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= -0.0056 K(o=-0.0056,f=-0.6) USER MOD Single : A 779 THR OG1 : rot 180:sc= 0 USER MOD Single : A 801 GLN : amide:sc= -0.662 K(o=-0.66,f=-1.7!) 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= -0.281 K(o=-0.28,f=-3.3!) USER MOD Single : A 808 LYS NZ :NH3+ -148:sc= -0.302 (180deg=-1.58!) USER MOD Single : A 809 ASN : amide:sc= -0.278 K(o=-0.28,f=-1.3!) USER MOD Single : A 810 SER OG : rot 180:sc= 0 USER MOD Single : A 813 ASN : amide:sc=-0.00121 K(o=-0.0012,f=-1.3) USER MOD Single : A 816 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 818 THR OG1 : rot 63:sc= 1.24 USER MOD Single : A 826 THR OG1 : rot 27:sc= 0.338 USER MOD Single : A 834 GLN : amide:sc= -3.3! C(o=-3.3!,f=-1.8!) USER MOD Single : A 837 TYR OH : rot 180:sc= 0 USER MOD Single : A 842 HIS : no HD1:sc= -2.74 X(o=-2.7,f=-3) USER MOD Single : A 849 GLN : amide:sc= -0.668 K(o=-0.67,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 261 N TYR A 768 -4.673 21.047 -10.482 1.00 54.24 N ATOM 262 CA TYR A 768 -3.506 21.921 -10.488 1.00 60.32 C ATOM 263 C TYR A 768 -3.428 22.717 -11.787 1.00 40.12 C ATOM 264 O TYR A 768 -3.466 23.948 -11.778 1.00 32.11 O ATOM 265 CB TYR A 768 -2.228 21.101 -10.302 1.00 73.54 C ATOM 266 CG TYR A 768 -0.961 21.905 -10.481 1.00 42.25 C ATOM 267 CD1 TYR A 768 0.106 21.403 -11.216 1.00 61.33 C ATOM 268 CD2 TYR A 768 -0.830 23.167 -9.915 1.00 45.13 C ATOM 269 CE1 TYR A 768 1.267 22.134 -11.382 1.00 75.22 C ATOM 270 CE2 TYR A 768 0.326 23.906 -10.077 1.00 64.12 C ATOM 271 CZ TYR A 768 1.372 23.385 -10.811 1.00 74.02 C ATOM 272 OH TYR A 768 2.525 24.117 -10.973 1.00 43.25 O ATOM 0 HA TYR A 768 -3.604 22.622 -9.659 1.00 60.32 H new ATOM 0 HB2 TYR A 768 -2.231 20.661 -9.305 1.00 73.54 H new ATOM 0 HB3 TYR A 768 -2.229 20.276 -11.015 1.00 73.54 H new ATOM 0 HD1 TYR A 768 0.027 20.424 -11.666 1.00 61.33 H new ATOM 0 HD2 TYR A 768 -1.646 23.577 -9.338 1.00 45.13 H new ATOM 0 HE1 TYR A 768 2.087 21.728 -11.955 1.00 75.22 H new ATOM 0 HE2 TYR A 768 0.411 24.886 -9.632 1.00 64.12 H new ATOM 0 HH TYR A 768 2.435 24.976 -10.509 1.00 43.25 H new ATOM 282 N HIS A 769 -3.319 22.005 -12.904 1.00 40.25 N ATOM 283 CA HIS A 769 -3.237 22.644 -14.213 1.00 42.11 C ATOM 284 C HIS A 769 -4.396 23.615 -14.418 1.00 30.25 C ATOM 285 O HIS A 769 -4.218 24.703 -14.966 1.00 30.41 O ATOM 286 CB HIS A 769 -3.238 21.589 -15.320 1.00 53.41 C ATOM 287 CG HIS A 769 -1.946 20.841 -15.436 1.00 32.11 C ATOM 288 ND1 HIS A 769 -1.392 20.130 -14.392 1.00 50.23 N ATOM 289 CD2 HIS A 769 -1.099 20.694 -16.481 1.00 71.53 C ATOM 290 CE1 HIS A 769 -0.259 19.579 -14.790 1.00 50.52 C ATOM 291 NE2 HIS A 769 -0.059 19.906 -16.054 1.00 64.43 N ATOM 0 H HIS A 769 -3.285 20.986 -12.929 1.00 40.25 H new ATOM 0 HA HIS A 769 -2.304 23.206 -14.258 1.00 42.11 H new ATOM 0 HB2 HIS A 769 -4.044 20.879 -15.133 1.00 53.41 H new ATOM 0 HB3 HIS A 769 -3.454 22.074 -16.272 1.00 53.41 H new ATOM 0 HD2 HIS A 769 -1.219 21.118 -17.467 1.00 71.53 H new ATOM 0 HE1 HIS A 769 0.392 18.966 -14.185 1.00 50.52 H new ATOM 0 HE2 HIS A 769 0.739 19.619 -16.621 1.00 64.43 H new ATOM 299 N ARG A 770 -5.583 23.214 -13.974 1.00 22.52 N ATOM 300 CA ARG A 770 -6.771 24.047 -14.110 1.00 11.00 C ATOM 301 C ARG A 770 -6.613 25.350 -13.332 1.00 51.43 C ATOM 302 O ARG A 770 -6.704 26.440 -13.900 1.00 72.32 O ATOM 303 CB ARG A 770 -8.008 23.293 -13.617 1.00 41.42 C ATOM 304 CG ARG A 770 -9.123 24.205 -13.130 1.00 64.24 C ATOM 305 CD ARG A 770 -10.346 23.409 -12.702 1.00 42.14 C ATOM 306 NE ARG A 770 -10.135 22.723 -11.431 1.00 22.05 N ATOM 307 CZ ARG A 770 -10.892 21.719 -11.003 1.00 21.22 C ATOM 308 NH1 ARG A 770 -11.904 21.286 -11.742 1.00 31.14 N ATOM 309 NH2 ARG A 770 -10.637 21.145 -9.834 1.00 2.23 N ATOM 0 H ARG A 770 -5.747 22.317 -13.517 1.00 22.52 H new ATOM 0 HA ARG A 770 -6.897 24.287 -15.166 1.00 11.00 H new ATOM 0 HB2 ARG A 770 -8.388 22.668 -14.425 1.00 41.42 H new ATOM 0 HB3 ARG A 770 -7.717 22.625 -12.807 1.00 41.42 H new ATOM 0 HG2 ARG A 770 -8.765 24.803 -12.292 1.00 64.24 H new ATOM 0 HG3 ARG A 770 -9.399 24.900 -13.923 1.00 64.24 H new ATOM 0 HD2 ARG A 770 -11.202 24.078 -12.615 1.00 42.14 H new ATOM 0 HD3 ARG A 770 -10.590 22.678 -13.472 1.00 42.14 H new ATOM 0 HE ARG A 770 -9.364 23.032 -10.839 1.00 22.05 H new ATOM 0 HH11 ARG A 770 -12.103 21.724 -12.641 1.00 31.14 H new ATOM 0 HH12 ARG A 770 -12.484 20.515 -11.411 1.00 31.14 H new ATOM 0 HH21 ARG A 770 -9.859 21.475 -9.263 1.00 2.23 H new ATOM 0 HH22 ARG A 770 -11.219 20.374 -9.507 1.00 2.23 H new ATOM 323 N LEU A 771 -6.377 25.231 -12.031 1.00 4.44 N ATOM 324 CA LEU A 771 -6.206 26.400 -11.174 1.00 73.10 C ATOM 325 C LEU A 771 -5.193 27.370 -11.772 1.00 5.31 C ATOM 326 O LEU A 771 -5.454 28.568 -11.880 1.00 11.44 O ATOM 327 CB LEU A 771 -5.756 25.971 -9.776 1.00 41.05 C ATOM 328 CG LEU A 771 -6.025 26.968 -8.649 1.00 41.41 C ATOM 329 CD1 LEU A 771 -7.514 27.046 -8.349 1.00 23.45 C ATOM 330 CD2 LEU A 771 -5.246 26.584 -7.400 1.00 21.24 C ATOM 0 H LEU A 771 -6.300 24.337 -11.545 1.00 4.44 H new ATOM 0 HA LEU A 771 -7.167 26.909 -11.099 1.00 73.10 H new ATOM 0 HB2 LEU A 771 -6.251 25.032 -9.529 1.00 41.05 H new ATOM 0 HB3 LEU A 771 -4.685 25.768 -9.807 1.00 41.05 H new ATOM 0 HG LEU A 771 -5.689 27.953 -8.973 1.00 41.41 H new ATOM 0 HD11 LEU A 771 -7.686 27.761 -7.544 1.00 23.45 H new ATOM 0 HD12 LEU A 771 -8.049 27.370 -9.242 1.00 23.45 H new ATOM 0 HD13 LEU A 771 -7.876 26.064 -8.045 1.00 23.45 H new ATOM 0 HD21 LEU A 771 -5.450 27.305 -6.608 1.00 21.24 H new ATOM 0 HD22 LEU A 771 -5.550 25.590 -7.073 1.00 21.24 H new ATOM 0 HD23 LEU A 771 -4.179 26.582 -7.623 1.00 21.24 H new ATOM 342 N ARG A 772 -4.036 26.844 -12.161 1.00 42.10 N ATOM 343 CA ARG A 772 -2.983 27.664 -12.749 1.00 72.52 C ATOM 344 C ARG A 772 -3.430 28.244 -14.088 1.00 11.23 C ATOM 345 O ARG A 772 -3.020 29.341 -14.468 1.00 64.21 O ATOM 346 CB ARG A 772 -1.710 26.837 -12.939 1.00 71.24 C ATOM 347 CG ARG A 772 -0.443 27.674 -12.997 1.00 50.32 C ATOM 348 CD ARG A 772 -0.080 28.231 -11.629 1.00 71.43 C ATOM 349 NE ARG A 772 1.053 29.150 -11.695 1.00 55.23 N ATOM 350 CZ ARG A 772 1.724 29.566 -10.628 1.00 4.53 C ATOM 351 NH1 ARG A 772 1.380 29.147 -9.418 1.00 73.12 N ATOM 352 NH2 ARG A 772 2.744 30.404 -10.769 1.00 20.11 N ATOM 0 H ARG A 772 -3.804 25.854 -12.080 1.00 42.10 H new ATOM 0 HA ARG A 772 -2.775 28.488 -12.067 1.00 72.52 H new ATOM 0 HB2 ARG A 772 -1.626 26.122 -12.121 1.00 71.24 H new ATOM 0 HB3 ARG A 772 -1.796 26.259 -13.859 1.00 71.24 H new ATOM 0 HG2 ARG A 772 0.379 27.066 -13.373 1.00 50.32 H new ATOM 0 HG3 ARG A 772 -0.580 28.495 -13.701 1.00 50.32 H new ATOM 0 HD2 ARG A 772 -0.942 28.748 -11.208 1.00 71.43 H new ATOM 0 HD3 ARG A 772 0.159 27.409 -10.955 1.00 71.43 H new ATOM 0 HE ARG A 772 1.345 29.491 -12.611 1.00 55.23 H new ATOM 0 HH11 ARG A 772 0.597 28.503 -9.305 1.00 73.12 H new ATOM 0 HH12 ARG A 772 1.898 29.469 -8.600 1.00 73.12 H new ATOM 0 HH21 ARG A 772 3.013 30.729 -11.698 1.00 20.11 H new ATOM 0 HH22 ARG A 772 3.259 30.723 -9.948 1.00 20.11 H new ATOM 366 N ASP A 773 -4.272 27.501 -14.797 1.00 54.31 N ATOM 367 CA ASP A 773 -4.776 27.942 -16.093 1.00 3.11 C ATOM 368 C ASP A 773 -5.614 29.208 -15.948 1.00 42.52 C ATOM 369 O ASP A 773 -5.328 30.230 -16.574 1.00 60.15 O ATOM 370 CB ASP A 773 -5.608 26.836 -16.744 1.00 12.34 C ATOM 371 CG ASP A 773 -5.979 27.159 -18.178 1.00 33.23 C ATOM 372 OD1 ASP A 773 -6.903 26.510 -18.711 1.00 51.03 O ATOM 373 OD2 ASP A 773 -5.345 28.059 -18.767 1.00 14.52 O ATOM 0 H ASP A 773 -4.620 26.591 -14.497 1.00 54.31 H new ATOM 0 HA ASP A 773 -3.921 28.165 -16.731 1.00 3.11 H new ATOM 0 HB2 ASP A 773 -5.048 25.901 -16.718 1.00 12.34 H new ATOM 0 HB3 ASP A 773 -6.517 26.679 -16.163 1.00 12.34 H new ATOM 378 N LEU A 774 -6.650 29.135 -15.120 1.00 23.41 N ATOM 379 CA LEU A 774 -7.531 30.275 -14.893 1.00 60.13 C ATOM 380 C LEU A 774 -6.762 31.445 -14.288 1.00 53.34 C ATOM 381 O LEU A 774 -6.912 32.589 -14.720 1.00 3.43 O ATOM 382 CB LEU A 774 -8.685 29.877 -13.972 1.00 13.23 C ATOM 383 CG LEU A 774 -9.889 29.222 -14.649 1.00 34.52 C ATOM 384 CD1 LEU A 774 -10.503 30.162 -15.674 1.00 13.53 C ATOM 385 CD2 LEU A 774 -9.484 27.909 -15.303 1.00 30.32 C ATOM 0 H LEU A 774 -6.901 28.298 -14.594 1.00 23.41 H new ATOM 0 HA LEU A 774 -7.935 30.589 -15.856 1.00 60.13 H new ATOM 0 HB2 LEU A 774 -8.301 29.191 -13.217 1.00 13.23 H new ATOM 0 HB3 LEU A 774 -9.029 30.769 -13.448 1.00 13.23 H new ATOM 0 HG LEU A 774 -10.638 29.010 -13.887 1.00 34.52 H new ATOM 0 HD11 LEU A 774 -11.358 29.678 -16.145 1.00 13.53 H new ATOM 0 HD12 LEU A 774 -10.831 31.076 -15.179 1.00 13.53 H new ATOM 0 HD13 LEU A 774 -9.761 30.407 -16.434 1.00 13.53 H new ATOM 0 HD21 LEU A 774 -10.353 27.457 -15.780 1.00 30.32 H new ATOM 0 HD22 LEU A 774 -8.716 28.098 -16.053 1.00 30.32 H new ATOM 0 HD23 LEU A 774 -9.092 27.231 -14.545 1.00 30.32 H new ATOM 397 N LEU A 775 -5.938 31.152 -13.289 1.00 33.43 N ATOM 398 CA LEU A 775 -5.143 32.179 -12.625 1.00 53.33 C ATOM 399 C LEU A 775 -4.159 32.819 -13.599 1.00 2.11 C ATOM 400 O LEU A 775 -3.823 33.998 -13.474 1.00 72.24 O ATOM 401 CB LEU A 775 -4.388 31.580 -11.438 1.00 4.10 C ATOM 402 CG LEU A 775 -5.231 31.237 -10.210 1.00 31.43 C ATOM 403 CD1 LEU A 775 -4.431 30.389 -9.233 1.00 1.44 C ATOM 404 CD2 LEU A 775 -5.730 32.505 -9.534 1.00 14.31 C ATOM 0 H LEU A 775 -5.803 30.211 -12.920 1.00 33.43 H new ATOM 0 HA LEU A 775 -5.821 32.951 -12.262 1.00 53.33 H new ATOM 0 HB2 LEU A 775 -3.885 30.673 -11.773 1.00 4.10 H new ATOM 0 HB3 LEU A 775 -3.611 32.282 -11.136 1.00 4.10 H new ATOM 0 HG LEU A 775 -6.096 30.660 -10.537 1.00 31.43 H new ATOM 0 HD11 LEU A 775 -5.047 30.155 -8.365 1.00 1.44 H new ATOM 0 HD12 LEU A 775 -4.124 29.464 -9.721 1.00 1.44 H new ATOM 0 HD13 LEU A 775 -3.547 30.940 -8.912 1.00 1.44 H new ATOM 0 HD21 LEU A 775 -6.328 32.241 -8.662 1.00 14.31 H new ATOM 0 HD22 LEU A 775 -4.879 33.109 -9.221 1.00 14.31 H new ATOM 0 HD23 LEU A 775 -6.341 33.074 -10.234 1.00 14.31 H new ATOM 416 N LEU A 776 -3.701 32.036 -14.569 1.00 24.20 N ATOM 417 CA LEU A 776 -2.756 32.526 -15.566 1.00 42.25 C ATOM 418 C LEU A 776 -3.431 33.507 -16.520 1.00 62.42 C ATOM 419 O LEU A 776 -2.969 34.635 -16.695 1.00 71.34 O ATOM 420 CB LEU A 776 -2.163 31.357 -16.354 1.00 61.34 C ATOM 421 CG LEU A 776 -1.352 31.727 -17.597 1.00 22.03 C ATOM 422 CD1 LEU A 776 -0.226 30.729 -17.816 1.00 61.52 C ATOM 423 CD2 LEU A 776 -2.253 31.795 -18.821 1.00 41.21 C ATOM 0 H LEU A 776 -3.969 31.059 -14.686 1.00 24.20 H new ATOM 0 HA LEU A 776 -1.954 33.048 -15.044 1.00 42.25 H new ATOM 0 HB2 LEU A 776 -1.523 30.782 -15.685 1.00 61.34 H new ATOM 0 HB3 LEU A 776 -2.978 30.700 -16.659 1.00 61.34 H new ATOM 0 HG LEU A 776 -0.912 32.712 -17.440 1.00 22.03 H new ATOM 0 HD11 LEU A 776 0.340 31.008 -18.705 1.00 61.52 H new ATOM 0 HD12 LEU A 776 0.435 30.730 -16.949 1.00 61.52 H new ATOM 0 HD13 LEU A 776 -0.645 29.732 -17.951 1.00 61.52 H new ATOM 0 HD21 LEU A 776 -1.659 32.059 -19.696 1.00 41.21 H new ATOM 0 HD22 LEU A 776 -2.723 30.825 -18.981 1.00 41.21 H new ATOM 0 HD23 LEU A 776 -3.024 32.550 -18.664 1.00 41.21 H new ATOM 435 N ILE A 777 -4.526 33.070 -17.132 1.00 72.51 N ATOM 436 CA ILE A 777 -5.266 33.910 -18.065 1.00 74.01 C ATOM 437 C ILE A 777 -5.767 35.179 -17.384 1.00 34.25 C ATOM 438 O ILE A 777 -5.793 36.252 -17.986 1.00 63.25 O ATOM 439 CB ILE A 777 -6.466 33.158 -18.670 1.00 72.24 C ATOM 440 CG1 ILE A 777 -7.258 34.080 -19.600 1.00 31.03 C ATOM 441 CG2 ILE A 777 -7.361 32.613 -17.567 1.00 52.22 C ATOM 442 CD1 ILE A 777 -6.441 34.623 -20.751 1.00 54.32 C ATOM 0 H ILE A 777 -4.920 32.139 -16.998 1.00 72.51 H new ATOM 0 HA ILE A 777 -4.575 34.178 -18.864 1.00 74.01 H new ATOM 0 HB ILE A 777 -6.092 32.318 -19.255 1.00 72.24 H new ATOM 0 HG12 ILE A 777 -8.113 33.534 -19.998 1.00 31.03 H new ATOM 0 HG13 ILE A 777 -7.654 34.914 -19.021 1.00 31.03 H new ATOM 0 HG21 ILE A 777 -8.205 32.084 -18.011 1.00 52.22 H new ATOM 0 HG22 ILE A 777 -6.791 31.926 -16.942 1.00 52.22 H new ATOM 0 HG23 ILE A 777 -7.730 33.438 -16.957 1.00 52.22 H new ATOM 0 HD11 ILE A 777 -7.066 35.268 -21.368 1.00 54.32 H new ATOM 0 HD12 ILE A 777 -5.600 35.197 -20.361 1.00 54.32 H new ATOM 0 HD13 ILE A 777 -6.067 33.796 -21.354 1.00 54.32 H new ATOM 454 N VAL A 778 -6.164 35.049 -16.121 1.00 72.15 N ATOM 455 CA VAL A 778 -6.662 36.185 -15.356 1.00 1.42 C ATOM 456 C VAL A 778 -5.546 37.181 -15.062 1.00 43.41 C ATOM 457 O VAL A 778 -5.588 38.329 -15.508 1.00 71.40 O ATOM 458 CB VAL A 778 -7.294 35.733 -14.026 1.00 71.32 C ATOM 459 CG1 VAL A 778 -7.608 36.934 -13.148 1.00 13.22 C ATOM 460 CG2 VAL A 778 -8.547 34.909 -14.285 1.00 45.23 C ATOM 0 H VAL A 778 -6.150 34.168 -15.607 1.00 72.15 H new ATOM 0 HA VAL A 778 -7.425 36.667 -15.967 1.00 1.42 H new ATOM 0 HB VAL A 778 -6.576 35.105 -13.498 1.00 71.32 H new ATOM 0 HG11 VAL A 778 -8.054 36.595 -12.213 1.00 13.22 H new ATOM 0 HG12 VAL A 778 -6.689 37.479 -12.935 1.00 13.22 H new ATOM 0 HG13 VAL A 778 -8.307 37.591 -13.666 1.00 13.22 H new ATOM 0 HG21 VAL A 778 -8.981 34.598 -13.335 1.00 45.23 H new ATOM 0 HG22 VAL A 778 -9.271 35.511 -14.835 1.00 45.23 H new ATOM 0 HG23 VAL A 778 -8.288 34.028 -14.872 1.00 45.23 H new ATOM 470 N THR A 779 -4.545 36.736 -14.308 1.00 73.34 N ATOM 471 CA THR A 779 -3.417 37.587 -13.954 1.00 51.40 C ATOM 472 C THR A 779 -2.749 38.161 -15.198 1.00 63.34 C ATOM 473 O THR A 779 -2.165 39.244 -15.158 1.00 31.12 O ATOM 474 CB THR A 779 -2.368 36.817 -13.131 1.00 20.53 C ATOM 475 OG1 THR A 779 -1.446 37.733 -12.531 1.00 43.11 O ATOM 476 CG2 THR A 779 -1.612 35.829 -14.006 1.00 71.44 C ATOM 0 H THR A 779 -4.493 35.790 -13.931 1.00 73.34 H new ATOM 0 HA THR A 779 -3.815 38.402 -13.350 1.00 51.40 H new ATOM 0 HB THR A 779 -2.888 36.262 -12.350 1.00 20.53 H new ATOM 0 HG1 THR A 779 -0.783 37.235 -12.008 1.00 43.11 H new ATOM 0 HG21 THR A 779 -0.877 35.297 -13.402 1.00 71.44 H new ATOM 0 HG22 THR A 779 -2.313 35.114 -14.437 1.00 71.44 H new ATOM 0 HG23 THR A 779 -1.104 36.367 -14.806 1.00 71.44 H new ATOM 484 N ARG A 780 -2.838 37.428 -16.303 1.00 74.24 N ATOM 485 CA ARG A 780 -2.241 37.864 -17.560 1.00 35.10 C ATOM 486 C ARG A 780 -3.016 39.039 -18.151 1.00 24.32 C ATOM 487 O ARG A 780 -2.454 40.109 -18.386 1.00 51.10 O ATOM 488 CB ARG A 780 -2.206 36.708 -18.561 1.00 33.41 C ATOM 489 CG ARG A 780 -1.800 37.128 -19.964 1.00 10.52 C ATOM 490 CD ARG A 780 -0.444 37.817 -19.968 1.00 61.31 C ATOM 491 NE ARG A 780 0.620 36.932 -19.503 1.00 25.41 N ATOM 492 CZ ARG A 780 1.790 37.365 -19.047 1.00 44.54 C ATOM 493 NH1 ARG A 780 2.045 38.666 -18.996 1.00 34.32 N ATOM 494 NH2 ARG A 780 2.709 36.498 -18.642 1.00 31.13 N ATOM 0 H ARG A 780 -3.318 36.529 -16.353 1.00 74.24 H new ATOM 0 HA ARG A 780 -1.221 38.189 -17.355 1.00 35.10 H new ATOM 0 HB2 ARG A 780 -1.510 35.949 -18.203 1.00 33.41 H new ATOM 0 HB3 ARG A 780 -3.191 36.243 -18.601 1.00 33.41 H new ATOM 0 HG2 ARG A 780 -1.766 36.252 -20.612 1.00 10.52 H new ATOM 0 HG3 ARG A 780 -2.552 37.800 -20.376 1.00 10.52 H new ATOM 0 HD2 ARG A 780 -0.215 38.161 -20.977 1.00 61.31 H new ATOM 0 HD3 ARG A 780 -0.485 38.701 -19.332 1.00 61.31 H new ATOM 0 HE ARG A 780 0.456 35.926 -19.530 1.00 25.41 H new ATOM 0 HH11 ARG A 780 1.342 39.336 -19.307 1.00 34.32 H new ATOM 0 HH12 ARG A 780 2.944 38.996 -18.645 1.00 34.32 H new ATOM 0 HH21 ARG A 780 2.518 35.497 -18.680 1.00 31.13 H new ATOM 0 HH22 ARG A 780 3.607 36.833 -18.292 1.00 31.13 H new ATOM 508 N ILE A 781 -4.306 38.831 -18.388 1.00 72.42 N ATOM 509 CA ILE A 781 -5.157 39.872 -18.951 1.00 4.23 C ATOM 510 C ILE A 781 -5.203 41.095 -18.041 1.00 45.21 C ATOM 511 O ILE A 781 -5.227 42.232 -18.512 1.00 44.32 O ATOM 512 CB ILE A 781 -6.592 39.364 -19.181 1.00 60.33 C ATOM 513 CG1 ILE A 781 -6.591 38.200 -20.175 1.00 24.15 C ATOM 514 CG2 ILE A 781 -7.480 40.493 -19.682 1.00 10.15 C ATOM 515 CD1 ILE A 781 -7.894 37.433 -20.208 1.00 61.23 C ATOM 0 H ILE A 781 -4.785 37.951 -18.199 1.00 72.42 H new ATOM 0 HA ILE A 781 -4.721 40.151 -19.910 1.00 4.23 H new ATOM 0 HB ILE A 781 -6.992 39.007 -18.232 1.00 60.33 H new ATOM 0 HG12 ILE A 781 -6.380 38.585 -21.173 1.00 24.15 H new ATOM 0 HG13 ILE A 781 -5.782 37.515 -19.920 1.00 24.15 H new ATOM 0 HG21 ILE A 781 -8.491 40.118 -19.840 1.00 10.15 H new ATOM 0 HG22 ILE A 781 -7.501 41.294 -18.943 1.00 10.15 H new ATOM 0 HG23 ILE A 781 -7.085 40.877 -20.622 1.00 10.15 H new ATOM 0 HD11 ILE A 781 -7.821 36.623 -20.934 1.00 61.23 H new ATOM 0 HD12 ILE A 781 -8.097 37.018 -19.221 1.00 61.23 H new ATOM 0 HD13 ILE A 781 -8.704 38.104 -20.493 1.00 61.23 H new ATOM 527 N VAL A 782 -5.213 40.854 -16.734 1.00 23.31 N ATOM 528 CA VAL A 782 -5.252 41.935 -15.757 1.00 15.30 C ATOM 529 C VAL A 782 -3.946 42.721 -15.753 1.00 60.13 C ATOM 530 O VAL A 782 -3.951 43.951 -15.761 1.00 43.33 O ATOM 531 CB VAL A 782 -5.521 41.400 -14.338 1.00 1.12 C ATOM 532 CG1 VAL A 782 -5.517 42.538 -13.328 1.00 63.23 C ATOM 533 CG2 VAL A 782 -6.840 40.643 -14.295 1.00 3.10 C ATOM 0 H VAL A 782 -5.195 39.919 -16.327 1.00 23.31 H new ATOM 0 HA VAL A 782 -6.068 42.595 -16.049 1.00 15.30 H new ATOM 0 HB VAL A 782 -4.722 40.708 -14.072 1.00 1.12 H new ATOM 0 HG11 VAL A 782 -5.709 42.141 -12.331 1.00 63.23 H new ATOM 0 HG12 VAL A 782 -4.546 43.032 -13.341 1.00 63.23 H new ATOM 0 HG13 VAL A 782 -6.294 43.257 -13.587 1.00 63.23 H new ATOM 0 HG21 VAL A 782 -7.014 40.272 -13.285 1.00 3.10 H new ATOM 0 HG22 VAL A 782 -7.652 41.311 -14.581 1.00 3.10 H new ATOM 0 HG23 VAL A 782 -6.800 39.803 -14.988 1.00 3.10 H new ATOM 543 N GLU A 783 -2.829 42.001 -15.742 1.00 23.43 N ATOM 544 CA GLU A 783 -1.514 42.631 -15.737 1.00 0.43 C ATOM 545 C GLU A 783 -1.277 43.404 -17.031 1.00 5.31 C ATOM 546 O GLU A 783 -0.710 44.498 -17.019 1.00 51.12 O ATOM 547 CB GLU A 783 -0.419 41.579 -15.550 1.00 73.34 C ATOM 548 CG GLU A 783 -0.229 41.147 -14.106 1.00 13.31 C ATOM 549 CD GLU A 783 0.403 42.229 -13.252 1.00 43.24 C ATOM 550 OE1 GLU A 783 -0.150 42.533 -12.175 1.00 14.50 O ATOM 551 OE2 GLU A 783 1.451 42.772 -13.661 1.00 70.43 O ATOM 0 H GLU A 783 -2.808 40.981 -15.736 1.00 23.43 H new ATOM 0 HA GLU A 783 -1.479 43.332 -14.903 1.00 0.43 H new ATOM 0 HB2 GLU A 783 -0.661 40.704 -16.153 1.00 73.34 H new ATOM 0 HB3 GLU A 783 0.523 41.976 -15.928 1.00 73.34 H new ATOM 0 HG2 GLU A 783 -1.195 40.873 -13.682 1.00 13.31 H new ATOM 0 HG3 GLU A 783 0.396 40.255 -14.077 1.00 13.31 H new ATOM 850 N LEU A 800 -21.872 54.011 -13.011 1.00 32.13 N ATOM 851 CA LEU A 800 -22.485 53.802 -11.703 1.00 60.34 C ATOM 852 C LEU A 800 -23.056 55.105 -11.155 1.00 4.44 C ATOM 853 O LEU A 800 -24.246 55.196 -10.857 1.00 74.43 O ATOM 854 CB LEU A 800 -21.460 53.228 -10.724 1.00 2.03 C ATOM 855 CG LEU A 800 -21.968 52.134 -9.784 1.00 53.02 C ATOM 856 CD1 LEU A 800 -20.897 51.077 -9.567 1.00 31.42 C ATOM 857 CD2 LEU A 800 -22.406 52.733 -8.456 1.00 13.14 C ATOM 0 HA LEU A 800 -23.303 53.091 -11.821 1.00 60.34 H new ATOM 0 HB2 LEU A 800 -20.625 52.827 -11.298 1.00 2.03 H new ATOM 0 HB3 LEU A 800 -21.068 54.046 -10.119 1.00 2.03 H new ATOM 0 HG LEU A 800 -22.832 51.657 -10.247 1.00 53.02 H new ATOM 0 HD11 LEU A 800 -21.277 50.307 -8.896 1.00 31.42 H new ATOM 0 HD12 LEU A 800 -20.632 50.626 -10.523 1.00 31.42 H new ATOM 0 HD13 LEU A 800 -20.014 51.539 -9.126 1.00 31.42 H new ATOM 0 HD21 LEU A 800 -22.765 51.940 -7.800 1.00 13.14 H new ATOM 0 HD22 LEU A 800 -21.561 53.237 -7.988 1.00 13.14 H new ATOM 0 HD23 LEU A 800 -23.207 53.452 -8.628 1.00 13.14 H new ATOM 869 N GLN A 801 -22.198 56.113 -11.025 1.00 71.43 N ATOM 870 CA GLN A 801 -22.618 57.412 -10.514 1.00 31.13 C ATOM 871 C GLN A 801 -23.765 57.979 -11.344 1.00 33.33 C ATOM 872 O GLN A 801 -24.642 58.667 -10.821 1.00 33.34 O ATOM 873 CB GLN A 801 -21.441 58.389 -10.515 1.00 30.33 C ATOM 874 CG GLN A 801 -20.380 58.064 -9.475 1.00 52.13 C ATOM 875 CD GLN A 801 -20.920 58.100 -8.059 1.00 74.13 C ATOM 876 OE1 GLN A 801 -21.626 57.187 -7.628 1.00 45.03 O ATOM 877 NE2 GLN A 801 -20.591 59.157 -7.326 1.00 54.24 N ATOM 0 H GLN A 801 -21.209 56.054 -11.267 1.00 71.43 H new ATOM 0 HA GLN A 801 -22.967 57.276 -9.491 1.00 31.13 H new ATOM 0 HB2 GLN A 801 -20.981 58.390 -11.503 1.00 30.33 H new ATOM 0 HB3 GLN A 801 -21.816 59.397 -10.337 1.00 30.33 H new ATOM 0 HG2 GLN A 801 -19.969 57.075 -9.678 1.00 52.13 H new ATOM 0 HG3 GLN A 801 -19.559 58.775 -9.565 1.00 52.13 H new ATOM 0 HE21 GLN A 801 -20.004 59.890 -7.723 1.00 54.24 H new ATOM 0 HE22 GLN A 801 -20.926 59.236 -6.366 1.00 54.24 H new ATOM 886 N TYR A 802 -23.752 57.686 -12.639 1.00 74.12 N ATOM 887 CA TYR A 802 -24.790 58.169 -13.542 1.00 73.13 C ATOM 888 C TYR A 802 -26.155 57.609 -13.153 1.00 20.10 C ATOM 889 O TYR A 802 -27.080 58.359 -12.841 1.00 61.11 O ATOM 890 CB TYR A 802 -24.461 57.782 -14.985 1.00 44.21 C ATOM 891 CG TYR A 802 -24.048 58.954 -15.847 1.00 14.11 C ATOM 892 CD1 TYR A 802 -24.851 60.084 -15.948 1.00 24.01 C ATOM 893 CD2 TYR A 802 -22.856 58.932 -16.560 1.00 23.34 C ATOM 894 CE1 TYR A 802 -24.478 61.156 -16.735 1.00 11.52 C ATOM 895 CE2 TYR A 802 -22.474 60.000 -17.348 1.00 15.42 C ATOM 896 CZ TYR A 802 -23.289 61.110 -17.433 1.00 12.15 C ATOM 897 OH TYR A 802 -22.914 62.177 -18.216 1.00 41.03 O ATOM 0 H TYR A 802 -23.034 57.116 -13.087 1.00 74.12 H new ATOM 0 HA TYR A 802 -24.827 59.256 -13.463 1.00 73.13 H new ATOM 0 HB2 TYR A 802 -23.658 57.044 -14.981 1.00 44.21 H new ATOM 0 HB3 TYR A 802 -25.332 57.303 -15.431 1.00 44.21 H new ATOM 0 HD1 TYR A 802 -25.782 60.124 -15.402 1.00 24.01 H new ATOM 0 HD2 TYR A 802 -22.216 58.064 -16.497 1.00 23.34 H new ATOM 0 HE1 TYR A 802 -25.114 62.026 -16.804 1.00 11.52 H new ATOM 0 HE2 TYR A 802 -21.543 59.966 -17.894 1.00 15.42 H new ATOM 0 HH TYR A 802 -22.051 61.985 -18.639 1.00 41.03 H new ATOM 907 N TRP A 803 -26.272 56.286 -13.173 1.00 44.23 N ATOM 908 CA TRP A 803 -27.523 55.624 -12.822 1.00 22.01 C ATOM 909 C TRP A 803 -27.950 55.984 -11.403 1.00 43.43 C ATOM 910 O TRP A 803 -29.109 56.320 -11.160 1.00 42.15 O ATOM 911 CB TRP A 803 -27.375 54.107 -12.954 1.00 14.24 C ATOM 912 CG TRP A 803 -26.768 53.680 -14.256 1.00 14.33 C ATOM 913 CD1 TRP A 803 -25.732 52.809 -14.430 1.00 24.41 C ATOM 914 CD2 TRP A 803 -27.160 54.108 -15.565 1.00 30.32 C ATOM 915 NE1 TRP A 803 -25.455 52.668 -15.769 1.00 11.44 N ATOM 916 CE2 TRP A 803 -26.318 53.454 -16.486 1.00 1.22 C ATOM 917 CE3 TRP A 803 -28.141 54.977 -16.049 1.00 12.01 C ATOM 918 CZ2 TRP A 803 -26.428 53.645 -17.860 1.00 54.35 C ATOM 919 CZ3 TRP A 803 -28.249 55.166 -17.414 1.00 33.25 C ATOM 920 CH2 TRP A 803 -27.398 54.502 -18.307 1.00 3.14 C ATOM 0 H TRP A 803 -25.516 55.651 -13.429 1.00 44.23 H new ATOM 0 HA TRP A 803 -28.294 55.968 -13.512 1.00 22.01 H new ATOM 0 HB2 TRP A 803 -26.758 53.737 -12.135 1.00 14.24 H new ATOM 0 HB3 TRP A 803 -28.356 53.643 -12.849 1.00 14.24 H new ATOM 0 HD1 TRP A 803 -25.207 52.304 -13.633 1.00 24.41 H new ATOM 0 HE1 TRP A 803 -24.726 52.075 -16.164 1.00 11.44 H new ATOM 0 HE3 TRP A 803 -28.803 55.492 -15.369 1.00 12.01 H new ATOM 0 HZ2 TRP A 803 -25.771 53.135 -18.550 1.00 54.35 H new ATOM 0 HZ3 TRP A 803 -29.003 55.837 -17.799 1.00 33.25 H new ATOM 0 HH2 TRP A 803 -27.509 54.669 -19.368 1.00 3.14 H new ATOM 931 N SER A 804 -27.006 55.913 -10.470 1.00 33.23 N ATOM 932 CA SER A 804 -27.287 56.228 -9.074 1.00 3.51 C ATOM 933 C SER A 804 -27.949 57.597 -8.949 1.00 35.01 C ATOM 934 O SER A 804 -29.076 57.710 -8.467 1.00 11.32 O ATOM 935 CB SER A 804 -25.996 56.197 -8.253 1.00 12.32 C ATOM 936 OG SER A 804 -26.276 56.136 -6.865 1.00 31.00 O ATOM 0 H SER A 804 -26.041 55.640 -10.655 1.00 33.23 H new ATOM 0 HA SER A 804 -27.974 55.475 -8.688 1.00 3.51 H new ATOM 0 HB2 SER A 804 -25.396 55.335 -8.545 1.00 12.32 H new ATOM 0 HB3 SER A 804 -25.403 57.085 -8.469 1.00 12.32 H new ATOM 0 HG SER A 804 -25.435 56.115 -6.362 1.00 31.00 H new ATOM 942 N GLN A 805 -27.241 58.633 -9.387 1.00 31.31 N ATOM 943 CA GLN A 805 -27.760 59.994 -9.324 1.00 21.14 C ATOM 944 C GLN A 805 -29.072 60.113 -10.092 1.00 63.14 C ATOM 945 O GLN A 805 -29.957 60.877 -9.712 1.00 13.54 O ATOM 946 CB GLN A 805 -26.734 60.980 -9.886 1.00 33.21 C ATOM 947 CG GLN A 805 -25.693 61.420 -8.870 1.00 22.13 C ATOM 948 CD GLN A 805 -26.217 62.475 -7.916 1.00 35.44 C ATOM 949 OE1 GLN A 805 -27.376 62.432 -7.501 1.00 31.22 O ATOM 950 NE2 GLN A 805 -25.365 63.430 -7.562 1.00 34.43 N ATOM 0 H GLN A 805 -26.307 58.556 -9.789 1.00 31.31 H new ATOM 0 HA GLN A 805 -27.950 60.235 -8.278 1.00 21.14 H new ATOM 0 HB2 GLN A 805 -26.229 60.521 -10.736 1.00 33.21 H new ATOM 0 HB3 GLN A 805 -27.256 61.859 -10.263 1.00 33.21 H new ATOM 0 HG2 GLN A 805 -25.359 60.553 -8.299 1.00 22.13 H new ATOM 0 HG3 GLN A 805 -24.821 61.811 -9.395 1.00 22.13 H new ATOM 0 HE21 GLN A 805 -24.414 63.427 -7.930 1.00 34.43 H new ATOM 0 HE22 GLN A 805 -25.662 64.167 -6.922 1.00 34.43 H new ATOM 959 N GLU A 806 -29.188 59.352 -11.176 1.00 70.30 N ATOM 960 CA GLU A 806 -30.392 59.374 -11.999 1.00 21.35 C ATOM 961 C GLU A 806 -31.615 58.963 -11.184 1.00 30.22 C ATOM 962 O GLU A 806 -32.638 59.649 -11.189 1.00 71.24 O ATOM 963 CB GLU A 806 -30.231 58.443 -13.202 1.00 71.13 C ATOM 964 CG GLU A 806 -30.193 59.172 -14.535 1.00 10.13 C ATOM 965 CD GLU A 806 -31.575 59.394 -15.118 1.00 10.21 C ATOM 966 OE1 GLU A 806 -32.344 58.415 -15.212 1.00 13.21 O ATOM 967 OE2 GLU A 806 -31.887 60.548 -15.480 1.00 40.11 O ATOM 0 H GLU A 806 -28.464 58.713 -11.504 1.00 70.30 H new ATOM 0 HA GLU A 806 -30.540 60.394 -12.355 1.00 21.35 H new ATOM 0 HB2 GLU A 806 -29.312 57.868 -13.086 1.00 71.13 H new ATOM 0 HB3 GLU A 806 -31.055 57.729 -13.211 1.00 71.13 H new ATOM 0 HG2 GLU A 806 -29.699 60.135 -14.404 1.00 10.13 H new ATOM 0 HG3 GLU A 806 -29.593 58.599 -15.241 1.00 10.13 H new ATOM 974 N LEU A 807 -31.502 57.839 -10.485 1.00 32.04 N ATOM 975 CA LEU A 807 -32.598 57.335 -9.664 1.00 74.25 C ATOM 976 C LEU A 807 -32.851 58.250 -8.471 1.00 53.40 C ATOM 977 O LEU A 807 -33.993 58.442 -8.052 1.00 72.23 O ATOM 978 CB LEU A 807 -32.288 55.918 -9.178 1.00 42.21 C ATOM 979 CG LEU A 807 -32.719 54.781 -10.105 1.00 31.23 C ATOM 980 CD1 LEU A 807 -34.226 54.798 -10.306 1.00 15.45 C ATOM 981 CD2 LEU A 807 -32.000 54.880 -11.442 1.00 2.40 C ATOM 0 H LEU A 807 -30.663 57.259 -10.470 1.00 32.04 H new ATOM 0 HA LEU A 807 -33.498 57.313 -10.278 1.00 74.25 H new ATOM 0 HB2 LEU A 807 -31.213 55.839 -9.014 1.00 42.21 H new ATOM 0 HB3 LEU A 807 -32.769 55.774 -8.211 1.00 42.21 H new ATOM 0 HG LEU A 807 -32.446 53.835 -9.638 1.00 31.23 H new ATOM 0 HD11 LEU A 807 -34.514 53.982 -10.968 1.00 15.45 H new ATOM 0 HD12 LEU A 807 -34.723 54.677 -9.343 1.00 15.45 H new ATOM 0 HD13 LEU A 807 -34.523 55.748 -10.750 1.00 15.45 H new ATOM 0 HD21 LEU A 807 -32.320 54.063 -12.088 1.00 2.40 H new ATOM 0 HD22 LEU A 807 -32.241 55.832 -11.915 1.00 2.40 H new ATOM 0 HD23 LEU A 807 -30.924 54.816 -11.282 1.00 2.40 H new ATOM 993 N LYS A 808 -31.779 58.816 -7.928 1.00 44.11 N ATOM 994 CA LYS A 808 -31.883 59.715 -6.785 1.00 1.11 C ATOM 995 C LYS A 808 -32.604 61.003 -7.170 1.00 2.13 C ATOM 996 O LYS A 808 -33.646 61.334 -6.606 1.00 73.34 O ATOM 997 CB LYS A 808 -30.491 60.041 -6.238 1.00 35.15 C ATOM 998 CG LYS A 808 -30.494 60.451 -4.775 1.00 21.20 C ATOM 999 CD LYS A 808 -30.720 59.258 -3.862 1.00 22.42 C ATOM 1000 CE LYS A 808 -29.410 58.568 -3.511 1.00 11.53 C ATOM 1001 NZ LYS A 808 -28.996 57.597 -4.561 1.00 5.33 N ATOM 0 H LYS A 808 -30.827 58.668 -8.262 1.00 44.11 H new ATOM 0 HA LYS A 808 -32.462 59.212 -6.011 1.00 1.11 H new ATOM 0 HB2 LYS A 808 -29.848 59.170 -6.361 1.00 35.15 H new ATOM 0 HB3 LYS A 808 -30.056 60.845 -6.831 1.00 35.15 H new ATOM 0 HG2 LYS A 808 -29.544 60.925 -4.527 1.00 21.20 H new ATOM 0 HG3 LYS A 808 -31.274 61.193 -4.606 1.00 21.20 H new ATOM 0 HD2 LYS A 808 -31.216 59.586 -2.948 1.00 22.42 H new ATOM 0 HD3 LYS A 808 -31.388 58.547 -4.349 1.00 22.42 H new ATOM 0 HE2 LYS A 808 -28.629 59.317 -3.380 1.00 11.53 H new ATOM 0 HE3 LYS A 808 -29.517 58.049 -2.558 1.00 11.53 H new ATOM 0 HZ1 LYS A 808 -28.484 56.806 -4.120 1.00 5.33 H new ATOM 0 HZ2 LYS A 808 -29.839 57.234 -5.050 1.00 5.33 H new ATOM 0 HZ3 LYS A 808 -28.375 58.071 -5.247 1.00 5.33 H new ATOM 1015 N ASN A 809 -32.042 61.725 -8.133 1.00 43.35 N ATOM 1016 CA ASN A 809 -32.632 62.977 -8.594 1.00 31.20 C ATOM 1017 C ASN A 809 -34.065 62.760 -9.070 1.00 34.44 C ATOM 1018 O ASN A 809 -34.962 63.539 -8.747 1.00 71.21 O ATOM 1019 CB ASN A 809 -31.793 63.575 -9.725 1.00 2.13 C ATOM 1020 CG ASN A 809 -32.553 64.620 -10.518 1.00 51.14 C ATOM 1021 OD1 ASN A 809 -33.371 65.359 -9.970 1.00 4.03 O ATOM 1022 ND2 ASN A 809 -32.286 64.686 -11.818 1.00 32.24 N ATOM 0 H ASN A 809 -31.179 61.465 -8.610 1.00 43.35 H new ATOM 0 HA ASN A 809 -32.647 63.673 -7.755 1.00 31.20 H new ATOM 0 HB2 ASN A 809 -30.892 64.024 -9.307 1.00 2.13 H new ATOM 0 HB3 ASN A 809 -31.470 62.778 -10.395 1.00 2.13 H new ATOM 0 HD21 ASN A 809 -32.767 65.369 -12.403 1.00 32.24 H new ATOM 0 HD22 ASN A 809 -31.600 64.054 -12.231 1.00 32.24 H new ATOM 1029 N SER A 810 -34.273 61.695 -9.838 1.00 13.12 N ATOM 1030 CA SER A 810 -35.597 61.376 -10.361 1.00 3.52 C ATOM 1031 C SER A 810 -36.570 61.071 -9.226 1.00 60.23 C ATOM 1032 O SER A 810 -37.658 61.642 -9.156 1.00 63.13 O ATOM 1033 CB SER A 810 -35.517 60.184 -11.315 1.00 75.53 C ATOM 1034 OG SER A 810 -36.784 59.901 -11.885 1.00 42.53 O ATOM 0 H SER A 810 -33.542 61.039 -10.112 1.00 13.12 H new ATOM 0 HA SER A 810 -35.965 62.245 -10.907 1.00 3.52 H new ATOM 0 HB2 SER A 810 -34.798 60.395 -12.106 1.00 75.53 H new ATOM 0 HB3 SER A 810 -35.152 59.308 -10.778 1.00 75.53 H new ATOM 0 HG SER A 810 -36.706 59.136 -12.492 1.00 42.53 H new ATOM 1040 N ALA A 811 -36.170 60.165 -8.340 1.00 3.33 N ATOM 1041 CA ALA A 811 -37.004 59.784 -7.207 1.00 54.21 C ATOM 1042 C ALA A 811 -37.486 61.012 -6.442 1.00 42.41 C ATOM 1043 O ALA A 811 -38.682 61.178 -6.203 1.00 30.20 O ATOM 1044 CB ALA A 811 -36.242 58.848 -6.281 1.00 1.42 C ATOM 0 H ALA A 811 -35.273 59.681 -8.385 1.00 3.33 H new ATOM 0 HA ALA A 811 -37.880 59.262 -7.592 1.00 54.21 H new ATOM 0 HB1 ALA A 811 -36.877 58.572 -5.439 1.00 1.42 H new ATOM 0 HB2 ALA A 811 -35.954 57.950 -6.828 1.00 1.42 H new ATOM 0 HB3 ALA A 811 -35.348 59.350 -5.911 1.00 1.42 H new ATOM 1050 N VAL A 812 -36.546 61.872 -6.060 1.00 33.54 N ATOM 1051 CA VAL A 812 -36.875 63.085 -5.322 1.00 10.23 C ATOM 1052 C VAL A 812 -37.754 64.013 -6.153 1.00 35.42 C ATOM 1053 O VAL A 812 -38.656 64.664 -5.628 1.00 55.13 O ATOM 1054 CB VAL A 812 -35.604 63.845 -4.897 1.00 15.13 C ATOM 1055 CG1 VAL A 812 -35.969 65.120 -4.151 1.00 22.45 C ATOM 1056 CG2 VAL A 812 -34.712 62.955 -4.045 1.00 1.33 C ATOM 0 H VAL A 812 -35.551 61.750 -6.250 1.00 33.54 H new ATOM 0 HA VAL A 812 -37.420 62.775 -4.430 1.00 10.23 H new ATOM 0 HB VAL A 812 -35.050 64.123 -5.794 1.00 15.13 H new ATOM 0 HG11 VAL A 812 -35.059 65.644 -3.859 1.00 22.45 H new ATOM 0 HG12 VAL A 812 -36.565 65.763 -4.799 1.00 22.45 H new ATOM 0 HG13 VAL A 812 -36.545 64.868 -3.260 1.00 22.45 H new ATOM 0 HG21 VAL A 812 -33.819 63.507 -3.753 1.00 1.33 H new ATOM 0 HG22 VAL A 812 -35.254 62.645 -3.152 1.00 1.33 H new ATOM 0 HG23 VAL A 812 -34.423 62.074 -4.618 1.00 1.33 H new ATOM 1066 N ASN A 813 -37.485 64.066 -7.453 1.00 52.23 N ATOM 1067 CA ASN A 813 -38.252 64.914 -8.358 1.00 54.33 C ATOM 1068 C ASN A 813 -39.691 64.420 -8.479 1.00 23.11 C ATOM 1069 O ASN A 813 -40.624 65.215 -8.597 1.00 33.23 O ATOM 1070 CB ASN A 813 -37.595 64.948 -9.740 1.00 31.44 C ATOM 1071 CG ASN A 813 -38.239 65.965 -10.662 1.00 21.22 C ATOM 1072 OD1 ASN A 813 -38.995 66.829 -10.219 1.00 52.41 O ATOM 1073 ND2 ASN A 813 -37.941 65.865 -11.952 1.00 41.31 N ATOM 0 H ASN A 813 -36.742 63.532 -7.903 1.00 52.23 H new ATOM 0 HA ASN A 813 -38.266 65.923 -7.945 1.00 54.33 H new ATOM 0 HB2 ASN A 813 -36.536 65.181 -9.630 1.00 31.44 H new ATOM 0 HB3 ASN A 813 -37.658 63.959 -10.194 1.00 31.44 H new ATOM 0 HD21 ASN A 813 -38.344 66.521 -12.621 1.00 41.31 H new ATOM 0 HD22 ASN A 813 -37.309 65.132 -12.274 1.00 41.31 H new ATOM 1080 N LEU A 814 -39.862 63.103 -8.448 1.00 51.02 N ATOM 1081 CA LEU A 814 -41.187 62.501 -8.553 1.00 41.33 C ATOM 1082 C LEU A 814 -41.997 62.742 -7.283 1.00 44.02 C ATOM 1083 O LEU A 814 -43.182 63.073 -7.343 1.00 5.31 O ATOM 1084 CB LEU A 814 -41.067 61.000 -8.818 1.00 70.53 C ATOM 1085 CG LEU A 814 -42.263 60.342 -9.508 1.00 42.14 C ATOM 1086 CD1 LEU A 814 -42.181 60.533 -11.015 1.00 24.51 C ATOM 1087 CD2 LEU A 814 -42.333 58.863 -9.159 1.00 31.31 C ATOM 0 H LEU A 814 -39.100 62.432 -8.351 1.00 51.02 H new ATOM 0 HA LEU A 814 -41.707 62.971 -9.388 1.00 41.33 H new ATOM 0 HB2 LEU A 814 -40.181 60.829 -9.430 1.00 70.53 H new ATOM 0 HB3 LEU A 814 -40.899 60.496 -7.866 1.00 70.53 H new ATOM 0 HG LEU A 814 -43.174 60.822 -9.150 1.00 42.14 H new ATOM 0 HD11 LEU A 814 -43.040 60.058 -11.489 1.00 24.51 H new ATOM 0 HD12 LEU A 814 -42.181 61.598 -11.247 1.00 24.51 H new ATOM 0 HD13 LEU A 814 -41.263 60.080 -11.390 1.00 24.51 H new ATOM 0 HD21 LEU A 814 -43.190 58.411 -9.659 1.00 31.31 H new ATOM 0 HD22 LEU A 814 -41.419 58.368 -9.487 1.00 31.31 H new ATOM 0 HD23 LEU A 814 -42.440 58.748 -8.080 1.00 31.31 H new ATOM 1099 N LEU A 815 -41.350 62.575 -6.135 1.00 43.51 N ATOM 1100 CA LEU A 815 -42.009 62.777 -4.849 1.00 63.13 C ATOM 1101 C LEU A 815 -42.451 64.228 -4.685 1.00 61.54 C ATOM 1102 O LEU A 815 -43.605 64.502 -4.359 1.00 23.25 O ATOM 1103 CB LEU A 815 -41.071 62.385 -3.706 1.00 43.52 C ATOM 1104 CG LEU A 815 -40.627 60.922 -3.673 1.00 15.43 C ATOM 1105 CD1 LEU A 815 -39.410 60.754 -2.777 1.00 61.22 C ATOM 1106 CD2 LEU A 815 -41.767 60.031 -3.201 1.00 23.24 C ATOM 0 H LEU A 815 -40.370 62.300 -6.068 1.00 43.51 H new ATOM 0 HA LEU A 815 -42.894 62.142 -4.819 1.00 63.13 H new ATOM 0 HB2 LEU A 815 -40.181 63.013 -3.761 1.00 43.52 H new ATOM 0 HB3 LEU A 815 -41.565 62.615 -2.762 1.00 43.52 H new ATOM 0 HG LEU A 815 -40.352 60.622 -4.684 1.00 15.43 H new ATOM 0 HD11 LEU A 815 -39.108 59.707 -2.766 1.00 61.22 H new ATOM 0 HD12 LEU A 815 -38.591 61.364 -3.158 1.00 61.22 H new ATOM 0 HD13 LEU A 815 -39.657 61.071 -1.764 1.00 61.22 H new ATOM 0 HD21 LEU A 815 -41.434 58.993 -3.183 1.00 23.24 H new ATOM 0 HD22 LEU A 815 -42.072 60.331 -2.199 1.00 23.24 H new ATOM 0 HD23 LEU A 815 -42.612 60.130 -3.883 1.00 23.24 H new ATOM 1118 N ASN A 816 -41.525 65.153 -4.917 1.00 31.31 N ATOM 1119 CA ASN A 816 -41.820 66.576 -4.796 1.00 70.15 C ATOM 1120 C ASN A 816 -42.919 66.988 -5.771 1.00 12.01 C ATOM 1121 O ASN A 816 -43.962 67.501 -5.366 1.00 21.24 O ATOM 1122 CB ASN A 816 -40.559 67.403 -5.054 1.00 23.14 C ATOM 1123 CG ASN A 816 -40.386 68.522 -4.045 1.00 42.44 C ATOM 1124 OD1 ASN A 816 -41.161 69.478 -4.024 1.00 12.43 O ATOM 1125 ND2 ASN A 816 -39.365 68.408 -3.204 1.00 43.31 N ATOM 0 H ASN A 816 -40.565 64.943 -5.190 1.00 31.31 H new ATOM 0 HA ASN A 816 -42.169 66.764 -3.781 1.00 70.15 H new ATOM 0 HB2 ASN A 816 -39.687 66.750 -5.022 1.00 23.14 H new ATOM 0 HB3 ASN A 816 -40.604 67.826 -6.058 1.00 23.14 H new ATOM 0 HD21 ASN A 816 -39.198 69.131 -2.504 1.00 43.31 H new ATOM 0 HD22 ASN A 816 -38.748 67.598 -3.258 1.00 43.31 H new ATOM 1132 N ALA A 817 -42.678 66.759 -7.058 1.00 1.43 N ATOM 1133 CA ALA A 817 -43.648 67.104 -8.090 1.00 3.22 C ATOM 1134 C ALA A 817 -45.030 66.557 -7.749 1.00 63.13 C ATOM 1135 O ALA A 817 -46.039 67.245 -7.909 1.00 63.10 O ATOM 1136 CB ALA A 817 -43.189 66.579 -9.442 1.00 5.10 C ATOM 0 H ALA A 817 -41.819 66.336 -7.411 1.00 1.43 H new ATOM 0 HA ALA A 817 -43.718 68.191 -8.139 1.00 3.22 H new ATOM 0 HB1 ALA A 817 -43.923 66.844 -10.203 1.00 5.10 H new ATOM 0 HB2 ALA A 817 -42.226 67.022 -9.696 1.00 5.10 H new ATOM 0 HB3 ALA A 817 -43.089 65.495 -9.396 1.00 5.10 H new ATOM 1142 N THR A 818 -45.070 65.314 -7.279 1.00 62.13 N ATOM 1143 CA THR A 818 -46.328 64.674 -6.918 1.00 72.51 C ATOM 1144 C THR A 818 -47.009 65.408 -5.769 1.00 1.21 C ATOM 1145 O THR A 818 -48.225 65.598 -5.775 1.00 3.21 O ATOM 1146 CB THR A 818 -46.115 63.202 -6.517 1.00 24.23 C ATOM 1147 OG1 THR A 818 -45.673 62.444 -7.649 1.00 10.41 O ATOM 1148 CG2 THR A 818 -47.399 62.599 -5.967 1.00 5.24 C ATOM 0 H THR A 818 -44.245 64.731 -7.140 1.00 62.13 H new ATOM 0 HA THR A 818 -46.967 64.714 -7.800 1.00 72.51 H new ATOM 0 HB THR A 818 -45.353 63.168 -5.738 1.00 24.23 H new ATOM 0 HG1 THR A 818 -44.803 62.781 -7.949 1.00 10.41 H new ATOM 0 HG21 THR A 818 -47.224 61.559 -5.691 1.00 5.24 H new ATOM 0 HG22 THR A 818 -47.717 63.159 -5.088 1.00 5.24 H new ATOM 0 HG23 THR A 818 -48.178 62.646 -6.728 1.00 5.24 H new ATOM 1156 N ALA A 819 -46.217 65.820 -4.784 1.00 60.22 N ATOM 1157 CA ALA A 819 -46.744 66.536 -3.629 1.00 44.43 C ATOM 1158 C ALA A 819 -47.331 67.883 -4.039 1.00 62.44 C ATOM 1159 O ALA A 819 -48.368 68.301 -3.524 1.00 21.20 O ATOM 1160 CB ALA A 819 -45.653 66.730 -2.586 1.00 31.20 C ATOM 0 H ALA A 819 -45.208 65.670 -4.763 1.00 60.22 H new ATOM 0 HA ALA A 819 -47.545 65.937 -3.195 1.00 44.43 H new ATOM 0 HB1 ALA A 819 -46.060 67.266 -1.729 1.00 31.20 H new ATOM 0 HB2 ALA A 819 -45.282 65.758 -2.263 1.00 31.20 H new ATOM 0 HB3 ALA A 819 -44.835 67.306 -3.018 1.00 31.20 H new ATOM 1166 N ILE A 820 -46.661 68.557 -4.968 1.00 71.54 N ATOM 1167 CA ILE A 820 -47.118 69.855 -5.447 1.00 43.32 C ATOM 1168 C ILE A 820 -48.405 69.722 -6.254 1.00 2.40 C ATOM 1169 O ILE A 820 -49.276 70.590 -6.200 1.00 4.20 O ATOM 1170 CB ILE A 820 -46.048 70.542 -6.317 1.00 54.31 C ATOM 1171 CG1 ILE A 820 -44.752 70.720 -5.524 1.00 42.04 C ATOM 1172 CG2 ILE A 820 -46.557 71.885 -6.819 1.00 40.42 C ATOM 1173 CD1 ILE A 820 -44.935 71.480 -4.229 1.00 43.14 C ATOM 0 H ILE A 820 -45.800 68.225 -5.403 1.00 71.54 H new ATOM 0 HA ILE A 820 -47.307 70.468 -4.566 1.00 43.32 H new ATOM 0 HB ILE A 820 -45.840 69.909 -7.179 1.00 54.31 H new ATOM 0 HG12 ILE A 820 -44.333 69.738 -5.303 1.00 42.04 H new ATOM 0 HG13 ILE A 820 -44.025 71.245 -6.144 1.00 42.04 H new ATOM 0 HG21 ILE A 820 -45.790 72.359 -7.432 1.00 40.42 H new ATOM 0 HG22 ILE A 820 -47.456 71.733 -7.416 1.00 40.42 H new ATOM 0 HG23 ILE A 820 -46.790 72.527 -5.969 1.00 40.42 H new ATOM 0 HD11 ILE A 820 -43.975 71.568 -3.720 1.00 43.14 H new ATOM 0 HD12 ILE A 820 -45.325 72.475 -4.443 1.00 43.14 H new ATOM 0 HD13 ILE A 820 -45.637 70.945 -3.589 1.00 43.14 H new ATOM 1185 N ALA A 821 -48.518 68.629 -7.001 1.00 34.25 N ATOM 1186 CA ALA A 821 -49.701 68.380 -7.816 1.00 22.33 C ATOM 1187 C ALA A 821 -50.859 67.873 -6.963 1.00 21.02 C ATOM 1188 O ALA A 821 -52.026 68.072 -7.301 1.00 62.21 O ATOM 1189 CB ALA A 821 -49.380 67.383 -8.920 1.00 14.12 C ATOM 0 H ALA A 821 -47.805 67.902 -7.059 1.00 34.25 H new ATOM 0 HA ALA A 821 -50.005 69.323 -8.270 1.00 22.33 H new ATOM 0 HB1 ALA A 821 -50.272 67.206 -9.521 1.00 14.12 H new ATOM 0 HB2 ALA A 821 -48.589 67.784 -9.554 1.00 14.12 H new ATOM 0 HB3 ALA A 821 -49.049 66.444 -8.477 1.00 14.12 H new ATOM 1195 N VAL A 822 -50.529 67.216 -5.855 1.00 41.41 N ATOM 1196 CA VAL A 822 -51.542 66.681 -4.953 1.00 41.22 C ATOM 1197 C VAL A 822 -51.986 67.731 -3.941 1.00 74.01 C ATOM 1198 O VAL A 822 -53.117 67.701 -3.457 1.00 14.40 O ATOM 1199 CB VAL A 822 -51.023 65.443 -4.198 1.00 11.10 C ATOM 1200 CG1 VAL A 822 -52.026 65.001 -3.143 1.00 54.54 C ATOM 1201 CG2 VAL A 822 -50.727 64.312 -5.171 1.00 22.44 C ATOM 0 H VAL A 822 -49.568 67.042 -5.561 1.00 41.41 H new ATOM 0 HA VAL A 822 -52.393 66.391 -5.569 1.00 41.22 H new ATOM 0 HB VAL A 822 -50.095 65.710 -3.693 1.00 11.10 H new ATOM 0 HG11 VAL A 822 -51.642 64.125 -2.620 1.00 54.54 H new ATOM 0 HG12 VAL A 822 -52.183 65.810 -2.429 1.00 54.54 H new ATOM 0 HG13 VAL A 822 -52.972 64.751 -3.623 1.00 54.54 H new ATOM 0 HG21 VAL A 822 -50.361 63.445 -4.621 1.00 22.44 H new ATOM 0 HG22 VAL A 822 -51.638 64.044 -5.706 1.00 22.44 H new ATOM 0 HG23 VAL A 822 -49.969 64.635 -5.885 1.00 22.44 H new ATOM 1211 N ALA A 823 -51.089 68.659 -3.626 1.00 25.31 N ATOM 1212 CA ALA A 823 -51.389 69.720 -2.673 1.00 41.00 C ATOM 1213 C ALA A 823 -52.516 70.612 -3.182 1.00 51.02 C ATOM 1214 O ALA A 823 -53.206 71.263 -2.398 1.00 73.25 O ATOM 1215 CB ALA A 823 -50.143 70.548 -2.395 1.00 21.31 C ATOM 0 H ALA A 823 -50.148 68.698 -4.017 1.00 25.31 H new ATOM 0 HA ALA A 823 -51.719 69.257 -1.743 1.00 41.00 H new ATOM 0 HB1 ALA A 823 -50.382 71.337 -1.682 1.00 21.31 H new ATOM 0 HB2 ALA A 823 -49.365 69.907 -1.980 1.00 21.31 H new ATOM 0 HB3 ALA A 823 -49.788 70.994 -3.324 1.00 21.31 H new ATOM 1243 N THR A 826 -57.640 67.545 -2.767 1.00 42.21 N ATOM 1244 CA THR A 826 -57.968 67.011 -1.452 1.00 32.05 C ATOM 1245 C THR A 826 -57.178 65.740 -1.162 1.00 35.25 C ATOM 1246 O THR A 826 -57.064 65.318 -0.011 1.00 20.33 O ATOM 1247 CB THR A 826 -59.473 66.706 -1.329 1.00 11.24 C ATOM 1248 OG1 THR A 826 -60.235 67.734 -1.971 1.00 72.04 O ATOM 1249 CG2 THR A 826 -59.886 66.600 0.132 1.00 71.44 C ATOM 0 HA THR A 826 -57.699 67.776 -0.724 1.00 32.05 H new ATOM 0 HB THR A 826 -59.669 65.751 -1.816 1.00 11.24 H new ATOM 0 HG1 THR A 826 -59.696 68.148 -2.677 1.00 72.04 H new ATOM 0 HG21 THR A 826 -60.953 66.384 0.194 1.00 71.44 H new ATOM 0 HG22 THR A 826 -59.325 65.798 0.611 1.00 71.44 H new ATOM 0 HG23 THR A 826 -59.676 67.542 0.639 1.00 71.44 H new ATOM 1257 N ASP A 827 -56.635 65.134 -2.212 1.00 11.15 N ATOM 1258 CA ASP A 827 -55.854 63.911 -2.069 1.00 42.00 C ATOM 1259 C ASP A 827 -54.767 64.081 -1.012 1.00 62.42 C ATOM 1260 O ASP A 827 -54.468 63.152 -0.261 1.00 3.32 O ATOM 1261 CB ASP A 827 -55.224 63.524 -3.408 1.00 75.41 C ATOM 1262 CG ASP A 827 -54.279 62.345 -3.284 1.00 20.00 C ATOM 1263 OD1 ASP A 827 -54.444 61.549 -2.335 1.00 45.25 O ATOM 1264 OD2 ASP A 827 -53.375 62.218 -4.136 1.00 20.12 O ATOM 0 H ASP A 827 -56.721 65.470 -3.171 1.00 11.15 H new ATOM 0 HA ASP A 827 -56.526 63.115 -1.749 1.00 42.00 H new ATOM 0 HB2 ASP A 827 -56.012 63.281 -4.120 1.00 75.41 H new ATOM 0 HB3 ASP A 827 -54.682 64.379 -3.812 1.00 75.41 H new ATOM 1269 N ARG A 828 -54.179 65.271 -0.961 1.00 42.32 N ATOM 1270 CA ARG A 828 -53.123 65.562 0.002 1.00 74.42 C ATOM 1271 C ARG A 828 -53.650 65.466 1.431 1.00 40.02 C ATOM 1272 O ARG A 828 -53.167 64.663 2.229 1.00 34.41 O ATOM 1273 CB ARG A 828 -52.545 66.956 -0.248 1.00 33.22 C ATOM 1274 CG ARG A 828 -51.199 67.185 0.420 1.00 52.42 C ATOM 1275 CD ARG A 828 -50.086 66.443 -0.302 1.00 5.00 C ATOM 1276 NE ARG A 828 -48.883 66.329 0.518 1.00 23.34 N ATOM 1277 CZ ARG A 828 -48.069 67.347 0.775 1.00 21.33 C ATOM 1278 NH1 ARG A 828 -48.328 68.548 0.279 1.00 40.42 N ATOM 1279 NH2 ARG A 828 -46.994 67.164 1.531 1.00 65.42 N ATOM 0 H ARG A 828 -54.416 66.050 -1.575 1.00 42.32 H new ATOM 0 HA ARG A 828 -52.334 64.821 -0.127 1.00 74.42 H new ATOM 0 HB2 ARG A 828 -52.439 67.109 -1.322 1.00 33.22 H new ATOM 0 HB3 ARG A 828 -53.252 67.703 0.112 1.00 33.22 H new ATOM 0 HG2 ARG A 828 -50.976 68.252 0.436 1.00 52.42 H new ATOM 0 HG3 ARG A 828 -51.245 66.854 1.457 1.00 52.42 H new ATOM 0 HD2 ARG A 828 -50.433 65.447 -0.577 1.00 5.00 H new ATOM 0 HD3 ARG A 828 -49.845 66.964 -1.229 1.00 5.00 H new ATOM 0 HE ARG A 828 -48.655 65.418 0.915 1.00 23.34 H new ATOM 0 HH11 ARG A 828 -49.154 68.693 -0.302 1.00 40.42 H new ATOM 0 HH12 ARG A 828 -47.701 69.328 0.478 1.00 40.42 H new ATOM 0 HH21 ARG A 828 -46.792 66.241 1.915 1.00 65.42 H new ATOM 0 HH22 ARG A 828 -46.370 67.946 1.728 1.00 65.42 H new ATOM 1293 N VAL A 829 -54.643 66.292 1.747 1.00 63.23 N ATOM 1294 CA VAL A 829 -55.235 66.300 3.079 1.00 54.32 C ATOM 1295 C VAL A 829 -55.670 64.900 3.496 1.00 74.13 C ATOM 1296 O VAL A 829 -55.410 64.467 4.619 1.00 72.23 O ATOM 1297 CB VAL A 829 -56.450 67.245 3.147 1.00 72.35 C ATOM 1298 CG1 VAL A 829 -57.077 67.211 4.532 1.00 23.42 C ATOM 1299 CG2 VAL A 829 -56.044 68.662 2.771 1.00 74.24 C ATOM 0 H VAL A 829 -55.054 66.964 1.099 1.00 63.23 H new ATOM 0 HA VAL A 829 -54.467 66.657 3.765 1.00 54.32 H new ATOM 0 HB VAL A 829 -57.195 66.902 2.429 1.00 72.35 H new ATOM 0 HG11 VAL A 829 -57.933 67.885 4.560 1.00 23.42 H new ATOM 0 HG12 VAL A 829 -57.406 66.197 4.758 1.00 23.42 H new ATOM 0 HG13 VAL A 829 -56.342 67.527 5.272 1.00 23.42 H new ATOM 0 HG21 VAL A 829 -56.914 69.316 2.824 1.00 74.24 H new ATOM 0 HG22 VAL A 829 -55.280 69.017 3.463 1.00 74.24 H new ATOM 0 HG23 VAL A 829 -55.646 68.669 1.756 1.00 74.24 H new ATOM 1309 N ILE A 830 -56.333 64.196 2.584 1.00 14.41 N ATOM 1310 CA ILE A 830 -56.803 62.844 2.857 1.00 71.22 C ATOM 1311 C ILE A 830 -55.634 61.886 3.060 1.00 42.24 C ATOM 1312 O ILE A 830 -55.675 61.016 3.929 1.00 54.41 O ATOM 1313 CB ILE A 830 -57.692 62.316 1.716 1.00 75.23 C ATOM 1314 CG1 ILE A 830 -58.907 63.226 1.524 1.00 52.25 C ATOM 1315 CG2 ILE A 830 -58.134 60.889 2.005 1.00 64.22 C ATOM 1316 CD1 ILE A 830 -59.838 63.251 2.715 1.00 34.33 C ATOM 0 H ILE A 830 -56.556 64.540 1.650 1.00 14.41 H new ATOM 0 HA ILE A 830 -57.392 62.894 3.773 1.00 71.22 H new ATOM 0 HB ILE A 830 -57.111 62.316 0.794 1.00 75.23 H new ATOM 0 HG12 ILE A 830 -58.563 64.240 1.321 1.00 52.25 H new ATOM 0 HG13 ILE A 830 -59.462 62.896 0.646 1.00 52.25 H new ATOM 0 HG21 ILE A 830 -58.762 60.530 1.189 1.00 64.22 H new ATOM 0 HG22 ILE A 830 -57.257 60.248 2.097 1.00 64.22 H new ATOM 0 HG23 ILE A 830 -58.700 60.865 2.936 1.00 64.22 H new ATOM 0 HD11 ILE A 830 -60.676 63.916 2.508 1.00 34.33 H new ATOM 0 HD12 ILE A 830 -60.212 62.245 2.906 1.00 34.33 H new ATOM 0 HD13 ILE A 830 -59.298 63.610 3.591 1.00 34.33 H new ATOM 1328 N GLU A 831 -54.591 62.054 2.252 1.00 13.40 N ATOM 1329 CA GLU A 831 -53.410 61.205 2.344 1.00 23.11 C ATOM 1330 C GLU A 831 -52.794 61.278 3.739 1.00 52.44 C ATOM 1331 O GLU A 831 -52.558 60.254 4.380 1.00 41.41 O ATOM 1332 CB GLU A 831 -52.375 61.618 1.295 1.00 24.45 C ATOM 1333 CG GLU A 831 -51.085 60.818 1.366 1.00 63.32 C ATOM 1334 CD GLU A 831 -50.031 61.323 0.400 1.00 52.45 C ATOM 1335 OE1 GLU A 831 -49.907 60.745 -0.700 1.00 30.31 O ATOM 1336 OE2 GLU A 831 -49.331 62.299 0.743 1.00 30.25 O ATOM 0 H GLU A 831 -54.541 62.770 1.527 1.00 13.40 H new ATOM 0 HA GLU A 831 -53.718 60.177 2.155 1.00 23.11 H new ATOM 0 HB2 GLU A 831 -52.810 61.503 0.302 1.00 24.45 H new ATOM 0 HB3 GLU A 831 -52.144 62.676 1.421 1.00 24.45 H new ATOM 0 HG2 GLU A 831 -50.691 60.860 2.382 1.00 63.32 H new ATOM 0 HG3 GLU A 831 -51.299 59.771 1.150 1.00 63.32 H new ATOM 1343 N VAL A 832 -52.536 62.497 4.202 1.00 53.42 N ATOM 1344 CA VAL A 832 -51.949 62.706 5.520 1.00 61.02 C ATOM 1345 C VAL A 832 -52.913 62.286 6.624 1.00 41.02 C ATOM 1346 O VAL A 832 -52.498 61.768 7.662 1.00 51.14 O ATOM 1347 CB VAL A 832 -51.554 64.180 5.731 1.00 21.44 C ATOM 1348 CG1 VAL A 832 -52.759 65.088 5.540 1.00 3.35 C ATOM 1349 CG2 VAL A 832 -50.942 64.374 7.111 1.00 54.03 C ATOM 0 H VAL A 832 -52.724 63.355 3.684 1.00 53.42 H new ATOM 0 HA VAL A 832 -51.053 62.087 5.569 1.00 61.02 H new ATOM 0 HB VAL A 832 -50.806 64.449 4.986 1.00 21.44 H new ATOM 0 HG11 VAL A 832 -52.461 66.125 5.693 1.00 3.35 H new ATOM 0 HG12 VAL A 832 -53.149 64.968 4.529 1.00 3.35 H new ATOM 0 HG13 VAL A 832 -53.532 64.823 6.261 1.00 3.35 H new ATOM 0 HG21 VAL A 832 -50.669 65.421 7.244 1.00 54.03 H new ATOM 0 HG22 VAL A 832 -51.667 64.089 7.874 1.00 54.03 H new ATOM 0 HG23 VAL A 832 -50.052 63.752 7.205 1.00 54.03 H new ATOM 1359 N LEU A 833 -54.202 62.512 6.394 1.00 65.13 N ATOM 1360 CA LEU A 833 -55.227 62.156 7.369 1.00 44.32 C ATOM 1361 C LEU A 833 -55.173 60.668 7.697 1.00 23.24 C ATOM 1362 O LEU A 833 -54.967 60.284 8.848 1.00 4.24 O ATOM 1363 CB LEU A 833 -56.613 62.523 6.837 1.00 33.01 C ATOM 1364 CG LEU A 833 -57.721 62.650 7.883 1.00 12.32 C ATOM 1365 CD1 LEU A 833 -57.351 63.691 8.929 1.00 71.23 C ATOM 1366 CD2 LEU A 833 -59.043 63.006 7.219 1.00 35.42 C ATOM 0 H LEU A 833 -54.562 62.940 5.541 1.00 65.13 H new ATOM 0 HA LEU A 833 -55.035 62.717 8.283 1.00 44.32 H new ATOM 0 HB2 LEU A 833 -56.536 63.469 6.302 1.00 33.01 H new ATOM 0 HB3 LEU A 833 -56.912 61.769 6.109 1.00 33.01 H new ATOM 0 HG LEU A 833 -57.835 61.688 8.382 1.00 12.32 H new ATOM 0 HD11 LEU A 833 -58.151 63.768 9.665 1.00 71.23 H new ATOM 0 HD12 LEU A 833 -56.428 63.395 9.427 1.00 71.23 H new ATOM 0 HD13 LEU A 833 -57.209 64.658 8.446 1.00 71.23 H new ATOM 0 HD21 LEU A 833 -59.820 63.092 7.979 1.00 35.42 H new ATOM 0 HD22 LEU A 833 -58.942 63.956 6.694 1.00 35.42 H new ATOM 0 HD23 LEU A 833 -59.315 62.225 6.509 1.00 35.42 H new ATOM 1378 N GLN A 834 -55.357 59.835 6.678 1.00 33.01 N ATOM 1379 CA GLN A 834 -55.328 58.388 6.859 1.00 10.52 C ATOM 1380 C GLN A 834 -53.954 57.927 7.332 1.00 24.23 C ATOM 1381 O GLN A 834 -53.843 57.109 8.245 1.00 10.45 O ATOM 1382 CB GLN A 834 -55.695 57.682 5.553 1.00 43.21 C ATOM 1383 CG GLN A 834 -54.798 58.059 4.385 1.00 43.31 C ATOM 1384 CD GLN A 834 -55.462 57.830 3.041 1.00 25.34 C ATOM 1385 OE1 GLN A 834 -54.899 57.177 2.161 1.00 11.45 O ATOM 1386 NE2 GLN A 834 -56.665 58.366 2.876 1.00 30.01 N ATOM 0 H GLN A 834 -55.528 60.137 5.719 1.00 33.01 H new ATOM 0 HA GLN A 834 -56.061 58.127 7.622 1.00 10.52 H new ATOM 0 HB2 GLN A 834 -55.645 56.604 5.706 1.00 43.21 H new ATOM 0 HB3 GLN A 834 -56.728 57.920 5.299 1.00 43.21 H new ATOM 0 HG2 GLN A 834 -54.516 59.108 4.472 1.00 43.31 H new ATOM 0 HG3 GLN A 834 -53.878 57.476 4.435 1.00 43.31 H new ATOM 0 HE21 GLN A 834 -57.094 58.899 3.632 1.00 30.01 H new ATOM 0 HE22 GLN A 834 -57.161 58.244 1.993 1.00 30.01 H new ATOM 1395 N ALA A 835 -52.909 58.456 6.704 1.00 24.22 N ATOM 1396 CA ALA A 835 -51.541 58.099 7.062 1.00 14.21 C ATOM 1397 C ALA A 835 -51.281 58.341 8.545 1.00 13.11 C ATOM 1398 O ALA A 835 -50.809 57.454 9.255 1.00 61.32 O ATOM 1399 CB ALA A 835 -50.552 58.886 6.216 1.00 61.05 C ATOM 0 H ALA A 835 -52.983 59.133 5.945 1.00 24.22 H new ATOM 0 HA ALA A 835 -51.406 57.036 6.865 1.00 14.21 H new ATOM 0 HB1 ALA A 835 -49.535 58.610 6.494 1.00 61.05 H new ATOM 0 HB2 ALA A 835 -50.714 58.660 5.162 1.00 61.05 H new ATOM 0 HB3 ALA A 835 -50.697 59.953 6.385 1.00 61.05 H new ATOM 1405 N ALA A 836 -51.592 59.548 9.006 1.00 10.15 N ATOM 1406 CA ALA A 836 -51.393 59.906 10.405 1.00 21.34 C ATOM 1407 C ALA A 836 -52.237 59.027 11.322 1.00 21.12 C ATOM 1408 O ALA A 836 -51.773 58.583 12.373 1.00 43.12 O ATOM 1409 CB ALA A 836 -51.724 61.374 10.627 1.00 11.10 C ATOM 0 H ALA A 836 -51.983 60.294 8.431 1.00 10.15 H new ATOM 0 HA ALA A 836 -50.344 59.741 10.651 1.00 21.34 H new ATOM 0 HB1 ALA A 836 -51.571 61.627 11.676 1.00 11.10 H new ATOM 0 HB2 ALA A 836 -51.075 61.991 10.006 1.00 11.10 H new ATOM 0 HB3 ALA A 836 -52.764 61.557 10.358 1.00 11.10 H new ATOM 1415 N TYR A 837 -53.478 58.780 10.919 1.00 71.12 N ATOM 1416 CA TYR A 837 -54.388 57.956 11.706 1.00 10.42 C ATOM 1417 C TYR A 837 -53.780 56.584 11.982 1.00 15.43 C ATOM 1418 O TYR A 837 -53.494 56.239 13.129 1.00 52.41 O ATOM 1419 CB TYR A 837 -55.724 57.798 10.979 1.00 73.30 C ATOM 1420 CG TYR A 837 -56.622 56.743 11.585 1.00 31.03 C ATOM 1421 CD1 TYR A 837 -57.359 55.883 10.780 1.00 43.24 C ATOM 1422 CD2 TYR A 837 -56.735 56.607 12.963 1.00 22.33 C ATOM 1423 CE1 TYR A 837 -58.181 54.918 11.329 1.00 41.41 C ATOM 1424 CE2 TYR A 837 -57.553 55.644 13.521 1.00 32.13 C ATOM 1425 CZ TYR A 837 -58.274 54.802 12.700 1.00 14.42 C ATOM 1426 OH TYR A 837 -59.092 53.843 13.252 1.00 21.02 O ATOM 0 H TYR A 837 -53.877 59.139 10.052 1.00 71.12 H new ATOM 0 HA TYR A 837 -54.558 58.456 12.660 1.00 10.42 H new ATOM 0 HB2 TYR A 837 -56.246 58.755 10.984 1.00 73.30 H new ATOM 0 HB3 TYR A 837 -55.533 57.545 9.936 1.00 73.30 H new ATOM 0 HD1 TYR A 837 -57.288 55.971 9.706 1.00 43.24 H new ATOM 0 HD2 TYR A 837 -56.174 57.266 13.609 1.00 22.33 H new ATOM 0 HE1 TYR A 837 -58.747 54.258 10.688 1.00 41.41 H new ATOM 0 HE2 TYR A 837 -57.628 55.551 14.594 1.00 32.13 H new ATOM 0 HH TYR A 837 -59.042 53.894 14.229 1.00 21.02 H new ATOM 1436 N ARG A 838 -53.586 55.807 10.922 1.00 30.44 N ATOM 1437 CA ARG A 838 -53.013 54.472 11.049 1.00 31.11 C ATOM 1438 C ARG A 838 -51.695 54.517 11.817 1.00 71.33 C ATOM 1439 O ARG A 838 -51.438 53.676 12.677 1.00 21.44 O ATOM 1440 CB ARG A 838 -52.790 53.856 9.667 1.00 43.45 C ATOM 1441 CG ARG A 838 -51.825 54.646 8.797 1.00 54.22 C ATOM 1442 CD ARG A 838 -51.778 54.099 7.379 1.00 53.13 C ATOM 1443 NE ARG A 838 -50.594 53.277 7.148 1.00 23.44 N ATOM 1444 CZ ARG A 838 -50.534 51.979 7.428 1.00 2.54 C ATOM 1445 NH1 ARG A 838 -51.586 51.360 7.946 1.00 41.41 N ATOM 1446 NH2 ARG A 838 -49.420 51.299 7.190 1.00 20.23 N ATOM 0 H ARG A 838 -53.817 56.078 9.966 1.00 30.44 H new ATOM 0 HA ARG A 838 -53.717 53.853 11.605 1.00 31.11 H new ATOM 0 HB2 ARG A 838 -52.410 52.841 9.788 1.00 43.45 H new ATOM 0 HB3 ARG A 838 -53.749 53.779 9.154 1.00 43.45 H new ATOM 0 HG2 ARG A 838 -52.127 55.693 8.774 1.00 54.22 H new ATOM 0 HG3 ARG A 838 -50.827 54.612 9.235 1.00 54.22 H new ATOM 0 HD2 ARG A 838 -52.673 53.507 7.189 1.00 53.13 H new ATOM 0 HD3 ARG A 838 -51.788 54.927 6.671 1.00 53.13 H new ATOM 0 HE ARG A 838 -49.768 53.723 6.750 1.00 23.44 H new ATOM 0 HH11 ARG A 838 -52.444 51.880 8.130 1.00 41.41 H new ATOM 0 HH12 ARG A 838 -51.537 50.364 8.160 1.00 41.41 H new ATOM 0 HH21 ARG A 838 -48.609 51.772 6.792 1.00 20.23 H new ATOM 0 HH22 ARG A 838 -49.375 50.303 7.405 1.00 20.23 H new ATOM 1460 N ALA A 839 -50.864 55.504 11.498 1.00 20.42 N ATOM 1461 CA ALA A 839 -49.574 55.659 12.158 1.00 22.25 C ATOM 1462 C ALA A 839 -49.727 55.637 13.676 1.00 54.35 C ATOM 1463 O ALA A 839 -49.191 54.758 14.351 1.00 44.35 O ATOM 1464 CB ALA A 839 -48.905 56.950 11.712 1.00 5.31 C ATOM 0 H ALA A 839 -51.061 56.208 10.787 1.00 20.42 H new ATOM 0 HA ALA A 839 -48.943 54.818 11.871 1.00 22.25 H new ATOM 0 HB1 ALA A 839 -47.942 57.053 12.213 1.00 5.31 H new ATOM 0 HB2 ALA A 839 -48.752 56.927 10.633 1.00 5.31 H new ATOM 0 HB3 ALA A 839 -49.541 57.797 11.970 1.00 5.31 H new ATOM 1470 N ILE A 840 -50.462 56.610 14.205 1.00 71.40 N ATOM 1471 CA ILE A 840 -50.686 56.701 15.642 1.00 22.04 C ATOM 1472 C ILE A 840 -51.626 55.601 16.124 1.00 63.25 C ATOM 1473 O ILE A 840 -51.776 55.380 17.325 1.00 2.24 O ATOM 1474 CB ILE A 840 -51.273 58.070 16.035 1.00 65.21 C ATOM 1475 CG1 ILE A 840 -51.280 58.228 17.557 1.00 51.53 C ATOM 1476 CG2 ILE A 840 -52.678 58.224 15.474 1.00 52.12 C ATOM 1477 CD1 ILE A 840 -51.495 59.654 18.015 1.00 44.15 C ATOM 0 H ILE A 840 -50.912 57.346 13.660 1.00 71.40 H new ATOM 0 HA ILE A 840 -49.714 56.580 16.120 1.00 22.04 H new ATOM 0 HB ILE A 840 -50.646 58.854 15.610 1.00 65.21 H new ATOM 0 HG12 ILE A 840 -52.065 57.598 17.976 1.00 51.53 H new ATOM 0 HG13 ILE A 840 -50.333 57.865 17.956 1.00 51.53 H new ATOM 0 HG21 ILE A 840 -53.079 59.196 15.760 1.00 52.12 H new ATOM 0 HG22 ILE A 840 -52.646 58.150 14.387 1.00 52.12 H new ATOM 0 HG23 ILE A 840 -53.317 57.436 15.872 1.00 52.12 H new ATOM 0 HD11 ILE A 840 -51.488 59.691 19.104 1.00 44.15 H new ATOM 0 HD12 ILE A 840 -50.697 60.286 17.625 1.00 44.15 H new ATOM 0 HD13 ILE A 840 -52.455 60.014 17.646 1.00 44.15 H new ATOM 1489 N ARG A 841 -52.255 54.912 15.177 1.00 11.01 N ATOM 1490 CA ARG A 841 -53.180 53.834 15.504 1.00 32.31 C ATOM 1491 C ARG A 841 -52.423 52.557 15.858 1.00 34.21 C ATOM 1492 O ARG A 841 -52.862 51.777 16.704 1.00 31.12 O ATOM 1493 CB ARG A 841 -54.125 53.570 14.330 1.00 14.45 C ATOM 1494 CG ARG A 841 -55.191 52.528 14.629 1.00 42.15 C ATOM 1495 CD ARG A 841 -55.527 51.707 13.394 1.00 74.32 C ATOM 1496 NE ARG A 841 -55.685 52.543 12.207 1.00 72.43 N ATOM 1497 CZ ARG A 841 -55.786 52.057 10.974 1.00 3.32 C ATOM 1498 NH1 ARG A 841 -55.745 50.748 10.768 1.00 15.14 N ATOM 1499 NH2 ARG A 841 -55.927 52.882 9.945 1.00 53.15 N ATOM 0 H ARG A 841 -52.141 55.081 14.178 1.00 11.01 H new ATOM 0 HA ARG A 841 -53.765 54.142 16.371 1.00 32.31 H new ATOM 0 HB2 ARG A 841 -54.611 54.504 14.048 1.00 14.45 H new ATOM 0 HB3 ARG A 841 -53.540 53.243 13.470 1.00 14.45 H new ATOM 0 HG2 ARG A 841 -54.843 51.867 15.423 1.00 42.15 H new ATOM 0 HG3 ARG A 841 -56.091 53.021 14.996 1.00 42.15 H new ATOM 0 HD2 ARG A 841 -54.738 50.975 13.220 1.00 74.32 H new ATOM 0 HD3 ARG A 841 -56.447 51.149 13.569 1.00 74.32 H new ATOM 0 HE ARG A 841 -55.720 53.555 12.331 1.00 72.43 H new ATOM 0 HH11 ARG A 841 -55.636 50.111 11.557 1.00 15.14 H new ATOM 0 HH12 ARG A 841 -55.823 50.378 9.821 1.00 15.14 H new ATOM 0 HH21 ARG A 841 -55.958 53.890 10.100 1.00 53.15 H new ATOM 0 HH22 ARG A 841 -56.004 52.509 8.999 1.00 53.15 H new ATOM 1513 N HIS A 842 -51.285 52.349 15.204 1.00 3.44 N ATOM 1514 CA HIS A 842 -50.467 51.167 15.450 1.00 4.11 C ATOM 1515 C HIS A 842 -49.167 51.543 16.156 1.00 34.55 C ATOM 1516 O HIS A 842 -48.399 50.672 16.566 1.00 3.10 O ATOM 1517 CB HIS A 842 -50.157 50.453 14.134 1.00 32.42 C ATOM 1518 CG HIS A 842 -49.391 51.295 13.161 1.00 74.00 C ATOM 1519 ND1 HIS A 842 -49.831 51.552 11.879 1.00 2.05 N ATOM 1520 CD2 HIS A 842 -48.209 51.942 13.289 1.00 71.45 C ATOM 1521 CE1 HIS A 842 -48.951 52.319 11.260 1.00 31.13 C ATOM 1522 NE2 HIS A 842 -47.958 52.570 12.094 1.00 43.13 N ATOM 0 H HIS A 842 -50.908 52.983 14.500 1.00 3.44 H new ATOM 0 HA HIS A 842 -51.030 50.494 16.097 1.00 4.11 H new ATOM 0 HB2 HIS A 842 -49.587 49.549 14.347 1.00 32.42 H new ATOM 0 HB3 HIS A 842 -51.093 50.139 13.672 1.00 32.42 H new ATOM 0 HD2 HIS A 842 -47.581 51.961 14.167 1.00 71.45 H new ATOM 0 HE1 HIS A 842 -49.030 52.679 10.245 1.00 31.13 H new ATOM 0 HE2 HIS A 842 -47.137 53.138 11.884 1.00 43.13 H new ATOM 1630 N ARG A 848 -40.881 57.960 25.238 1.00 52.43 N ATOM 1631 CA ARG A 848 -39.445 58.155 25.397 1.00 71.23 C ATOM 1632 C ARG A 848 -38.767 58.332 24.041 1.00 12.42 C ATOM 1633 O ARG A 848 -38.107 59.341 23.795 1.00 2.20 O ATOM 1634 CB ARG A 848 -38.827 56.967 26.136 1.00 21.13 C ATOM 1635 CG ARG A 848 -37.391 57.203 26.575 1.00 0.11 C ATOM 1636 CD ARG A 848 -37.294 58.347 27.572 1.00 13.22 C ATOM 1637 NE ARG A 848 -35.930 58.537 28.057 1.00 43.13 N ATOM 1638 CZ ARG A 848 -35.313 57.686 28.869 1.00 60.44 C ATOM 1639 NH1 ARG A 848 -35.936 56.591 29.284 1.00 2.43 N ATOM 1640 NH2 ARG A 848 -34.070 57.928 29.266 1.00 33.30 N ATOM 0 HA ARG A 848 -39.289 59.061 25.983 1.00 71.23 H new ATOM 0 HB2 ARG A 848 -39.433 56.740 27.013 1.00 21.13 H new ATOM 0 HB3 ARG A 848 -38.861 56.090 25.489 1.00 21.13 H new ATOM 0 HG2 ARG A 848 -36.992 56.293 27.024 1.00 0.11 H new ATOM 0 HG3 ARG A 848 -36.775 57.425 25.704 1.00 0.11 H new ATOM 0 HD2 ARG A 848 -37.643 59.267 27.103 1.00 13.22 H new ATOM 0 HD3 ARG A 848 -37.954 58.149 28.416 1.00 13.22 H new ATOM 0 HE ARG A 848 -35.423 59.369 27.756 1.00 43.13 H new ATOM 0 HH11 ARG A 848 -36.891 56.401 28.980 1.00 2.43 H new ATOM 0 HH12 ARG A 848 -35.460 55.939 29.908 1.00 2.43 H new ATOM 0 HH21 ARG A 848 -33.587 58.768 28.948 1.00 33.30 H new ATOM 0 HH22 ARG A 848 -33.597 57.274 29.890 1.00 33.30 H new ATOM 1654 N GLN A 849 -38.936 57.345 23.167 1.00 4.33 N ATOM 1655 CA GLN A 849 -38.339 57.393 21.838 1.00 62.23 C ATOM 1656 C GLN A 849 -38.712 58.685 21.119 1.00 14.01 C ATOM 1657 O GLN A 849 -37.892 59.278 20.420 1.00 60.33 O ATOM 1658 CB GLN A 849 -38.788 56.187 21.011 1.00 52.04 C ATOM 1659 CG GLN A 849 -38.091 56.079 19.664 1.00 25.33 C ATOM 1660 CD GLN A 849 -36.631 55.689 19.793 1.00 73.41 C ATOM 1661 OE1 GLN A 849 -36.075 55.675 20.891 1.00 21.34 O ATOM 1662 NE2 GLN A 849 -36.002 55.369 18.668 1.00 34.50 N ATOM 0 H GLN A 849 -39.481 56.503 23.355 1.00 4.33 H new ATOM 0 HA GLN A 849 -37.255 57.363 21.953 1.00 62.23 H new ATOM 0 HB2 GLN A 849 -38.602 55.277 21.581 1.00 52.04 H new ATOM 0 HB3 GLN A 849 -39.864 56.248 20.850 1.00 52.04 H new ATOM 0 HG2 GLN A 849 -38.607 55.341 19.050 1.00 25.33 H new ATOM 0 HG3 GLN A 849 -38.164 57.034 19.144 1.00 25.33 H new ATOM 0 HE21 GLN A 849 -36.502 55.394 17.779 1.00 34.50 H new ATOM 0 HE22 GLN A 849 -35.019 55.098 18.693 1.00 34.50 H new ATOM 1671 N GLY A 850 -39.958 59.117 21.296 1.00 25.45 N ATOM 1672 CA GLY A 850 -40.418 60.336 20.658 1.00 31.31 C ATOM 1673 C GLY A 850 -39.739 61.573 21.212 1.00 33.53 C ATOM 1674 O GLY A 850 -39.301 62.441 20.456 1.00 21.35 O ATOM 0 H GLY A 850 -40.656 58.644 21.870 1.00 25.45 H new ATOM 0 HA2 GLY A 850 -40.233 60.273 19.586 1.00 31.31 H new ATOM 0 HA3 GLY A 850 -41.496 60.427 20.790 1.00 31.31 H new ATOM 1678 N LEU A 851 -39.653 61.655 22.535 1.00 10.33 N ATOM 1679 CA LEU A 851 -39.024 62.796 23.191 1.00 1.51 C ATOM 1680 C LEU A 851 -37.564 62.931 22.769 1.00 74.24 C ATOM 1681 O LEU A 851 -37.085 64.032 22.503 1.00 42.34 O ATOM 1682 CB LEU A 851 -39.115 62.650 24.711 1.00 13.41 C ATOM 1683 CG LEU A 851 -39.111 63.953 25.512 1.00 65.00 C ATOM 1684 CD1 LEU A 851 -37.802 64.700 25.308 1.00 41.32 C ATOM 1685 CD2 LEU A 851 -40.293 64.826 25.117 1.00 3.13 C ATOM 0 H LEU A 851 -40.011 60.945 23.174 1.00 10.33 H new ATOM 0 HA LEU A 851 -39.556 63.697 22.886 1.00 1.51 H new ATOM 0 HB2 LEU A 851 -40.027 62.103 24.949 1.00 13.41 H new ATOM 0 HB3 LEU A 851 -38.279 62.037 25.048 1.00 13.41 H new ATOM 0 HG LEU A 851 -39.205 63.707 26.570 1.00 65.00 H new ATOM 0 HD11 LEU A 851 -37.817 65.624 25.885 1.00 41.32 H new ATOM 0 HD12 LEU A 851 -36.972 64.077 25.641 1.00 41.32 H new ATOM 0 HD13 LEU A 851 -37.678 64.934 24.251 1.00 41.32 H new ATOM 0 HD21 LEU A 851 -40.274 65.749 25.697 1.00 3.13 H new ATOM 0 HD22 LEU A 851 -40.231 65.064 24.055 1.00 3.13 H new ATOM 0 HD23 LEU A 851 -41.222 64.292 25.316 1.00 3.13 H new ATOM 1697 N GLU A 852 -36.865 61.802 22.707 1.00 30.05 N ATOM 1698 CA GLU A 852 -35.460 61.795 22.316 1.00 75.34 C ATOM 1699 C GLU A 852 -35.316 61.974 20.807 1.00 4.21 C ATOM 1700 O GLU A 852 -34.315 62.509 20.328 1.00 33.32 O ATOM 1701 CB GLU A 852 -34.793 60.488 22.751 1.00 13.42 C ATOM 1702 CG GLU A 852 -35.207 59.286 21.919 1.00 51.52 C ATOM 1703 CD GLU A 852 -34.473 58.021 22.317 1.00 74.40 C ATOM 1704 OE1 GLU A 852 -33.987 57.309 21.414 1.00 63.35 O ATOM 1705 OE2 GLU A 852 -34.386 57.742 23.531 1.00 71.41 O ATOM 0 H GLU A 852 -37.248 60.881 22.922 1.00 30.05 H new ATOM 0 HA GLU A 852 -34.966 62.630 22.813 1.00 75.34 H new ATOM 0 HB2 GLU A 852 -33.711 60.605 22.691 1.00 13.42 H new ATOM 0 HB3 GLU A 852 -35.036 60.297 23.796 1.00 13.42 H new ATOM 0 HG2 GLU A 852 -36.280 59.128 22.025 1.00 51.52 H new ATOM 0 HG3 GLU A 852 -35.018 59.495 20.866 1.00 51.52 H new ATOM 1712 N ARG A 853 -36.321 61.523 20.064 1.00 10.12 N ATOM 1713 CA ARG A 853 -36.306 61.632 18.610 1.00 25.14 C ATOM 1714 C ARG A 853 -36.406 63.090 18.173 1.00 0.32 C ATOM 1715 O ARG A 853 -35.678 63.534 17.285 1.00 62.43 O ATOM 1716 CB ARG A 853 -37.457 60.826 18.005 1.00 3.42 C ATOM 1717 CG ARG A 853 -37.560 60.953 16.494 1.00 20.21 C ATOM 1718 CD ARG A 853 -38.392 59.828 15.897 1.00 45.54 C ATOM 1719 NE ARG A 853 -39.819 60.136 15.912 1.00 32.44 N ATOM 1720 CZ ARG A 853 -40.395 60.998 15.082 1.00 63.11 C ATOM 1721 NH1 ARG A 853 -39.668 61.635 14.174 1.00 20.11 N ATOM 1722 NH2 ARG A 853 -41.700 61.224 15.158 1.00 1.22 N ATOM 0 H ARG A 853 -37.156 61.078 20.445 1.00 10.12 H new ATOM 0 HA ARG A 853 -35.360 61.227 18.250 1.00 25.14 H new ATOM 0 HB2 ARG A 853 -37.330 59.775 18.265 1.00 3.42 H new ATOM 0 HB3 ARG A 853 -38.395 61.154 18.454 1.00 3.42 H new ATOM 0 HG2 ARG A 853 -38.007 61.913 16.238 1.00 20.21 H new ATOM 0 HG3 ARG A 853 -36.561 60.940 16.057 1.00 20.21 H new ATOM 0 HD2 ARG A 853 -38.071 59.645 14.871 1.00 45.54 H new ATOM 0 HD3 ARG A 853 -38.213 58.909 16.456 1.00 45.54 H new ATOM 0 HE ARG A 853 -40.407 59.663 16.598 1.00 32.44 H new ATOM 0 HH11 ARG A 853 -38.664 61.463 14.112 1.00 20.11 H new ATOM 0 HH12 ARG A 853 -40.112 62.297 13.537 1.00 20.11 H new ATOM 0 HH21 ARG A 853 -42.262 60.735 15.855 1.00 1.22 H new ATOM 0 HH22 ARG A 853 -42.141 61.886 14.520 1.00 1.22 H new ATOM 1736 N ILE A 854 -37.313 63.830 18.803 1.00 45.22 N ATOM 1737 CA ILE A 854 -37.507 65.238 18.479 1.00 34.10 C ATOM 1738 C ILE A 854 -36.333 66.081 18.964 1.00 12.24 C ATOM 1739 O ILE A 854 -36.051 67.147 18.415 1.00 63.22 O ATOM 1740 CB ILE A 854 -38.807 65.783 19.099 1.00 55.43 C ATOM 1741 CG1 ILE A 854 -38.742 65.706 20.625 1.00 32.14 C ATOM 1742 CG2 ILE A 854 -40.009 65.011 18.575 1.00 62.13 C ATOM 1743 CD1 ILE A 854 -39.904 66.386 21.315 1.00 2.33 C ATOM 0 H ILE A 854 -37.924 63.478 19.540 1.00 45.22 H new ATOM 0 HA ILE A 854 -37.575 65.306 17.393 1.00 34.10 H new ATOM 0 HB ILE A 854 -38.918 66.828 18.811 1.00 55.43 H new ATOM 0 HG12 ILE A 854 -38.713 64.659 20.927 1.00 32.14 H new ATOM 0 HG13 ILE A 854 -37.812 66.161 20.964 1.00 32.14 H new ATOM 0 HG21 ILE A 854 -40.920 65.408 19.023 1.00 62.13 H new ATOM 0 HG22 ILE A 854 -40.063 65.113 17.491 1.00 62.13 H new ATOM 0 HG23 ILE A 854 -39.906 63.958 18.835 1.00 62.13 H new ATOM 0 HD11 ILE A 854 -39.792 66.292 22.395 1.00 2.33 H new ATOM 0 HD12 ILE A 854 -39.922 67.441 21.043 1.00 2.33 H new ATOM 0 HD13 ILE A 854 -40.837 65.916 21.005 1.00 2.33 H new ATOM 1755 N LEU A 855 -35.651 65.597 19.996 1.00 0.02 N ATOM 1756 CA LEU A 855 -34.505 66.305 20.556 1.00 43.15 C ATOM 1757 C LEU A 855 -33.397 66.455 19.517 1.00 34.32 C ATOM 1758 O LEU A 855 -33.012 67.569 19.160 1.00 15.03 O ATOM 1759 CB LEU A 855 -33.972 65.564 21.783 1.00 63.00 C ATOM 1760 CG LEU A 855 -33.555 66.438 22.966 1.00 0.13 C ATOM 1761 CD1 LEU A 855 -32.939 65.588 24.067 1.00 14.31 C ATOM 1762 CD2 LEU A 855 -32.581 67.517 22.515 1.00 13.24 C ATOM 0 H LEU A 855 -35.872 64.717 20.462 1.00 0.02 H new ATOM 0 HA LEU A 855 -34.835 67.300 20.855 1.00 43.15 H new ATOM 0 HB2 LEU A 855 -34.739 64.868 22.124 1.00 63.00 H new ATOM 0 HB3 LEU A 855 -33.113 64.967 21.477 1.00 63.00 H new ATOM 0 HG LEU A 855 -34.445 66.924 23.365 1.00 0.13 H new ATOM 0 HD11 LEU A 855 -32.648 66.227 24.901 1.00 14.31 H new ATOM 0 HD12 LEU A 855 -33.667 64.853 24.410 1.00 14.31 H new ATOM 0 HD13 LEU A 855 -32.059 65.074 23.680 1.00 14.31 H new ATOM 0 HD21 LEU A 855 -32.295 68.130 23.370 1.00 13.24 H new ATOM 0 HD22 LEU A 855 -31.693 67.050 22.090 1.00 13.24 H new ATOM 0 HD23 LEU A 855 -33.057 68.145 21.762 1.00 13.24 H new