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= -0.157 K(o=-0.16,f=-1.1) USER MOD Single : A 779 THR OG1 : rot 99:sc= 1.26 USER MOD Single : A 801 GLN : amide:sc= -0.267 K(o=-0.27,f=-1.4) 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=-0.00827 K(o=-0.0083,f=-1.1) USER MOD Single : A 808 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 ASN : amide:sc=-0.000986 X(o=-0.00099,f=0) USER MOD Single : A 810 SER OG : rot 180:sc= 0 USER MOD Single : A 813 ASN : amide:sc= -0.77 K(o=-0.77,f=-0.11) USER MOD Single : A 816 ASN : amide:sc= -0.0543 K(o=-0.054,f=-1.9!) USER MOD Single : A 818 THR OG1 : rot 70:sc= 1.26 USER MOD Single : A 826 THR OG1 : rot -33:sc= 0.0386 USER MOD Single : A 834 GLN : amide:sc= -2.13 K(o=-2.1,f=-4.2!) USER MOD Single : A 837 TYR OH : rot 180:sc= 0 USER MOD Single : A 842 HIS : no HE2:sc= -2.49 X(o=-2.5,f=-2.9) USER MOD Single : A 849 GLN : amide:sc=-0.00122 K(o=-0.0012,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 261 N TYR A 768 6.256 21.003 -14.337 1.00 41.11 N ATOM 262 CA TYR A 768 6.363 21.404 -15.735 1.00 32.01 C ATOM 263 C TYR A 768 4.991 21.745 -16.310 1.00 5.20 C ATOM 264 O TYR A 768 4.765 22.857 -16.790 1.00 25.42 O ATOM 265 CB TYR A 768 7.011 20.290 -16.559 1.00 32.13 C ATOM 266 CG TYR A 768 7.042 20.574 -18.043 1.00 51.54 C ATOM 267 CD1 TYR A 768 6.463 19.696 -18.951 1.00 44.45 C ATOM 268 CD2 TYR A 768 7.649 21.722 -18.538 1.00 1.31 C ATOM 269 CE1 TYR A 768 6.490 19.952 -20.309 1.00 3.23 C ATOM 270 CE2 TYR A 768 7.679 21.987 -19.893 1.00 44.04 C ATOM 271 CZ TYR A 768 7.099 21.099 -20.775 1.00 22.32 C ATOM 272 OH TYR A 768 7.127 21.358 -22.126 1.00 32.20 O ATOM 0 HA TYR A 768 6.990 22.295 -15.784 1.00 32.01 H new ATOM 0 HB2 TYR A 768 8.031 20.135 -16.206 1.00 32.13 H new ATOM 0 HB3 TYR A 768 6.469 19.360 -16.387 1.00 32.13 H new ATOM 0 HD1 TYR A 768 5.984 18.798 -18.590 1.00 44.45 H new ATOM 0 HD2 TYR A 768 8.105 22.419 -17.851 1.00 1.31 H new ATOM 0 HE1 TYR A 768 6.037 19.258 -21.001 1.00 3.23 H new ATOM 0 HE2 TYR A 768 8.154 22.885 -20.260 1.00 44.04 H new ATOM 0 HH TYR A 768 7.592 22.206 -22.287 1.00 32.20 H new ATOM 282 N HIS A 769 4.078 20.781 -16.257 1.00 63.34 N ATOM 283 CA HIS A 769 2.728 20.978 -16.772 1.00 34.15 C ATOM 284 C HIS A 769 2.101 22.239 -16.183 1.00 60.54 C ATOM 285 O HIS A 769 1.402 22.978 -16.877 1.00 64.30 O ATOM 286 CB HIS A 769 1.855 19.764 -16.452 1.00 21.34 C ATOM 287 CG HIS A 769 2.223 18.539 -17.232 1.00 40.50 C ATOM 288 ND1 HIS A 769 3.440 18.386 -17.863 1.00 14.51 N ATOM 289 CD2 HIS A 769 1.527 17.406 -17.480 1.00 71.54 C ATOM 290 CE1 HIS A 769 3.475 17.212 -18.467 1.00 2.21 C ATOM 291 NE2 HIS A 769 2.327 16.597 -18.250 1.00 32.12 N ATOM 0 H HIS A 769 4.248 19.856 -15.863 1.00 63.34 H new ATOM 0 HA HIS A 769 2.792 21.095 -17.854 1.00 34.15 H new ATOM 0 HB2 HIS A 769 1.931 19.543 -15.387 1.00 21.34 H new ATOM 0 HB3 HIS A 769 0.813 20.013 -16.653 1.00 21.34 H new ATOM 0 HD2 HIS A 769 0.528 17.180 -17.137 1.00 71.54 H new ATOM 0 HE1 HIS A 769 4.302 16.821 -19.041 1.00 2.21 H new ATOM 0 HE2 HIS A 769 2.075 15.672 -18.598 1.00 32.12 H new ATOM 299 N ARG A 770 2.355 22.477 -14.901 1.00 22.22 N ATOM 300 CA ARG A 770 1.814 23.647 -14.219 1.00 64.33 C ATOM 301 C ARG A 770 2.345 24.934 -14.844 1.00 63.41 C ATOM 302 O ARG A 770 1.575 25.775 -15.308 1.00 14.44 O ATOM 303 CB ARG A 770 2.168 23.606 -12.732 1.00 23.34 C ATOM 304 CG ARG A 770 2.221 24.978 -12.080 1.00 33.20 C ATOM 305 CD ARG A 770 2.516 24.877 -10.592 1.00 32.24 C ATOM 306 NE ARG A 770 2.719 26.189 -9.984 1.00 22.04 N ATOM 307 CZ ARG A 770 2.772 26.391 -8.672 1.00 22.23 C ATOM 308 NH1 ARG A 770 2.638 25.371 -7.835 1.00 1.32 N ATOM 309 NH2 ARG A 770 2.960 27.615 -8.195 1.00 24.44 N ATOM 0 H ARG A 770 2.932 21.875 -14.313 1.00 22.22 H new ATOM 0 HA ARG A 770 0.730 23.631 -14.328 1.00 64.33 H new ATOM 0 HB2 ARG A 770 1.434 22.993 -12.209 1.00 23.34 H new ATOM 0 HB3 ARG A 770 3.135 23.118 -12.611 1.00 23.34 H new ATOM 0 HG2 ARG A 770 2.988 25.582 -12.564 1.00 33.20 H new ATOM 0 HG3 ARG A 770 1.270 25.490 -12.230 1.00 33.20 H new ATOM 0 HD2 ARG A 770 1.691 24.370 -10.092 1.00 32.24 H new ATOM 0 HD3 ARG A 770 3.405 24.265 -10.439 1.00 32.24 H new ATOM 0 HE ARG A 770 2.826 26.995 -10.600 1.00 22.04 H new ATOM 0 HH11 ARG A 770 2.494 24.429 -8.198 1.00 1.32 H new ATOM 0 HH12 ARG A 770 2.679 25.529 -6.828 1.00 1.32 H new ATOM 0 HH21 ARG A 770 3.064 28.402 -8.836 1.00 24.44 H new ATOM 0 HH22 ARG A 770 3.001 27.769 -7.188 1.00 24.44 H new ATOM 323 N LEU A 771 3.666 25.080 -14.853 1.00 35.03 N ATOM 324 CA LEU A 771 4.300 26.265 -15.420 1.00 63.41 C ATOM 325 C LEU A 771 3.772 26.546 -16.823 1.00 11.51 C ATOM 326 O LEU A 771 3.395 27.675 -17.140 1.00 23.11 O ATOM 327 CB LEU A 771 5.819 26.083 -15.462 1.00 13.44 C ATOM 328 CG LEU A 771 6.640 27.352 -15.694 1.00 50.01 C ATOM 329 CD1 LEU A 771 6.729 28.172 -14.416 1.00 54.14 C ATOM 330 CD2 LEU A 771 8.031 27.001 -16.202 1.00 53.34 C ATOM 0 H LEU A 771 4.318 24.393 -14.474 1.00 35.03 H new ATOM 0 HA LEU A 771 4.059 27.116 -14.783 1.00 63.41 H new ATOM 0 HB2 LEU A 771 6.137 25.635 -14.521 1.00 13.44 H new ATOM 0 HB3 LEU A 771 6.058 25.370 -16.251 1.00 13.44 H new ATOM 0 HG LEU A 771 6.138 27.953 -16.452 1.00 50.01 H new ATOM 0 HD11 LEU A 771 7.317 29.071 -14.601 1.00 54.14 H new ATOM 0 HD12 LEU A 771 5.727 28.454 -14.094 1.00 54.14 H new ATOM 0 HD13 LEU A 771 7.207 27.580 -13.636 1.00 54.14 H new ATOM 0 HD21 LEU A 771 8.602 27.916 -16.362 1.00 53.34 H new ATOM 0 HD22 LEU A 771 8.541 26.379 -15.466 1.00 53.34 H new ATOM 0 HD23 LEU A 771 7.948 26.456 -17.142 1.00 53.34 H new ATOM 342 N ARG A 772 3.745 25.513 -17.658 1.00 40.22 N ATOM 343 CA ARG A 772 3.262 25.649 -19.027 1.00 14.51 C ATOM 344 C ARG A 772 1.771 25.976 -19.047 1.00 2.00 C ATOM 345 O ARG A 772 1.287 26.656 -19.952 1.00 34.40 O ATOM 346 CB ARG A 772 3.524 24.364 -19.813 1.00 75.23 C ATOM 347 CG ARG A 772 3.333 24.518 -21.313 1.00 64.04 C ATOM 348 CD ARG A 772 3.721 23.250 -22.057 1.00 64.34 C ATOM 349 NE ARG A 772 2.942 22.096 -21.616 1.00 50.23 N ATOM 350 CZ ARG A 772 1.704 21.845 -22.027 1.00 11.31 C ATOM 351 NH1 ARG A 772 1.108 22.662 -22.884 1.00 51.43 N ATOM 352 NH2 ARG A 772 1.059 20.775 -21.580 1.00 65.22 N ATOM 0 H ARG A 772 4.052 24.572 -17.411 1.00 40.22 H new ATOM 0 HA ARG A 772 3.803 26.470 -19.497 1.00 14.51 H new ATOM 0 HB2 ARG A 772 4.543 24.030 -19.617 1.00 75.23 H new ATOM 0 HB3 ARG A 772 2.857 23.583 -19.449 1.00 75.23 H new ATOM 0 HG2 ARG A 772 2.292 24.762 -21.525 1.00 64.04 H new ATOM 0 HG3 ARG A 772 3.935 25.352 -21.674 1.00 64.04 H new ATOM 0 HD2 ARG A 772 3.575 23.398 -23.127 1.00 64.34 H new ATOM 0 HD3 ARG A 772 4.782 23.051 -21.905 1.00 64.34 H new ATOM 0 HE ARG A 772 3.372 21.447 -20.957 1.00 50.23 H new ATOM 0 HH11 ARG A 772 1.600 23.486 -23.230 1.00 51.43 H new ATOM 0 HH12 ARG A 772 0.157 22.467 -23.198 1.00 51.43 H new ATOM 0 HH21 ARG A 772 1.514 20.144 -20.920 1.00 65.22 H new ATOM 0 HH22 ARG A 772 0.108 20.583 -21.896 1.00 65.22 H new ATOM 366 N ASP A 773 1.050 25.487 -18.044 1.00 62.02 N ATOM 367 CA ASP A 773 -0.385 25.727 -17.946 1.00 61.10 C ATOM 368 C ASP A 773 -0.674 27.207 -17.714 1.00 22.34 C ATOM 369 O ASP A 773 -1.369 27.846 -18.504 1.00 52.10 O ATOM 370 CB ASP A 773 -0.987 24.893 -16.814 1.00 2.11 C ATOM 371 CG ASP A 773 -2.498 24.996 -16.760 1.00 33.33 C ATOM 372 OD1 ASP A 773 -3.013 25.723 -15.884 1.00 70.22 O ATOM 373 OD2 ASP A 773 -3.167 24.350 -17.593 1.00 63.34 O ATOM 0 H ASP A 773 1.436 24.922 -17.287 1.00 62.02 H new ATOM 0 HA ASP A 773 -0.843 25.430 -18.889 1.00 61.10 H new ATOM 0 HB2 ASP A 773 -0.701 23.849 -16.944 1.00 2.11 H new ATOM 0 HB3 ASP A 773 -0.569 25.222 -15.862 1.00 2.11 H new ATOM 378 N LEU A 774 -0.137 27.745 -16.624 1.00 63.13 N ATOM 379 CA LEU A 774 -0.337 29.150 -16.287 1.00 34.15 C ATOM 380 C LEU A 774 0.212 30.057 -17.382 1.00 44.34 C ATOM 381 O LEU A 774 -0.415 31.050 -17.754 1.00 41.11 O ATOM 382 CB LEU A 774 0.337 29.476 -14.953 1.00 23.52 C ATOM 383 CG LEU A 774 0.031 30.853 -14.364 1.00 53.12 C ATOM 384 CD1 LEU A 774 -1.403 30.911 -13.859 1.00 25.42 C ATOM 385 CD2 LEU A 774 1.007 31.184 -13.245 1.00 33.14 C ATOM 0 H LEU A 774 0.440 27.230 -15.959 1.00 63.13 H new ATOM 0 HA LEU A 774 -1.409 29.327 -16.199 1.00 34.15 H new ATOM 0 HB2 LEU A 774 0.043 28.719 -14.226 1.00 23.52 H new ATOM 0 HB3 LEU A 774 1.416 29.391 -15.084 1.00 23.52 H new ATOM 0 HG LEU A 774 0.147 31.598 -15.151 1.00 53.12 H new ATOM 0 HD11 LEU A 774 -1.603 31.899 -13.443 1.00 25.42 H new ATOM 0 HD12 LEU A 774 -2.088 30.720 -14.685 1.00 25.42 H new ATOM 0 HD13 LEU A 774 -1.547 30.156 -13.086 1.00 25.42 H new ATOM 0 HD21 LEU A 774 0.774 32.168 -12.838 1.00 33.14 H new ATOM 0 HD22 LEU A 774 0.924 30.436 -12.457 1.00 33.14 H new ATOM 0 HD23 LEU A 774 2.024 31.186 -13.638 1.00 33.14 H new ATOM 397 N LEU A 775 1.386 29.709 -17.898 1.00 3.43 N ATOM 398 CA LEU A 775 2.020 30.491 -18.954 1.00 2.23 C ATOM 399 C LEU A 775 1.127 30.565 -20.188 1.00 31.41 C ATOM 400 O LEU A 775 0.943 31.634 -20.771 1.00 74.34 O ATOM 401 CB LEU A 775 3.373 29.881 -19.325 1.00 0.12 C ATOM 402 CG LEU A 775 4.542 30.228 -18.402 1.00 34.35 C ATOM 403 CD1 LEU A 775 5.786 29.449 -18.799 1.00 74.44 C ATOM 404 CD2 LEU A 775 4.816 31.724 -18.428 1.00 3.23 C ATOM 0 H LEU A 775 1.918 28.891 -17.602 1.00 3.43 H new ATOM 0 HA LEU A 775 2.175 31.503 -18.580 1.00 2.23 H new ATOM 0 HB2 LEU A 775 3.265 28.797 -19.350 1.00 0.12 H new ATOM 0 HB3 LEU A 775 3.628 30.199 -20.336 1.00 0.12 H new ATOM 0 HG LEU A 775 4.272 29.946 -17.384 1.00 34.35 H new ATOM 0 HD11 LEU A 775 6.607 29.709 -18.131 1.00 74.44 H new ATOM 0 HD12 LEU A 775 5.584 28.380 -18.727 1.00 74.44 H new ATOM 0 HD13 LEU A 775 6.060 29.698 -19.824 1.00 74.44 H new ATOM 0 HD21 LEU A 775 5.651 31.953 -17.766 1.00 3.23 H new ATOM 0 HD22 LEU A 775 5.064 32.031 -19.444 1.00 3.23 H new ATOM 0 HD23 LEU A 775 3.929 32.262 -18.093 1.00 3.23 H new ATOM 416 N LEU A 776 0.573 29.423 -20.579 1.00 72.44 N ATOM 417 CA LEU A 776 -0.304 29.357 -21.743 1.00 51.24 C ATOM 418 C LEU A 776 -1.550 30.212 -21.535 1.00 41.34 C ATOM 419 O LEU A 776 -1.861 31.082 -22.350 1.00 70.42 O ATOM 420 CB LEU A 776 -0.707 27.908 -22.022 1.00 41.13 C ATOM 421 CG LEU A 776 0.069 27.198 -23.132 1.00 75.42 C ATOM 422 CD1 LEU A 776 1.566 27.325 -22.903 1.00 5.51 C ATOM 423 CD2 LEU A 776 -0.337 25.733 -23.213 1.00 53.21 C ATOM 0 H LEU A 776 0.715 28.530 -20.107 1.00 72.44 H new ATOM 0 HA LEU A 776 0.243 29.747 -22.601 1.00 51.24 H new ATOM 0 HB2 LEU A 776 -0.591 27.336 -21.102 1.00 41.13 H new ATOM 0 HB3 LEU A 776 -1.766 27.889 -22.277 1.00 41.13 H new ATOM 0 HG LEU A 776 -0.174 27.676 -24.081 1.00 75.42 H new ATOM 0 HD11 LEU A 776 2.101 26.814 -23.703 1.00 5.51 H new ATOM 0 HD12 LEU A 776 1.845 28.379 -22.896 1.00 5.51 H new ATOM 0 HD13 LEU A 776 1.827 26.874 -21.946 1.00 5.51 H new ATOM 0 HD21 LEU A 776 0.225 25.243 -24.008 1.00 53.21 H new ATOM 0 HD22 LEU A 776 -0.124 25.243 -22.263 1.00 53.21 H new ATOM 0 HD23 LEU A 776 -1.404 25.662 -23.426 1.00 53.21 H new ATOM 435 N ILE A 777 -2.257 29.961 -20.439 1.00 54.02 N ATOM 436 CA ILE A 777 -3.467 30.710 -20.123 1.00 10.22 C ATOM 437 C ILE A 777 -3.190 32.209 -20.080 1.00 2.13 C ATOM 438 O ILE A 777 -3.775 32.982 -20.839 1.00 20.22 O ATOM 439 CB ILE A 777 -4.064 30.271 -18.773 1.00 34.01 C ATOM 440 CG1 ILE A 777 -4.431 28.786 -18.812 1.00 22.13 C ATOM 441 CG2 ILE A 777 -5.284 31.114 -18.434 1.00 53.51 C ATOM 442 CD1 ILE A 777 -5.529 28.460 -19.800 1.00 1.14 C ATOM 0 H ILE A 777 -2.013 29.245 -19.755 1.00 54.02 H new ATOM 0 HA ILE A 777 -4.185 30.498 -20.915 1.00 10.22 H new ATOM 0 HB ILE A 777 -3.315 30.421 -17.995 1.00 34.01 H new ATOM 0 HG12 ILE A 777 -3.543 28.207 -19.065 1.00 22.13 H new ATOM 0 HG13 ILE A 777 -4.744 28.471 -17.816 1.00 22.13 H new ATOM 0 HG21 ILE A 777 -5.695 30.792 -17.477 1.00 53.51 H new ATOM 0 HG22 ILE A 777 -4.995 32.163 -18.370 1.00 53.51 H new ATOM 0 HG23 ILE A 777 -6.038 30.992 -19.212 1.00 53.51 H new ATOM 0 HD11 ILE A 777 -5.737 27.390 -19.773 1.00 1.14 H new ATOM 0 HD12 ILE A 777 -6.431 29.011 -19.536 1.00 1.14 H new ATOM 0 HD13 ILE A 777 -5.211 28.743 -20.804 1.00 1.14 H new ATOM 454 N VAL A 778 -2.292 32.614 -19.187 1.00 63.12 N ATOM 455 CA VAL A 778 -1.934 34.020 -19.047 1.00 2.35 C ATOM 456 C VAL A 778 -1.558 34.629 -20.393 1.00 30.02 C ATOM 457 O VAL A 778 -2.172 35.597 -20.843 1.00 4.45 O ATOM 458 CB VAL A 778 -0.760 34.205 -18.066 1.00 53.52 C ATOM 459 CG1 VAL A 778 -0.369 35.672 -17.972 1.00 53.42 C ATOM 460 CG2 VAL A 778 -1.119 33.652 -16.696 1.00 33.15 C ATOM 0 H VAL A 778 -1.799 31.988 -18.550 1.00 63.12 H new ATOM 0 HA VAL A 778 -2.812 34.532 -18.653 1.00 2.35 H new ATOM 0 HB VAL A 778 0.098 33.649 -18.444 1.00 53.52 H new ATOM 0 HG11 VAL A 778 0.461 35.783 -17.275 1.00 53.42 H new ATOM 0 HG12 VAL A 778 -0.068 36.032 -18.956 1.00 53.42 H new ATOM 0 HG13 VAL A 778 -1.220 36.253 -17.618 1.00 53.42 H new ATOM 0 HG21 VAL A 778 -0.279 33.791 -16.016 1.00 33.15 H new ATOM 0 HG22 VAL A 778 -1.991 34.179 -16.308 1.00 33.15 H new ATOM 0 HG23 VAL A 778 -1.345 32.589 -16.781 1.00 33.15 H new ATOM 470 N THR A 779 -0.545 34.054 -21.034 1.00 2.52 N ATOM 471 CA THR A 779 -0.086 34.540 -22.329 1.00 2.20 C ATOM 472 C THR A 779 -1.244 34.663 -23.312 1.00 73.11 C ATOM 473 O THR A 779 -1.396 35.684 -23.983 1.00 21.00 O ATOM 474 CB THR A 779 0.986 33.611 -22.930 1.00 2.44 C ATOM 475 OG1 THR A 779 2.125 33.554 -22.064 1.00 22.43 O ATOM 476 CG2 THR A 779 1.413 34.097 -24.306 1.00 44.43 C ATOM 0 H THR A 779 -0.027 33.251 -20.677 1.00 2.52 H new ATOM 0 HA THR A 779 0.350 35.525 -22.160 1.00 2.20 H new ATOM 0 HB THR A 779 0.557 32.614 -23.031 1.00 2.44 H new ATOM 0 HG1 THR A 779 2.078 32.744 -21.514 1.00 22.43 H new ATOM 0 HG21 THR A 779 2.170 33.425 -24.710 1.00 44.43 H new ATOM 0 HG22 THR A 779 0.549 34.112 -24.971 1.00 44.43 H new ATOM 0 HG23 THR A 779 1.826 35.102 -24.225 1.00 44.43 H new ATOM 484 N ARG A 780 -2.060 33.617 -23.392 1.00 62.52 N ATOM 485 CA ARG A 780 -3.205 33.608 -24.294 1.00 61.44 C ATOM 486 C ARG A 780 -4.070 34.848 -24.088 1.00 24.23 C ATOM 487 O ARG A 780 -4.332 35.598 -25.029 1.00 24.53 O ATOM 488 CB ARG A 780 -4.043 32.346 -24.077 1.00 0.54 C ATOM 489 CG ARG A 780 -3.745 31.238 -25.073 1.00 74.01 C ATOM 490 CD ARG A 780 -4.075 31.664 -26.495 1.00 42.12 C ATOM 491 NE ARG A 780 -4.044 30.538 -27.425 1.00 14.12 N ATOM 492 CZ ARG A 780 -3.958 30.676 -28.743 1.00 73.22 C ATOM 493 NH1 ARG A 780 -3.894 31.885 -29.284 1.00 61.41 N ATOM 494 NH2 ARG A 780 -3.936 29.603 -29.523 1.00 61.35 N ATOM 0 H ARG A 780 -1.949 32.765 -22.843 1.00 62.52 H new ATOM 0 HA ARG A 780 -2.829 33.615 -25.317 1.00 61.44 H new ATOM 0 HB2 ARG A 780 -3.868 31.973 -23.068 1.00 0.54 H new ATOM 0 HB3 ARG A 780 -5.100 32.606 -24.141 1.00 0.54 H new ATOM 0 HG2 ARG A 780 -2.692 30.963 -25.009 1.00 74.01 H new ATOM 0 HG3 ARG A 780 -4.322 30.350 -24.815 1.00 74.01 H new ATOM 0 HD2 ARG A 780 -5.063 32.124 -26.516 1.00 42.12 H new ATOM 0 HD3 ARG A 780 -3.363 32.423 -26.821 1.00 42.12 H new ATOM 0 HE ARG A 780 -4.091 29.594 -27.041 1.00 14.12 H new ATOM 0 HH11 ARG A 780 -3.911 32.712 -28.687 1.00 61.41 H new ATOM 0 HH12 ARG A 780 -3.828 31.988 -30.297 1.00 61.41 H new ATOM 0 HH21 ARG A 780 -3.985 28.671 -29.110 1.00 61.35 H new ATOM 0 HH22 ARG A 780 -3.870 29.710 -30.535 1.00 61.35 H new ATOM 508 N ILE A 781 -4.510 35.057 -22.851 1.00 64.44 N ATOM 509 CA ILE A 781 -5.344 36.206 -22.522 1.00 23.52 C ATOM 510 C ILE A 781 -4.637 37.513 -22.861 1.00 2.42 C ATOM 511 O ILE A 781 -5.235 38.425 -23.432 1.00 51.22 O ATOM 512 CB ILE A 781 -5.727 36.214 -21.030 1.00 62.31 C ATOM 513 CG1 ILE A 781 -6.465 34.924 -20.664 1.00 5.45 C ATOM 514 CG2 ILE A 781 -6.583 37.430 -20.710 1.00 30.22 C ATOM 515 CD1 ILE A 781 -6.566 34.689 -19.173 1.00 11.33 C ATOM 0 H ILE A 781 -4.303 34.446 -22.061 1.00 64.44 H new ATOM 0 HA ILE A 781 -6.251 36.120 -23.121 1.00 23.52 H new ATOM 0 HB ILE A 781 -4.815 36.270 -20.436 1.00 62.31 H new ATOM 0 HG12 ILE A 781 -7.469 34.956 -21.088 1.00 5.45 H new ATOM 0 HG13 ILE A 781 -5.952 34.079 -21.123 1.00 5.45 H new ATOM 0 HG21 ILE A 781 -6.846 37.422 -19.652 1.00 30.22 H new ATOM 0 HG22 ILE A 781 -6.025 38.338 -20.938 1.00 30.22 H new ATOM 0 HG23 ILE A 781 -7.493 37.403 -21.310 1.00 30.22 H new ATOM 0 HD11 ILE A 781 -7.101 33.758 -18.987 1.00 11.33 H new ATOM 0 HD12 ILE A 781 -5.565 34.624 -18.746 1.00 11.33 H new ATOM 0 HD13 ILE A 781 -7.105 35.516 -18.710 1.00 11.33 H new ATOM 527 N VAL A 782 -3.358 37.598 -22.506 1.00 55.02 N ATOM 528 CA VAL A 782 -2.568 38.793 -22.775 1.00 40.23 C ATOM 529 C VAL A 782 -2.609 39.158 -24.255 1.00 35.00 C ATOM 530 O VAL A 782 -2.740 40.328 -24.612 1.00 1.31 O ATOM 531 CB VAL A 782 -1.101 38.604 -22.345 1.00 50.54 C ATOM 532 CG1 VAL A 782 -0.289 39.853 -22.654 1.00 60.03 C ATOM 533 CG2 VAL A 782 -1.020 38.258 -20.866 1.00 51.43 C ATOM 0 H VAL A 782 -2.848 36.853 -22.032 1.00 55.02 H new ATOM 0 HA VAL A 782 -3.009 39.602 -22.192 1.00 40.23 H new ATOM 0 HB VAL A 782 -0.678 37.775 -22.912 1.00 50.54 H new ATOM 0 HG11 VAL A 782 0.745 39.701 -22.343 1.00 60.03 H new ATOM 0 HG12 VAL A 782 -0.321 40.052 -23.725 1.00 60.03 H new ATOM 0 HG13 VAL A 782 -0.709 40.702 -22.115 1.00 60.03 H new ATOM 0 HG21 VAL A 782 0.024 38.128 -20.579 1.00 51.43 H new ATOM 0 HG22 VAL A 782 -1.460 39.064 -20.279 1.00 51.43 H new ATOM 0 HG23 VAL A 782 -1.566 37.333 -20.678 1.00 51.43 H new ATOM 543 N GLU A 783 -2.498 38.147 -25.111 1.00 52.34 N ATOM 544 CA GLU A 783 -2.523 38.363 -26.553 1.00 62.44 C ATOM 545 C GLU A 783 -3.955 38.526 -27.055 1.00 2.03 C ATOM 546 O GLU A 783 -4.195 39.151 -28.088 1.00 54.34 O ATOM 547 CB GLU A 783 -1.847 37.196 -27.277 1.00 74.03 C ATOM 548 CG GLU A 783 -0.330 37.238 -27.215 1.00 22.52 C ATOM 549 CD GLU A 783 0.318 36.139 -28.035 1.00 41.11 C ATOM 550 OE1 GLU A 783 1.178 36.459 -28.882 1.00 72.03 O ATOM 551 OE2 GLU A 783 -0.035 34.959 -27.829 1.00 61.11 O ATOM 0 H GLU A 783 -2.390 37.172 -24.832 1.00 52.34 H new ATOM 0 HA GLU A 783 -1.975 39.281 -26.766 1.00 62.44 H new ATOM 0 HB2 GLU A 783 -2.194 36.259 -26.841 1.00 74.03 H new ATOM 0 HB3 GLU A 783 -2.160 37.197 -28.321 1.00 74.03 H new ATOM 0 HG2 GLU A 783 0.018 38.207 -27.573 1.00 22.52 H new ATOM 0 HG3 GLU A 783 -0.010 37.148 -26.177 1.00 22.52 H new ATOM 850 N LEU A 800 -18.291 50.816 -13.955 1.00 44.12 N ATOM 851 CA LEU A 800 -18.000 52.048 -13.229 1.00 64.42 C ATOM 852 C LEU A 800 -19.258 52.895 -13.069 1.00 5.31 C ATOM 853 O LEU A 800 -19.665 53.213 -11.952 1.00 23.53 O ATOM 854 CB LEU A 800 -16.920 52.849 -13.958 1.00 1.50 C ATOM 855 CG LEU A 800 -15.473 52.503 -13.604 1.00 51.33 C ATOM 856 CD1 LEU A 800 -14.521 53.048 -14.657 1.00 50.54 C ATOM 857 CD2 LEU A 800 -15.116 53.046 -12.228 1.00 32.30 C ATOM 0 HA LEU A 800 -17.637 51.780 -12.237 1.00 64.42 H new ATOM 0 HB2 LEU A 800 -17.054 52.709 -15.031 1.00 1.50 H new ATOM 0 HB3 LEU A 800 -17.080 53.907 -13.752 1.00 1.50 H new ATOM 0 HG LEU A 800 -15.374 51.418 -13.581 1.00 51.33 H new ATOM 0 HD11 LEU A 800 -13.496 52.792 -14.388 1.00 50.54 H new ATOM 0 HD12 LEU A 800 -14.762 52.611 -15.626 1.00 50.54 H new ATOM 0 HD13 LEU A 800 -14.622 54.132 -14.712 1.00 50.54 H new ATOM 0 HD21 LEU A 800 -14.083 52.790 -11.993 1.00 32.30 H new ATOM 0 HD22 LEU A 800 -15.232 54.130 -12.223 1.00 32.30 H new ATOM 0 HD23 LEU A 800 -15.777 52.607 -11.481 1.00 32.30 H new ATOM 869 N GLN A 801 -19.869 53.256 -14.192 1.00 43.45 N ATOM 870 CA GLN A 801 -21.081 54.066 -14.176 1.00 34.13 C ATOM 871 C GLN A 801 -22.186 53.375 -13.383 1.00 72.13 C ATOM 872 O GLN A 801 -23.029 54.032 -12.771 1.00 63.21 O ATOM 873 CB GLN A 801 -21.557 54.340 -15.604 1.00 4.24 C ATOM 874 CG GLN A 801 -20.548 55.107 -16.444 1.00 12.24 C ATOM 875 CD GLN A 801 -20.383 56.544 -15.989 1.00 51.14 C ATOM 876 OE1 GLN A 801 -19.839 56.810 -14.917 1.00 62.22 O ATOM 877 NE2 GLN A 801 -20.853 57.481 -16.805 1.00 30.21 N ATOM 0 H GLN A 801 -19.545 53.000 -15.125 1.00 43.45 H new ATOM 0 HA GLN A 801 -20.848 55.014 -13.691 1.00 34.13 H new ATOM 0 HB2 GLN A 801 -21.778 53.391 -16.093 1.00 4.24 H new ATOM 0 HB3 GLN A 801 -22.489 54.904 -15.566 1.00 4.24 H new ATOM 0 HG2 GLN A 801 -19.583 54.602 -16.397 1.00 12.24 H new ATOM 0 HG3 GLN A 801 -20.864 55.094 -17.487 1.00 12.24 H new ATOM 0 HE21 GLN A 801 -21.297 57.216 -17.684 1.00 30.21 H new ATOM 0 HE22 GLN A 801 -20.770 58.466 -16.552 1.00 30.21 H new ATOM 886 N TYR A 802 -22.177 52.047 -13.400 1.00 21.23 N ATOM 887 CA TYR A 802 -23.180 51.267 -12.685 1.00 30.51 C ATOM 888 C TYR A 802 -23.104 51.526 -11.183 1.00 62.14 C ATOM 889 O TYR A 802 -24.067 51.990 -10.573 1.00 22.52 O ATOM 890 CB TYR A 802 -22.992 49.775 -12.966 1.00 60.23 C ATOM 891 CG TYR A 802 -24.064 49.186 -13.855 1.00 54.40 C ATOM 892 CD1 TYR A 802 -25.411 49.375 -13.570 1.00 12.31 C ATOM 893 CD2 TYR A 802 -23.731 48.441 -14.979 1.00 72.20 C ATOM 894 CE1 TYR A 802 -26.395 48.839 -14.378 1.00 44.05 C ATOM 895 CE2 TYR A 802 -24.708 47.902 -15.794 1.00 42.11 C ATOM 896 CZ TYR A 802 -26.038 48.104 -15.490 1.00 21.34 C ATOM 897 OH TYR A 802 -27.014 47.567 -16.298 1.00 43.52 O ATOM 0 H TYR A 802 -21.486 51.488 -13.901 1.00 21.23 H new ATOM 0 HA TYR A 802 -24.163 51.576 -13.039 1.00 30.51 H new ATOM 0 HB2 TYR A 802 -22.019 49.622 -13.434 1.00 60.23 H new ATOM 0 HB3 TYR A 802 -22.979 49.234 -12.020 1.00 60.23 H new ATOM 0 HD1 TYR A 802 -25.694 49.951 -12.701 1.00 12.31 H new ATOM 0 HD2 TYR A 802 -22.691 48.280 -15.220 1.00 72.20 H new ATOM 0 HE1 TYR A 802 -27.437 48.994 -14.141 1.00 44.05 H new ATOM 0 HE2 TYR A 802 -24.432 47.326 -16.664 1.00 42.11 H new ATOM 0 HH TYR A 802 -26.595 47.080 -17.038 1.00 43.52 H new ATOM 907 N TRP A 803 -21.952 51.224 -10.596 1.00 21.33 N ATOM 908 CA TRP A 803 -21.748 51.424 -9.165 1.00 51.34 C ATOM 909 C TRP A 803 -21.955 52.887 -8.786 1.00 25.51 C ATOM 910 O TRP A 803 -22.650 53.194 -7.818 1.00 25.14 O ATOM 911 CB TRP A 803 -20.344 50.973 -8.761 1.00 43.02 C ATOM 912 CG TRP A 803 -20.017 49.579 -9.204 1.00 73.21 C ATOM 913 CD1 TRP A 803 -18.913 49.177 -9.901 1.00 15.52 C ATOM 914 CD2 TRP A 803 -20.803 48.403 -8.982 1.00 34.03 C ATOM 915 NE1 TRP A 803 -18.966 47.823 -10.125 1.00 21.20 N ATOM 916 CE2 TRP A 803 -20.115 47.324 -9.570 1.00 41.24 C ATOM 917 CE3 TRP A 803 -22.020 48.156 -8.341 1.00 34.01 C ATOM 918 CZ2 TRP A 803 -20.605 46.022 -9.537 1.00 73.51 C ATOM 919 CZ3 TRP A 803 -22.506 46.863 -8.309 1.00 61.40 C ATOM 920 CH2 TRP A 803 -21.799 45.809 -8.903 1.00 72.52 C ATOM 0 H TRP A 803 -21.145 50.840 -11.088 1.00 21.33 H new ATOM 0 HA TRP A 803 -22.482 50.822 -8.630 1.00 51.34 H new ATOM 0 HB2 TRP A 803 -19.613 51.662 -9.184 1.00 43.02 H new ATOM 0 HB3 TRP A 803 -20.249 51.034 -7.677 1.00 43.02 H new ATOM 0 HD1 TRP A 803 -18.116 49.828 -10.228 1.00 15.52 H new ATOM 0 HE1 TRP A 803 -18.263 47.277 -10.624 1.00 21.20 H new ATOM 0 HE3 TRP A 803 -22.571 48.962 -7.879 1.00 34.01 H new ATOM 0 HZ2 TRP A 803 -20.062 45.209 -9.995 1.00 73.51 H new ATOM 0 HZ3 TRP A 803 -23.447 46.661 -7.818 1.00 61.40 H new ATOM 0 HH2 TRP A 803 -22.204 44.809 -8.860 1.00 72.52 H new ATOM 931 N SER A 804 -21.347 53.785 -9.555 1.00 22.52 N ATOM 932 CA SER A 804 -21.462 55.215 -9.296 1.00 44.02 C ATOM 933 C SER A 804 -22.925 55.629 -9.171 1.00 22.44 C ATOM 934 O SER A 804 -23.353 56.122 -8.128 1.00 33.12 O ATOM 935 CB SER A 804 -20.789 56.013 -10.415 1.00 23.40 C ATOM 936 OG SER A 804 -20.602 57.365 -10.036 1.00 3.13 O ATOM 0 H SER A 804 -20.770 53.547 -10.362 1.00 22.52 H new ATOM 0 HA SER A 804 -20.960 55.430 -8.353 1.00 44.02 H new ATOM 0 HB2 SER A 804 -19.826 55.564 -10.658 1.00 23.40 H new ATOM 0 HB3 SER A 804 -21.399 55.966 -11.317 1.00 23.40 H new ATOM 0 HG SER A 804 -20.169 57.853 -10.767 1.00 3.13 H new ATOM 942 N GLN A 805 -23.685 55.424 -10.241 1.00 72.53 N ATOM 943 CA GLN A 805 -25.100 55.776 -10.252 1.00 31.45 C ATOM 944 C GLN A 805 -25.851 55.044 -9.144 1.00 11.21 C ATOM 945 O GLN A 805 -26.807 55.572 -8.577 1.00 32.01 O ATOM 946 CB GLN A 805 -25.720 55.443 -11.610 1.00 11.41 C ATOM 947 CG GLN A 805 -25.468 56.504 -12.670 1.00 24.44 C ATOM 948 CD GLN A 805 -26.460 57.647 -12.599 1.00 1.51 C ATOM 949 OE1 GLN A 805 -27.259 57.734 -11.666 1.00 53.33 O ATOM 950 NE2 GLN A 805 -26.414 58.533 -13.587 1.00 1.51 N ATOM 0 H GLN A 805 -23.345 55.016 -11.112 1.00 72.53 H new ATOM 0 HA GLN A 805 -25.183 56.848 -10.076 1.00 31.45 H new ATOM 0 HB2 GLN A 805 -25.321 54.491 -11.959 1.00 11.41 H new ATOM 0 HB3 GLN A 805 -26.795 55.312 -11.487 1.00 11.41 H new ATOM 0 HG2 GLN A 805 -24.458 56.897 -12.552 1.00 24.44 H new ATOM 0 HG3 GLN A 805 -25.519 56.045 -13.657 1.00 24.44 H new ATOM 0 HE21 GLN A 805 -25.735 58.422 -14.340 1.00 1.51 H new ATOM 0 HE22 GLN A 805 -27.057 59.325 -13.592 1.00 1.51 H new ATOM 959 N GLU A 806 -25.412 53.826 -8.842 1.00 4.52 N ATOM 960 CA GLU A 806 -26.044 53.023 -7.802 1.00 72.24 C ATOM 961 C GLU A 806 -25.958 53.720 -6.448 1.00 15.12 C ATOM 962 O GLU A 806 -26.958 53.854 -5.741 1.00 34.50 O ATOM 963 CB GLU A 806 -25.386 51.644 -7.721 1.00 44.02 C ATOM 964 CG GLU A 806 -26.295 50.508 -8.159 1.00 14.35 C ATOM 965 CD GLU A 806 -27.299 50.120 -7.090 1.00 2.10 C ATOM 966 OE1 GLU A 806 -27.907 51.029 -6.488 1.00 54.44 O ATOM 967 OE2 GLU A 806 -27.475 48.906 -6.856 1.00 13.12 O ATOM 0 H GLU A 806 -24.622 53.374 -9.302 1.00 4.52 H new ATOM 0 HA GLU A 806 -27.096 52.901 -8.062 1.00 72.24 H new ATOM 0 HB2 GLU A 806 -24.490 51.641 -8.342 1.00 44.02 H new ATOM 0 HB3 GLU A 806 -25.063 51.465 -6.695 1.00 44.02 H new ATOM 0 HG2 GLU A 806 -26.828 50.802 -9.063 1.00 14.35 H new ATOM 0 HG3 GLU A 806 -25.688 49.640 -8.415 1.00 14.35 H new ATOM 974 N LEU A 807 -24.758 54.162 -6.092 1.00 5.51 N ATOM 975 CA LEU A 807 -24.539 54.846 -4.822 1.00 34.03 C ATOM 976 C LEU A 807 -25.224 56.209 -4.812 1.00 71.02 C ATOM 977 O LEU A 807 -25.724 56.658 -3.780 1.00 71.25 O ATOM 978 CB LEU A 807 -23.041 55.013 -4.561 1.00 15.15 C ATOM 979 CG LEU A 807 -22.357 53.865 -3.818 1.00 34.13 C ATOM 980 CD1 LEU A 807 -22.971 53.681 -2.438 1.00 42.03 C ATOM 981 CD2 LEU A 807 -22.454 52.577 -4.622 1.00 63.13 C ATOM 0 H LEU A 807 -23.920 54.059 -6.665 1.00 5.51 H new ATOM 0 HA LEU A 807 -24.973 54.236 -4.030 1.00 34.03 H new ATOM 0 HB2 LEU A 807 -22.539 55.150 -5.519 1.00 15.15 H new ATOM 0 HB3 LEU A 807 -22.892 55.929 -3.989 1.00 15.15 H new ATOM 0 HG LEU A 807 -21.303 54.115 -3.694 1.00 34.13 H new ATOM 0 HD11 LEU A 807 -22.472 52.860 -1.924 1.00 42.03 H new ATOM 0 HD12 LEU A 807 -22.850 54.598 -1.861 1.00 42.03 H new ATOM 0 HD13 LEU A 807 -24.032 53.454 -2.539 1.00 42.03 H new ATOM 0 HD21 LEU A 807 -21.962 51.771 -4.078 1.00 63.13 H new ATOM 0 HD22 LEU A 807 -23.503 52.323 -4.777 1.00 63.13 H new ATOM 0 HD23 LEU A 807 -21.967 52.713 -5.588 1.00 63.13 H new ATOM 993 N LYS A 808 -25.245 56.863 -5.969 1.00 30.23 N ATOM 994 CA LYS A 808 -25.871 58.173 -6.096 1.00 53.31 C ATOM 995 C LYS A 808 -27.385 58.071 -5.933 1.00 45.41 C ATOM 996 O LYS A 808 -27.966 58.695 -5.046 1.00 62.40 O ATOM 997 CB LYS A 808 -25.535 58.792 -7.454 1.00 45.55 C ATOM 998 CG LYS A 808 -26.223 60.124 -7.704 1.00 25.54 C ATOM 999 CD LYS A 808 -25.917 60.658 -9.093 1.00 30.31 C ATOM 1000 CE LYS A 808 -24.624 61.458 -9.110 1.00 64.24 C ATOM 1001 NZ LYS A 808 -24.019 61.506 -10.471 1.00 33.53 N ATOM 0 H LYS A 808 -24.835 56.506 -6.832 1.00 30.23 H new ATOM 0 HA LYS A 808 -25.480 58.813 -5.305 1.00 53.31 H new ATOM 0 HB2 LYS A 808 -24.456 58.931 -7.523 1.00 45.55 H new ATOM 0 HB3 LYS A 808 -25.817 58.094 -8.242 1.00 45.55 H new ATOM 0 HG2 LYS A 808 -27.300 60.005 -7.588 1.00 25.54 H new ATOM 0 HG3 LYS A 808 -25.900 60.848 -6.956 1.00 25.54 H new ATOM 0 HD2 LYS A 808 -25.841 59.827 -9.795 1.00 30.31 H new ATOM 0 HD3 LYS A 808 -26.740 61.287 -9.431 1.00 30.31 H new ATOM 0 HE2 LYS A 808 -24.820 62.473 -8.764 1.00 64.24 H new ATOM 0 HE3 LYS A 808 -23.914 61.015 -8.412 1.00 64.24 H new ATOM 0 HZ1 LYS A 808 -23.140 62.060 -10.441 1.00 33.53 H new ATOM 0 HZ2 LYS A 808 -23.808 60.539 -10.791 1.00 33.53 H new ATOM 0 HZ3 LYS A 808 -24.687 61.952 -11.132 1.00 33.53 H new ATOM 1015 N ASN A 809 -28.016 57.280 -6.795 1.00 1.44 N ATOM 1016 CA ASN A 809 -29.462 57.096 -6.745 1.00 2.30 C ATOM 1017 C ASN A 809 -29.898 56.581 -5.377 1.00 21.12 C ATOM 1018 O ASN A 809 -30.873 57.065 -4.801 1.00 65.04 O ATOM 1019 CB ASN A 809 -29.911 56.122 -7.836 1.00 44.22 C ATOM 1020 CG ASN A 809 -31.300 55.571 -7.583 1.00 34.41 C ATOM 1021 OD1 ASN A 809 -32.271 56.322 -7.489 1.00 1.24 O ATOM 1022 ND2 ASN A 809 -31.402 54.251 -7.471 1.00 42.32 N ATOM 0 H ASN A 809 -27.549 56.757 -7.536 1.00 1.44 H new ATOM 0 HA ASN A 809 -29.933 58.064 -6.916 1.00 2.30 H new ATOM 0 HB2 ASN A 809 -29.894 56.629 -8.801 1.00 44.22 H new ATOM 0 HB3 ASN A 809 -29.201 55.297 -7.897 1.00 44.22 H new ATOM 0 HD21 ASN A 809 -32.312 53.822 -7.300 1.00 42.32 H new ATOM 0 HD22 ASN A 809 -30.571 53.666 -7.556 1.00 42.32 H new ATOM 1029 N SER A 810 -29.169 55.596 -4.862 1.00 2.14 N ATOM 1030 CA SER A 810 -29.482 55.012 -3.562 1.00 43.45 C ATOM 1031 C SER A 810 -29.344 56.051 -2.453 1.00 71.40 C ATOM 1032 O SER A 810 -30.253 56.236 -1.645 1.00 35.31 O ATOM 1033 CB SER A 810 -28.563 53.822 -3.280 1.00 2.43 C ATOM 1034 OG SER A 810 -28.715 53.365 -1.947 1.00 55.51 O ATOM 0 H SER A 810 -28.358 55.185 -5.325 1.00 2.14 H new ATOM 0 HA SER A 810 -30.515 54.666 -3.585 1.00 43.45 H new ATOM 0 HB2 SER A 810 -28.789 53.012 -3.973 1.00 2.43 H new ATOM 0 HB3 SER A 810 -27.526 54.110 -3.453 1.00 2.43 H new ATOM 0 HG SER A 810 -28.118 52.603 -1.792 1.00 55.51 H new ATOM 1040 N ALA A 811 -28.200 56.725 -2.421 1.00 44.44 N ATOM 1041 CA ALA A 811 -27.942 57.746 -1.413 1.00 53.35 C ATOM 1042 C ALA A 811 -29.084 58.756 -1.350 1.00 63.54 C ATOM 1043 O ALA A 811 -29.636 59.018 -0.282 1.00 23.23 O ATOM 1044 CB ALA A 811 -26.626 58.453 -1.702 1.00 21.22 C ATOM 0 H ALA A 811 -27.436 56.583 -3.082 1.00 44.44 H new ATOM 0 HA ALA A 811 -27.872 57.254 -0.443 1.00 53.35 H new ATOM 0 HB1 ALA A 811 -26.446 59.213 -0.941 1.00 21.22 H new ATOM 0 HB2 ALA A 811 -25.813 57.727 -1.689 1.00 21.22 H new ATOM 0 HB3 ALA A 811 -26.675 58.926 -2.683 1.00 21.22 H new ATOM 1050 N VAL A 812 -29.433 59.320 -2.502 1.00 61.22 N ATOM 1051 CA VAL A 812 -30.509 60.300 -2.578 1.00 13.42 C ATOM 1052 C VAL A 812 -31.843 59.685 -2.168 1.00 43.41 C ATOM 1053 O VAL A 812 -32.665 60.335 -1.524 1.00 33.32 O ATOM 1054 CB VAL A 812 -30.640 60.882 -3.998 1.00 4.41 C ATOM 1055 CG1 VAL A 812 -31.780 61.887 -4.061 1.00 32.21 C ATOM 1056 CG2 VAL A 812 -29.330 61.522 -4.433 1.00 50.32 C ATOM 0 H VAL A 812 -28.986 59.115 -3.395 1.00 61.22 H new ATOM 0 HA VAL A 812 -30.254 61.103 -1.886 1.00 13.42 H new ATOM 0 HB VAL A 812 -30.867 60.068 -4.686 1.00 4.41 H new ATOM 0 HG11 VAL A 812 -31.857 62.287 -5.072 1.00 32.21 H new ATOM 0 HG12 VAL A 812 -32.715 61.394 -3.794 1.00 32.21 H new ATOM 0 HG13 VAL A 812 -31.586 62.701 -3.362 1.00 32.21 H new ATOM 0 HG21 VAL A 812 -29.440 61.928 -5.438 1.00 50.32 H new ATOM 0 HG22 VAL A 812 -29.071 62.325 -3.743 1.00 50.32 H new ATOM 0 HG23 VAL A 812 -28.540 60.772 -4.429 1.00 50.32 H new ATOM 1066 N ASN A 813 -32.049 58.428 -2.546 1.00 53.13 N ATOM 1067 CA ASN A 813 -33.284 57.724 -2.218 1.00 42.31 C ATOM 1068 C ASN A 813 -33.397 57.498 -0.714 1.00 33.34 C ATOM 1069 O ASN A 813 -34.489 57.560 -0.146 1.00 23.21 O ATOM 1070 CB ASN A 813 -33.342 56.384 -2.953 1.00 22.51 C ATOM 1071 CG ASN A 813 -34.693 55.709 -2.819 1.00 54.05 C ATOM 1072 OD1 ASN A 813 -35.496 55.713 -3.753 1.00 15.14 O ATOM 1073 ND2 ASN A 813 -34.951 55.125 -1.655 1.00 2.43 N ATOM 0 H ASN A 813 -31.377 57.876 -3.079 1.00 53.13 H new ATOM 0 HA ASN A 813 -34.122 58.342 -2.539 1.00 42.31 H new ATOM 0 HB2 ASN A 813 -33.121 56.542 -4.009 1.00 22.51 H new ATOM 0 HB3 ASN A 813 -32.569 55.724 -2.561 1.00 22.51 H new ATOM 0 HD21 ASN A 813 -35.844 54.655 -1.507 1.00 2.43 H new ATOM 0 HD22 ASN A 813 -34.256 55.146 -0.909 1.00 2.43 H new ATOM 1080 N LEU A 814 -32.263 57.235 -0.073 1.00 54.43 N ATOM 1081 CA LEU A 814 -32.234 57.000 1.366 1.00 13.11 C ATOM 1082 C LEU A 814 -32.506 58.290 2.134 1.00 23.42 C ATOM 1083 O LEU A 814 -33.263 58.299 3.106 1.00 71.34 O ATOM 1084 CB LEU A 814 -30.880 56.421 1.781 1.00 55.21 C ATOM 1085 CG LEU A 814 -30.868 55.604 3.073 1.00 65.31 C ATOM 1086 CD1 LEU A 814 -31.272 54.164 2.798 1.00 61.35 C ATOM 1087 CD2 LEU A 814 -29.494 55.658 3.725 1.00 44.40 C ATOM 0 H LEU A 814 -31.352 57.179 -0.528 1.00 54.43 H new ATOM 0 HA LEU A 814 -33.018 56.283 1.608 1.00 13.11 H new ATOM 0 HB2 LEU A 814 -30.514 55.789 0.972 1.00 55.21 H new ATOM 0 HB3 LEU A 814 -30.173 57.244 1.888 1.00 55.21 H new ATOM 0 HG LEU A 814 -31.593 56.038 3.761 1.00 65.31 H new ATOM 0 HD11 LEU A 814 -31.258 53.598 3.729 1.00 61.35 H new ATOM 0 HD12 LEU A 814 -32.277 54.142 2.376 1.00 61.35 H new ATOM 0 HD13 LEU A 814 -30.572 53.718 2.092 1.00 61.35 H new ATOM 0 HD21 LEU A 814 -29.504 55.071 4.643 1.00 44.40 H new ATOM 0 HD22 LEU A 814 -28.750 55.249 3.041 1.00 44.40 H new ATOM 0 HD23 LEU A 814 -29.242 56.693 3.958 1.00 44.40 H new ATOM 1099 N LEU A 815 -31.885 59.377 1.692 1.00 45.41 N ATOM 1100 CA LEU A 815 -32.061 60.674 2.336 1.00 4.33 C ATOM 1101 C LEU A 815 -33.509 61.142 2.233 1.00 61.43 C ATOM 1102 O LEU A 815 -34.128 61.503 3.233 1.00 62.44 O ATOM 1103 CB LEU A 815 -31.132 61.711 1.702 1.00 4.13 C ATOM 1104 CG LEU A 815 -29.650 61.595 2.064 1.00 54.13 C ATOM 1105 CD1 LEU A 815 -28.801 62.416 1.106 1.00 53.41 C ATOM 1106 CD2 LEU A 815 -29.416 62.038 3.501 1.00 62.53 C ATOM 0 H LEU A 815 -31.255 59.387 0.890 1.00 45.41 H new ATOM 0 HA LEU A 815 -31.808 60.565 3.391 1.00 4.33 H new ATOM 0 HB2 LEU A 815 -31.227 61.641 0.618 1.00 4.13 H new ATOM 0 HB3 LEU A 815 -31.479 62.704 1.989 1.00 4.13 H new ATOM 0 HG LEU A 815 -29.354 60.550 1.974 1.00 54.13 H new ATOM 0 HD11 LEU A 815 -27.750 62.321 1.379 1.00 53.41 H new ATOM 0 HD12 LEU A 815 -28.946 62.053 0.089 1.00 53.41 H new ATOM 0 HD13 LEU A 815 -29.098 63.463 1.163 1.00 53.41 H new ATOM 0 HD21 LEU A 815 -28.357 61.949 3.741 1.00 62.53 H new ATOM 0 HD22 LEU A 815 -29.728 63.076 3.617 1.00 62.53 H new ATOM 0 HD23 LEU A 815 -29.995 61.407 4.175 1.00 62.53 H new ATOM 1118 N ASN A 816 -34.043 61.130 1.016 1.00 75.11 N ATOM 1119 CA ASN A 816 -35.420 61.551 0.782 1.00 40.13 C ATOM 1120 C ASN A 816 -36.395 60.689 1.577 1.00 34.12 C ATOM 1121 O ASN A 816 -37.162 61.195 2.396 1.00 3.32 O ATOM 1122 CB ASN A 816 -35.752 61.473 -0.710 1.00 14.33 C ATOM 1123 CG ASN A 816 -35.326 62.719 -1.463 1.00 32.23 C ATOM 1124 OD1 ASN A 816 -34.804 63.665 -0.874 1.00 11.51 O ATOM 1125 ND2 ASN A 816 -35.548 62.723 -2.772 1.00 41.20 N ATOM 0 H ASN A 816 -33.544 60.834 0.177 1.00 75.11 H new ATOM 0 HA ASN A 816 -35.520 62.584 1.117 1.00 40.13 H new ATOM 0 HB2 ASN A 816 -35.259 60.603 -1.144 1.00 14.33 H new ATOM 0 HB3 ASN A 816 -36.825 61.326 -0.834 1.00 14.33 H new ATOM 0 HD21 ASN A 816 -35.283 63.533 -3.332 1.00 41.20 H new ATOM 0 HD22 ASN A 816 -35.984 61.916 -3.218 1.00 41.20 H new ATOM 1132 N ALA A 817 -36.360 59.384 1.330 1.00 31.41 N ATOM 1133 CA ALA A 817 -37.239 58.451 2.025 1.00 64.43 C ATOM 1134 C ALA A 817 -37.188 58.669 3.533 1.00 34.31 C ATOM 1135 O ALA A 817 -38.219 58.665 4.207 1.00 74.52 O ATOM 1136 CB ALA A 817 -36.861 57.017 1.684 1.00 62.30 C ATOM 0 H ALA A 817 -35.733 58.949 0.654 1.00 31.41 H new ATOM 0 HA ALA A 817 -38.260 58.635 1.692 1.00 64.43 H new ATOM 0 HB1 ALA A 817 -37.525 56.331 2.210 1.00 62.30 H new ATOM 0 HB2 ALA A 817 -36.955 56.862 0.609 1.00 62.30 H new ATOM 0 HB3 ALA A 817 -35.831 56.830 1.989 1.00 62.30 H new ATOM 1142 N THR A 818 -35.982 58.859 4.059 1.00 33.43 N ATOM 1143 CA THR A 818 -35.798 59.076 5.488 1.00 5.44 C ATOM 1144 C THR A 818 -36.494 60.353 5.945 1.00 52.24 C ATOM 1145 O THR A 818 -37.106 60.390 7.012 1.00 43.42 O ATOM 1146 CB THR A 818 -34.304 59.161 5.855 1.00 21.24 C ATOM 1147 OG1 THR A 818 -33.671 57.897 5.628 1.00 73.51 O ATOM 1148 CG2 THR A 818 -34.126 59.568 7.310 1.00 13.13 C ATOM 0 H THR A 818 -35.118 58.867 3.516 1.00 33.43 H new ATOM 0 HA THR A 818 -36.243 58.221 5.997 1.00 5.44 H new ATOM 0 HB THR A 818 -33.840 59.918 5.223 1.00 21.24 H new ATOM 0 HG1 THR A 818 -33.619 57.725 4.665 1.00 73.51 H new ATOM 0 HG21 THR A 818 -33.063 59.621 7.545 1.00 13.13 H new ATOM 0 HG22 THR A 818 -34.583 60.544 7.473 1.00 13.13 H new ATOM 0 HG23 THR A 818 -34.604 58.831 7.955 1.00 13.13 H new ATOM 1156 N ALA A 819 -36.398 61.398 5.129 1.00 71.01 N ATOM 1157 CA ALA A 819 -37.022 62.676 5.448 1.00 2.20 C ATOM 1158 C ALA A 819 -38.542 62.573 5.398 1.00 74.31 C ATOM 1159 O ALA A 819 -39.244 63.238 6.160 1.00 34.11 O ATOM 1160 CB ALA A 819 -36.532 63.755 4.493 1.00 15.13 C ATOM 0 H ALA A 819 -35.894 61.384 4.242 1.00 71.01 H new ATOM 0 HA ALA A 819 -36.736 62.948 6.464 1.00 2.20 H new ATOM 0 HB1 ALA A 819 -37.006 64.704 4.743 1.00 15.13 H new ATOM 0 HB2 ALA A 819 -35.450 63.855 4.581 1.00 15.13 H new ATOM 0 HB3 ALA A 819 -36.788 63.479 3.470 1.00 15.13 H new ATOM 1166 N ILE A 820 -39.044 61.736 4.496 1.00 33.11 N ATOM 1167 CA ILE A 820 -40.482 61.546 4.348 1.00 41.13 C ATOM 1168 C ILE A 820 -41.056 60.756 5.519 1.00 62.11 C ATOM 1169 O ILE A 820 -42.186 60.991 5.945 1.00 71.01 O ATOM 1170 CB ILE A 820 -40.821 60.815 3.035 1.00 43.40 C ATOM 1171 CG1 ILE A 820 -40.369 61.646 1.832 1.00 3.22 C ATOM 1172 CG2 ILE A 820 -42.313 60.530 2.958 1.00 71.13 C ATOM 1173 CD1 ILE A 820 -40.993 63.023 1.780 1.00 2.10 C ATOM 0 H ILE A 820 -38.477 61.179 3.857 1.00 33.11 H new ATOM 0 HA ILE A 820 -40.931 62.539 4.328 1.00 41.13 H new ATOM 0 HB ILE A 820 -40.288 59.864 3.017 1.00 43.40 H new ATOM 0 HG12 ILE A 820 -39.284 61.748 1.858 1.00 3.22 H new ATOM 0 HG13 ILE A 820 -40.616 61.109 0.916 1.00 3.22 H new ATOM 0 HG21 ILE A 820 -42.537 60.013 2.025 1.00 71.13 H new ATOM 0 HG22 ILE A 820 -42.608 59.903 3.800 1.00 71.13 H new ATOM 0 HG23 ILE A 820 -42.865 61.469 2.994 1.00 71.13 H new ATOM 0 HD11 ILE A 820 -40.627 63.555 0.902 1.00 2.10 H new ATOM 0 HD12 ILE A 820 -42.077 62.929 1.722 1.00 2.10 H new ATOM 0 HD13 ILE A 820 -40.725 63.578 2.679 1.00 2.10 H new ATOM 1185 N ALA A 821 -40.268 59.819 6.036 1.00 1.13 N ATOM 1186 CA ALA A 821 -40.696 58.997 7.161 1.00 22.31 C ATOM 1187 C ALA A 821 -40.444 59.706 8.487 1.00 15.41 C ATOM 1188 O ALA A 821 -41.119 59.442 9.482 1.00 31.42 O ATOM 1189 CB ALA A 821 -39.981 57.654 7.135 1.00 21.21 C ATOM 0 H ALA A 821 -39.330 59.610 5.694 1.00 1.13 H new ATOM 0 HA ALA A 821 -41.769 58.828 7.068 1.00 22.31 H new ATOM 0 HB1 ALA A 821 -40.310 57.050 7.981 1.00 21.21 H new ATOM 0 HB2 ALA A 821 -40.215 57.135 6.206 1.00 21.21 H new ATOM 0 HB3 ALA A 821 -38.905 57.813 7.200 1.00 21.21 H new ATOM 1195 N VAL A 822 -39.469 60.609 8.494 1.00 2.32 N ATOM 1196 CA VAL A 822 -39.129 61.358 9.698 1.00 24.33 C ATOM 1197 C VAL A 822 -39.992 62.607 9.831 1.00 11.12 C ATOM 1198 O VAL A 822 -40.225 63.098 10.935 1.00 13.22 O ATOM 1199 CB VAL A 822 -37.645 61.770 9.702 1.00 25.14 C ATOM 1200 CG1 VAL A 822 -37.450 63.072 8.940 1.00 64.40 C ATOM 1201 CG2 VAL A 822 -37.131 61.896 11.129 1.00 61.23 C ATOM 0 H VAL A 822 -38.900 60.840 7.679 1.00 2.32 H new ATOM 0 HA VAL A 822 -39.318 60.698 10.545 1.00 24.33 H new ATOM 0 HB VAL A 822 -37.069 60.993 9.200 1.00 25.14 H new ATOM 0 HG11 VAL A 822 -36.395 63.347 8.954 1.00 64.40 H new ATOM 0 HG12 VAL A 822 -37.778 62.943 7.909 1.00 64.40 H new ATOM 0 HG13 VAL A 822 -38.037 63.861 9.411 1.00 64.40 H new ATOM 0 HG21 VAL A 822 -36.081 62.188 11.113 1.00 61.23 H new ATOM 0 HG22 VAL A 822 -37.710 62.653 11.659 1.00 61.23 H new ATOM 0 HG23 VAL A 822 -37.234 60.938 11.639 1.00 61.23 H new ATOM 1211 N ALA A 823 -40.465 63.116 8.698 1.00 4.32 N ATOM 1212 CA ALA A 823 -41.305 64.307 8.688 1.00 41.30 C ATOM 1213 C ALA A 823 -42.773 63.945 8.882 1.00 73.24 C ATOM 1214 O ALA A 823 -43.647 64.809 8.826 1.00 54.02 O ATOM 1215 CB ALA A 823 -41.116 65.075 7.388 1.00 2.42 C ATOM 0 H ALA A 823 -40.281 62.722 7.775 1.00 4.32 H new ATOM 0 HA ALA A 823 -41.002 64.942 9.520 1.00 41.30 H new ATOM 0 HB1 ALA A 823 -41.749 65.962 7.394 1.00 2.42 H new ATOM 0 HB2 ALA A 823 -40.073 65.375 7.291 1.00 2.42 H new ATOM 0 HB3 ALA A 823 -41.391 64.439 6.546 1.00 2.42 H new ATOM 1243 N THR A 826 -44.429 62.184 14.735 1.00 45.13 N ATOM 1244 CA THR A 826 -45.454 62.681 15.643 1.00 31.34 C ATOM 1245 C THR A 826 -46.121 63.934 15.088 1.00 62.11 C ATOM 1246 O THR A 826 -47.204 64.319 15.528 1.00 52.12 O ATOM 1247 CB THR A 826 -44.868 62.997 17.032 1.00 13.44 C ATOM 1248 OG1 THR A 826 -45.923 63.309 17.949 1.00 31.35 O ATOM 1249 CG2 THR A 826 -43.895 64.164 16.956 1.00 20.01 C ATOM 0 HA THR A 826 -46.198 61.891 15.742 1.00 31.34 H new ATOM 0 HB THR A 826 -44.329 62.117 17.383 1.00 13.44 H new ATOM 0 HG1 THR A 826 -46.650 63.760 17.470 1.00 31.35 H new ATOM 0 HG21 THR A 826 -43.494 64.369 17.949 1.00 20.01 H new ATOM 0 HG22 THR A 826 -43.078 63.913 16.279 1.00 20.01 H new ATOM 0 HG23 THR A 826 -44.415 65.048 16.585 1.00 20.01 H new ATOM 1257 N ASP A 827 -45.468 64.566 14.119 1.00 64.20 N ATOM 1258 CA ASP A 827 -45.999 65.776 13.502 1.00 63.54 C ATOM 1259 C ASP A 827 -47.433 65.559 13.028 1.00 3.52 C ATOM 1260 O ASP A 827 -48.297 66.414 13.225 1.00 31.42 O ATOM 1261 CB ASP A 827 -45.119 66.202 12.325 1.00 21.24 C ATOM 1262 CG ASP A 827 -44.927 65.090 11.313 1.00 74.03 C ATOM 1263 OD1 ASP A 827 -45.794 64.939 10.426 1.00 41.02 O ATOM 1264 OD2 ASP A 827 -43.911 64.371 11.407 1.00 42.35 O ATOM 0 H ASP A 827 -44.570 64.261 13.744 1.00 64.20 H new ATOM 0 HA ASP A 827 -45.998 66.567 14.252 1.00 63.54 H new ATOM 0 HB2 ASP A 827 -45.569 67.064 11.832 1.00 21.24 H new ATOM 0 HB3 ASP A 827 -44.146 66.521 12.699 1.00 21.24 H new ATOM 1269 N ARG A 828 -47.677 64.413 12.402 1.00 34.13 N ATOM 1270 CA ARG A 828 -49.006 64.086 11.899 1.00 61.24 C ATOM 1271 C ARG A 828 -50.032 64.090 13.028 1.00 2.21 C ATOM 1272 O ARG A 828 -51.182 64.484 12.835 1.00 71.23 O ATOM 1273 CB ARG A 828 -48.992 62.718 11.213 1.00 52.30 C ATOM 1274 CG ARG A 828 -50.189 62.479 10.308 1.00 54.04 C ATOM 1275 CD ARG A 828 -50.199 61.061 9.759 1.00 25.44 C ATOM 1276 NE ARG A 828 -51.242 60.868 8.756 1.00 50.31 N ATOM 1277 CZ ARG A 828 -51.467 59.712 8.142 1.00 41.23 C ATOM 1278 NH1 ARG A 828 -50.726 58.651 8.427 1.00 25.34 N ATOM 1279 NH2 ARG A 828 -52.435 59.616 7.240 1.00 54.02 N ATOM 0 H ARG A 828 -46.973 63.695 12.231 1.00 34.13 H new ATOM 0 HA ARG A 828 -49.289 64.847 11.172 1.00 61.24 H new ATOM 0 HB2 ARG A 828 -48.079 62.625 10.626 1.00 52.30 H new ATOM 0 HB3 ARG A 828 -48.962 61.939 11.975 1.00 52.30 H new ATOM 0 HG2 ARG A 828 -51.109 62.661 10.864 1.00 54.04 H new ATOM 0 HG3 ARG A 828 -50.169 63.190 9.482 1.00 54.04 H new ATOM 0 HD2 ARG A 828 -49.227 60.836 9.319 1.00 25.44 H new ATOM 0 HD3 ARG A 828 -50.349 60.357 10.577 1.00 25.44 H new ATOM 0 HE ARG A 828 -51.830 61.665 8.513 1.00 50.31 H new ATOM 0 HH11 ARG A 828 -49.980 58.721 9.120 1.00 25.34 H new ATOM 0 HH12 ARG A 828 -50.901 57.765 7.954 1.00 25.34 H new ATOM 0 HH21 ARG A 828 -53.007 60.430 7.017 1.00 54.02 H new ATOM 0 HH22 ARG A 828 -52.607 58.728 6.769 1.00 54.02 H new ATOM 1293 N VAL A 829 -49.607 63.649 14.208 1.00 13.11 N ATOM 1294 CA VAL A 829 -50.488 63.603 15.369 1.00 72.41 C ATOM 1295 C VAL A 829 -50.691 64.993 15.961 1.00 71.21 C ATOM 1296 O VAL A 829 -51.771 65.316 16.457 1.00 61.50 O ATOM 1297 CB VAL A 829 -49.931 62.669 16.459 1.00 23.45 C ATOM 1298 CG1 VAL A 829 -50.948 62.483 17.575 1.00 0.10 C ATOM 1299 CG2 VAL A 829 -49.534 61.328 15.860 1.00 21.12 C ATOM 0 H VAL A 829 -48.658 63.319 14.385 1.00 13.11 H new ATOM 0 HA VAL A 829 -51.446 63.215 15.024 1.00 72.41 H new ATOM 0 HB VAL A 829 -49.040 63.129 16.885 1.00 23.45 H new ATOM 0 HG11 VAL A 829 -50.536 61.820 18.336 1.00 0.10 H new ATOM 0 HG12 VAL A 829 -51.178 63.450 18.022 1.00 0.10 H new ATOM 0 HG13 VAL A 829 -51.859 62.046 17.167 1.00 0.10 H new ATOM 0 HG21 VAL A 829 -49.142 60.681 16.645 1.00 21.12 H new ATOM 0 HG22 VAL A 829 -50.407 60.860 15.405 1.00 21.12 H new ATOM 0 HG23 VAL A 829 -48.768 61.481 15.100 1.00 21.12 H new ATOM 1309 N ILE A 830 -49.646 65.812 15.905 1.00 74.12 N ATOM 1310 CA ILE A 830 -49.711 67.168 16.434 1.00 3.51 C ATOM 1311 C ILE A 830 -50.544 68.072 15.531 1.00 23.11 C ATOM 1312 O ILE A 830 -51.321 68.897 16.010 1.00 42.12 O ATOM 1313 CB ILE A 830 -48.305 67.777 16.595 1.00 52.33 C ATOM 1314 CG1 ILE A 830 -47.463 66.926 17.547 1.00 43.11 C ATOM 1315 CG2 ILE A 830 -48.403 69.209 17.101 1.00 62.32 C ATOM 1316 CD1 ILE A 830 -48.000 66.889 18.960 1.00 33.13 C ATOM 0 H ILE A 830 -48.745 65.560 15.499 1.00 74.12 H new ATOM 0 HA ILE A 830 -50.184 67.102 17.414 1.00 3.51 H new ATOM 0 HB ILE A 830 -47.816 67.789 15.621 1.00 52.33 H new ATOM 0 HG12 ILE A 830 -47.410 65.908 17.161 1.00 43.11 H new ATOM 0 HG13 ILE A 830 -46.445 67.314 17.564 1.00 43.11 H new ATOM 0 HG21 ILE A 830 -47.402 69.626 17.210 1.00 62.32 H new ATOM 0 HG22 ILE A 830 -48.970 69.808 16.389 1.00 62.32 H new ATOM 0 HG23 ILE A 830 -48.907 69.220 18.067 1.00 62.32 H new ATOM 0 HD11 ILE A 830 -47.353 66.267 19.579 1.00 33.13 H new ATOM 0 HD12 ILE A 830 -48.027 67.900 19.365 1.00 33.13 H new ATOM 0 HD13 ILE A 830 -49.007 66.472 18.956 1.00 33.13 H new ATOM 1328 N GLU A 831 -50.376 67.908 14.222 1.00 15.05 N ATOM 1329 CA GLU A 831 -51.114 68.709 13.253 1.00 73.24 C ATOM 1330 C GLU A 831 -52.583 68.297 13.212 1.00 11.00 C ATOM 1331 O GLU A 831 -53.475 69.143 13.153 1.00 13.23 O ATOM 1332 CB GLU A 831 -50.494 68.564 11.861 1.00 11.03 C ATOM 1333 CG GLU A 831 -50.432 67.128 11.369 1.00 71.11 C ATOM 1334 CD GLU A 831 -51.655 66.734 10.563 1.00 44.33 C ATOM 1335 OE1 GLU A 831 -51.666 65.615 10.009 1.00 43.21 O ATOM 1336 OE2 GLU A 831 -52.600 67.546 10.486 1.00 55.30 O ATOM 0 H GLU A 831 -49.736 67.229 13.809 1.00 15.05 H new ATOM 0 HA GLU A 831 -51.056 69.752 13.563 1.00 73.24 H new ATOM 0 HB2 GLU A 831 -51.071 69.158 11.152 1.00 11.03 H new ATOM 0 HB3 GLU A 831 -49.486 68.978 11.877 1.00 11.03 H new ATOM 0 HG2 GLU A 831 -49.540 66.996 10.757 1.00 71.11 H new ATOM 0 HG3 GLU A 831 -50.334 66.459 12.224 1.00 71.11 H new ATOM 1343 N VAL A 832 -52.826 66.991 13.243 1.00 35.41 N ATOM 1344 CA VAL A 832 -54.186 66.465 13.211 1.00 52.25 C ATOM 1345 C VAL A 832 -54.941 66.815 14.488 1.00 54.43 C ATOM 1346 O VAL A 832 -56.140 67.098 14.456 1.00 61.22 O ATOM 1347 CB VAL A 832 -54.193 64.936 13.026 1.00 3.02 C ATOM 1348 CG1 VAL A 832 -53.669 64.245 14.276 1.00 42.11 C ATOM 1349 CG2 VAL A 832 -55.592 64.447 12.684 1.00 41.24 C ATOM 0 H VAL A 832 -52.099 66.277 13.290 1.00 35.41 H new ATOM 0 HA VAL A 832 -54.684 66.928 12.359 1.00 52.25 H new ATOM 0 HB VAL A 832 -53.532 64.685 12.196 1.00 3.02 H new ATOM 0 HG11 VAL A 832 -53.681 63.165 14.127 1.00 42.11 H new ATOM 0 HG12 VAL A 832 -52.648 64.573 14.472 1.00 42.11 H new ATOM 0 HG13 VAL A 832 -54.302 64.501 15.126 1.00 42.11 H new ATOM 0 HG21 VAL A 832 -55.578 63.365 12.557 1.00 41.24 H new ATOM 0 HG22 VAL A 832 -56.276 64.709 13.491 1.00 41.24 H new ATOM 0 HG23 VAL A 832 -55.926 64.917 11.759 1.00 41.24 H new ATOM 1359 N LEU A 833 -54.233 66.796 15.611 1.00 31.34 N ATOM 1360 CA LEU A 833 -54.836 67.112 16.902 1.00 52.05 C ATOM 1361 C LEU A 833 -55.179 68.596 16.993 1.00 23.55 C ATOM 1362 O LEU A 833 -56.320 68.962 17.273 1.00 23.02 O ATOM 1363 CB LEU A 833 -53.889 66.724 18.038 1.00 2.32 C ATOM 1364 CG LEU A 833 -54.510 66.648 19.433 1.00 11.33 C ATOM 1365 CD1 LEU A 833 -55.683 65.680 19.444 1.00 65.35 C ATOM 1366 CD2 LEU A 833 -53.466 66.235 20.460 1.00 1.54 C ATOM 0 H LEU A 833 -53.240 66.565 15.655 1.00 31.34 H new ATOM 0 HA LEU A 833 -55.758 66.539 16.996 1.00 52.05 H new ATOM 0 HB2 LEU A 833 -53.451 65.754 17.804 1.00 2.32 H new ATOM 0 HB3 LEU A 833 -53.072 67.445 18.065 1.00 2.32 H new ATOM 0 HG LEU A 833 -54.880 67.638 19.699 1.00 11.33 H new ATOM 0 HD11 LEU A 833 -56.112 65.639 20.445 1.00 65.35 H new ATOM 0 HD12 LEU A 833 -56.441 66.019 18.738 1.00 65.35 H new ATOM 0 HD13 LEU A 833 -55.338 64.687 19.157 1.00 65.35 H new ATOM 0 HD21 LEU A 833 -53.926 66.186 21.447 1.00 1.54 H new ATOM 0 HD22 LEU A 833 -53.065 65.256 20.198 1.00 1.54 H new ATOM 0 HD23 LEU A 833 -52.658 66.967 20.472 1.00 1.54 H new ATOM 1378 N GLN A 834 -54.184 69.443 16.754 1.00 5.31 N ATOM 1379 CA GLN A 834 -54.381 70.887 16.809 1.00 43.04 C ATOM 1380 C GLN A 834 -55.419 71.334 15.785 1.00 73.41 C ATOM 1381 O GLN A 834 -56.222 72.228 16.050 1.00 20.23 O ATOM 1382 CB GLN A 834 -53.058 71.613 16.561 1.00 44.45 C ATOM 1383 CG GLN A 834 -52.513 71.422 15.154 1.00 24.34 C ATOM 1384 CD GLN A 834 -51.045 71.784 15.043 1.00 23.41 C ATOM 1385 OE1 GLN A 834 -50.280 71.625 15.995 1.00 14.25 O ATOM 1386 NE2 GLN A 834 -50.642 72.273 13.876 1.00 31.30 N ATOM 0 H GLN A 834 -53.234 69.155 16.521 1.00 5.31 H new ATOM 0 HA GLN A 834 -54.746 71.141 17.804 1.00 43.04 H new ATOM 0 HB2 GLN A 834 -53.197 72.678 16.746 1.00 44.45 H new ATOM 0 HB3 GLN A 834 -52.319 71.259 17.279 1.00 44.45 H new ATOM 0 HG2 GLN A 834 -52.651 70.384 14.853 1.00 24.34 H new ATOM 0 HG3 GLN A 834 -53.088 72.034 14.459 1.00 24.34 H new ATOM 0 HE21 GLN A 834 -51.310 72.388 13.113 1.00 31.30 H new ATOM 0 HE22 GLN A 834 -49.665 72.533 13.742 1.00 31.30 H new ATOM 1395 N ALA A 835 -55.397 70.705 14.614 1.00 13.02 N ATOM 1396 CA ALA A 835 -56.338 71.037 13.551 1.00 31.43 C ATOM 1397 C ALA A 835 -57.768 70.698 13.958 1.00 30.34 C ATOM 1398 O ALA A 835 -58.655 71.550 13.913 1.00 23.23 O ATOM 1399 CB ALA A 835 -55.965 70.307 12.270 1.00 70.44 C ATOM 0 H ALA A 835 -54.738 69.963 14.378 1.00 13.02 H new ATOM 0 HA ALA A 835 -56.284 72.111 13.373 1.00 31.43 H new ATOM 0 HB1 ALA A 835 -56.676 70.564 11.485 1.00 70.44 H new ATOM 0 HB2 ALA A 835 -54.962 70.602 11.962 1.00 70.44 H new ATOM 0 HB3 ALA A 835 -55.990 69.231 12.444 1.00 70.44 H new ATOM 1405 N ALA A 836 -57.985 69.448 14.355 1.00 70.00 N ATOM 1406 CA ALA A 836 -59.307 68.997 14.771 1.00 12.21 C ATOM 1407 C ALA A 836 -59.793 69.774 15.990 1.00 34.32 C ATOM 1408 O ALA A 836 -60.947 70.201 16.047 1.00 44.45 O ATOM 1409 CB ALA A 836 -59.287 67.505 15.067 1.00 72.10 C ATOM 0 H ALA A 836 -57.262 68.730 14.397 1.00 70.00 H new ATOM 0 HA ALA A 836 -60.002 69.184 13.952 1.00 12.21 H new ATOM 0 HB1 ALA A 836 -60.281 67.182 15.377 1.00 72.10 H new ATOM 0 HB2 ALA A 836 -58.991 66.960 14.170 1.00 72.10 H new ATOM 0 HB3 ALA A 836 -58.574 67.302 15.866 1.00 72.10 H new ATOM 1415 N TYR A 837 -58.908 69.952 16.964 1.00 22.41 N ATOM 1416 CA TYR A 837 -59.248 70.674 18.184 1.00 11.00 C ATOM 1417 C TYR A 837 -59.741 72.082 17.864 1.00 61.11 C ATOM 1418 O TYR A 837 -60.884 72.433 18.157 1.00 2.21 O ATOM 1419 CB TYR A 837 -58.036 70.745 19.115 1.00 51.15 C ATOM 1420 CG TYR A 837 -58.360 71.279 20.491 1.00 13.34 C ATOM 1421 CD1 TYR A 837 -57.599 72.292 21.062 1.00 34.35 C ATOM 1422 CD2 TYR A 837 -59.429 70.772 21.221 1.00 63.12 C ATOM 1423 CE1 TYR A 837 -57.892 72.782 22.320 1.00 24.04 C ATOM 1424 CE2 TYR A 837 -59.729 71.257 22.479 1.00 52.21 C ATOM 1425 CZ TYR A 837 -58.958 72.262 23.024 1.00 25.25 C ATOM 1426 OH TYR A 837 -59.253 72.749 24.277 1.00 22.53 O ATOM 0 H TYR A 837 -57.949 69.606 16.932 1.00 22.41 H new ATOM 0 HA TYR A 837 -60.051 70.132 18.685 1.00 11.00 H new ATOM 0 HB2 TYR A 837 -57.605 69.749 19.213 1.00 51.15 H new ATOM 0 HB3 TYR A 837 -57.275 71.378 18.659 1.00 51.15 H new ATOM 0 HD1 TYR A 837 -56.765 72.703 20.513 1.00 34.35 H new ATOM 0 HD2 TYR A 837 -60.035 69.985 20.797 1.00 63.12 H new ATOM 0 HE1 TYR A 837 -57.289 73.568 22.750 1.00 24.04 H new ATOM 0 HE2 TYR A 837 -60.563 70.851 23.033 1.00 52.21 H new ATOM 0 HH TYR A 837 -60.033 72.277 24.636 1.00 22.53 H new ATOM 1436 N ARG A 838 -58.870 72.884 17.260 1.00 61.52 N ATOM 1437 CA ARG A 838 -59.215 74.253 16.900 1.00 43.54 C ATOM 1438 C ARG A 838 -60.469 74.288 16.032 1.00 53.13 C ATOM 1439 O ARG A 838 -61.356 75.116 16.238 1.00 33.33 O ATOM 1440 CB ARG A 838 -58.052 74.917 16.160 1.00 4.20 C ATOM 1441 CG ARG A 838 -57.732 76.317 16.659 1.00 22.21 C ATOM 1442 CD ARG A 838 -56.240 76.605 16.592 1.00 72.10 C ATOM 1443 NE ARG A 838 -55.594 76.453 17.893 1.00 53.10 N ATOM 1444 CZ ARG A 838 -55.778 77.291 18.907 1.00 14.11 C ATOM 1445 NH1 ARG A 838 -56.585 78.334 18.771 1.00 12.41 N ATOM 1446 NH2 ARG A 838 -55.155 77.086 20.060 1.00 32.04 N ATOM 0 H ARG A 838 -57.920 72.609 17.010 1.00 61.52 H new ATOM 0 HA ARG A 838 -59.415 74.804 17.819 1.00 43.54 H new ATOM 0 HB2 ARG A 838 -57.164 74.293 16.261 1.00 4.20 H new ATOM 0 HB3 ARG A 838 -58.289 74.965 15.097 1.00 4.20 H new ATOM 0 HG2 ARG A 838 -58.272 77.050 16.060 1.00 22.21 H new ATOM 0 HG3 ARG A 838 -58.079 76.426 17.686 1.00 22.21 H new ATOM 0 HD2 ARG A 838 -55.773 75.931 15.874 1.00 72.10 H new ATOM 0 HD3 ARG A 838 -56.083 77.619 16.226 1.00 72.10 H new ATOM 0 HE ARG A 838 -54.967 75.660 18.030 1.00 53.10 H new ATOM 0 HH11 ARG A 838 -57.066 78.494 17.886 1.00 12.41 H new ATOM 0 HH12 ARG A 838 -56.725 78.976 19.551 1.00 12.41 H new ATOM 0 HH21 ARG A 838 -54.534 76.284 20.169 1.00 32.04 H new ATOM 0 HH22 ARG A 838 -55.297 77.730 20.838 1.00 32.04 H new ATOM 1460 N ALA A 839 -60.535 73.384 15.060 1.00 74.10 N ATOM 1461 CA ALA A 839 -61.681 73.310 14.162 1.00 72.10 C ATOM 1462 C ALA A 839 -62.989 73.248 14.944 1.00 23.32 C ATOM 1463 O ALA A 839 -63.900 74.043 14.712 1.00 21.22 O ATOM 1464 CB ALA A 839 -61.555 72.103 13.244 1.00 52.21 C ATOM 0 H ALA A 839 -59.808 72.693 14.874 1.00 74.10 H new ATOM 0 HA ALA A 839 -61.694 74.215 13.555 1.00 72.10 H new ATOM 0 HB1 ALA A 839 -62.418 72.060 12.579 1.00 52.21 H new ATOM 0 HB2 ALA A 839 -60.644 72.190 12.652 1.00 52.21 H new ATOM 0 HB3 ALA A 839 -61.513 71.193 13.843 1.00 52.21 H new ATOM 1470 N ILE A 840 -63.074 72.299 15.870 1.00 31.32 N ATOM 1471 CA ILE A 840 -64.270 72.134 16.686 1.00 34.14 C ATOM 1472 C ILE A 840 -64.304 73.150 17.823 1.00 35.53 C ATOM 1473 O ILE A 840 -65.320 73.303 18.502 1.00 52.33 O ATOM 1474 CB ILE A 840 -64.357 70.715 17.278 1.00 31.42 C ATOM 1475 CG1 ILE A 840 -65.737 70.479 17.896 1.00 51.43 C ATOM 1476 CG2 ILE A 840 -63.264 70.506 18.316 1.00 70.35 C ATOM 1477 CD1 ILE A 840 -65.980 69.043 18.304 1.00 43.22 C ATOM 0 H ILE A 840 -62.329 71.633 16.074 1.00 31.32 H new ATOM 0 HA ILE A 840 -65.125 72.298 16.030 1.00 34.14 H new ATOM 0 HB ILE A 840 -64.211 69.993 16.474 1.00 31.42 H new ATOM 0 HG12 ILE A 840 -65.849 71.120 18.770 1.00 51.43 H new ATOM 0 HG13 ILE A 840 -66.503 70.779 17.180 1.00 51.43 H new ATOM 0 HG21 ILE A 840 -63.339 69.499 18.725 1.00 70.35 H new ATOM 0 HG22 ILE A 840 -62.288 70.636 17.848 1.00 70.35 H new ATOM 0 HG23 ILE A 840 -63.381 71.233 19.119 1.00 70.35 H new ATOM 0 HD11 ILE A 840 -66.977 68.951 18.734 1.00 43.22 H new ATOM 0 HD12 ILE A 840 -65.901 68.398 17.429 1.00 43.22 H new ATOM 0 HD13 ILE A 840 -65.237 68.744 19.044 1.00 43.22 H new ATOM 1489 N ARG A 841 -63.188 73.842 18.025 1.00 70.24 N ATOM 1490 CA ARG A 841 -63.090 74.844 19.079 1.00 60.10 C ATOM 1491 C ARG A 841 -63.826 76.121 18.685 1.00 3.40 C ATOM 1492 O ARG A 841 -64.549 76.707 19.491 1.00 11.50 O ATOM 1493 CB ARG A 841 -61.623 75.159 19.378 1.00 71.12 C ATOM 1494 CG ARG A 841 -61.432 76.141 20.522 1.00 21.43 C ATOM 1495 CD ARG A 841 -61.193 75.420 21.840 1.00 2.20 C ATOM 1496 NE ARG A 841 -61.521 76.259 22.990 1.00 75.33 N ATOM 1497 CZ ARG A 841 -60.737 77.232 23.437 1.00 2.54 C ATOM 1498 NH1 ARG A 841 -59.584 77.489 22.835 1.00 40.31 N ATOM 1499 NH2 ARG A 841 -61.105 77.952 24.490 1.00 50.24 N ATOM 0 H ARG A 841 -62.338 73.727 17.472 1.00 70.24 H new ATOM 0 HA ARG A 841 -63.557 74.438 19.976 1.00 60.10 H new ATOM 0 HB2 ARG A 841 -61.102 74.231 19.616 1.00 71.12 H new ATOM 0 HB3 ARG A 841 -61.157 75.565 18.480 1.00 71.12 H new ATOM 0 HG2 ARG A 841 -60.587 76.795 20.305 1.00 21.43 H new ATOM 0 HG3 ARG A 841 -62.313 76.777 20.608 1.00 21.43 H new ATOM 0 HD2 ARG A 841 -61.795 74.512 21.871 1.00 2.20 H new ATOM 0 HD3 ARG A 841 -60.149 75.113 21.901 1.00 2.20 H new ATOM 0 HE ARG A 841 -62.401 76.088 23.476 1.00 75.33 H new ATOM 0 HH11 ARG A 841 -59.297 76.938 22.026 1.00 40.31 H new ATOM 0 HH12 ARG A 841 -58.984 78.238 23.181 1.00 40.31 H new ATOM 0 HH21 ARG A 841 -61.991 77.758 24.956 1.00 50.24 H new ATOM 0 HH22 ARG A 841 -60.502 78.700 24.833 1.00 50.24 H new ATOM 1513 N HIS A 842 -63.635 76.548 17.440 1.00 33.05 N ATOM 1514 CA HIS A 842 -64.281 77.756 16.939 1.00 2.23 C ATOM 1515 C HIS A 842 -65.404 77.409 15.967 1.00 63.34 C ATOM 1516 O HIS A 842 -66.244 78.250 15.648 1.00 40.43 O ATOM 1517 CB HIS A 842 -63.256 78.660 16.252 1.00 34.52 C ATOM 1518 CG HIS A 842 -62.303 77.918 15.366 1.00 53.31 C ATOM 1519 ND1 HIS A 842 -60.935 78.081 15.429 1.00 55.22 N ATOM 1520 CD2 HIS A 842 -62.528 77.005 14.393 1.00 64.51 C ATOM 1521 CE1 HIS A 842 -60.360 77.301 14.532 1.00 63.04 C ATOM 1522 NE2 HIS A 842 -61.304 76.637 13.890 1.00 61.41 N ATOM 0 H HIS A 842 -63.039 76.076 16.761 1.00 33.05 H new ATOM 0 HA HIS A 842 -64.711 78.287 17.788 1.00 2.23 H new ATOM 0 HB2 HIS A 842 -63.783 79.408 15.660 1.00 34.52 H new ATOM 0 HB3 HIS A 842 -62.689 79.197 17.013 1.00 34.52 H new ATOM 0 HD1 HIS A 842 -60.444 78.706 16.068 1.00 55.22 H new ATOM 0 HD2 HIS A 842 -63.490 76.635 14.072 1.00 64.51 H new ATOM 0 HE1 HIS A 842 -59.298 77.220 14.354 1.00 63.04 H new ATOM 1630 N ARG A 848 -64.745 66.167 15.655 1.00 61.45 N ATOM 1631 CA ARG A 848 -63.811 65.515 16.565 1.00 41.11 C ATOM 1632 C ARG A 848 -64.037 64.006 16.587 1.00 4.13 C ATOM 1633 O ARG A 848 -63.115 63.236 16.853 1.00 65.53 O ATOM 1634 CB ARG A 848 -63.960 66.085 17.977 1.00 74.23 C ATOM 1635 CG ARG A 848 -65.305 65.781 18.617 1.00 53.53 C ATOM 1636 CD ARG A 848 -65.264 64.487 19.414 1.00 44.21 C ATOM 1637 NE ARG A 848 -66.205 64.501 20.530 1.00 54.21 N ATOM 1638 CZ ARG A 848 -66.061 65.269 21.604 1.00 24.02 C ATOM 1639 NH1 ARG A 848 -65.018 66.081 21.707 1.00 43.32 N ATOM 1640 NH2 ARG A 848 -66.960 65.226 22.578 1.00 34.44 N ATOM 0 HA ARG A 848 -62.800 65.708 16.208 1.00 41.11 H new ATOM 0 HB2 ARG A 848 -63.168 65.682 18.608 1.00 74.23 H new ATOM 0 HB3 ARG A 848 -63.820 67.165 17.940 1.00 74.23 H new ATOM 0 HG2 ARG A 848 -65.592 66.604 19.272 1.00 53.53 H new ATOM 0 HG3 ARG A 848 -66.069 65.709 17.843 1.00 53.53 H new ATOM 0 HD2 ARG A 848 -65.494 63.649 18.756 1.00 44.21 H new ATOM 0 HD3 ARG A 848 -64.255 64.327 19.793 1.00 44.21 H new ATOM 0 HE ARG A 848 -67.018 63.887 20.482 1.00 54.21 H new ATOM 0 HH11 ARG A 848 -64.324 66.117 20.960 1.00 43.32 H new ATOM 0 HH12 ARG A 848 -64.910 66.670 22.533 1.00 43.32 H new ATOM 0 HH21 ARG A 848 -67.764 64.602 22.503 1.00 34.44 H new ATOM 0 HH22 ARG A 848 -66.848 65.817 23.402 1.00 34.44 H new ATOM 1654 N GLN A 849 -65.268 63.593 16.307 1.00 15.05 N ATOM 1655 CA GLN A 849 -65.615 62.177 16.297 1.00 62.31 C ATOM 1656 C GLN A 849 -64.650 61.387 15.418 1.00 55.00 C ATOM 1657 O GLN A 849 -64.361 60.222 15.688 1.00 44.31 O ATOM 1658 CB GLN A 849 -67.049 61.984 15.801 1.00 11.45 C ATOM 1659 CG GLN A 849 -67.207 62.185 14.303 1.00 72.21 C ATOM 1660 CD GLN A 849 -68.658 62.171 13.862 1.00 4.50 C ATOM 1661 OE1 GLN A 849 -69.569 62.281 14.683 1.00 41.22 O ATOM 1662 NE2 GLN A 849 -68.880 62.037 12.560 1.00 65.22 N ATOM 0 H GLN A 849 -66.042 64.219 16.084 1.00 15.05 H new ATOM 0 HA GLN A 849 -65.538 61.803 17.318 1.00 62.31 H new ATOM 0 HB2 GLN A 849 -67.383 60.980 16.061 1.00 11.45 H new ATOM 0 HB3 GLN A 849 -67.702 62.682 16.324 1.00 11.45 H new ATOM 0 HG2 GLN A 849 -66.754 63.134 14.018 1.00 72.21 H new ATOM 0 HG3 GLN A 849 -66.663 61.401 13.776 1.00 72.21 H new ATOM 0 HE21 GLN A 849 -68.095 61.949 11.915 1.00 65.22 H new ATOM 0 HE22 GLN A 849 -69.836 62.022 12.205 1.00 65.22 H new ATOM 1671 N GLY A 850 -64.156 62.030 14.364 1.00 75.41 N ATOM 1672 CA GLY A 850 -63.230 61.372 13.461 1.00 74.41 C ATOM 1673 C GLY A 850 -61.930 60.991 14.140 1.00 2.22 C ATOM 1674 O GLY A 850 -61.524 59.829 14.114 1.00 21.53 O ATOM 0 H GLY A 850 -64.381 62.994 14.120 1.00 75.41 H new ATOM 0 HA2 GLY A 850 -63.699 60.477 13.053 1.00 74.41 H new ATOM 0 HA3 GLY A 850 -63.017 62.032 12.620 1.00 74.41 H new ATOM 1678 N LEU A 851 -61.273 61.973 14.749 1.00 71.43 N ATOM 1679 CA LEU A 851 -60.009 61.736 15.437 1.00 21.51 C ATOM 1680 C LEU A 851 -60.212 60.844 16.658 1.00 75.12 C ATOM 1681 O LEU A 851 -59.310 60.111 17.059 1.00 22.54 O ATOM 1682 CB LEU A 851 -59.379 63.064 15.861 1.00 73.33 C ATOM 1683 CG LEU A 851 -57.868 63.047 16.091 1.00 63.14 C ATOM 1684 CD1 LEU A 851 -57.305 64.459 16.042 1.00 65.34 C ATOM 1685 CD2 LEU A 851 -57.538 62.385 17.421 1.00 61.04 C ATOM 0 H LEU A 851 -61.595 62.940 14.780 1.00 71.43 H new ATOM 0 HA LEU A 851 -59.338 61.227 14.745 1.00 21.51 H new ATOM 0 HB2 LEU A 851 -59.602 63.809 15.097 1.00 73.33 H new ATOM 0 HB3 LEU A 851 -59.862 63.395 16.780 1.00 73.33 H new ATOM 0 HG LEU A 851 -57.405 62.465 15.294 1.00 63.14 H new ATOM 0 HD11 LEU A 851 -56.228 64.427 16.208 1.00 65.34 H new ATOM 0 HD12 LEU A 851 -57.509 64.898 15.066 1.00 65.34 H new ATOM 0 HD13 LEU A 851 -57.774 65.065 16.818 1.00 65.34 H new ATOM 0 HD21 LEU A 851 -56.458 62.382 17.568 1.00 61.04 H new ATOM 0 HD22 LEU A 851 -58.013 62.939 18.231 1.00 61.04 H new ATOM 0 HD23 LEU A 851 -57.907 61.359 17.418 1.00 61.04 H new ATOM 1697 N GLU A 852 -61.405 60.912 17.242 1.00 61.34 N ATOM 1698 CA GLU A 852 -61.727 60.109 18.416 1.00 45.02 C ATOM 1699 C GLU A 852 -62.041 58.669 18.021 1.00 62.12 C ATOM 1700 O GLU A 852 -61.829 57.740 18.800 1.00 24.13 O ATOM 1701 CB GLU A 852 -62.915 60.715 19.165 1.00 21.13 C ATOM 1702 CG GLU A 852 -63.499 59.796 20.225 1.00 24.12 C ATOM 1703 CD GLU A 852 -64.534 58.841 19.663 1.00 23.34 C ATOM 1704 OE1 GLU A 852 -64.326 57.614 19.768 1.00 70.43 O ATOM 1705 OE2 GLU A 852 -65.551 59.320 19.120 1.00 65.34 O ATOM 0 H GLU A 852 -62.163 61.514 16.921 1.00 61.34 H new ATOM 0 HA GLU A 852 -60.857 60.105 19.072 1.00 45.02 H new ATOM 0 HB2 GLU A 852 -62.600 61.646 19.637 1.00 21.13 H new ATOM 0 HB3 GLU A 852 -63.695 60.970 18.447 1.00 21.13 H new ATOM 0 HG2 GLU A 852 -62.695 59.223 20.687 1.00 24.12 H new ATOM 0 HG3 GLU A 852 -63.954 60.398 21.011 1.00 24.12 H new ATOM 1712 N ARG A 853 -62.548 58.492 16.805 1.00 14.34 N ATOM 1713 CA ARG A 853 -62.894 57.166 16.307 1.00 50.50 C ATOM 1714 C ARG A 853 -61.655 56.437 15.797 1.00 45.20 C ATOM 1715 O ARG A 853 -61.533 55.221 15.946 1.00 61.02 O ATOM 1716 CB ARG A 853 -63.932 57.273 15.189 1.00 52.45 C ATOM 1717 CG ARG A 853 -64.200 55.957 14.478 1.00 30.42 C ATOM 1718 CD ARG A 853 -64.663 54.883 15.451 1.00 54.33 C ATOM 1719 NE ARG A 853 -64.987 53.632 14.771 1.00 32.20 N ATOM 1720 CZ ARG A 853 -66.143 53.407 14.156 1.00 11.13 C ATOM 1721 NH1 ARG A 853 -67.080 54.345 14.136 1.00 71.03 N ATOM 1722 NH2 ARG A 853 -66.363 52.242 13.560 1.00 14.40 N ATOM 0 H ARG A 853 -62.728 59.250 16.147 1.00 14.34 H new ATOM 0 HA ARG A 853 -63.317 56.594 17.133 1.00 50.50 H new ATOM 0 HB2 ARG A 853 -64.867 57.647 15.607 1.00 52.45 H new ATOM 0 HB3 ARG A 853 -63.593 58.008 14.459 1.00 52.45 H new ATOM 0 HG2 ARG A 853 -64.959 56.105 13.710 1.00 30.42 H new ATOM 0 HG3 ARG A 853 -63.294 55.625 13.971 1.00 30.42 H new ATOM 0 HD2 ARG A 853 -63.882 54.702 16.190 1.00 54.33 H new ATOM 0 HD3 ARG A 853 -65.539 55.238 15.993 1.00 54.33 H new ATOM 0 HE ARG A 853 -64.287 52.890 14.768 1.00 32.20 H new ATOM 0 HH11 ARG A 853 -66.914 55.241 14.593 1.00 71.03 H new ATOM 0 HH12 ARG A 853 -67.967 54.170 13.663 1.00 71.03 H new ATOM 0 HH21 ARG A 853 -65.644 51.518 13.574 1.00 14.40 H new ATOM 0 HH22 ARG A 853 -67.251 52.070 13.088 1.00 14.40 H new ATOM 1736 N ILE A 854 -60.738 57.188 15.195 1.00 13.22 N ATOM 1737 CA ILE A 854 -59.509 56.613 14.664 1.00 3.31 C ATOM 1738 C ILE A 854 -58.393 56.646 15.703 1.00 0.10 C ATOM 1739 O ILE A 854 -57.219 56.467 15.376 1.00 72.25 O ATOM 1740 CB ILE A 854 -59.040 57.357 13.400 1.00 44.22 C ATOM 1741 CG1 ILE A 854 -58.525 58.751 13.763 1.00 2.45 C ATOM 1742 CG2 ILE A 854 -60.173 57.452 12.390 1.00 54.12 C ATOM 1743 CD1 ILE A 854 -58.092 59.567 12.565 1.00 12.34 C ATOM 0 H ILE A 854 -60.824 58.196 15.063 1.00 13.22 H new ATOM 0 HA ILE A 854 -59.731 55.578 14.405 1.00 3.31 H new ATOM 0 HB ILE A 854 -58.223 56.795 12.948 1.00 44.22 H new ATOM 0 HG12 ILE A 854 -59.307 59.291 14.296 1.00 2.45 H new ATOM 0 HG13 ILE A 854 -57.683 58.651 14.448 1.00 2.45 H new ATOM 0 HG21 ILE A 854 -59.826 57.981 11.502 1.00 54.12 H new ATOM 0 HG22 ILE A 854 -60.497 56.449 12.112 1.00 54.12 H new ATOM 0 HG23 ILE A 854 -61.009 57.994 12.831 1.00 54.12 H new ATOM 0 HD11 ILE A 854 -57.739 60.543 12.898 1.00 12.34 H new ATOM 0 HD12 ILE A 854 -57.288 59.049 12.043 1.00 12.34 H new ATOM 0 HD13 ILE A 854 -58.937 59.698 11.889 1.00 12.34 H new ATOM 1755 N LEU A 855 -58.767 56.874 16.957 1.00 4.42 N ATOM 1756 CA LEU A 855 -57.798 56.929 18.046 1.00 23.34 C ATOM 1757 C LEU A 855 -57.700 55.582 18.756 1.00 62.02 C ATOM 1758 O LEU A 855 -56.636 54.961 18.789 1.00 52.41 O ATOM 1759 CB LEU A 855 -58.186 58.018 19.047 1.00 15.23 C ATOM 1760 CG LEU A 855 -57.688 57.823 20.479 1.00 24.14 C ATOM 1761 CD1 LEU A 855 -56.176 57.659 20.500 1.00 2.24 C ATOM 1762 CD2 LEU A 855 -58.111 58.992 21.356 1.00 54.40 C ATOM 0 H LEU A 855 -59.734 57.024 17.245 1.00 4.42 H new ATOM 0 HA LEU A 855 -56.823 57.167 17.620 1.00 23.34 H new ATOM 0 HB2 LEU A 855 -57.809 58.972 18.679 1.00 15.23 H new ATOM 0 HB3 LEU A 855 -59.273 58.092 19.069 1.00 15.23 H new ATOM 0 HG LEU A 855 -58.138 56.914 20.879 1.00 24.14 H new ATOM 0 HD11 LEU A 855 -55.839 57.521 21.527 1.00 2.24 H new ATOM 0 HD12 LEU A 855 -55.896 56.789 19.907 1.00 2.24 H new ATOM 0 HD13 LEU A 855 -55.708 58.550 20.081 1.00 2.24 H new ATOM 0 HD21 LEU A 855 -57.747 58.835 22.372 1.00 54.40 H new ATOM 0 HD22 LEU A 855 -57.691 59.916 20.959 1.00 54.40 H new ATOM 0 HD23 LEU A 855 -59.199 59.064 21.367 1.00 54.40 H new