1.00 34.10 H new ATOM 0 HD13 LEU A 851 -45.122 68.392 17.256 1.00 34.10 H new ATOM 0 HD21 LEU A 851 -43.535 67.978 19.863 1.00 34.24 H new ATOM 0 HD22 LEU A 851 -44.790 66.856 19.283 1.00 34.24 H new ATOM 0 HD23 LEU A 851 -43.152 66.255 19.635 1.00 34.24 H new ATOM 1697 N GLU A 852 -40.943 64.800 16.011 1.00 54.32 N ATOM 1698 CA GLU A 852 -39.522 64.529 16.190 1.00 1.24 C ATOM 1699 C GLU A 852 -38.771 64.664 14.869 1.00 72.13 C ATOM 1700 O GLU A 852 -37.630 65.124 14.835 1.00 23.32 O ATOM 1701 CB GLU A 852 -39.316 63.126 16.766 1.00 52.43 C ATOM 1702 CG GLU A 852 -39.747 62.994 18.217 1.00 42.51 C ATOM 1703 CD GLU A 852 -39.016 61.882 18.944 1.00 42.35 C ATOM 1704 OE1 GLU A 852 -39.017 61.889 20.192 1.00 14.45 O ATOM 1705 OE2 GLU A 852 -38.442 61.006 18.264 1.00 32.31 O ATOM 0 H GLU A 852 -41.546 63.985 16.126 1.00 54.32 H new ATOM 0 HA GLU A 852 -39.124 65.263 16.890 1.00 1.24 H new ATOM 0 HB2 GLU A 852 -39.874 62.410 16.163 1.00 52.43 H new ATOM 0 HB3 GLU A 852 -38.262 62.860 16.683 1.00 52.43 H new ATOM 0 HG2 GLU A 852 -39.569 63.938 18.732 1.00 42.51 H new ATOM 0 HG3 GLU A 852 -40.820 62.806 18.258 1.00 42.51 H new ATOM 1712 N ARG A 853 -39.421 64.259 13.782 1.00 4.02 N ATOM 1713 CA ARG A 853 -38.815 64.332 12.458 1.00 3.42 C ATOM 1714 C ARG A 853 -38.572 65.783 12.051 1.00 21.21 C ATOM 1715 O ARG A 853 -37.580 66.095 11.391 1.00 20.34 O ATOM 1716 CB ARG A 853 -39.710 63.645 11.426 1.00 63.35 C ATOM 1717 CG ARG A 853 -39.261 63.862 9.990 1.00 53.44 C ATOM 1718 CD ARG A 853 -37.825 63.410 9.780 1.00 43.00 C ATOM 1719 NE ARG A 853 -37.560 63.056 8.388 1.00 42.50 N ATOM 1720 CZ ARG A 853 -37.444 63.950 7.412 1.00 52.10 C ATOM 1721 NH1 ARG A 853 -37.569 65.244 7.675 1.00 71.42 N ATOM 1722 NH2 ARG A 853 -37.203 63.550 6.170 1.00 44.40 N ATOM 0 H ARG A 853 -40.367 63.877 13.793 1.00 4.02 H new ATOM 0 HA ARG A 853 -37.855 63.817 12.496 1.00 3.42 H new ATOM 0 HB2 ARG A 853 -39.733 62.575 11.633 1.00 63.35 H new ATOM 0 HB3 ARG A 853 -40.729 64.014 11.539 1.00 63.35 H new ATOM 0 HG2 ARG A 853 -39.918 63.313 9.315 1.00 53.44 H new ATOM 0 HG3 ARG A 853 -39.352 64.918 9.735 1.00 53.44 H new ATOM 0 HD2 ARG A 853 -37.146 64.206 10.087 1.00 43.00 H new ATOM 0 HD3 ARG A 853 -37.619 62.551 10.418 1.00 43.00 H new ATOM 0 HE ARG A 853 -37.458 62.069 8.152 1.00 42.50 H new ATOM 0 HH11 ARG A 853 -37.755 65.555 8.629 1.00 71.42 H new ATOM 0 HH12 ARG A 853 -37.479 65.928 6.924 1.00 71.42 H new ATOM 0 HH21 ARG A 853 -37.107 62.556 5.964 1.00 44.40 H new ATOM 0 HH22 ARG A 853 -37.114 64.237 5.421 1.00 44.40 H new ATOM 1736 N ILE A 854 -39.484 66.664 12.448 1.00 23.11 N ATOM 1737 CA ILE A 854 -39.368 68.081 12.125 1.00 20.40 C ATOM 1738 C ILE A 854 -38.645 68.840 13.232 1.00 31.35 C ATOM 1739 O ILE A 854 -38.687 70.070 13.287 1.00 35.52 O ATOM 1740 CB ILE A 854 -40.750 68.721 11.897 1.00 70.31 C ATOM 1741 CG1 ILE A 854 -41.548 68.742 13.202 1.00 32.11 C ATOM 1742 CG2 ILE A 854 -41.511 67.967 10.816 1.00 10.05 C ATOM 1743 CD1 ILE A 854 -42.916 69.373 13.064 1.00 71.43 C ATOM 0 H ILE A 854 -40.311 66.422 12.994 1.00 23.11 H new ATOM 0 HA ILE A 854 -38.789 68.148 11.204 1.00 20.40 H new ATOM 0 HB ILE A 854 -40.608 69.749 11.564 1.00 70.31 H new ATOM 0 HG12 ILE A 854 -41.663 67.721 13.565 1.00 32.11 H new ATOM 0 HG13 ILE A 854 -40.980 69.286 13.957 1.00 32.11 H new ATOM 0 HG21 ILE A 854 -42.486 68.431 10.666 1.00 10.05 H new ATOM 0 HG22 ILE A 854 -40.947 67.999 9.884 1.00 10.05 H new ATOM 0 HG23 ILE A 854 -41.646 66.930 11.122 1.00 10.05 H new ATOM 0 HD11 ILE A 854 -43.425 69.353 14.028 1.00 71.43 H new ATOM 0 HD12 ILE A 854 -42.809 70.405 12.731 1.00 71.43 H new ATOM 0 HD13 ILE A 854 -43.502 68.815 12.333 1.00 71.43 H new ATOM 1755 N LEU A 855 -37.980 68.100 14.113 1.00 73.52 N ATOM 1756 CA LEU A 855 -37.245 68.702 15.219 1.00 12.52 C ATOM 1757 C LEU A 855 -35.740 68.597 14.995 1.00 72.51 C ATOM 1758 O LEU A 855 -35.006 69.571 15.163 1.00 13.45 O ATOM 1759 CB LEU A 855 -37.625 68.027 16.538 1.00 63.41 C ATOM 1760 CG LEU A 855 -36.577 68.088 17.650 1.00 45.14 C ATOM 1761 CD1 LEU A 855 -36.240 69.532 17.987 1.00 53.41 C ATOM 1762 CD2 LEU A 855 -37.067 67.350 18.887 1.00 71.14 C ATOM 0 H LEU A 855 -37.935 67.081 14.082 1.00 73.52 H new ATOM 0 HA LEU A 855 -37.513 69.757 15.268 1.00 12.52 H new ATOM 0 HB2 LEU A 855 -38.543 68.485 16.906 1.00 63.41 H new ATOM 0 HB3 LEU A 855 -37.850 66.980 16.335 1.00 63.41 H new ATOM 0 HG LEU A 855 -35.670 67.598 17.295 1.00 45.14 H new ATOM 0 HD11 LEU A 855 -35.493 69.556 18.780 1.00 53.41 H new ATOM 0 HD12 LEU A 855 -35.845 70.030 17.101 1.00 53.41 H new ATOM 0 HD13 LEU A 855 -37.140 70.047 18.321 1.00 53.41 H new ATOM 0 HD21 LEU A 855 -36.308 67.404 19.667 1.00 71.14 H new ATOM 0 HD22 LEU A 855 -37.988 67.810 19.244 1.00 71.14 H new ATOM 0 HD23 LEU A 855 -37.256 66.306 18.637 1.00 71.14 H new