USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 565 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 768 TYR OH : rot 180:sc= 0 USER MOD Single : A 769 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 779 THR OG1 : rot -74:sc= 0.845 USER MOD Single : A 801 GLN : amide:sc= -0.63 K(o=-0.63,f=-2.9!) 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= -0.0746 K(o=-0.075,f=-1.2) USER MOD Single : A 808 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 809 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 810 SER OG : rot 180:sc= 0 USER MOD Single : A 813 ASN : amide:sc= -0.654 K(o=-0.65,f=-0.047) USER MOD Single : A 816 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 818 THR OG1 : rot 101:sc= 1.22 USER MOD Single : A 826 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 834 GLN : amide:sc= -4.04! C(o=-4!,f=-6.1!) USER MOD Single : A 837 TYR OH : rot 180:sc=0.000894 USER MOD Single : A 842 HIS : no HE2:sc= -0.184 X(o=-0.18,f=-0.64) USER MOD Single : A 849 GLN : amide:sc= -0.507 K(o=-0.51,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 261 N TYR A 768 8.442 18.433 -17.350 1.00 65.04 N ATOM 262 CA TYR A 768 8.571 19.283 -18.528 1.00 75.12 C ATOM 263 C TYR A 768 7.241 19.392 -19.268 1.00 70.04 C ATOM 264 O TYR A 768 6.694 20.484 -19.429 1.00 61.43 O ATOM 265 CB TYR A 768 9.646 18.732 -19.466 1.00 75.43 C ATOM 266 CG TYR A 768 10.340 19.797 -20.284 1.00 3.13 C ATOM 267 CD1 TYR A 768 9.615 20.662 -21.094 1.00 4.11 C ATOM 268 CD2 TYR A 768 11.722 19.939 -20.245 1.00 10.43 C ATOM 269 CE1 TYR A 768 10.246 21.636 -21.843 1.00 2.51 C ATOM 270 CE2 TYR A 768 12.361 20.912 -20.989 1.00 62.01 C ATOM 271 CZ TYR A 768 11.619 21.758 -21.787 1.00 21.40 C ATOM 272 OH TYR A 768 12.251 22.728 -22.530 1.00 61.14 O ATOM 0 HA TYR A 768 8.865 20.279 -18.196 1.00 75.12 H new ATOM 0 HB2 TYR A 768 10.390 18.196 -18.877 1.00 75.43 H new ATOM 0 HB3 TYR A 768 9.191 18.007 -20.141 1.00 75.43 H new ATOM 0 HD1 TYR A 768 8.540 20.571 -21.139 1.00 4.11 H new ATOM 0 HD2 TYR A 768 12.306 19.278 -19.623 1.00 10.43 H new ATOM 0 HE1 TYR A 768 9.667 22.299 -22.469 1.00 2.51 H new ATOM 0 HE2 TYR A 768 13.436 21.010 -20.946 1.00 62.01 H new ATOM 0 HH TYR A 768 13.218 22.680 -22.376 1.00 61.14 H new ATOM 282 N HIS A 769 6.726 18.252 -19.717 1.00 35.31 N ATOM 283 CA HIS A 769 5.459 18.217 -20.439 1.00 51.24 C ATOM 284 C HIS A 769 4.333 18.797 -19.589 1.00 55.34 C ATOM 285 O HIS A 769 3.495 19.552 -20.083 1.00 75.25 O ATOM 286 CB HIS A 769 5.119 16.783 -20.847 1.00 42.34 C ATOM 287 CG HIS A 769 5.931 16.281 -22.001 1.00 71.43 C ATOM 288 ND1 HIS A 769 5.370 15.855 -23.187 1.00 23.41 N ATOM 289 CD2 HIS A 769 7.269 16.139 -22.147 1.00 61.32 C ATOM 290 CE1 HIS A 769 6.328 15.471 -24.011 1.00 64.25 C ATOM 291 NE2 HIS A 769 7.490 15.634 -23.405 1.00 23.42 N ATOM 0 H HIS A 769 7.166 17.340 -19.594 1.00 35.31 H new ATOM 0 HA HIS A 769 5.564 18.827 -21.336 1.00 51.24 H new ATOM 0 HB2 HIS A 769 5.272 16.125 -19.992 1.00 42.34 H new ATOM 0 HB3 HIS A 769 4.062 16.729 -21.106 1.00 42.34 H new ATOM 0 HD2 HIS A 769 8.023 16.378 -21.411 1.00 61.32 H new ATOM 0 HE1 HIS A 769 6.185 15.089 -25.011 1.00 64.25 H new ATOM 0 HE2 HIS A 769 8.403 15.420 -23.806 1.00 23.42 H new ATOM 299 N ARG A 770 4.319 18.439 -18.310 1.00 10.34 N ATOM 300 CA ARG A 770 3.295 18.923 -17.392 1.00 35.32 C ATOM 301 C ARG A 770 3.380 20.438 -17.231 1.00 21.44 C ATOM 302 O ARG A 770 2.414 21.156 -17.491 1.00 42.12 O ATOM 303 CB ARG A 770 3.440 18.245 -16.028 1.00 63.12 C ATOM 304 CG ARG A 770 2.903 19.076 -14.875 1.00 35.45 C ATOM 305 CD ARG A 770 3.000 18.326 -13.555 1.00 64.21 C ATOM 306 NE ARG A 770 2.158 18.923 -12.522 1.00 42.34 N ATOM 307 CZ ARG A 770 2.506 19.996 -11.820 1.00 53.24 C ATOM 308 NH1 ARG A 770 3.672 20.586 -12.040 1.00 5.55 N ATOM 309 NH2 ARG A 770 1.685 20.481 -10.897 1.00 50.03 N ATOM 0 H ARG A 770 5.005 17.815 -17.885 1.00 10.34 H new ATOM 0 HA ARG A 770 2.320 18.674 -17.812 1.00 35.32 H new ATOM 0 HB2 ARG A 770 2.918 17.289 -16.050 1.00 63.12 H new ATOM 0 HB3 ARG A 770 4.493 18.029 -15.849 1.00 63.12 H new ATOM 0 HG2 ARG A 770 3.462 20.009 -14.806 1.00 35.45 H new ATOM 0 HG3 ARG A 770 1.864 19.341 -15.069 1.00 35.45 H new ATOM 0 HD2 ARG A 770 2.706 17.287 -13.706 1.00 64.21 H new ATOM 0 HD3 ARG A 770 4.037 18.318 -13.218 1.00 64.21 H new ATOM 0 HE ARG A 770 1.254 18.493 -12.329 1.00 42.34 H new ATOM 0 HH11 ARG A 770 4.305 20.217 -12.750 1.00 5.55 H new ATOM 0 HH12 ARG A 770 3.937 21.410 -11.500 1.00 5.55 H new ATOM 0 HH21 ARG A 770 0.786 20.030 -10.726 1.00 50.03 H new ATOM 0 HH22 ARG A 770 1.953 21.305 -10.358 1.00 50.03 H new ATOM 323 N LEU A 771 4.542 20.917 -16.799 1.00 74.41 N ATOM 324 CA LEU A 771 4.754 22.346 -16.602 1.00 50.43 C ATOM 325 C LEU A 771 4.341 23.134 -17.842 1.00 21.14 C ATOM 326 O LEU A 771 3.596 24.109 -17.750 1.00 13.34 O ATOM 327 CB LEU A 771 6.222 22.623 -16.274 1.00 10.55 C ATOM 328 CG LEU A 771 6.565 24.065 -15.895 1.00 74.13 C ATOM 329 CD1 LEU A 771 5.670 24.547 -14.764 1.00 21.12 C ATOM 330 CD2 LEU A 771 8.031 24.180 -15.504 1.00 72.44 C ATOM 0 H LEU A 771 5.351 20.336 -16.579 1.00 74.41 H new ATOM 0 HA LEU A 771 4.134 22.668 -15.766 1.00 50.43 H new ATOM 0 HB2 LEU A 771 6.519 21.972 -15.452 1.00 10.55 H new ATOM 0 HB3 LEU A 771 6.826 22.342 -17.137 1.00 10.55 H new ATOM 0 HG LEU A 771 6.391 24.700 -16.764 1.00 74.13 H new ATOM 0 HD11 LEU A 771 5.929 25.574 -14.508 1.00 21.12 H new ATOM 0 HD12 LEU A 771 4.628 24.503 -15.081 1.00 21.12 H new ATOM 0 HD13 LEU A 771 5.811 23.909 -13.891 1.00 21.12 H new ATOM 0 HD21 LEU A 771 8.257 25.213 -15.238 1.00 72.44 H new ATOM 0 HD22 LEU A 771 8.232 23.533 -14.650 1.00 72.44 H new ATOM 0 HD23 LEU A 771 8.656 23.877 -16.344 1.00 72.44 H new ATOM 342 N ARG A 772 4.829 22.702 -19.000 1.00 40.51 N ATOM 343 CA ARG A 772 4.510 23.367 -20.258 1.00 71.52 C ATOM 344 C ARG A 772 3.035 23.190 -20.607 1.00 40.04 C ATOM 345 O ARG A 772 2.442 24.031 -21.284 1.00 30.34 O ATOM 346 CB ARG A 772 5.382 22.813 -21.387 1.00 10.51 C ATOM 347 CG ARG A 772 5.564 23.780 -22.546 1.00 14.13 C ATOM 348 CD ARG A 772 6.331 25.022 -22.120 1.00 51.11 C ATOM 349 NE ARG A 772 6.937 25.708 -23.258 1.00 64.41 N ATOM 350 CZ ARG A 772 7.374 26.961 -23.213 1.00 50.34 C ATOM 351 NH1 ARG A 772 7.272 27.663 -22.093 1.00 22.32 N ATOM 352 NH2 ARG A 772 7.914 27.516 -24.291 1.00 23.10 N ATOM 0 H ARG A 772 5.446 21.895 -19.093 1.00 40.51 H new ATOM 0 HA ARG A 772 4.713 24.431 -20.140 1.00 71.52 H new ATOM 0 HB2 ARG A 772 6.361 22.553 -20.984 1.00 10.51 H new ATOM 0 HB3 ARG A 772 4.936 21.891 -21.760 1.00 10.51 H new ATOM 0 HG2 ARG A 772 6.097 23.282 -23.356 1.00 14.13 H new ATOM 0 HG3 ARG A 772 4.588 24.070 -22.936 1.00 14.13 H new ATOM 0 HD2 ARG A 772 5.657 25.704 -21.602 1.00 51.11 H new ATOM 0 HD3 ARG A 772 7.109 24.742 -21.409 1.00 51.11 H new ATOM 0 HE ARG A 772 7.030 25.196 -24.136 1.00 64.41 H new ATOM 0 HH11 ARG A 772 6.857 27.241 -21.262 1.00 22.32 H new ATOM 0 HH12 ARG A 772 7.609 28.625 -22.062 1.00 22.32 H new ATOM 0 HH21 ARG A 772 7.994 26.980 -25.155 1.00 23.10 H new ATOM 0 HH22 ARG A 772 8.249 28.479 -24.255 1.00 23.10 H new ATOM 366 N ASP A 773 2.450 22.092 -20.142 1.00 72.13 N ATOM 367 CA ASP A 773 1.044 21.805 -20.405 1.00 23.13 C ATOM 368 C ASP A 773 0.142 22.788 -19.666 1.00 52.53 C ATOM 369 O ASP A 773 -0.705 23.446 -20.273 1.00 33.14 O ATOM 370 CB ASP A 773 0.708 20.372 -19.987 1.00 54.53 C ATOM 371 CG ASP A 773 0.763 19.402 -21.151 1.00 14.31 C ATOM 372 OD1 ASP A 773 0.096 18.349 -21.077 1.00 54.40 O ATOM 373 OD2 ASP A 773 1.473 19.695 -22.135 1.00 45.53 O ATOM 0 H ASP A 773 2.927 21.386 -19.581 1.00 72.13 H new ATOM 0 HA ASP A 773 0.870 21.914 -21.475 1.00 23.13 H new ATOM 0 HB2 ASP A 773 1.406 20.049 -19.215 1.00 54.53 H new ATOM 0 HB3 ASP A 773 -0.288 20.349 -19.546 1.00 54.53 H new ATOM 378 N LEU A 774 0.328 22.884 -18.354 1.00 72.24 N ATOM 379 CA LEU A 774 -0.470 23.787 -17.532 1.00 72.41 C ATOM 380 C LEU A 774 -0.215 25.241 -17.915 1.00 23.12 C ATOM 381 O LEU A 774 -1.148 26.036 -18.036 1.00 31.54 O ATOM 382 CB LEU A 774 -0.153 23.574 -16.051 1.00 21.21 C ATOM 383 CG LEU A 774 -0.873 22.409 -15.371 1.00 12.13 C ATOM 384 CD1 LEU A 774 -0.314 21.080 -15.855 1.00 13.14 C ATOM 385 CD2 LEU A 774 -0.756 22.520 -13.858 1.00 23.04 C ATOM 0 H LEU A 774 1.024 22.348 -17.837 1.00 72.24 H new ATOM 0 HA LEU A 774 -1.522 23.564 -17.708 1.00 72.41 H new ATOM 0 HB2 LEU A 774 0.921 23.421 -15.948 1.00 21.21 H new ATOM 0 HB3 LEU A 774 -0.397 24.490 -15.513 1.00 21.21 H new ATOM 0 HG LEU A 774 -1.929 22.454 -15.638 1.00 12.13 H new ATOM 0 HD11 LEU A 774 -0.839 20.263 -15.360 1.00 13.14 H new ATOM 0 HD12 LEU A 774 -0.451 20.999 -16.933 1.00 13.14 H new ATOM 0 HD13 LEU A 774 0.749 21.025 -15.619 1.00 13.14 H new ATOM 0 HD21 LEU A 774 -1.274 21.683 -13.391 1.00 23.04 H new ATOM 0 HD22 LEU A 774 0.296 22.501 -13.572 1.00 23.04 H new ATOM 0 HD23 LEU A 774 -1.206 23.456 -13.526 1.00 23.04 H new ATOM 397 N LEU A 775 1.055 25.582 -18.106 1.00 54.44 N ATOM 398 CA LEU A 775 1.434 26.941 -18.478 1.00 54.23 C ATOM 399 C LEU A 775 0.820 27.330 -19.819 1.00 71.05 C ATOM 400 O LEU A 775 0.284 28.428 -19.974 1.00 45.44 O ATOM 401 CB LEU A 775 2.957 27.067 -18.546 1.00 34.41 C ATOM 402 CG LEU A 775 3.528 28.461 -18.286 1.00 55.12 C ATOM 403 CD1 LEU A 775 3.033 29.444 -19.336 1.00 10.32 C ATOM 404 CD2 LEU A 775 3.156 28.938 -16.890 1.00 25.35 C ATOM 0 H LEU A 775 1.839 24.937 -18.010 1.00 54.44 H new ATOM 0 HA LEU A 775 1.053 27.619 -17.714 1.00 54.23 H new ATOM 0 HB2 LEU A 775 3.391 26.378 -17.822 1.00 34.41 H new ATOM 0 HB3 LEU A 775 3.285 26.740 -19.533 1.00 34.41 H new ATOM 0 HG LEU A 775 4.615 28.406 -18.352 1.00 55.12 H new ATOM 0 HD11 LEU A 775 3.449 30.431 -19.135 1.00 10.32 H new ATOM 0 HD12 LEU A 775 3.350 29.111 -20.324 1.00 10.32 H new ATOM 0 HD13 LEU A 775 1.945 29.496 -19.302 1.00 10.32 H new ATOM 0 HD21 LEU A 775 3.571 29.932 -16.723 1.00 25.35 H new ATOM 0 HD22 LEU A 775 2.071 28.977 -16.796 1.00 25.35 H new ATOM 0 HD23 LEU A 775 3.559 28.247 -16.150 1.00 25.35 H new ATOM 416 N LEU A 776 0.899 26.422 -20.786 1.00 22.12 N ATOM 417 CA LEU A 776 0.349 26.668 -22.114 1.00 44.33 C ATOM 418 C LEU A 776 -1.159 26.882 -22.048 1.00 54.51 C ATOM 419 O LEU A 776 -1.677 27.878 -22.554 1.00 55.42 O ATOM 420 CB LEU A 776 0.669 25.498 -23.046 1.00 24.35 C ATOM 421 CG LEU A 776 0.190 25.639 -24.491 1.00 1.14 C ATOM 422 CD1 LEU A 776 0.813 26.864 -25.142 1.00 54.20 C ATOM 423 CD2 LEU A 776 0.519 24.385 -25.287 1.00 32.53 C ATOM 0 H LEU A 776 1.339 25.508 -20.675 1.00 22.12 H new ATOM 0 HA LEU A 776 0.809 27.574 -22.508 1.00 44.33 H new ATOM 0 HB2 LEU A 776 1.749 25.352 -23.055 1.00 24.35 H new ATOM 0 HB3 LEU A 776 0.229 24.594 -22.625 1.00 24.35 H new ATOM 0 HG LEU A 776 -0.892 25.767 -24.484 1.00 1.14 H new ATOM 0 HD11 LEU A 776 0.461 26.948 -26.170 1.00 54.20 H new ATOM 0 HD12 LEU A 776 0.527 27.757 -24.586 1.00 54.20 H new ATOM 0 HD13 LEU A 776 1.899 26.766 -25.137 1.00 54.20 H new ATOM 0 HD21 LEU A 776 0.171 24.503 -26.313 1.00 32.53 H new ATOM 0 HD22 LEU A 776 1.597 24.226 -25.286 1.00 32.53 H new ATOM 0 HD23 LEU A 776 0.025 23.526 -24.833 1.00 32.53 H new ATOM 435 N ILE A 777 -1.858 25.943 -21.420 1.00 10.13 N ATOM 436 CA ILE A 777 -3.307 26.031 -21.285 1.00 3.25 C ATOM 437 C ILE A 777 -3.721 27.359 -20.660 1.00 42.43 C ATOM 438 O ILE A 777 -4.512 28.108 -21.235 1.00 24.04 O ATOM 439 CB ILE A 777 -3.863 24.879 -20.428 1.00 73.40 C ATOM 440 CG1 ILE A 777 -3.524 23.530 -21.066 1.00 61.02 C ATOM 441 CG2 ILE A 777 -5.368 25.025 -20.256 1.00 3.55 C ATOM 442 CD1 ILE A 777 -3.402 22.402 -20.066 1.00 60.20 C ATOM 0 H ILE A 777 -1.445 25.112 -20.996 1.00 10.13 H new ATOM 0 HA ILE A 777 -3.723 25.959 -22.290 1.00 3.25 H new ATOM 0 HB ILE A 777 -3.398 24.922 -19.443 1.00 73.40 H new ATOM 0 HG12 ILE A 777 -4.295 23.278 -21.794 1.00 61.02 H new ATOM 0 HG13 ILE A 777 -2.586 23.622 -21.614 1.00 61.02 H new ATOM 0 HG21 ILE A 777 -5.746 24.203 -19.648 1.00 3.55 H new ATOM 0 HG22 ILE A 777 -5.588 25.972 -19.763 1.00 3.55 H new ATOM 0 HG23 ILE A 777 -5.850 25.004 -21.234 1.00 3.55 H new ATOM 0 HD11 ILE A 777 -3.161 21.477 -20.589 1.00 60.20 H new ATOM 0 HD12 ILE A 777 -2.611 22.632 -19.352 1.00 60.20 H new ATOM 0 HD13 ILE A 777 -4.346 22.283 -19.535 1.00 60.20 H new ATOM 454 N VAL A 778 -3.180 27.647 -19.481 1.00 24.14 N ATOM 455 CA VAL A 778 -3.490 28.887 -18.779 1.00 32.42 C ATOM 456 C VAL A 778 -3.267 30.098 -19.678 1.00 30.44 C ATOM 457 O VAL A 778 -4.180 30.891 -19.908 1.00 73.15 O ATOM 458 CB VAL A 778 -2.636 29.041 -17.507 1.00 24.43 C ATOM 459 CG1 VAL A 778 -2.951 30.354 -16.807 1.00 60.11 C ATOM 460 CG2 VAL A 778 -2.857 27.862 -16.571 1.00 23.11 C ATOM 0 H VAL A 778 -2.524 27.038 -18.991 1.00 24.14 H new ATOM 0 HA VAL A 778 -4.542 28.836 -18.497 1.00 32.42 H new ATOM 0 HB VAL A 778 -1.585 29.054 -17.796 1.00 24.43 H new ATOM 0 HG11 VAL A 778 -2.338 30.445 -15.910 1.00 60.11 H new ATOM 0 HG12 VAL A 778 -2.737 31.185 -17.479 1.00 60.11 H new ATOM 0 HG13 VAL A 778 -4.005 30.375 -16.529 1.00 60.11 H new ATOM 0 HG21 VAL A 778 -2.246 27.987 -15.677 1.00 23.11 H new ATOM 0 HG22 VAL A 778 -3.908 27.814 -16.288 1.00 23.11 H new ATOM 0 HG23 VAL A 778 -2.575 26.938 -17.077 1.00 23.11 H new ATOM 470 N THR A 779 -2.045 30.235 -20.184 1.00 74.10 N ATOM 471 CA THR A 779 -1.701 31.350 -21.057 1.00 60.44 C ATOM 472 C THR A 779 -2.662 31.441 -22.237 1.00 62.23 C ATOM 473 O THR A 779 -3.068 32.532 -22.636 1.00 43.45 O ATOM 474 CB THR A 779 -0.262 31.221 -21.591 1.00 4.42 C ATOM 475 OG1 THR A 779 -0.042 29.899 -22.094 1.00 24.12 O ATOM 476 CG2 THR A 779 0.750 31.528 -20.497 1.00 41.21 C ATOM 0 H THR A 779 -1.278 29.588 -20.004 1.00 74.10 H new ATOM 0 HA THR A 779 -1.779 32.257 -20.457 1.00 60.44 H new ATOM 0 HB THR A 779 -0.132 31.942 -22.398 1.00 4.42 H new ATOM 0 HG1 THR A 779 0.044 29.274 -21.344 1.00 24.12 H new ATOM 0 HG21 THR A 779 1.759 31.431 -20.897 1.00 41.21 H new ATOM 0 HG22 THR A 779 0.599 32.546 -20.137 1.00 41.21 H new ATOM 0 HG23 THR A 779 0.618 30.828 -19.672 1.00 41.21 H new ATOM 484 N ARG A 780 -3.023 30.288 -22.791 1.00 64.12 N ATOM 485 CA ARG A 780 -3.936 30.238 -23.926 1.00 50.44 C ATOM 486 C ARG A 780 -5.278 30.874 -23.573 1.00 24.31 C ATOM 487 O ARG A 780 -5.782 31.728 -24.302 1.00 40.20 O ATOM 488 CB ARG A 780 -4.148 28.791 -24.375 1.00 45.34 C ATOM 489 CG ARG A 780 -3.456 28.453 -25.686 1.00 22.02 C ATOM 490 CD ARG A 780 -4.046 29.238 -26.846 1.00 53.34 C ATOM 491 NE ARG A 780 -3.665 28.675 -28.139 1.00 2.22 N ATOM 492 CZ ARG A 780 -3.752 29.341 -29.285 1.00 72.41 C ATOM 493 NH1 ARG A 780 -4.205 30.587 -29.299 1.00 74.42 N ATOM 494 NH2 ARG A 780 -3.386 28.760 -30.420 1.00 65.14 N ATOM 0 H ARG A 780 -2.697 29.376 -22.472 1.00 64.12 H new ATOM 0 HA ARG A 780 -3.489 30.803 -24.744 1.00 50.44 H new ATOM 0 HB2 ARG A 780 -3.782 28.121 -23.597 1.00 45.34 H new ATOM 0 HB3 ARG A 780 -5.217 28.605 -24.479 1.00 45.34 H new ATOM 0 HG2 ARG A 780 -2.391 28.670 -25.603 1.00 22.02 H new ATOM 0 HG3 ARG A 780 -3.549 27.385 -25.883 1.00 22.02 H new ATOM 0 HD2 ARG A 780 -5.133 29.248 -26.761 1.00 53.34 H new ATOM 0 HD3 ARG A 780 -3.712 30.274 -26.789 1.00 53.34 H new ATOM 0 HE ARG A 780 -3.313 27.718 -28.163 1.00 2.22 H new ATOM 0 HH11 ARG A 780 -4.488 31.037 -28.428 1.00 74.42 H new ATOM 0 HH12 ARG A 780 -4.271 31.096 -30.181 1.00 74.42 H new ATOM 0 HH21 ARG A 780 -3.038 27.801 -30.413 1.00 65.14 H new ATOM 0 HH22 ARG A 780 -3.453 29.272 -31.300 1.00 65.14 H new ATOM 508 N ILE A 781 -5.849 30.450 -22.451 1.00 15.22 N ATOM 509 CA ILE A 781 -7.132 30.978 -22.001 1.00 45.20 C ATOM 510 C ILE A 781 -7.018 32.452 -21.628 1.00 15.32 C ATOM 511 O ILE A 781 -7.928 33.241 -21.885 1.00 73.35 O ATOM 512 CB ILE A 781 -7.670 30.193 -20.790 1.00 41.41 C ATOM 513 CG1 ILE A 781 -7.802 28.709 -21.135 1.00 33.40 C ATOM 514 CG2 ILE A 781 -9.009 30.761 -20.344 1.00 73.34 C ATOM 515 CD1 ILE A 781 -8.106 27.835 -19.938 1.00 0.00 C ATOM 0 H ILE A 781 -5.444 29.743 -21.837 1.00 15.22 H new ATOM 0 HA ILE A 781 -7.828 30.869 -22.832 1.00 45.20 H new ATOM 0 HB ILE A 781 -6.963 30.293 -19.967 1.00 41.41 H new ATOM 0 HG12 ILE A 781 -8.593 28.585 -21.875 1.00 33.40 H new ATOM 0 HG13 ILE A 781 -6.876 28.368 -21.598 1.00 33.40 H new ATOM 0 HG21 ILE A 781 -9.377 30.196 -19.487 1.00 73.34 H new ATOM 0 HG22 ILE A 781 -8.885 31.807 -20.063 1.00 73.34 H new ATOM 0 HG23 ILE A 781 -9.726 30.688 -21.162 1.00 73.34 H new ATOM 0 HD11 ILE A 781 -8.186 26.796 -20.257 1.00 0.00 H new ATOM 0 HD12 ILE A 781 -7.304 27.929 -19.206 1.00 0.00 H new ATOM 0 HD13 ILE A 781 -9.047 28.150 -19.487 1.00 0.00 H new ATOM 527 N VAL A 782 -5.894 32.819 -21.020 1.00 73.14 N ATOM 528 CA VAL A 782 -5.660 34.199 -20.614 1.00 11.40 C ATOM 529 C VAL A 782 -5.555 35.119 -21.826 1.00 24.44 C ATOM 530 O VAL A 782 -6.027 36.254 -21.798 1.00 14.31 O ATOM 531 CB VAL A 782 -4.376 34.327 -19.773 1.00 63.24 C ATOM 532 CG1 VAL A 782 -4.134 35.777 -19.384 1.00 1.10 C ATOM 533 CG2 VAL A 782 -4.457 33.441 -18.539 1.00 53.22 C ATOM 0 H VAL A 782 -5.131 32.179 -20.798 1.00 73.14 H new ATOM 0 HA VAL A 782 -6.514 34.499 -20.007 1.00 11.40 H new ATOM 0 HB VAL A 782 -3.532 33.993 -20.377 1.00 63.24 H new ATOM 0 HG11 VAL A 782 -3.223 35.847 -18.790 1.00 1.10 H new ATOM 0 HG12 VAL A 782 -4.028 36.382 -20.284 1.00 1.10 H new ATOM 0 HG13 VAL A 782 -4.978 36.142 -18.798 1.00 1.10 H new ATOM 0 HG21 VAL A 782 -3.541 33.544 -17.956 1.00 53.22 H new ATOM 0 HG22 VAL A 782 -5.310 33.742 -17.931 1.00 53.22 H new ATOM 0 HG23 VAL A 782 -4.578 32.402 -18.845 1.00 53.22 H new ATOM 543 N GLU A 783 -4.932 34.619 -22.888 1.00 63.24 N ATOM 544 CA GLU A 783 -4.764 35.396 -24.111 1.00 11.45 C ATOM 545 C GLU A 783 -6.081 35.498 -24.876 1.00 24.43 C ATOM 546 O GLU A 783 -6.469 36.576 -25.326 1.00 44.33 O ATOM 547 CB GLU A 783 -3.692 34.765 -25.000 1.00 63.44 C ATOM 548 CG GLU A 783 -3.048 35.744 -25.967 1.00 10.40 C ATOM 549 CD GLU A 783 -3.865 35.941 -27.229 1.00 71.32 C ATOM 550 OE1 GLU A 783 -4.334 34.932 -27.796 1.00 34.33 O ATOM 551 OE2 GLU A 783 -4.035 37.104 -27.650 1.00 53.21 O ATOM 0 H GLU A 783 -4.535 33.680 -22.927 1.00 63.24 H new ATOM 0 HA GLU A 783 -4.447 36.401 -23.832 1.00 11.45 H new ATOM 0 HB2 GLU A 783 -2.918 34.330 -24.368 1.00 63.44 H new ATOM 0 HB3 GLU A 783 -4.137 33.948 -25.567 1.00 63.44 H new ATOM 0 HG2 GLU A 783 -2.916 36.705 -25.471 1.00 10.40 H new ATOM 0 HG3 GLU A 783 -2.054 35.384 -26.234 1.00 10.40 H new ATOM 850 N LEU A 800 -19.468 49.319 -10.138 1.00 42.31 N ATOM 851 CA LEU A 800 -18.808 50.156 -9.142 1.00 13.05 C ATOM 852 C LEU A 800 -19.546 51.480 -8.967 1.00 72.43 C ATOM 853 O LEU A 800 -20.003 51.806 -7.872 1.00 53.14 O ATOM 854 CB LEU A 800 -17.357 50.418 -9.547 1.00 23.12 C ATOM 855 CG LEU A 800 -16.508 51.193 -8.538 1.00 65.54 C ATOM 856 CD1 LEU A 800 -16.533 50.507 -7.181 1.00 50.10 C ATOM 857 CD2 LEU A 800 -15.078 51.332 -9.041 1.00 1.03 C ATOM 0 HA LEU A 800 -18.823 49.624 -8.191 1.00 13.05 H new ATOM 0 HB2 LEU A 800 -16.875 49.459 -9.737 1.00 23.12 H new ATOM 0 HB3 LEU A 800 -17.357 50.967 -10.489 1.00 23.12 H new ATOM 0 HG LEU A 800 -16.932 52.191 -8.425 1.00 65.54 H new ATOM 0 HD11 LEU A 800 -15.924 51.073 -6.476 1.00 50.10 H new ATOM 0 HD12 LEU A 800 -17.559 50.459 -6.816 1.00 50.10 H new ATOM 0 HD13 LEU A 800 -16.134 49.497 -7.276 1.00 50.10 H new ATOM 0 HD21 LEU A 800 -14.488 51.886 -8.311 1.00 1.03 H new ATOM 0 HD22 LEU A 800 -14.644 50.342 -9.182 1.00 1.03 H new ATOM 0 HD23 LEU A 800 -15.077 51.868 -9.990 1.00 1.03 H new ATOM 869 N GLN A 801 -19.660 52.235 -10.055 1.00 3.54 N ATOM 870 CA GLN A 801 -20.344 53.523 -10.021 1.00 62.34 C ATOM 871 C GLN A 801 -21.820 53.346 -9.682 1.00 10.14 C ATOM 872 O GLN A 801 -22.422 54.196 -9.025 1.00 53.25 O ATOM 873 CB GLN A 801 -20.200 54.235 -11.367 1.00 43.52 C ATOM 874 CG GLN A 801 -18.765 54.601 -11.712 1.00 1.04 C ATOM 875 CD GLN A 801 -18.164 55.590 -10.733 1.00 3.23 C ATOM 876 OE1 GLN A 801 -18.848 56.093 -9.841 1.00 52.01 O ATOM 877 NE2 GLN A 801 -16.877 55.875 -10.894 1.00 2.12 N ATOM 0 H GLN A 801 -19.288 51.978 -10.969 1.00 3.54 H new ATOM 0 HA GLN A 801 -19.882 54.132 -9.244 1.00 62.34 H new ATOM 0 HB2 GLN A 801 -20.601 53.594 -12.152 1.00 43.52 H new ATOM 0 HB3 GLN A 801 -20.805 55.142 -11.355 1.00 43.52 H new ATOM 0 HG2 GLN A 801 -18.157 53.696 -11.728 1.00 1.04 H new ATOM 0 HG3 GLN A 801 -18.733 55.024 -12.716 1.00 1.04 H new ATOM 0 HE21 GLN A 801 -16.348 55.435 -11.647 1.00 2.12 H new ATOM 0 HE22 GLN A 801 -16.418 56.534 -10.265 1.00 2.12 H new ATOM 886 N TYR A 802 -22.397 52.238 -10.133 1.00 31.15 N ATOM 887 CA TYR A 802 -23.804 51.951 -9.879 1.00 1.14 C ATOM 888 C TYR A 802 -24.071 51.813 -8.383 1.00 5.12 C ATOM 889 O TYR A 802 -24.873 52.552 -7.814 1.00 15.35 O ATOM 890 CB TYR A 802 -24.224 50.671 -10.603 1.00 61.00 C ATOM 891 CG TYR A 802 -25.564 50.133 -10.155 1.00 12.52 C ATOM 892 CD1 TYR A 802 -26.640 50.986 -9.941 1.00 35.41 C ATOM 893 CD2 TYR A 802 -25.754 48.773 -9.946 1.00 73.12 C ATOM 894 CE1 TYR A 802 -27.866 50.499 -9.531 1.00 34.24 C ATOM 895 CE2 TYR A 802 -26.977 48.277 -9.537 1.00 53.03 C ATOM 896 CZ TYR A 802 -28.030 49.144 -9.330 1.00 61.14 C ATOM 897 OH TYR A 802 -29.250 48.655 -8.923 1.00 60.11 O ATOM 0 H TYR A 802 -21.912 51.524 -10.676 1.00 31.15 H new ATOM 0 HA TYR A 802 -24.393 52.786 -10.259 1.00 1.14 H new ATOM 0 HB2 TYR A 802 -24.260 50.865 -11.675 1.00 61.00 H new ATOM 0 HB3 TYR A 802 -23.463 49.907 -10.443 1.00 61.00 H new ATOM 0 HD1 TYR A 802 -26.516 52.047 -10.098 1.00 35.41 H new ATOM 0 HD2 TYR A 802 -24.932 48.092 -10.106 1.00 73.12 H new ATOM 0 HE1 TYR A 802 -28.692 51.176 -9.369 1.00 34.24 H new ATOM 0 HE2 TYR A 802 -27.108 47.216 -9.380 1.00 53.03 H new ATOM 0 HH TYR A 802 -29.197 47.681 -8.829 1.00 60.11 H new ATOM 907 N TRP A 803 -23.391 50.862 -7.753 1.00 64.11 N ATOM 908 CA TRP A 803 -23.553 50.626 -6.323 1.00 4.32 C ATOM 909 C TRP A 803 -23.198 51.874 -5.522 1.00 12.31 C ATOM 910 O TRP A 803 -23.951 52.293 -4.642 1.00 44.13 O ATOM 911 CB TRP A 803 -22.679 49.453 -5.876 1.00 44.21 C ATOM 912 CG TRP A 803 -23.017 48.165 -6.563 1.00 62.04 C ATOM 913 CD1 TRP A 803 -22.152 47.332 -7.215 1.00 34.04 C ATOM 914 CD2 TRP A 803 -24.312 47.564 -6.669 1.00 12.41 C ATOM 915 NE1 TRP A 803 -22.833 46.250 -7.719 1.00 25.43 N ATOM 916 CE2 TRP A 803 -24.159 46.368 -7.397 1.00 3.13 C ATOM 917 CE3 TRP A 803 -25.586 47.919 -6.218 1.00 12.42 C ATOM 918 CZ2 TRP A 803 -25.232 45.529 -7.683 1.00 62.51 C ATOM 919 CZ3 TRP A 803 -26.650 47.085 -6.503 1.00 53.22 C ATOM 920 CH2 TRP A 803 -26.468 45.901 -7.229 1.00 61.23 C ATOM 0 H TRP A 803 -22.722 50.242 -8.210 1.00 64.11 H new ATOM 0 HA TRP A 803 -24.599 50.382 -6.137 1.00 4.32 H new ATOM 0 HB2 TRP A 803 -21.633 49.695 -6.067 1.00 44.21 H new ATOM 0 HB3 TRP A 803 -22.784 49.321 -4.799 1.00 44.21 H new ATOM 0 HD1 TRP A 803 -21.090 47.499 -7.319 1.00 34.04 H new ATOM 0 HE1 TRP A 803 -22.418 45.483 -8.248 1.00 25.43 H new ATOM 0 HE3 TRP A 803 -25.736 48.829 -5.657 1.00 12.42 H new ATOM 0 HZ2 TRP A 803 -25.094 44.616 -8.244 1.00 62.51 H new ATOM 0 HZ3 TRP A 803 -27.639 47.351 -6.160 1.00 53.22 H new ATOM 0 HH2 TRP A 803 -27.320 45.270 -7.434 1.00 61.23 H new ATOM 931 N SER A 804 -22.048 52.465 -5.832 1.00 33.50 N ATOM 932 CA SER A 804 -21.593 53.663 -5.138 1.00 1.41 C ATOM 933 C SER A 804 -22.679 54.734 -5.134 1.00 14.45 C ATOM 934 O SER A 804 -23.151 55.149 -4.076 1.00 14.55 O ATOM 935 CB SER A 804 -20.325 54.210 -5.797 1.00 71.45 C ATOM 936 OG SER A 804 -19.642 55.099 -4.931 1.00 71.00 O ATOM 0 H SER A 804 -21.415 52.133 -6.559 1.00 33.50 H new ATOM 0 HA SER A 804 -21.370 53.392 -4.106 1.00 1.41 H new ATOM 0 HB2 SER A 804 -19.667 53.384 -6.068 1.00 71.45 H new ATOM 0 HB3 SER A 804 -20.586 54.726 -6.721 1.00 71.45 H new ATOM 0 HG SER A 804 -18.835 55.433 -5.375 1.00 71.00 H new ATOM 942 N GLN A 805 -23.070 55.176 -6.324 1.00 55.54 N ATOM 943 CA GLN A 805 -24.101 56.200 -6.458 1.00 63.42 C ATOM 944 C GLN A 805 -25.423 55.721 -5.869 1.00 75.53 C ATOM 945 O GLN A 805 -26.202 56.514 -5.342 1.00 50.32 O ATOM 946 CB GLN A 805 -24.290 56.574 -7.929 1.00 65.24 C ATOM 947 CG GLN A 805 -23.230 57.529 -8.455 1.00 32.00 C ATOM 948 CD GLN A 805 -23.344 58.915 -7.852 1.00 43.31 C ATOM 949 OE1 GLN A 805 -24.372 59.272 -7.276 1.00 40.23 O ATOM 950 NE2 GLN A 805 -22.285 59.706 -7.981 1.00 65.31 N ATOM 0 H GLN A 805 -22.689 54.842 -7.209 1.00 55.54 H new ATOM 0 HA GLN A 805 -23.776 57.082 -5.905 1.00 63.42 H new ATOM 0 HB2 GLN A 805 -24.279 55.665 -8.531 1.00 65.24 H new ATOM 0 HB3 GLN A 805 -25.272 57.029 -8.056 1.00 65.24 H new ATOM 0 HG2 GLN A 805 -22.242 57.123 -8.240 1.00 32.00 H new ATOM 0 HG3 GLN A 805 -23.316 57.600 -9.539 1.00 32.00 H new ATOM 0 HE21 GLN A 805 -21.453 59.370 -8.466 1.00 65.31 H new ATOM 0 HE22 GLN A 805 -22.303 60.650 -7.595 1.00 65.31 H new ATOM 959 N GLU A 806 -25.670 54.418 -5.964 1.00 33.35 N ATOM 960 CA GLU A 806 -26.900 53.834 -5.441 1.00 11.13 C ATOM 961 C GLU A 806 -26.989 54.017 -3.928 1.00 61.13 C ATOM 962 O GLU A 806 -28.014 54.455 -3.403 1.00 45.14 O ATOM 963 CB GLU A 806 -26.974 52.346 -5.791 1.00 10.51 C ATOM 964 CG GLU A 806 -28.061 51.597 -5.038 1.00 5.20 C ATOM 965 CD GLU A 806 -29.449 52.133 -5.330 1.00 44.32 C ATOM 966 OE1 GLU A 806 -29.612 52.827 -6.356 1.00 10.44 O ATOM 967 OE2 GLU A 806 -30.371 51.859 -4.534 1.00 43.51 O ATOM 0 H GLU A 806 -25.035 53.747 -6.398 1.00 33.35 H new ATOM 0 HA GLU A 806 -27.742 54.351 -5.902 1.00 11.13 H new ATOM 0 HB2 GLU A 806 -27.148 52.241 -6.862 1.00 10.51 H new ATOM 0 HB3 GLU A 806 -26.011 51.883 -5.578 1.00 10.51 H new ATOM 0 HG2 GLU A 806 -28.020 50.541 -5.304 1.00 5.20 H new ATOM 0 HG3 GLU A 806 -27.868 51.664 -3.967 1.00 5.20 H new ATOM 974 N LEU A 807 -25.909 53.678 -3.233 1.00 60.50 N ATOM 975 CA LEU A 807 -25.864 53.803 -1.780 1.00 44.13 C ATOM 976 C LEU A 807 -25.862 55.269 -1.360 1.00 41.53 C ATOM 977 O LEU A 807 -26.445 55.635 -0.340 1.00 13.13 O ATOM 978 CB LEU A 807 -24.623 53.101 -1.227 1.00 23.35 C ATOM 979 CG LEU A 807 -24.785 51.618 -0.890 1.00 63.12 C ATOM 980 CD1 LEU A 807 -25.837 51.428 0.191 1.00 74.22 C ATOM 981 CD2 LEU A 807 -25.148 50.825 -2.137 1.00 35.11 C ATOM 0 H LEU A 807 -25.053 53.315 -3.652 1.00 60.50 H new ATOM 0 HA LEU A 807 -26.756 53.328 -1.371 1.00 44.13 H new ATOM 0 HB2 LEU A 807 -23.818 53.202 -1.955 1.00 23.35 H new ATOM 0 HB3 LEU A 807 -24.305 53.625 -0.326 1.00 23.35 H new ATOM 0 HG LEU A 807 -23.834 51.245 -0.511 1.00 63.12 H new ATOM 0 HD11 LEU A 807 -25.938 50.367 0.417 1.00 74.22 H new ATOM 0 HD12 LEU A 807 -25.535 51.964 1.091 1.00 74.22 H new ATOM 0 HD13 LEU A 807 -26.793 51.817 -0.159 1.00 74.22 H new ATOM 0 HD21 LEU A 807 -25.259 49.772 -1.879 1.00 35.11 H new ATOM 0 HD22 LEU A 807 -26.086 51.200 -2.546 1.00 35.11 H new ATOM 0 HD23 LEU A 807 -24.359 50.935 -2.881 1.00 35.11 H new ATOM 993 N LYS A 808 -25.204 56.106 -2.155 1.00 42.43 N ATOM 994 CA LYS A 808 -25.128 57.534 -1.869 1.00 54.23 C ATOM 995 C LYS A 808 -26.490 58.198 -2.051 1.00 4.13 C ATOM 996 O LYS A 808 -27.026 58.799 -1.121 1.00 41.41 O ATOM 997 CB LYS A 808 -24.097 58.204 -2.780 1.00 70.12 C ATOM 998 CG LYS A 808 -24.087 59.719 -2.677 1.00 54.30 C ATOM 999 CD LYS A 808 -23.037 60.333 -3.587 1.00 51.53 C ATOM 1000 CE LYS A 808 -23.425 61.741 -4.015 1.00 65.21 C ATOM 1001 NZ LYS A 808 -22.389 62.360 -4.888 1.00 72.22 N ATOM 0 H LYS A 808 -24.715 55.820 -3.003 1.00 42.43 H new ATOM 0 HA LYS A 808 -24.819 57.655 -0.831 1.00 54.23 H new ATOM 0 HB2 LYS A 808 -23.105 57.825 -2.533 1.00 70.12 H new ATOM 0 HB3 LYS A 808 -24.298 57.920 -3.813 1.00 70.12 H new ATOM 0 HG2 LYS A 808 -25.070 60.109 -2.940 1.00 54.30 H new ATOM 0 HG3 LYS A 808 -23.893 60.013 -1.646 1.00 54.30 H new ATOM 0 HD2 LYS A 808 -22.077 60.360 -3.071 1.00 51.53 H new ATOM 0 HD3 LYS A 808 -22.907 59.706 -4.469 1.00 51.53 H new ATOM 0 HE2 LYS A 808 -24.376 61.710 -4.546 1.00 65.21 H new ATOM 0 HE3 LYS A 808 -23.573 62.361 -3.131 1.00 65.21 H new ATOM 0 HZ1 LYS A 808 -22.690 63.318 -5.158 1.00 72.22 H new ATOM 0 HZ2 LYS A 808 -21.487 62.413 -4.373 1.00 72.22 H new ATOM 0 HZ3 LYS A 808 -22.265 61.782 -5.744 1.00 72.22 H new ATOM 1015 N ASN A 809 -27.043 58.083 -3.253 1.00 54.45 N ATOM 1016 CA ASN A 809 -28.343 58.672 -3.556 1.00 0.01 C ATOM 1017 C ASN A 809 -29.410 58.158 -2.594 1.00 71.34 C ATOM 1018 O ASN A 809 -30.217 58.929 -2.076 1.00 2.42 O ATOM 1019 CB ASN A 809 -28.746 58.357 -4.998 1.00 45.31 C ATOM 1020 CG ASN A 809 -30.170 58.778 -5.306 1.00 22.44 C ATOM 1021 OD1 ASN A 809 -30.491 59.966 -5.311 1.00 44.21 O ATOM 1022 ND2 ASN A 809 -31.032 57.801 -5.563 1.00 51.23 N ATOM 0 H ASN A 809 -26.612 57.588 -4.034 1.00 54.45 H new ATOM 0 HA ASN A 809 -28.261 59.752 -3.437 1.00 0.01 H new ATOM 0 HB2 ASN A 809 -28.065 58.863 -5.682 1.00 45.31 H new ATOM 0 HB3 ASN A 809 -28.640 57.287 -5.176 1.00 45.31 H new ATOM 0 HD21 ASN A 809 -32.005 58.022 -5.776 1.00 51.23 H new ATOM 0 HD22 ASN A 809 -30.721 56.830 -5.548 1.00 51.23 H new ATOM 1029 N SER A 810 -29.407 56.849 -2.361 1.00 14.20 N ATOM 1030 CA SER A 810 -30.377 56.231 -1.464 1.00 61.34 C ATOM 1031 C SER A 810 -30.196 56.736 -0.036 1.00 42.13 C ATOM 1032 O SER A 810 -31.156 57.146 0.615 1.00 20.12 O ATOM 1033 CB SER A 810 -30.237 54.708 -1.500 1.00 60.40 C ATOM 1034 OG SER A 810 -30.942 54.106 -0.428 1.00 63.51 O ATOM 0 H SER A 810 -28.744 56.197 -2.780 1.00 14.20 H new ATOM 0 HA SER A 810 -31.376 56.506 -1.804 1.00 61.34 H new ATOM 0 HB2 SER A 810 -30.616 54.327 -2.448 1.00 60.40 H new ATOM 0 HB3 SER A 810 -29.183 54.435 -1.445 1.00 60.40 H new ATOM 0 HG SER A 810 -30.838 53.133 -0.474 1.00 63.51 H new ATOM 1040 N ALA A 811 -28.957 56.703 0.443 1.00 2.45 N ATOM 1041 CA ALA A 811 -28.648 57.160 1.793 1.00 60.40 C ATOM 1042 C ALA A 811 -29.205 58.557 2.041 1.00 15.12 C ATOM 1043 O ALA A 811 -29.930 58.784 3.010 1.00 10.41 O ATOM 1044 CB ALA A 811 -27.144 57.140 2.026 1.00 55.04 C ATOM 0 H ALA A 811 -28.151 56.365 -0.083 1.00 2.45 H new ATOM 0 HA ALA A 811 -29.123 56.478 2.498 1.00 60.40 H new ATOM 0 HB1 ALA A 811 -26.928 57.484 3.038 1.00 55.04 H new ATOM 0 HB2 ALA A 811 -26.770 56.124 1.900 1.00 55.04 H new ATOM 0 HB3 ALA A 811 -26.656 57.798 1.307 1.00 55.04 H new ATOM 1050 N VAL A 812 -28.862 59.491 1.160 1.00 54.21 N ATOM 1051 CA VAL A 812 -29.329 60.867 1.283 1.00 30.03 C ATOM 1052 C VAL A 812 -30.847 60.945 1.169 1.00 73.40 C ATOM 1053 O VAL A 812 -31.494 61.718 1.874 1.00 31.20 O ATOM 1054 CB VAL A 812 -28.697 61.772 0.209 1.00 14.43 C ATOM 1055 CG1 VAL A 812 -29.144 63.214 0.396 1.00 0.43 C ATOM 1056 CG2 VAL A 812 -27.180 61.666 0.248 1.00 14.15 C ATOM 0 H VAL A 812 -28.262 59.320 0.353 1.00 54.21 H new ATOM 0 HA VAL A 812 -29.024 61.218 2.269 1.00 30.03 H new ATOM 0 HB VAL A 812 -29.036 61.435 -0.771 1.00 14.43 H new ATOM 0 HG11 VAL A 812 -28.688 63.839 -0.372 1.00 0.43 H new ATOM 0 HG12 VAL A 812 -30.229 63.272 0.313 1.00 0.43 H new ATOM 0 HG13 VAL A 812 -28.836 63.566 1.381 1.00 0.43 H new ATOM 0 HG21 VAL A 812 -26.750 62.312 -0.518 1.00 14.15 H new ATOM 0 HG22 VAL A 812 -26.819 61.976 1.229 1.00 14.15 H new ATOM 0 HG23 VAL A 812 -26.882 60.634 0.061 1.00 14.15 H new ATOM 1066 N ASN A 813 -31.410 60.137 0.276 1.00 50.23 N ATOM 1067 CA ASN A 813 -32.853 60.114 0.069 1.00 55.24 C ATOM 1068 C ASN A 813 -33.574 59.603 1.313 1.00 45.32 C ATOM 1069 O ASN A 813 -34.682 60.040 1.626 1.00 41.34 O ATOM 1070 CB ASN A 813 -33.203 59.235 -1.134 1.00 12.11 C ATOM 1071 CG ASN A 813 -34.657 59.368 -1.544 1.00 33.45 C ATOM 1072 OD1 ASN A 813 -34.978 60.028 -2.532 1.00 4.01 O ATOM 1073 ND2 ASN A 813 -35.546 58.738 -0.783 1.00 3.50 N ATOM 0 H ASN A 813 -30.889 59.490 -0.315 1.00 50.23 H new ATOM 0 HA ASN A 813 -33.183 61.134 -0.127 1.00 55.24 H new ATOM 0 HB2 ASN A 813 -32.565 59.505 -1.976 1.00 12.11 H new ATOM 0 HB3 ASN A 813 -32.990 58.193 -0.894 1.00 12.11 H new ATOM 0 HD21 ASN A 813 -36.539 58.791 -1.009 1.00 3.50 H new ATOM 0 HD22 ASN A 813 -35.235 58.202 0.027 1.00 3.50 H new ATOM 1080 N LEU A 814 -32.936 58.676 2.019 1.00 14.23 N ATOM 1081 CA LEU A 814 -33.515 58.105 3.231 1.00 52.33 C ATOM 1082 C LEU A 814 -33.503 59.119 4.370 1.00 2.22 C ATOM 1083 O LEU A 814 -34.506 59.307 5.059 1.00 14.22 O ATOM 1084 CB LEU A 814 -32.747 56.848 3.643 1.00 53.21 C ATOM 1085 CG LEU A 814 -33.509 55.854 4.520 1.00 21.11 C ATOM 1086 CD1 LEU A 814 -34.615 55.179 3.725 1.00 74.24 C ATOM 1087 CD2 LEU A 814 -32.558 54.817 5.100 1.00 0.23 C ATOM 0 H LEU A 814 -32.019 58.304 1.774 1.00 14.23 H new ATOM 0 HA LEU A 814 -34.550 57.837 3.019 1.00 52.33 H new ATOM 0 HB2 LEU A 814 -32.424 56.331 2.739 1.00 53.21 H new ATOM 0 HB3 LEU A 814 -31.846 57.155 4.174 1.00 53.21 H new ATOM 0 HG LEU A 814 -33.965 56.402 5.345 1.00 21.11 H new ATOM 0 HD11 LEU A 814 -35.146 54.475 4.366 1.00 74.24 H new ATOM 0 HD12 LEU A 814 -35.312 55.933 3.358 1.00 74.24 H new ATOM 0 HD13 LEU A 814 -34.181 54.644 2.880 1.00 74.24 H new ATOM 0 HD21 LEU A 814 -33.117 54.118 5.721 1.00 0.23 H new ATOM 0 HD22 LEU A 814 -32.073 54.274 4.289 1.00 0.23 H new ATOM 0 HD23 LEU A 814 -31.801 55.316 5.706 1.00 0.23 H new ATOM 1099 N LEU A 815 -32.362 59.772 4.562 1.00 23.30 N ATOM 1100 CA LEU A 815 -32.219 60.769 5.617 1.00 42.21 C ATOM 1101 C LEU A 815 -33.131 61.965 5.363 1.00 71.02 C ATOM 1102 O LEU A 815 -33.665 62.560 6.298 1.00 51.25 O ATOM 1103 CB LEU A 815 -30.765 61.234 5.713 1.00 44.03 C ATOM 1104 CG LEU A 815 -30.398 62.468 4.887 1.00 74.32 C ATOM 1105 CD1 LEU A 815 -30.739 63.740 5.648 1.00 64.33 C ATOM 1106 CD2 LEU A 815 -28.922 62.443 4.518 1.00 53.43 C ATOM 0 H LEU A 815 -31.522 59.629 4.001 1.00 23.30 H new ATOM 0 HA LEU A 815 -32.510 60.307 6.561 1.00 42.21 H new ATOM 0 HB2 LEU A 815 -30.539 61.442 6.759 1.00 44.03 H new ATOM 0 HB3 LEU A 815 -30.120 60.411 5.405 1.00 44.03 H new ATOM 0 HG LEU A 815 -30.982 62.453 3.967 1.00 74.32 H new ATOM 0 HD11 LEU A 815 -30.471 64.608 5.045 1.00 64.33 H new ATOM 0 HD12 LEU A 815 -31.808 63.762 5.860 1.00 64.33 H new ATOM 0 HD13 LEU A 815 -30.183 63.764 6.585 1.00 64.33 H new ATOM 0 HD21 LEU A 815 -28.679 63.328 3.931 1.00 53.43 H new ATOM 0 HD22 LEU A 815 -28.320 62.434 5.427 1.00 53.43 H new ATOM 0 HD23 LEU A 815 -28.709 61.549 3.932 1.00 53.43 H new ATOM 1118 N ASN A 816 -33.306 62.309 4.091 1.00 13.41 N ATOM 1119 CA ASN A 816 -34.156 63.433 3.714 1.00 42.23 C ATOM 1120 C ASN A 816 -35.623 63.124 3.995 1.00 52.34 C ATOM 1121 O ASN A 816 -36.274 63.815 4.778 1.00 74.40 O ATOM 1122 CB ASN A 816 -33.968 63.767 2.232 1.00 24.34 C ATOM 1123 CG ASN A 816 -34.126 65.248 1.949 1.00 63.04 C ATOM 1124 OD1 ASN A 816 -33.362 66.072 2.451 1.00 43.53 O ATOM 1125 ND2 ASN A 816 -35.121 65.592 1.140 1.00 13.42 N ATOM 0 H ASN A 816 -32.871 61.826 3.305 1.00 13.41 H new ATOM 0 HA ASN A 816 -33.863 64.295 4.314 1.00 42.23 H new ATOM 0 HB2 ASN A 816 -32.978 63.442 1.912 1.00 24.34 H new ATOM 0 HB3 ASN A 816 -34.693 63.208 1.641 1.00 24.34 H new ATOM 0 HD21 ASN A 816 -35.277 66.574 0.912 1.00 13.42 H new ATOM 0 HD22 ASN A 816 -35.730 64.874 0.747 1.00 13.42 H new ATOM 1132 N ALA A 817 -36.137 62.082 3.350 1.00 63.23 N ATOM 1133 CA ALA A 817 -37.526 61.680 3.532 1.00 62.52 C ATOM 1134 C ALA A 817 -37.863 61.525 5.011 1.00 70.42 C ATOM 1135 O ALA A 817 -38.933 61.935 5.461 1.00 34.11 O ATOM 1136 CB ALA A 817 -37.801 60.382 2.787 1.00 74.22 C ATOM 0 H ALA A 817 -35.612 61.501 2.697 1.00 63.23 H new ATOM 0 HA ALA A 817 -38.163 62.464 3.122 1.00 62.52 H new ATOM 0 HB1 ALA A 817 -38.842 60.093 2.931 1.00 74.22 H new ATOM 0 HB2 ALA A 817 -37.608 60.525 1.724 1.00 74.22 H new ATOM 0 HB3 ALA A 817 -37.150 59.597 3.171 1.00 74.22 H new ATOM 1142 N THR A 818 -36.943 60.929 5.764 1.00 73.23 N ATOM 1143 CA THR A 818 -37.144 60.718 7.192 1.00 70.13 C ATOM 1144 C THR A 818 -37.232 62.045 7.936 1.00 34.05 C ATOM 1145 O THR A 818 -38.060 62.211 8.831 1.00 14.35 O ATOM 1146 CB THR A 818 -36.007 59.875 7.800 1.00 12.33 C ATOM 1147 OG1 THR A 818 -35.963 58.588 7.175 1.00 31.33 O ATOM 1148 CG2 THR A 818 -36.199 59.710 9.300 1.00 15.23 C ATOM 0 H THR A 818 -36.052 60.584 5.408 1.00 73.23 H new ATOM 0 HA THR A 818 -38.085 60.179 7.303 1.00 70.13 H new ATOM 0 HB THR A 818 -35.065 60.395 7.625 1.00 12.33 H new ATOM 0 HG1 THR A 818 -35.245 58.573 6.508 1.00 31.33 H new ATOM 0 HG21 THR A 818 -35.384 59.111 9.707 1.00 15.23 H new ATOM 0 HG22 THR A 818 -36.202 60.690 9.776 1.00 15.23 H new ATOM 0 HG23 THR A 818 -37.148 59.210 9.492 1.00 15.23 H new ATOM 1156 N ALA A 819 -36.374 62.987 7.561 1.00 51.54 N ATOM 1157 CA ALA A 819 -36.358 64.301 8.192 1.00 44.35 C ATOM 1158 C ALA A 819 -37.639 65.071 7.891 1.00 52.05 C ATOM 1159 O ALA A 819 -38.124 65.837 8.724 1.00 52.24 O ATOM 1160 CB ALA A 819 -35.143 65.093 7.730 1.00 52.30 C ATOM 0 H ALA A 819 -35.680 62.865 6.823 1.00 51.54 H new ATOM 0 HA ALA A 819 -36.297 64.158 9.271 1.00 44.35 H new ATOM 0 HB1 ALA A 819 -35.143 66.072 8.209 1.00 52.30 H new ATOM 0 HB2 ALA A 819 -34.234 64.556 8.002 1.00 52.30 H new ATOM 0 HB3 ALA A 819 -35.180 65.218 6.648 1.00 52.30 H new ATOM 1166 N ILE A 820 -38.182 64.863 6.696 1.00 60.22 N ATOM 1167 CA ILE A 820 -39.407 65.537 6.286 1.00 15.31 C ATOM 1168 C ILE A 820 -40.618 64.973 7.022 1.00 70.34 C ATOM 1169 O ILE A 820 -41.556 65.701 7.344 1.00 75.43 O ATOM 1170 CB ILE A 820 -39.639 65.412 4.769 1.00 44.25 C ATOM 1171 CG1 ILE A 820 -38.498 66.082 4.000 1.00 64.21 C ATOM 1172 CG2 ILE A 820 -40.976 66.027 4.384 1.00 10.00 C ATOM 1173 CD1 ILE A 820 -38.306 67.540 4.352 1.00 53.42 C ATOM 0 H ILE A 820 -37.792 64.233 5.995 1.00 60.22 H new ATOM 0 HA ILE A 820 -39.287 66.590 6.541 1.00 15.31 H new ATOM 0 HB ILE A 820 -39.659 64.354 4.506 1.00 44.25 H new ATOM 0 HG12 ILE A 820 -37.571 65.544 4.199 1.00 64.21 H new ATOM 0 HG13 ILE A 820 -38.693 65.997 2.931 1.00 64.21 H new ATOM 0 HG21 ILE A 820 -41.125 65.930 3.309 1.00 10.00 H new ATOM 0 HG22 ILE A 820 -41.779 65.510 4.909 1.00 10.00 H new ATOM 0 HG23 ILE A 820 -40.984 67.082 4.658 1.00 10.00 H new ATOM 0 HD11 ILE A 820 -37.481 67.949 3.769 1.00 53.42 H new ATOM 0 HD12 ILE A 820 -39.219 68.092 4.127 1.00 53.42 H new ATOM 0 HD13 ILE A 820 -38.080 67.631 5.414 1.00 53.42 H new ATOM 1185 N ALA A 821 -40.589 63.671 7.286 1.00 64.51 N ATOM 1186 CA ALA A 821 -41.681 63.008 7.987 1.00 15.51 C ATOM 1187 C ALA A 821 -41.535 63.158 9.498 1.00 62.44 C ATOM 1188 O ALA A 821 -42.519 63.104 10.235 1.00 22.54 O ATOM 1189 CB ALA A 821 -41.740 61.537 7.603 1.00 14.34 C ATOM 0 H ALA A 821 -39.820 63.054 7.025 1.00 64.51 H new ATOM 0 HA ALA A 821 -42.614 63.487 7.689 1.00 15.51 H new ATOM 0 HB1 ALA A 821 -42.560 61.055 8.134 1.00 14.34 H new ATOM 0 HB2 ALA A 821 -41.901 61.448 6.529 1.00 14.34 H new ATOM 0 HB3 ALA A 821 -40.801 61.053 7.870 1.00 14.34 H new ATOM 1195 N VAL A 822 -40.300 63.345 9.952 1.00 3.00 N ATOM 1196 CA VAL A 822 -40.024 63.502 11.375 1.00 13.41 C ATOM 1197 C VAL A 822 -40.167 64.958 11.805 1.00 41.12 C ATOM 1198 O VAL A 822 -40.457 65.248 12.965 1.00 73.11 O ATOM 1199 CB VAL A 822 -38.609 63.010 11.731 1.00 61.23 C ATOM 1200 CG1 VAL A 822 -37.587 64.113 11.502 1.00 25.42 C ATOM 1201 CG2 VAL A 822 -38.562 62.518 13.169 1.00 32.04 C ATOM 0 H VAL A 822 -39.474 63.391 9.355 1.00 3.00 H new ATOM 0 HA VAL A 822 -40.756 62.895 11.908 1.00 13.41 H new ATOM 0 HB VAL A 822 -38.359 62.174 11.077 1.00 61.23 H new ATOM 0 HG11 VAL A 822 -36.593 63.747 11.759 1.00 25.42 H new ATOM 0 HG12 VAL A 822 -37.604 64.413 10.454 1.00 25.42 H new ATOM 0 HG13 VAL A 822 -37.831 64.971 12.129 1.00 25.42 H new ATOM 0 HG21 VAL A 822 -37.555 62.174 13.403 1.00 32.04 H new ATOM 0 HG22 VAL A 822 -38.833 63.332 13.841 1.00 32.04 H new ATOM 0 HG23 VAL A 822 -39.265 61.694 13.295 1.00 32.04 H new ATOM 1211 N ALA A 823 -39.961 65.871 10.861 1.00 62.21 N ATOM 1212 CA ALA A 823 -40.069 67.297 11.141 1.00 41.10 C ATOM 1213 C ALA A 823 -41.528 67.736 11.200 1.00 31.14 C ATOM 1214 O ALA A 823 -41.861 68.728 11.848 1.00 20.55 O ATOM 1215 CB ALA A 823 -39.317 68.100 10.090 1.00 62.23 C ATOM 0 H ALA A 823 -39.718 65.648 9.896 1.00 62.21 H new ATOM 0 HA ALA A 823 -39.620 67.485 12.116 1.00 41.10 H new ATOM 0 HB1 ALA A 823 -39.406 69.163 10.312 1.00 62.23 H new ATOM 0 HB2 ALA A 823 -38.265 67.815 10.098 1.00 62.23 H new ATOM 0 HB3 ALA A 823 -39.740 67.898 9.106 1.00 62.23 H new ATOM 1243 N THR A 826 -45.233 66.800 15.181 1.00 72.41 N ATOM 1244 CA THR A 826 -46.232 67.569 15.912 1.00 40.34 C ATOM 1245 C THR A 826 -47.042 68.453 14.970 1.00 2.41 C ATOM 1246 O THR A 826 -48.121 68.928 15.324 1.00 52.11 O ATOM 1247 CB THR A 826 -45.580 68.452 16.993 1.00 74.12 C ATOM 1248 OG1 THR A 826 -46.590 69.032 17.826 1.00 54.02 O ATOM 1249 CG2 THR A 826 -44.743 69.553 16.360 1.00 14.42 C ATOM 0 HA THR A 826 -46.896 66.850 16.392 1.00 40.34 H new ATOM 0 HB THR A 826 -44.927 67.824 17.599 1.00 74.12 H new ATOM 0 HG1 THR A 826 -46.168 69.591 18.512 1.00 54.02 H new ATOM 0 HG21 THR A 826 -44.293 70.163 17.143 1.00 14.42 H new ATOM 0 HG22 THR A 826 -43.957 69.108 15.750 1.00 14.42 H new ATOM 0 HG23 THR A 826 -45.379 70.178 15.733 1.00 14.42 H new ATOM 1257 N ASP A 827 -46.515 68.670 13.770 1.00 3.11 N ATOM 1258 CA ASP A 827 -47.190 69.496 12.776 1.00 11.32 C ATOM 1259 C ASP A 827 -48.546 68.903 12.407 1.00 70.21 C ATOM 1260 O ASP A 827 -49.502 69.632 12.140 1.00 23.52 O ATOM 1261 CB ASP A 827 -46.323 69.637 11.524 1.00 21.13 C ATOM 1262 CG ASP A 827 -47.089 70.217 10.352 1.00 61.04 C ATOM 1263 OD1 ASP A 827 -46.885 71.409 10.041 1.00 52.51 O ATOM 1264 OD2 ASP A 827 -47.891 69.478 9.744 1.00 53.21 O ATOM 0 H ASP A 827 -45.622 68.285 13.462 1.00 3.11 H new ATOM 0 HA ASP A 827 -47.351 70.483 13.209 1.00 11.32 H new ATOM 0 HB2 ASP A 827 -45.468 70.276 11.747 1.00 21.13 H new ATOM 0 HB3 ASP A 827 -45.927 68.660 11.248 1.00 21.13 H new ATOM 1269 N ARG A 828 -48.621 67.576 12.392 1.00 33.05 N ATOM 1270 CA ARG A 828 -49.859 66.885 12.053 1.00 33.35 C ATOM 1271 C ARG A 828 -50.936 67.152 13.101 1.00 1.32 C ATOM 1272 O ARG A 828 -52.020 67.641 12.782 1.00 61.20 O ATOM 1273 CB ARG A 828 -49.612 65.380 11.934 1.00 22.20 C ATOM 1274 CG ARG A 828 -48.680 65.004 10.794 1.00 42.55 C ATOM 1275 CD ARG A 828 -49.426 64.914 9.471 1.00 3.14 C ATOM 1276 NE ARG A 828 -48.747 64.039 8.519 1.00 52.31 N ATOM 1277 CZ ARG A 828 -49.249 63.715 7.332 1.00 2.43 C ATOM 1278 NH1 ARG A 828 -50.427 64.192 6.954 1.00 2.13 N ATOM 1279 NH2 ARG A 828 -48.571 62.914 6.521 1.00 73.53 N ATOM 0 H ARG A 828 -47.839 66.958 12.611 1.00 33.05 H new ATOM 0 HA ARG A 828 -50.207 67.267 11.093 1.00 33.35 H new ATOM 0 HB2 ARG A 828 -49.192 65.014 12.871 1.00 22.20 H new ATOM 0 HB3 ARG A 828 -50.567 64.874 11.793 1.00 22.20 H new ATOM 0 HG2 ARG A 828 -47.884 65.744 10.714 1.00 42.55 H new ATOM 0 HG3 ARG A 828 -48.205 64.047 11.011 1.00 42.55 H new ATOM 0 HD2 ARG A 828 -50.435 64.543 9.648 1.00 3.14 H new ATOM 0 HD3 ARG A 828 -49.524 65.911 9.041 1.00 3.14 H new ATOM 0 HE ARG A 828 -47.838 63.656 8.779 1.00 52.31 H new ATOM 0 HH11 ARG A 828 -50.950 64.809 7.575 1.00 2.13 H new ATOM 0 HH12 ARG A 828 -50.810 63.942 6.042 1.00 2.13 H new ATOM 0 HH21 ARG A 828 -47.664 62.546 6.808 1.00 73.53 H new ATOM 0 HH22 ARG A 828 -48.957 62.666 5.610 1.00 73.53 H new ATOM 1293 N VAL A 829 -50.629 66.828 14.353 1.00 14.44 N ATOM 1294 CA VAL A 829 -51.570 67.034 15.448 1.00 2.14 C ATOM 1295 C VAL A 829 -52.000 68.494 15.537 1.00 44.13 C ATOM 1296 O VAL A 829 -53.183 68.795 15.696 1.00 30.31 O ATOM 1297 CB VAL A 829 -50.962 66.607 16.798 1.00 75.43 C ATOM 1298 CG1 VAL A 829 -51.980 66.770 17.917 1.00 64.41 C ATOM 1299 CG2 VAL A 829 -50.462 65.172 16.726 1.00 71.14 C ATOM 0 H VAL A 829 -49.737 66.422 14.634 1.00 14.44 H new ATOM 0 HA VAL A 829 -52.441 66.414 15.237 1.00 2.14 H new ATOM 0 HB VAL A 829 -50.112 67.254 17.015 1.00 75.43 H new ATOM 0 HG11 VAL A 829 -51.533 66.464 18.863 1.00 64.41 H new ATOM 0 HG12 VAL A 829 -52.286 67.814 17.981 1.00 64.41 H new ATOM 0 HG13 VAL A 829 -52.851 66.149 17.709 1.00 64.41 H new ATOM 0 HG21 VAL A 829 -50.036 64.887 17.688 1.00 71.14 H new ATOM 0 HG22 VAL A 829 -51.293 64.509 16.486 1.00 71.14 H new ATOM 0 HG23 VAL A 829 -49.698 65.091 15.952 1.00 71.14 H new ATOM 1309 N ILE A 830 -51.031 69.398 15.432 1.00 60.43 N ATOM 1310 CA ILE A 830 -51.310 70.827 15.498 1.00 24.21 C ATOM 1311 C ILE A 830 -52.158 71.277 14.314 1.00 35.11 C ATOM 1312 O ILE A 830 -53.155 71.978 14.484 1.00 50.41 O ATOM 1313 CB ILE A 830 -50.010 71.653 15.527 1.00 31.13 C ATOM 1314 CG1 ILE A 830 -49.157 71.260 16.735 1.00 31.21 C ATOM 1315 CG2 ILE A 830 -50.329 73.140 15.558 1.00 3.24 C ATOM 1316 CD1 ILE A 830 -47.692 71.603 16.578 1.00 73.13 C ATOM 0 H ILE A 830 -50.046 69.166 15.301 1.00 60.43 H new ATOM 0 HA ILE A 830 -51.861 70.999 16.423 1.00 24.21 H new ATOM 0 HB ILE A 830 -49.442 71.442 14.621 1.00 31.13 H new ATOM 0 HG12 ILE A 830 -49.546 71.760 17.622 1.00 31.21 H new ATOM 0 HG13 ILE A 830 -49.255 70.188 16.905 1.00 31.21 H new ATOM 0 HG21 ILE A 830 -49.401 73.711 15.578 1.00 3.24 H new ATOM 0 HG22 ILE A 830 -50.901 73.408 14.669 1.00 3.24 H new ATOM 0 HG23 ILE A 830 -50.915 73.368 16.449 1.00 3.24 H new ATOM 0 HD11 ILE A 830 -47.149 71.296 17.472 1.00 73.13 H new ATOM 0 HD12 ILE A 830 -47.287 71.082 15.710 1.00 73.13 H new ATOM 0 HD13 ILE A 830 -47.583 72.679 16.439 1.00 73.13 H new ATOM 1328 N GLU A 831 -51.757 70.867 13.115 1.00 61.30 N ATOM 1329 CA GLU A 831 -52.482 71.227 11.903 1.00 52.55 C ATOM 1330 C GLU A 831 -53.933 70.759 11.976 1.00 25.42 C ATOM 1331 O GLU A 831 -54.841 71.435 11.494 1.00 42.40 O ATOM 1332 CB GLU A 831 -51.800 70.621 10.674 1.00 35.03 C ATOM 1333 CG GLU A 831 -52.534 70.898 9.372 1.00 24.45 C ATOM 1334 CD GLU A 831 -51.815 70.327 8.165 1.00 22.14 C ATOM 1335 OE1 GLU A 831 -52.478 70.109 7.130 1.00 65.54 O ATOM 1336 OE2 GLU A 831 -50.591 70.098 8.256 1.00 4.44 O ATOM 0 H GLU A 831 -50.934 70.285 12.957 1.00 61.30 H new ATOM 0 HA GLU A 831 -52.473 72.313 11.816 1.00 52.55 H new ATOM 0 HB2 GLU A 831 -50.786 71.014 10.601 1.00 35.03 H new ATOM 0 HB3 GLU A 831 -51.714 69.543 10.811 1.00 35.03 H new ATOM 0 HG2 GLU A 831 -53.537 70.474 9.427 1.00 24.45 H new ATOM 0 HG3 GLU A 831 -52.649 71.975 9.246 1.00 24.45 H new ATOM 1343 N VAL A 832 -54.142 69.595 12.583 1.00 21.41 N ATOM 1344 CA VAL A 832 -55.481 69.034 12.721 1.00 1.30 C ATOM 1345 C VAL A 832 -56.270 69.758 13.806 1.00 54.22 C ATOM 1346 O VAL A 832 -57.316 70.351 13.537 1.00 33.21 O ATOM 1347 CB VAL A 832 -55.429 67.532 13.055 1.00 22.35 C ATOM 1348 CG1 VAL A 832 -56.834 66.973 13.224 1.00 65.04 C ATOM 1349 CG2 VAL A 832 -54.670 66.772 11.978 1.00 44.51 C ATOM 0 H VAL A 832 -53.401 69.022 12.987 1.00 21.41 H new ATOM 0 HA VAL A 832 -55.981 69.167 11.762 1.00 1.30 H new ATOM 0 HB VAL A 832 -54.898 67.406 13.998 1.00 22.35 H new ATOM 0 HG11 VAL A 832 -56.777 65.910 13.460 1.00 65.04 H new ATOM 0 HG12 VAL A 832 -57.339 67.498 14.035 1.00 65.04 H new ATOM 0 HG13 VAL A 832 -57.394 67.110 12.299 1.00 65.04 H new ATOM 0 HG21 VAL A 832 -54.643 65.712 12.231 1.00 44.51 H new ATOM 0 HG22 VAL A 832 -55.170 66.904 11.019 1.00 44.51 H new ATOM 0 HG23 VAL A 832 -53.652 67.155 11.912 1.00 44.51 H new ATOM 1359 N LEU A 833 -55.763 69.707 15.033 1.00 74.15 N ATOM 1360 CA LEU A 833 -56.421 70.359 16.160 1.00 22.30 C ATOM 1361 C LEU A 833 -56.729 71.818 15.841 1.00 0.22 C ATOM 1362 O LEU A 833 -57.774 72.340 16.229 1.00 4.33 O ATOM 1363 CB LEU A 833 -55.541 70.272 17.408 1.00 0.23 C ATOM 1364 CG LEU A 833 -56.272 70.329 18.750 1.00 11.41 C ATOM 1365 CD1 LEU A 833 -56.962 71.673 18.925 1.00 1.33 C ATOM 1366 CD2 LEU A 833 -57.279 69.193 18.858 1.00 45.12 C ATOM 0 H LEU A 833 -54.899 69.221 15.273 1.00 74.15 H new ATOM 0 HA LEU A 833 -57.362 69.842 16.349 1.00 22.30 H new ATOM 0 HB2 LEU A 833 -54.975 69.342 17.365 1.00 0.23 H new ATOM 0 HB3 LEU A 833 -54.818 71.087 17.376 1.00 0.23 H new ATOM 0 HG LEU A 833 -55.537 70.214 19.547 1.00 11.41 H new ATOM 0 HD11 LEU A 833 -57.477 71.695 19.885 1.00 1.33 H new ATOM 0 HD12 LEU A 833 -56.219 72.470 18.893 1.00 1.33 H new ATOM 0 HD13 LEU A 833 -57.685 71.818 18.122 1.00 1.33 H new ATOM 0 HD21 LEU A 833 -57.790 69.250 19.819 1.00 45.12 H new ATOM 0 HD22 LEU A 833 -58.010 69.277 18.054 1.00 45.12 H new ATOM 0 HD23 LEU A 833 -56.760 68.238 18.779 1.00 45.12 H new ATOM 1378 N GLN A 834 -55.814 72.469 15.131 1.00 43.32 N ATOM 1379 CA GLN A 834 -55.989 73.868 14.759 1.00 51.23 C ATOM 1380 C GLN A 834 -57.038 74.012 13.661 1.00 40.01 C ATOM 1381 O GLN A 834 -58.013 74.747 13.813 1.00 34.34 O ATOM 1382 CB GLN A 834 -54.660 74.464 14.292 1.00 40.31 C ATOM 1383 CG GLN A 834 -54.799 75.839 13.658 1.00 1.01 C ATOM 1384 CD GLN A 834 -55.339 76.875 14.624 1.00 0.11 C ATOM 1385 OE1 GLN A 834 -56.416 76.705 15.196 1.00 11.41 O ATOM 1386 NE2 GLN A 834 -54.592 77.957 14.811 1.00 23.43 N ATOM 0 H GLN A 834 -54.944 72.050 14.802 1.00 43.32 H new ATOM 0 HA GLN A 834 -56.333 74.411 15.639 1.00 51.23 H new ATOM 0 HB2 GLN A 834 -53.983 74.532 15.143 1.00 40.31 H new ATOM 0 HB3 GLN A 834 -54.200 73.786 13.573 1.00 40.31 H new ATOM 0 HG2 GLN A 834 -53.827 76.164 13.288 1.00 1.01 H new ATOM 0 HG3 GLN A 834 -55.462 75.772 12.795 1.00 1.01 H new ATOM 0 HE21 GLN A 834 -53.706 78.057 14.316 1.00 23.43 H new ATOM 0 HE22 GLN A 834 -54.904 78.688 15.450 1.00 23.43 H new ATOM 1395 N ALA A 835 -56.830 73.306 12.554 1.00 21.13 N ATOM 1396 CA ALA A 835 -57.758 73.354 11.432 1.00 73.13 C ATOM 1397 C ALA A 835 -59.186 73.072 11.887 1.00 21.24 C ATOM 1398 O ALA A 835 -60.123 73.760 11.485 1.00 73.11 O ATOM 1399 CB ALA A 835 -57.339 72.361 10.358 1.00 52.15 C ATOM 0 H ALA A 835 -56.027 72.694 12.411 1.00 21.13 H new ATOM 0 HA ALA A 835 -57.730 74.360 11.013 1.00 73.13 H new ATOM 0 HB1 ALA A 835 -58.041 72.407 9.526 1.00 52.15 H new ATOM 0 HB2 ALA A 835 -56.339 72.609 10.003 1.00 52.15 H new ATOM 0 HB3 ALA A 835 -57.337 71.354 10.775 1.00 52.15 H new ATOM 1405 N ALA A 836 -59.344 72.055 12.729 1.00 44.13 N ATOM 1406 CA ALA A 836 -60.657 71.683 13.240 1.00 41.21 C ATOM 1407 C ALA A 836 -61.192 72.741 14.199 1.00 33.11 C ATOM 1408 O ALA A 836 -62.310 73.232 14.036 1.00 24.12 O ATOM 1409 CB ALA A 836 -60.591 70.328 13.929 1.00 41.23 C ATOM 0 H ALA A 836 -58.578 71.474 13.071 1.00 44.13 H new ATOM 0 HA ALA A 836 -61.343 71.615 12.395 1.00 41.21 H new ATOM 0 HB1 ALA A 836 -61.579 70.063 14.306 1.00 41.23 H new ATOM 0 HB2 ALA A 836 -60.260 69.573 13.216 1.00 41.23 H new ATOM 0 HB3 ALA A 836 -59.887 70.376 14.760 1.00 41.23 H new ATOM 1415 N TYR A 837 -60.389 73.087 15.199 1.00 72.31 N ATOM 1416 CA TYR A 837 -60.784 74.084 16.186 1.00 0.24 C ATOM 1417 C TYR A 837 -61.252 75.368 15.507 1.00 33.53 C ATOM 1418 O TYR A 837 -62.343 75.867 15.784 1.00 3.44 O ATOM 1419 CB TYR A 837 -59.618 74.389 17.129 1.00 72.23 C ATOM 1420 CG TYR A 837 -59.959 75.391 18.209 1.00 65.32 C ATOM 1421 CD1 TYR A 837 -59.144 76.491 18.444 1.00 4.32 C ATOM 1422 CD2 TYR A 837 -61.094 75.236 18.994 1.00 0.53 C ATOM 1423 CE1 TYR A 837 -59.450 77.409 19.430 1.00 0.03 C ATOM 1424 CE2 TYR A 837 -61.409 76.150 19.982 1.00 60.14 C ATOM 1425 CZ TYR A 837 -60.584 77.234 20.196 1.00 41.31 C ATOM 1426 OH TYR A 837 -60.893 78.146 21.179 1.00 35.44 O ATOM 0 H TYR A 837 -59.461 72.692 15.347 1.00 72.31 H new ATOM 0 HA TYR A 837 -61.614 73.677 16.764 1.00 0.24 H new ATOM 0 HB2 TYR A 837 -59.288 73.461 17.597 1.00 72.23 H new ATOM 0 HB3 TYR A 837 -58.779 74.768 16.545 1.00 72.23 H new ATOM 0 HD1 TYR A 837 -58.256 76.631 17.846 1.00 4.32 H new ATOM 0 HD2 TYR A 837 -61.741 74.387 18.830 1.00 0.53 H new ATOM 0 HE1 TYR A 837 -58.805 78.259 19.600 1.00 0.03 H new ATOM 0 HE2 TYR A 837 -62.296 76.016 20.583 1.00 60.14 H new ATOM 0 HH TYR A 837 -61.723 77.878 21.625 1.00 35.44 H new ATOM 1436 N ARG A 838 -60.420 75.895 14.616 1.00 42.13 N ATOM 1437 CA ARG A 838 -60.747 77.120 13.896 1.00 0.35 C ATOM 1438 C ARG A 838 -61.968 76.917 13.004 1.00 43.32 C ATOM 1439 O ARG A 838 -62.866 77.757 12.963 1.00 11.34 O ATOM 1440 CB ARG A 838 -59.555 77.575 13.053 1.00 42.34 C ATOM 1441 CG ARG A 838 -58.587 78.476 13.802 1.00 64.00 C ATOM 1442 CD ARG A 838 -57.363 78.801 12.960 1.00 40.42 C ATOM 1443 NE ARG A 838 -56.542 79.845 13.568 1.00 41.14 N ATOM 1444 CZ ARG A 838 -56.910 81.119 13.642 1.00 45.42 C ATOM 1445 NH1 ARG A 838 -58.078 81.505 13.149 1.00 14.42 N ATOM 1446 NH2 ARG A 838 -56.107 82.011 14.210 1.00 34.42 N ATOM 0 H ARG A 838 -59.514 75.493 14.375 1.00 42.13 H new ATOM 0 HA ARG A 838 -60.979 77.892 14.630 1.00 0.35 H new ATOM 0 HB2 ARG A 838 -59.018 76.697 12.695 1.00 42.34 H new ATOM 0 HB3 ARG A 838 -59.923 78.103 12.174 1.00 42.34 H new ATOM 0 HG2 ARG A 838 -59.092 79.400 14.084 1.00 64.00 H new ATOM 0 HG3 ARG A 838 -58.275 77.989 14.726 1.00 64.00 H new ATOM 0 HD2 ARG A 838 -56.764 77.900 12.828 1.00 40.42 H new ATOM 0 HD3 ARG A 838 -57.680 79.121 11.968 1.00 40.42 H new ATOM 0 HE ARG A 838 -55.637 79.581 13.957 1.00 41.14 H new ATOM 0 HH11 ARG A 838 -58.697 80.823 12.711 1.00 14.42 H new ATOM 0 HH12 ARG A 838 -58.358 82.484 13.207 1.00 14.42 H new ATOM 0 HH21 ARG A 838 -55.207 81.718 14.590 1.00 34.42 H new ATOM 0 HH22 ARG A 838 -56.390 82.989 14.266 1.00 34.42 H new ATOM 1460 N ALA A 839 -61.992 75.797 12.290 1.00 72.25 N ATOM 1461 CA ALA A 839 -63.103 75.483 11.399 1.00 64.31 C ATOM 1462 C ALA A 839 -64.437 75.571 12.133 1.00 65.44 C ATOM 1463 O ALA A 839 -65.325 76.326 11.737 1.00 45.24 O ATOM 1464 CB ALA A 839 -62.920 74.098 10.796 1.00 61.12 C ATOM 0 H ALA A 839 -61.255 75.092 12.311 1.00 72.25 H new ATOM 0 HA ALA A 839 -63.112 76.219 10.595 1.00 64.31 H new ATOM 0 HB1 ALA A 839 -63.756 73.876 10.133 1.00 61.12 H new ATOM 0 HB2 ALA A 839 -61.990 74.068 10.229 1.00 61.12 H new ATOM 0 HB3 ALA A 839 -62.883 73.356 11.594 1.00 61.12 H new ATOM 1470 N ILE A 840 -64.571 74.793 13.202 1.00 44.41 N ATOM 1471 CA ILE A 840 -65.797 74.785 13.990 1.00 25.53 C ATOM 1472 C ILE A 840 -66.002 76.117 14.702 1.00 1.33 C ATOM 1473 O ILE A 840 -67.134 76.541 14.934 1.00 34.43 O ATOM 1474 CB ILE A 840 -65.786 73.653 15.035 1.00 5.44 C ATOM 1475 CG1 ILE A 840 -67.164 73.517 15.686 1.00 62.23 C ATOM 1476 CG2 ILE A 840 -64.720 73.916 16.089 1.00 13.44 C ATOM 1477 CD1 ILE A 840 -68.179 72.819 14.808 1.00 14.12 C ATOM 0 H ILE A 840 -63.846 74.161 13.542 1.00 44.41 H new ATOM 0 HA ILE A 840 -66.619 74.618 13.294 1.00 25.53 H new ATOM 0 HB ILE A 840 -65.549 72.716 14.532 1.00 5.44 H new ATOM 0 HG12 ILE A 840 -67.063 72.965 16.620 1.00 62.23 H new ATOM 0 HG13 ILE A 840 -67.537 74.509 15.941 1.00 62.23 H new ATOM 0 HG21 ILE A 840 -64.724 73.108 16.820 1.00 13.44 H new ATOM 0 HG22 ILE A 840 -63.741 73.968 15.612 1.00 13.44 H new ATOM 0 HG23 ILE A 840 -64.930 74.861 16.591 1.00 13.44 H new ATOM 0 HD11 ILE A 840 -69.133 72.757 15.332 1.00 14.12 H new ATOM 0 HD12 ILE A 840 -68.309 73.382 13.884 1.00 14.12 H new ATOM 0 HD13 ILE A 840 -67.828 71.814 14.574 1.00 14.12 H new ATOM 1489 N ARG A 841 -64.899 76.775 15.045 1.00 71.01 N ATOM 1490 CA ARG A 841 -64.958 78.061 15.730 1.00 61.41 C ATOM 1491 C ARG A 841 -65.496 79.146 14.803 1.00 54.41 C ATOM 1492 O ARG A 841 -66.094 80.124 15.255 1.00 22.33 O ATOM 1493 CB ARG A 841 -63.571 78.454 16.242 1.00 61.23 C ATOM 1494 CG ARG A 841 -63.499 79.875 16.776 1.00 33.23 C ATOM 1495 CD ARG A 841 -62.365 80.038 17.776 1.00 64.44 C ATOM 1496 NE ARG A 841 -62.768 79.661 19.128 1.00 41.02 N ATOM 1497 CZ ARG A 841 -63.511 80.431 19.914 1.00 13.33 C ATOM 1498 NH1 ARG A 841 -63.931 81.614 19.485 1.00 24.32 N ATOM 1499 NH2 ARG A 841 -63.837 80.019 21.133 1.00 72.03 N ATOM 0 H ARG A 841 -63.954 76.439 14.860 1.00 71.01 H new ATOM 0 HA ARG A 841 -65.636 77.962 16.578 1.00 61.41 H new ATOM 0 HB2 ARG A 841 -63.275 77.763 17.031 1.00 61.23 H new ATOM 0 HB3 ARG A 841 -62.849 78.342 15.433 1.00 61.23 H new ATOM 0 HG2 ARG A 841 -63.358 80.569 15.948 1.00 33.23 H new ATOM 0 HG3 ARG A 841 -64.445 80.134 17.251 1.00 33.23 H new ATOM 0 HD2 ARG A 841 -61.518 79.426 17.466 1.00 64.44 H new ATOM 0 HD3 ARG A 841 -62.027 81.074 17.774 1.00 64.44 H new ATOM 0 HE ARG A 841 -62.462 78.757 19.488 1.00 41.02 H new ATOM 0 HH11 ARG A 841 -63.683 81.934 18.549 1.00 24.32 H new ATOM 0 HH12 ARG A 841 -64.502 82.203 20.091 1.00 24.32 H new ATOM 0 HH21 ARG A 841 -63.517 79.110 21.467 1.00 72.03 H new ATOM 0 HH22 ARG A 841 -64.408 80.611 21.736 1.00 72.03 H new ATOM 1513 N HIS A 842 -65.280 78.969 13.503 1.00 35.54 N ATOM 1514 CA HIS A 842 -65.744 79.933 12.512 1.00 12.03 C ATOM 1515 C HIS A 842 -67.140 79.572 12.014 1.00 71.50 C ATOM 1516 O HIS A 842 -67.935 80.449 11.675 1.00 21.20 O ATOM 1517 CB HIS A 842 -64.770 79.995 11.335 1.00 11.14 C ATOM 1518 CG HIS A 842 -63.387 80.420 11.724 1.00 15.10 C ATOM 1519 ND1 HIS A 842 -63.127 81.242 12.801 1.00 73.45 N ATOM 1520 CD2 HIS A 842 -62.185 80.131 11.174 1.00 40.11 C ATOM 1521 CE1 HIS A 842 -61.825 81.441 12.895 1.00 62.03 C ATOM 1522 NE2 HIS A 842 -61.230 80.778 11.920 1.00 71.45 N ATOM 0 H HIS A 842 -64.786 78.167 13.112 1.00 35.54 H new ATOM 0 HA HIS A 842 -65.790 80.912 12.988 1.00 12.03 H new ATOM 0 HB2 HIS A 842 -64.720 79.014 10.863 1.00 11.14 H new ATOM 0 HB3 HIS A 842 -65.158 80.688 10.589 1.00 11.14 H new ATOM 0 HD1 HIS A 842 -63.830 81.635 13.427 1.00 73.45 H new ATOM 0 HD2 HIS A 842 -62.009 79.508 10.310 1.00 40.11 H new ATOM 0 HE1 HIS A 842 -61.331 82.044 13.642 1.00 62.03 H new ATOM 1630 N ARG A 848 -70.231 66.641 15.679 1.00 51.23 N ATOM 1631 CA ARG A 848 -69.959 65.225 15.463 1.00 41.34 C ATOM 1632 C ARG A 848 -68.530 65.015 14.970 1.00 10.41 C ATOM 1633 O ARG A 848 -67.918 63.981 15.235 1.00 34.20 O ATOM 1634 CB ARG A 848 -70.949 64.642 14.452 1.00 3.33 C ATOM 1635 CG ARG A 848 -72.277 64.234 15.067 1.00 33.04 C ATOM 1636 CD ARG A 848 -73.123 63.436 14.087 1.00 31.15 C ATOM 1637 NE ARG A 848 -74.476 63.211 14.589 1.00 52.42 N ATOM 1638 CZ ARG A 848 -75.506 62.898 13.810 1.00 1.12 C ATOM 1639 NH1 ARG A 848 -75.337 62.773 12.501 1.00 33.41 N ATOM 1640 NH2 ARG A 848 -76.707 62.709 14.341 1.00 53.21 N ATOM 0 HA ARG A 848 -70.076 64.709 16.416 1.00 41.34 H new ATOM 0 HB2 ARG A 848 -71.132 65.378 13.669 1.00 3.33 H new ATOM 0 HB3 ARG A 848 -70.497 63.773 13.974 1.00 3.33 H new ATOM 0 HG2 ARG A 848 -72.097 63.639 15.962 1.00 33.04 H new ATOM 0 HG3 ARG A 848 -72.823 65.124 15.380 1.00 33.04 H new ATOM 0 HD2 ARG A 848 -73.173 63.966 13.136 1.00 31.15 H new ATOM 0 HD3 ARG A 848 -72.644 62.476 13.893 1.00 31.15 H new ATOM 0 HE ARG A 848 -74.639 63.299 15.592 1.00 52.42 H new ATOM 0 HH11 ARG A 848 -74.415 62.917 12.090 1.00 33.41 H new ATOM 0 HH12 ARG A 848 -76.129 62.533 11.905 1.00 33.41 H new ATOM 0 HH21 ARG A 848 -76.840 62.804 15.348 1.00 53.21 H new ATOM 0 HH22 ARG A 848 -77.497 62.469 13.742 1.00 53.21 H new ATOM 1654 N GLN A 849 -68.006 66.004 14.252 1.00 23.53 N ATOM 1655 CA GLN A 849 -66.650 65.926 13.722 1.00 23.22 C ATOM 1656 C GLN A 849 -65.654 65.575 14.823 1.00 10.30 C ATOM 1657 O GLN A 849 -64.766 64.746 14.630 1.00 72.11 O ATOM 1658 CB GLN A 849 -66.259 67.252 13.068 1.00 65.13 C ATOM 1659 CG GLN A 849 -65.016 67.157 12.197 1.00 50.40 C ATOM 1660 CD GLN A 849 -65.294 66.518 10.851 1.00 50.43 C ATOM 1661 OE1 GLN A 849 -65.939 65.472 10.768 1.00 4.53 O ATOM 1662 NE2 GLN A 849 -64.808 67.145 9.786 1.00 52.42 N ATOM 0 H GLN A 849 -68.499 66.867 14.024 1.00 23.53 H new ATOM 0 HA GLN A 849 -66.625 65.137 12.970 1.00 23.22 H new ATOM 0 HB2 GLN A 849 -67.092 67.608 12.461 1.00 65.13 H new ATOM 0 HB3 GLN A 849 -66.091 67.996 13.847 1.00 65.13 H new ATOM 0 HG2 GLN A 849 -64.608 68.156 12.043 1.00 50.40 H new ATOM 0 HG3 GLN A 849 -64.254 66.578 12.719 1.00 50.40 H new ATOM 0 HE21 GLN A 849 -64.279 68.010 9.900 1.00 52.42 H new ATOM 0 HE22 GLN A 849 -64.964 66.762 8.854 1.00 52.42 H new ATOM 1671 N GLY A 850 -65.808 66.214 15.979 1.00 32.11 N ATOM 1672 CA GLY A 850 -64.915 65.956 17.094 1.00 52.33 C ATOM 1673 C GLY A 850 -65.047 64.544 17.628 1.00 70.12 C ATOM 1674 O GLY A 850 -64.057 63.819 17.739 1.00 52.12 O ATOM 0 H GLY A 850 -66.535 66.905 16.163 1.00 32.11 H new ATOM 0 HA2 GLY A 850 -63.886 66.127 16.778 1.00 52.33 H new ATOM 0 HA3 GLY A 850 -65.125 66.665 17.895 1.00 52.33 H new ATOM 1678 N LEU A 851 -66.271 64.151 17.961 1.00 14.13 N ATOM 1679 CA LEU A 851 -66.530 62.816 18.489 1.00 65.32 C ATOM 1680 C LEU A 851 -65.937 61.746 17.577 1.00 2.20 C ATOM 1681 O LEU A 851 -65.373 60.759 18.048 1.00 2.21 O ATOM 1682 CB LEU A 851 -68.034 62.590 18.647 1.00 12.50 C ATOM 1683 CG LEU A 851 -68.671 63.174 19.909 1.00 53.35 C ATOM 1684 CD1 LEU A 851 -69.009 64.643 19.705 1.00 12.11 C ATOM 1685 CD2 LEU A 851 -69.916 62.387 20.291 1.00 70.21 C ATOM 0 H LEU A 851 -67.101 64.738 17.875 1.00 14.13 H new ATOM 0 HA LEU A 851 -66.054 62.741 19.466 1.00 65.32 H new ATOM 0 HB2 LEU A 851 -68.538 63.015 17.779 1.00 12.50 H new ATOM 0 HB3 LEU A 851 -68.224 61.517 18.632 1.00 12.50 H new ATOM 0 HG LEU A 851 -67.952 63.097 20.725 1.00 53.35 H new ATOM 0 HD11 LEU A 851 -69.461 65.042 20.613 1.00 12.11 H new ATOM 0 HD12 LEU A 851 -68.098 65.198 19.479 1.00 12.11 H new ATOM 0 HD13 LEU A 851 -69.710 64.743 18.876 1.00 12.11 H new ATOM 0 HD21 LEU A 851 -70.356 62.816 21.191 1.00 70.21 H new ATOM 0 HD22 LEU A 851 -70.639 62.432 19.477 1.00 70.21 H new ATOM 0 HD23 LEU A 851 -69.646 61.348 20.479 1.00 70.21 H new ATOM 1697 N GLU A 852 -66.067 61.951 16.270 1.00 12.21 N ATOM 1698 CA GLU A 852 -65.543 61.004 15.293 1.00 41.41 C ATOM 1699 C GLU A 852 -64.027 61.133 15.169 1.00 14.53 C ATOM 1700 O GLU A 852 -63.328 60.150 14.927 1.00 22.23 O ATOM 1701 CB GLU A 852 -66.198 61.230 13.929 1.00 41.24 C ATOM 1702 CG GLU A 852 -67.662 60.825 13.882 1.00 65.14 C ATOM 1703 CD GLU A 852 -68.126 60.477 12.481 1.00 41.04 C ATOM 1704 OE1 GLU A 852 -69.073 59.674 12.351 1.00 30.22 O ATOM 1705 OE2 GLU A 852 -67.541 61.009 11.513 1.00 35.05 O ATOM 0 H GLU A 852 -66.530 62.764 15.864 1.00 12.21 H new ATOM 0 HA GLU A 852 -65.778 59.997 15.639 1.00 41.41 H new ATOM 0 HB2 GLU A 852 -66.113 62.284 13.665 1.00 41.24 H new ATOM 0 HB3 GLU A 852 -65.649 60.667 13.174 1.00 41.24 H new ATOM 0 HG2 GLU A 852 -67.819 59.967 14.536 1.00 65.14 H new ATOM 0 HG3 GLU A 852 -68.273 61.639 14.271 1.00 65.14 H new ATOM 1712 N ARG A 853 -63.528 62.354 15.337 1.00 63.54 N ATOM 1713 CA ARG A 853 -62.096 62.612 15.242 1.00 11.41 C ATOM 1714 C ARG A 853 -61.332 61.841 16.315 1.00 52.25 C ATOM 1715 O ARG A 853 -60.300 61.230 16.037 1.00 42.23 O ATOM 1716 CB ARG A 853 -61.817 64.110 15.380 1.00 41.24 C ATOM 1717 CG ARG A 853 -61.909 64.870 14.066 1.00 22.13 C ATOM 1718 CD ARG A 853 -62.196 66.346 14.295 1.00 21.44 C ATOM 1719 NE ARG A 853 -61.331 66.918 15.324 1.00 55.21 N ATOM 1720 CZ ARG A 853 -61.616 68.035 15.985 1.00 31.51 C ATOM 1721 NH1 ARG A 853 -62.737 68.694 15.727 1.00 43.50 N ATOM 1722 NH2 ARG A 853 -60.779 68.493 16.907 1.00 32.43 N ATOM 0 H ARG A 853 -64.093 63.179 15.539 1.00 63.54 H new ATOM 0 HA ARG A 853 -61.755 62.273 14.264 1.00 11.41 H new ATOM 0 HB2 ARG A 853 -62.525 64.539 16.089 1.00 41.24 H new ATOM 0 HB3 ARG A 853 -60.821 64.248 15.801 1.00 41.24 H new ATOM 0 HG2 ARG A 853 -60.975 64.761 13.515 1.00 22.13 H new ATOM 0 HG3 ARG A 853 -62.696 64.437 13.448 1.00 22.13 H new ATOM 0 HD2 ARG A 853 -62.058 66.891 13.361 1.00 21.44 H new ATOM 0 HD3 ARG A 853 -63.239 66.472 14.587 1.00 21.44 H new ATOM 0 HE ARG A 853 -60.461 66.434 15.547 1.00 55.21 H new ATOM 0 HH11 ARG A 853 -63.383 68.344 15.020 1.00 43.50 H new ATOM 0 HH12 ARG A 853 -62.953 69.551 16.236 1.00 43.50 H new ATOM 0 HH21 ARG A 853 -59.916 67.988 17.109 1.00 32.43 H new ATOM 0 HH22 ARG A 853 -60.998 69.350 17.414 1.00 32.43 H new ATOM 1736 N ILE A 854 -61.846 61.875 17.539 1.00 33.23 N ATOM 1737 CA ILE A 854 -61.213 61.179 18.652 1.00 21.24 C ATOM 1738 C ILE A 854 -61.271 59.667 18.460 1.00 13.23 C ATOM 1739 O ILE A 854 -60.341 58.947 18.825 1.00 2.45 O ATOM 1740 CB ILE A 854 -61.877 61.541 19.994 1.00 74.41 C ATOM 1741 CG1 ILE A 854 -61.913 63.059 20.177 1.00 0.22 C ATOM 1742 CG2 ILE A 854 -61.137 60.880 21.147 1.00 70.41 C ATOM 1743 CD1 ILE A 854 -60.541 63.688 20.276 1.00 2.22 C ATOM 0 H ILE A 854 -62.699 62.377 17.785 1.00 33.23 H new ATOM 0 HA ILE A 854 -60.172 61.500 18.673 1.00 21.24 H new ATOM 0 HB ILE A 854 -62.902 61.171 19.987 1.00 74.41 H new ATOM 0 HG12 ILE A 854 -62.449 63.505 19.339 1.00 0.22 H new ATOM 0 HG13 ILE A 854 -62.478 63.295 21.079 1.00 0.22 H new ATOM 0 HG21 ILE A 854 -61.618 61.146 22.088 1.00 70.41 H new ATOM 0 HG22 ILE A 854 -61.159 59.798 21.021 1.00 70.41 H new ATOM 0 HG23 ILE A 854 -60.102 61.223 21.159 1.00 70.41 H new ATOM 0 HD11 ILE A 854 -60.643 64.766 20.405 1.00 2.22 H new ATOM 0 HD12 ILE A 854 -60.010 63.269 21.131 1.00 2.22 H new ATOM 0 HD13 ILE A 854 -59.980 63.483 19.364 1.00 2.22 H new ATOM 1755 N LEU A 855 -62.369 59.192 17.883 1.00 34.25 N ATOM 1756 CA LEU A 855 -62.549 57.765 17.640 1.00 33.32 C ATOM 1757 C LEU A 855 -61.477 57.234 16.695 1.00 65.03 C ATOM 1758 O LEU A 855 -60.678 56.372 17.065 1.00 10.44 O ATOM 1759 CB LEU A 855 -63.938 57.498 17.056 1.00 64.02 C ATOM 1760 CG LEU A 855 -64.661 56.259 17.584 1.00 35.00 C ATOM 1761 CD1 LEU A 855 -65.976 56.054 16.847 1.00 65.55 C ATOM 1762 CD2 LEU A 855 -63.776 55.028 17.454 1.00 54.05 C ATOM 0 H LEU A 855 -63.148 59.774 17.575 1.00 34.25 H new ATOM 0 HA LEU A 855 -62.456 57.245 18.593 1.00 33.32 H new ATOM 0 HB2 LEU A 855 -64.564 58.369 17.248 1.00 64.02 H new ATOM 0 HB3 LEU A 855 -63.844 57.406 15.974 1.00 64.02 H new ATOM 0 HG LEU A 855 -64.881 56.413 18.641 1.00 35.00 H new ATOM 0 HD11 LEU A 855 -66.477 55.168 17.236 1.00 65.55 H new ATOM 0 HD12 LEU A 855 -66.615 56.925 16.993 1.00 65.55 H new ATOM 0 HD13 LEU A 855 -65.780 55.922 15.783 1.00 65.55 H new ATOM 0 HD21 LEU A 855 -64.307 54.156 17.835 1.00 54.05 H new ATOM 0 HD22 LEU A 855 -63.524 54.870 16.405 1.00 54.05 H new ATOM 0 HD23 LEU A 855 -62.861 55.175 18.029 1.00 54.05 H new