USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 504 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 17 SER OG : rot 170:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -135:sc= -1.12 (180deg=-2.44!) USER MOD Single : A 33 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.29) USER MOD Single : A 35 GLN : amide:sc= -0.0952 X(o=-0.095,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= -0.0597 (180deg=-0.748) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 119:sc= 1.14 USER MOD Single : A 72 SER OG : rot 79:sc= 0.785 USER MOD Single : A 73 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 74 GLN : amide:sc= 0.602 K(o=0.6,f=-0.0023) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0505 USER MOD Single : A 87 MET CE :methyl -172:sc= -0.851 (180deg=-1.05) USER MOD Single : A 88 THR OG1 : rot -90:sc= 1.47 USER MOD Single : A 92 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.1) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -157:sc= 0 (180deg=-0.763) USER MOD Single : A 98 GLN : amide:sc= -0.243 K(o=-0.24,f=-3!) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 90:sc= 0.217 USER MOD ----------------------------------------------------------------- ATOM 210 N PRO A 16 0.748 21.561 -9.495 1.00 0.00 N ATOM 211 CA PRO A 16 -0.174 20.428 -9.780 1.00 0.00 C ATOM 212 C PRO A 16 -1.343 20.859 -10.664 1.00 0.00 C ATOM 213 O PRO A 16 -2.470 20.978 -10.223 1.00 0.00 O ATOM 214 CB PRO A 16 -0.630 19.980 -8.389 1.00 0.00 C ATOM 215 CG PRO A 16 -0.406 21.175 -7.526 1.00 0.00 C ATOM 216 CD PRO A 16 0.853 21.809 -8.052 1.00 0.00 C ATOM 0 HA PRO A 16 0.302 19.623 -10.339 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.678 19.681 -8.391 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.055 19.123 -8.039 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.248 21.865 -7.582 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.296 20.890 -6.480 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.898 22.874 -7.825 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.747 21.354 -7.625 1.00 0.00 H new ATOM 224 N SER A 17 -1.064 21.091 -11.919 1.00 0.00 N ATOM 225 CA SER A 17 -2.133 21.514 -12.874 1.00 0.00 C ATOM 226 C SER A 17 -2.690 22.861 -12.441 1.00 0.00 C ATOM 227 O SER A 17 -3.865 23.136 -12.578 1.00 0.00 O ATOM 228 CB SER A 17 -3.211 20.430 -12.798 1.00 0.00 C ATOM 229 OG SER A 17 -3.883 20.347 -14.048 1.00 0.00 O ATOM 0 H SER A 17 -0.134 21.005 -12.328 1.00 0.00 H new ATOM 0 HA SER A 17 -1.761 21.624 -13.893 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.760 19.469 -12.550 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.922 20.663 -12.005 1.00 0.00 H new ATOM 0 HG SER A 17 -4.458 19.554 -14.058 1.00 0.00 H new ATOM 235 N ALA A 18 -1.836 23.696 -11.919 1.00 0.00 N ATOM 236 CA ALA A 18 -2.263 25.052 -11.453 1.00 0.00 C ATOM 237 C ALA A 18 -3.665 25.005 -10.834 1.00 0.00 C ATOM 238 O ALA A 18 -4.459 25.911 -10.997 1.00 0.00 O ATOM 239 CB ALA A 18 -2.250 25.914 -12.712 1.00 0.00 C ATOM 0 H ALA A 18 -0.844 23.496 -11.792 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.606 25.446 -10.677 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.552 26.931 -12.460 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.245 25.928 -13.133 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.944 25.500 -13.444 1.00 0.00 H new ATOM 245 N ASP A 19 -3.971 23.950 -10.125 1.00 0.00 N ATOM 246 CA ASP A 19 -5.314 23.831 -9.494 1.00 0.00 C ATOM 247 C ASP A 19 -5.330 22.650 -8.521 1.00 0.00 C ATOM 248 O ASP A 19 -5.074 21.527 -8.905 1.00 0.00 O ATOM 249 CB ASP A 19 -6.284 23.592 -10.652 1.00 0.00 C ATOM 250 CG ASP A 19 -7.474 24.546 -10.530 1.00 0.00 C ATOM 251 OD1 ASP A 19 -8.160 24.483 -9.523 1.00 0.00 O ATOM 252 OD2 ASP A 19 -7.681 25.324 -11.448 1.00 0.00 O ATOM 0 H ASP A 19 -3.344 23.163 -9.957 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.584 24.719 -8.923 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.776 23.748 -11.604 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.631 22.559 -10.642 1.00 0.00 H new ATOM 257 N PRO A 20 -5.630 22.950 -7.287 1.00 0.00 N ATOM 258 CA PRO A 20 -5.676 21.901 -6.241 1.00 0.00 C ATOM 259 C PRO A 20 -6.907 21.013 -6.432 1.00 0.00 C ATOM 260 O PRO A 20 -6.895 19.841 -6.112 1.00 0.00 O ATOM 261 CB PRO A 20 -5.769 22.698 -4.947 1.00 0.00 C ATOM 262 CG PRO A 20 -6.380 24.002 -5.338 1.00 0.00 C ATOM 263 CD PRO A 20 -5.951 24.278 -6.749 1.00 0.00 C ATOM 0 HA PRO A 20 -4.817 21.231 -6.261 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.382 22.181 -4.209 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.785 22.842 -4.501 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.467 23.956 -5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.050 24.799 -4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.744 24.760 -7.321 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.087 24.942 -6.781 1.00 0.00 H new ATOM 271 N GLU A 21 -7.971 21.564 -6.956 1.00 0.00 N ATOM 272 CA GLU A 21 -9.204 20.751 -7.171 1.00 0.00 C ATOM 273 C GLU A 21 -8.931 19.653 -8.202 1.00 0.00 C ATOM 274 O GLU A 21 -9.366 18.528 -8.055 1.00 0.00 O ATOM 275 CB GLU A 21 -10.246 21.737 -7.698 1.00 0.00 C ATOM 276 CG GLU A 21 -11.604 21.039 -7.810 1.00 0.00 C ATOM 277 CD GLU A 21 -11.872 20.671 -9.272 1.00 0.00 C ATOM 278 OE1 GLU A 21 -10.923 20.333 -9.961 1.00 0.00 O ATOM 279 OE2 GLU A 21 -13.021 20.734 -9.677 1.00 0.00 O ATOM 0 H GLU A 21 -8.039 22.540 -7.244 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.541 20.258 -6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.321 22.595 -7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.940 22.118 -8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.616 20.142 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.393 21.693 -7.439 1.00 0.00 H new ATOM 286 N LEU A 22 -8.210 19.974 -9.244 1.00 0.00 N ATOM 287 CA LEU A 22 -7.904 18.948 -10.285 1.00 0.00 C ATOM 288 C LEU A 22 -6.916 17.921 -9.728 1.00 0.00 C ATOM 289 O LEU A 22 -6.937 16.763 -10.097 1.00 0.00 O ATOM 290 CB LEU A 22 -7.277 19.726 -11.446 1.00 0.00 C ATOM 291 CG LEU A 22 -8.119 19.532 -12.710 1.00 0.00 C ATOM 292 CD1 LEU A 22 -9.037 20.741 -12.904 1.00 0.00 C ATOM 293 CD2 LEU A 22 -7.197 19.395 -13.923 1.00 0.00 C ATOM 0 H LEU A 22 -7.820 20.900 -9.419 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.792 18.401 -10.602 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.217 20.785 -11.196 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.258 19.381 -11.620 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.722 18.630 -12.607 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.636 20.602 -13.804 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.696 20.840 -12.041 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.434 21.643 -13.005 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.797 19.257 -14.822 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.593 20.297 -14.025 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.543 18.534 -13.787 1.00 0.00 H new ATOM 305 N ALA A 23 -6.053 18.336 -8.840 1.00 0.00 N ATOM 306 CA ALA A 23 -5.065 17.382 -8.254 1.00 0.00 C ATOM 307 C ALA A 23 -5.796 16.317 -7.431 1.00 0.00 C ATOM 308 O ALA A 23 -5.518 15.139 -7.533 1.00 0.00 O ATOM 309 CB ALA A 23 -4.167 18.235 -7.358 1.00 0.00 C ATOM 0 H ALA A 23 -5.989 19.294 -8.495 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.489 16.858 -9.017 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.413 17.602 -6.891 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.676 19.001 -7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.771 18.711 -6.585 1.00 0.00 H new ATOM 315 N LEU A 24 -6.735 16.728 -6.620 1.00 0.00 N ATOM 316 CA LEU A 24 -7.492 15.743 -5.792 1.00 0.00 C ATOM 317 C LEU A 24 -8.258 14.777 -6.700 1.00 0.00 C ATOM 318 O LEU A 24 -8.328 13.591 -6.441 1.00 0.00 O ATOM 319 CB LEU A 24 -8.466 16.584 -4.959 1.00 0.00 C ATOM 320 CG LEU A 24 -7.984 16.657 -3.505 1.00 0.00 C ATOM 321 CD1 LEU A 24 -7.945 15.249 -2.902 1.00 0.00 C ATOM 322 CD2 LEU A 24 -6.582 17.273 -3.459 1.00 0.00 C ATOM 0 H LEU A 24 -7.010 17.702 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.837 15.141 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.542 17.588 -5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.463 16.146 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.671 17.277 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.602 15.305 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.944 14.814 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.261 14.625 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.241 17.324 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.894 16.656 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.612 18.277 -3.881 1.00 0.00 H new ATOM 334 N ALA A 25 -8.829 15.277 -7.762 1.00 0.00 N ATOM 335 CA ALA A 25 -9.589 14.391 -8.691 1.00 0.00 C ATOM 336 C ALA A 25 -8.644 13.370 -9.332 1.00 0.00 C ATOM 337 O ALA A 25 -9.028 12.256 -9.626 1.00 0.00 O ATOM 338 CB ALA A 25 -10.169 15.327 -9.752 1.00 0.00 C ATOM 0 H ALA A 25 -8.802 16.262 -8.027 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.369 13.827 -8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.744 14.747 -10.474 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.820 16.059 -9.274 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.357 15.843 -10.265 1.00 0.00 H new ATOM 344 N LEU A 26 -7.411 13.745 -9.549 1.00 0.00 N ATOM 345 CA LEU A 26 -6.441 12.794 -10.168 1.00 0.00 C ATOM 346 C LEU A 26 -6.073 11.693 -9.169 1.00 0.00 C ATOM 347 O LEU A 26 -5.685 10.604 -9.548 1.00 0.00 O ATOM 348 CB LEU A 26 -5.211 13.639 -10.519 1.00 0.00 C ATOM 349 CG LEU A 26 -4.909 13.509 -12.014 1.00 0.00 C ATOM 350 CD1 LEU A 26 -3.702 14.382 -12.368 1.00 0.00 C ATOM 351 CD2 LEU A 26 -4.599 12.046 -12.353 1.00 0.00 C ATOM 0 H LEU A 26 -7.034 14.666 -9.325 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.854 12.301 -11.048 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.390 14.683 -10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.352 13.310 -9.934 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.776 13.836 -12.587 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.486 14.290 -13.432 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.924 15.423 -12.131 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.836 14.056 -11.793 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.384 11.957 -13.418 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.733 11.715 -11.779 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.459 11.424 -12.103 1.00 0.00 H new ATOM 363 N ARG A 27 -6.205 11.963 -7.897 1.00 0.00 N ATOM 364 CA ARG A 27 -5.878 10.926 -6.878 1.00 0.00 C ATOM 365 C ARG A 27 -7.037 9.939 -6.782 1.00 0.00 C ATOM 366 O ARG A 27 -6.859 8.777 -6.470 1.00 0.00 O ATOM 367 CB ARG A 27 -5.706 11.692 -5.564 1.00 0.00 C ATOM 368 CG ARG A 27 -4.279 11.504 -5.045 1.00 0.00 C ATOM 369 CD ARG A 27 -3.401 12.657 -5.537 1.00 0.00 C ATOM 370 NE ARG A 27 -2.124 12.513 -4.784 1.00 0.00 N ATOM 371 CZ ARG A 27 -1.006 12.941 -5.306 1.00 0.00 C ATOM 372 NH1 ARG A 27 -0.604 12.474 -6.457 1.00 0.00 N ATOM 373 NH2 ARG A 27 -0.293 13.836 -4.679 1.00 0.00 N ATOM 0 H ARG A 27 -6.525 12.856 -7.521 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.981 10.358 -7.124 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.911 12.751 -5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.423 11.333 -4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.278 11.472 -3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.877 10.552 -5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.235 12.596 -6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.869 13.622 -5.341 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.123 12.080 -3.860 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.163 11.776 -6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.269 12.807 -6.866 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.609 14.202 -3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.580 14.170 -5.087 1.00 0.00 H new ATOM 387 N VAL A 28 -8.228 10.397 -7.061 1.00 0.00 N ATOM 388 CA VAL A 28 -9.408 9.494 -7.003 1.00 0.00 C ATOM 389 C VAL A 28 -9.439 8.605 -8.249 1.00 0.00 C ATOM 390 O VAL A 28 -9.972 7.512 -8.232 1.00 0.00 O ATOM 391 CB VAL A 28 -10.622 10.425 -6.970 1.00 0.00 C ATOM 392 CG1 VAL A 28 -11.907 9.594 -6.942 1.00 0.00 C ATOM 393 CG2 VAL A 28 -10.559 11.300 -5.716 1.00 0.00 C ATOM 0 H VAL A 28 -8.432 11.360 -7.327 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.387 8.832 -6.137 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.616 11.056 -7.859 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.770 10.259 -6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.955 8.968 -7.833 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.912 8.962 -6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.423 11.964 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.563 10.666 -4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.646 11.895 -5.733 1.00 0.00 H new ATOM 403 N SER A 29 -8.865 9.067 -9.329 1.00 0.00 N ATOM 404 CA SER A 29 -8.853 8.255 -10.580 1.00 0.00 C ATOM 405 C SER A 29 -7.808 7.140 -10.472 1.00 0.00 C ATOM 406 O SER A 29 -8.072 5.998 -10.791 1.00 0.00 O ATOM 407 CB SER A 29 -8.475 9.237 -11.689 1.00 0.00 C ATOM 408 OG SER A 29 -9.658 9.697 -12.331 1.00 0.00 O ATOM 0 H SER A 29 -8.403 9.974 -9.398 1.00 0.00 H new ATOM 0 HA SER A 29 -9.813 7.777 -10.772 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.922 10.079 -11.272 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.820 8.752 -12.412 1.00 0.00 H new ATOM 0 HG SER A 29 -9.420 10.328 -13.042 1.00 0.00 H new ATOM 414 N MET A 30 -6.625 7.466 -10.021 1.00 0.00 N ATOM 415 CA MET A 30 -5.563 6.424 -9.890 1.00 0.00 C ATOM 416 C MET A 30 -5.973 5.387 -8.841 1.00 0.00 C ATOM 417 O MET A 30 -5.815 4.198 -9.037 1.00 0.00 O ATOM 418 CB MET A 30 -4.313 7.183 -9.435 1.00 0.00 C ATOM 419 CG MET A 30 -3.350 7.339 -10.614 1.00 0.00 C ATOM 420 SD MET A 30 -3.606 8.952 -11.396 1.00 0.00 S ATOM 421 CE MET A 30 -2.723 9.942 -10.166 1.00 0.00 C ATOM 0 H MET A 30 -6.348 8.406 -9.738 1.00 0.00 H new ATOM 0 HA MET A 30 -5.393 5.886 -10.823 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.591 8.163 -9.047 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.825 6.646 -8.622 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.320 7.250 -10.270 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.514 6.542 -11.339 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.310 10.827 -9.922 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.569 9.349 -9.265 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.757 10.247 -10.569 1.00 0.00 H new ATOM 431 N GLU A 31 -6.498 5.830 -7.730 1.00 0.00 N ATOM 432 CA GLU A 31 -6.921 4.872 -6.666 1.00 0.00 C ATOM 433 C GLU A 31 -8.056 3.980 -7.178 1.00 0.00 C ATOM 434 O GLU A 31 -8.106 2.800 -6.893 1.00 0.00 O ATOM 435 CB GLU A 31 -7.407 5.748 -5.511 1.00 0.00 C ATOM 436 CG GLU A 31 -7.288 4.975 -4.196 1.00 0.00 C ATOM 437 CD GLU A 31 -8.616 4.280 -3.889 1.00 0.00 C ATOM 438 OE1 GLU A 31 -9.648 4.885 -4.128 1.00 0.00 O ATOM 439 OE2 GLU A 31 -8.579 3.155 -3.420 1.00 0.00 O ATOM 0 H GLU A 31 -6.653 6.815 -7.513 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.110 4.211 -6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.817 6.663 -5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.442 6.045 -5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.488 4.238 -4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.025 5.654 -3.385 1.00 0.00 H new ATOM 446 N GLU A 32 -8.966 4.538 -7.932 1.00 0.00 N ATOM 447 CA GLU A 32 -10.098 3.723 -8.464 1.00 0.00 C ATOM 448 C GLU A 32 -9.576 2.669 -9.445 1.00 0.00 C ATOM 449 O GLU A 32 -9.950 1.514 -9.385 1.00 0.00 O ATOM 450 CB GLU A 32 -11.006 4.721 -9.183 1.00 0.00 C ATOM 451 CG GLU A 32 -12.054 5.257 -8.206 1.00 0.00 C ATOM 452 CD GLU A 32 -13.087 6.087 -8.969 1.00 0.00 C ATOM 453 OE1 GLU A 32 -12.696 7.071 -9.576 1.00 0.00 O ATOM 454 OE2 GLU A 32 -14.252 5.726 -8.932 1.00 0.00 O ATOM 0 H GLU A 32 -8.975 5.521 -8.202 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.627 3.189 -7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.414 5.543 -9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.496 4.239 -10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.544 4.430 -7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.575 5.868 -7.441 1.00 0.00 H new ATOM 461 N GLN A 33 -8.715 3.060 -10.346 1.00 0.00 N ATOM 462 CA GLN A 33 -8.168 2.082 -11.332 1.00 0.00 C ATOM 463 C GLN A 33 -7.404 0.971 -10.604 1.00 0.00 C ATOM 464 O GLN A 33 -7.436 -0.178 -11.000 1.00 0.00 O ATOM 465 CB GLN A 33 -7.218 2.894 -12.216 1.00 0.00 C ATOM 466 CG GLN A 33 -7.893 3.191 -13.557 1.00 0.00 C ATOM 467 CD GLN A 33 -6.845 3.177 -14.671 1.00 0.00 C ATOM 468 OE1 GLN A 33 -5.721 3.592 -14.469 1.00 0.00 O ATOM 469 NE2 GLN A 33 -7.167 2.713 -15.848 1.00 0.00 N ATOM 0 H GLN A 33 -8.367 4.014 -10.442 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.954 1.601 -11.915 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.949 3.826 -11.718 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.293 2.341 -12.378 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.665 2.448 -13.760 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.387 4.162 -13.520 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.110 2.364 -16.018 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.475 2.699 -16.597 1.00 0.00 H new ATOM 478 N ARG A 34 -6.721 1.307 -9.543 1.00 0.00 N ATOM 479 CA ARG A 34 -5.956 0.271 -8.787 1.00 0.00 C ATOM 480 C ARG A 34 -6.917 -0.756 -8.183 1.00 0.00 C ATOM 481 O ARG A 34 -6.652 -1.942 -8.183 1.00 0.00 O ATOM 482 CB ARG A 34 -5.222 1.039 -7.681 1.00 0.00 C ATOM 483 CG ARG A 34 -3.710 0.902 -7.878 1.00 0.00 C ATOM 484 CD ARG A 34 -3.197 2.069 -8.725 1.00 0.00 C ATOM 485 NE ARG A 34 -2.768 3.101 -7.740 1.00 0.00 N ATOM 486 CZ ARG A 34 -1.784 3.907 -8.027 1.00 0.00 C ATOM 487 NH1 ARG A 34 -1.717 4.462 -9.206 1.00 0.00 N ATOM 488 NH2 ARG A 34 -0.866 4.160 -7.134 1.00 0.00 N ATOM 0 H ARG A 34 -6.659 2.253 -9.166 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.263 -0.277 -9.425 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.508 2.091 -7.703 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.508 0.651 -6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.206 0.891 -6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.481 -0.045 -8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.367 1.761 -9.360 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.977 2.452 -9.383 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.244 3.177 -6.841 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.435 4.265 -9.904 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.947 5.092 -9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.918 3.727 -6.212 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.096 4.790 -7.358 1.00 0.00 H new ATOM 502 N GLN A 35 -8.033 -0.309 -7.671 1.00 0.00 N ATOM 503 CA GLN A 35 -9.012 -1.261 -7.067 1.00 0.00 C ATOM 504 C GLN A 35 -9.549 -2.216 -8.137 1.00 0.00 C ATOM 505 O GLN A 35 -9.879 -3.352 -7.858 1.00 0.00 O ATOM 506 CB GLN A 35 -10.140 -0.381 -6.522 1.00 0.00 C ATOM 507 CG GLN A 35 -9.918 -0.131 -5.029 1.00 0.00 C ATOM 508 CD GLN A 35 -10.902 0.932 -4.538 1.00 0.00 C ATOM 509 OE1 GLN A 35 -11.791 0.643 -3.763 1.00 0.00 O ATOM 510 NE2 GLN A 35 -10.779 2.162 -4.960 1.00 0.00 N ATOM 0 H GLN A 35 -8.309 0.673 -7.645 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.561 -1.875 -6.287 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.168 0.567 -7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.103 -0.866 -6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.057 -1.056 -4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.894 0.197 -4.853 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.032 2.406 -5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.429 2.879 -4.639 1.00 0.00 H new ATOM 519 N ARG A 36 -9.638 -1.763 -9.359 1.00 0.00 N ATOM 520 CA ARG A 36 -10.155 -2.642 -10.448 1.00 0.00 C ATOM 521 C ARG A 36 -9.023 -3.501 -11.019 1.00 0.00 C ATOM 522 O ARG A 36 -9.174 -4.690 -11.219 1.00 0.00 O ATOM 523 CB ARG A 36 -10.688 -1.682 -11.512 1.00 0.00 C ATOM 524 CG ARG A 36 -11.892 -0.921 -10.957 1.00 0.00 C ATOM 525 CD ARG A 36 -12.601 -0.184 -12.097 1.00 0.00 C ATOM 526 NE ARG A 36 -13.502 0.790 -11.422 1.00 0.00 N ATOM 527 CZ ARG A 36 -14.793 0.716 -11.598 1.00 0.00 C ATOM 528 NH1 ARG A 36 -15.395 -0.440 -11.526 1.00 0.00 N ATOM 529 NH2 ARG A 36 -15.481 1.796 -11.848 1.00 0.00 N ATOM 0 H ARG A 36 -9.375 -0.822 -9.650 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.925 -3.327 -10.094 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.907 -0.982 -11.809 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.975 -2.236 -12.406 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.581 -1.613 -10.473 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.567 -0.210 -10.197 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.886 0.323 -12.745 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.165 -0.875 -12.724 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.110 1.516 -10.822 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.856 -1.284 -11.332 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.404 -0.499 -11.663 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.010 2.699 -11.906 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.490 1.738 -11.985 1.00 0.00 H new ATOM 543 N GLN A 37 -7.890 -2.906 -11.283 1.00 0.00 N ATOM 544 CA GLN A 37 -6.747 -3.688 -11.844 1.00 0.00 C ATOM 545 C GLN A 37 -6.301 -4.763 -10.848 1.00 0.00 C ATOM 546 O GLN A 37 -5.776 -5.788 -11.227 1.00 0.00 O ATOM 547 CB GLN A 37 -5.629 -2.663 -12.066 1.00 0.00 C ATOM 548 CG GLN A 37 -5.326 -2.554 -13.563 1.00 0.00 C ATOM 549 CD GLN A 37 -4.277 -3.599 -13.949 1.00 0.00 C ATOM 550 OE1 GLN A 37 -3.126 -3.487 -13.578 1.00 0.00 O ATOM 551 NE2 GLN A 37 -4.629 -4.618 -14.684 1.00 0.00 N ATOM 0 H GLN A 37 -7.706 -1.914 -11.135 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.015 -4.202 -12.767 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.929 -1.691 -11.673 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.733 -2.964 -11.524 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.237 -2.707 -14.141 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.963 -1.554 -13.799 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.596 -4.712 -14.996 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.938 -5.320 -14.947 1.00 0.00 H new ATOM 560 N GLU A 38 -6.513 -4.535 -9.579 1.00 0.00 N ATOM 561 CA GLU A 38 -6.110 -5.540 -8.554 1.00 0.00 C ATOM 562 C GLU A 38 -7.204 -6.595 -8.405 1.00 0.00 C ATOM 563 O GLU A 38 -6.974 -7.771 -8.607 1.00 0.00 O ATOM 564 CB GLU A 38 -5.947 -4.751 -7.254 1.00 0.00 C ATOM 565 CG GLU A 38 -4.968 -5.482 -6.333 1.00 0.00 C ATOM 566 CD GLU A 38 -4.737 -4.651 -5.070 1.00 0.00 C ATOM 567 OE1 GLU A 38 -5.669 -4.516 -4.295 1.00 0.00 O ATOM 568 OE2 GLU A 38 -3.632 -4.163 -4.900 1.00 0.00 O ATOM 0 H GLU A 38 -6.950 -3.692 -9.207 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.192 -6.061 -8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.580 -3.747 -7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.912 -4.639 -6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.364 -6.462 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.023 -5.649 -6.849 1.00 0.00 H new ATOM 575 N GLU A 39 -8.398 -6.180 -8.061 1.00 0.00 N ATOM 576 CA GLU A 39 -9.518 -7.157 -7.908 1.00 0.00 C ATOM 577 C GLU A 39 -9.600 -8.037 -9.155 1.00 0.00 C ATOM 578 O GLU A 39 -9.902 -9.212 -9.083 1.00 0.00 O ATOM 579 CB GLU A 39 -10.779 -6.303 -7.765 1.00 0.00 C ATOM 580 CG GLU A 39 -10.994 -5.950 -6.290 1.00 0.00 C ATOM 581 CD GLU A 39 -12.090 -6.841 -5.704 1.00 0.00 C ATOM 582 OE1 GLU A 39 -13.198 -6.797 -6.213 1.00 0.00 O ATOM 583 OE2 GLU A 39 -11.804 -7.552 -4.755 1.00 0.00 O ATOM 0 H GLU A 39 -8.645 -5.207 -7.880 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.385 -7.818 -7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.684 -5.393 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.643 -6.845 -8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.066 -6.085 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.274 -4.901 -6.194 1.00 0.00 H new ATOM 590 N GLU A 40 -9.311 -7.473 -10.296 1.00 0.00 N ATOM 591 CA GLU A 40 -9.346 -8.268 -11.553 1.00 0.00 C ATOM 592 C GLU A 40 -8.027 -9.026 -11.707 1.00 0.00 C ATOM 593 O GLU A 40 -7.991 -10.138 -12.200 1.00 0.00 O ATOM 594 CB GLU A 40 -9.514 -7.241 -12.673 1.00 0.00 C ATOM 595 CG GLU A 40 -10.208 -7.897 -13.868 1.00 0.00 C ATOM 596 CD GLU A 40 -11.085 -6.865 -14.579 1.00 0.00 C ATOM 597 OE1 GLU A 40 -11.718 -6.080 -13.892 1.00 0.00 O ATOM 598 OE2 GLU A 40 -11.109 -6.877 -15.799 1.00 0.00 O ATOM 0 H GLU A 40 -9.052 -6.493 -10.410 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.150 -9.004 -11.565 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.101 -6.394 -12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.541 -6.852 -12.973 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.466 -8.297 -14.559 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.816 -8.737 -13.533 1.00 0.00 H new ATOM 605 N ALA A 41 -6.939 -8.436 -11.275 1.00 0.00 N ATOM 606 CA ALA A 41 -5.624 -9.133 -11.387 1.00 0.00 C ATOM 607 C ALA A 41 -5.629 -10.388 -10.515 1.00 0.00 C ATOM 608 O ALA A 41 -5.321 -11.473 -10.970 1.00 0.00 O ATOM 609 CB ALA A 41 -4.587 -8.133 -10.874 1.00 0.00 C ATOM 0 H ALA A 41 -6.906 -7.508 -10.853 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.409 -9.445 -12.409 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.594 -8.579 -10.927 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.614 -7.233 -11.489 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.813 -7.873 -9.840 1.00 0.00 H new ATOM 615 N ARG A 42 -5.982 -10.250 -9.265 1.00 0.00 N ATOM 616 CA ARG A 42 -6.012 -11.437 -8.365 1.00 0.00 C ATOM 617 C ARG A 42 -7.069 -12.431 -8.854 1.00 0.00 C ATOM 618 O ARG A 42 -6.938 -13.627 -8.680 1.00 0.00 O ATOM 619 CB ARG A 42 -6.364 -10.887 -6.979 1.00 0.00 C ATOM 620 CG ARG A 42 -7.807 -10.378 -6.961 1.00 0.00 C ATOM 621 CD ARG A 42 -8.180 -9.991 -5.532 1.00 0.00 C ATOM 622 NE ARG A 42 -9.669 -9.975 -5.512 1.00 0.00 N ATOM 623 CZ ARG A 42 -10.328 -11.047 -5.166 1.00 0.00 C ATOM 624 NH1 ARG A 42 -9.972 -11.719 -4.106 1.00 0.00 N ATOM 625 NH2 ARG A 42 -11.344 -11.446 -5.881 1.00 0.00 N ATOM 0 H ARG A 42 -6.250 -9.368 -8.830 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.062 -11.972 -8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.237 -11.666 -6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.682 -10.078 -6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.911 -9.518 -7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.483 -11.149 -7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.784 -10.708 -4.813 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.771 -9.016 -5.268 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.174 -9.127 -5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.178 -11.407 -3.547 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.488 -12.557 -3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.622 -10.920 -6.709 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.860 -12.284 -5.611 1.00 0.00 H new ATOM 639 N ARG A 43 -8.113 -11.946 -9.478 1.00 0.00 N ATOM 640 CA ARG A 43 -9.168 -12.871 -9.990 1.00 0.00 C ATOM 641 C ARG A 43 -8.530 -13.884 -10.939 1.00 0.00 C ATOM 642 O ARG A 43 -8.804 -15.067 -10.880 1.00 0.00 O ATOM 643 CB ARG A 43 -10.156 -11.982 -10.744 1.00 0.00 C ATOM 644 CG ARG A 43 -11.465 -12.742 -10.961 1.00 0.00 C ATOM 645 CD ARG A 43 -12.234 -12.116 -12.127 1.00 0.00 C ATOM 646 NE ARG A 43 -13.663 -12.443 -11.863 1.00 0.00 N ATOM 647 CZ ARG A 43 -14.275 -13.331 -12.597 1.00 0.00 C ATOM 648 NH1 ARG A 43 -14.566 -13.062 -13.841 1.00 0.00 N ATOM 649 NH2 ARG A 43 -14.597 -14.489 -12.088 1.00 0.00 N ATOM 0 H ARG A 43 -8.279 -10.955 -9.654 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.661 -13.427 -9.193 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.343 -11.068 -10.180 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.734 -11.683 -11.703 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.258 -13.791 -11.170 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.070 -12.711 -10.055 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.077 -11.038 -12.171 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.905 -12.525 -13.082 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.163 -11.973 -11.108 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.315 -12.157 -14.239 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -15.044 -13.757 -14.415 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.370 -14.700 -11.116 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.076 -15.183 -12.662 1.00 0.00 H new ATOM 663 N ALA A 44 -7.664 -13.424 -11.802 1.00 0.00 N ATOM 664 CA ALA A 44 -6.986 -14.359 -12.745 1.00 0.00 C ATOM 665 C ALA A 44 -5.986 -15.226 -11.974 1.00 0.00 C ATOM 666 O ALA A 44 -5.638 -16.313 -12.392 1.00 0.00 O ATOM 667 CB ALA A 44 -6.260 -13.461 -13.747 1.00 0.00 C ATOM 0 H ALA A 44 -7.398 -12.444 -11.894 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.684 -15.032 -13.243 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.736 -14.079 -14.476 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.985 -12.829 -14.261 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.542 -12.834 -13.219 1.00 0.00 H new ATOM 673 N ALA A 45 -5.528 -14.750 -10.844 1.00 0.00 N ATOM 674 CA ALA A 45 -4.557 -15.541 -10.032 1.00 0.00 C ATOM 675 C ALA A 45 -5.247 -16.775 -9.445 1.00 0.00 C ATOM 676 O ALA A 45 -4.614 -17.772 -9.156 1.00 0.00 O ATOM 677 CB ALA A 45 -4.107 -14.596 -8.914 1.00 0.00 C ATOM 0 H ALA A 45 -5.786 -13.846 -10.449 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.715 -15.897 -10.626 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.389 -15.107 -8.272 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.639 -13.713 -9.350 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.972 -14.294 -8.323 1.00 0.00 H new ATOM 683 N ALA A 46 -6.541 -16.715 -9.268 1.00 0.00 N ATOM 684 CA ALA A 46 -7.274 -17.885 -8.699 1.00 0.00 C ATOM 685 C ALA A 46 -7.743 -18.814 -9.822 1.00 0.00 C ATOM 686 O ALA A 46 -7.797 -20.017 -9.663 1.00 0.00 O ATOM 687 CB ALA A 46 -8.473 -17.282 -7.967 1.00 0.00 C ATOM 0 H ALA A 46 -7.122 -15.907 -9.493 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.648 -18.481 -8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.065 -18.080 -7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.121 -16.609 -7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.089 -16.726 -8.674 1.00 0.00 H new ATOM 693 N ALA A 47 -8.083 -18.263 -10.957 1.00 0.00 N ATOM 694 CA ALA A 47 -8.550 -19.113 -12.092 1.00 0.00 C ATOM 695 C ALA A 47 -7.369 -19.862 -12.716 1.00 0.00 C ATOM 696 O ALA A 47 -7.531 -20.922 -13.292 1.00 0.00 O ATOM 697 CB ALA A 47 -9.156 -18.134 -13.098 1.00 0.00 C ATOM 0 H ALA A 47 -8.058 -17.261 -11.148 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.270 -19.867 -11.773 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.524 -18.684 -13.965 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.982 -17.598 -12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.395 -17.422 -13.416 1.00 0.00 H new ATOM 703 N SER A 48 -6.186 -19.321 -12.609 1.00 0.00 N ATOM 704 CA SER A 48 -4.995 -20.000 -13.197 1.00 0.00 C ATOM 705 C SER A 48 -4.282 -20.842 -12.135 1.00 0.00 C ATOM 706 O SER A 48 -3.629 -21.820 -12.441 1.00 0.00 O ATOM 707 CB SER A 48 -4.090 -18.866 -13.676 1.00 0.00 C ATOM 708 OG SER A 48 -2.961 -19.415 -14.343 1.00 0.00 O ATOM 0 H SER A 48 -5.992 -18.437 -12.139 1.00 0.00 H new ATOM 0 HA SER A 48 -5.266 -20.677 -14.007 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.639 -18.207 -14.348 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.767 -18.260 -12.829 1.00 0.00 H new ATOM 0 HG SER A 48 -2.379 -18.690 -14.653 1.00 0.00 H new ATOM 714 N ALA A 49 -4.404 -20.467 -10.889 1.00 0.00 N ATOM 715 CA ALA A 49 -3.732 -21.244 -9.807 1.00 0.00 C ATOM 716 C ALA A 49 -4.461 -22.571 -9.575 1.00 0.00 C ATOM 717 O ALA A 49 -3.859 -23.564 -9.219 1.00 0.00 O ATOM 718 CB ALA A 49 -3.826 -20.357 -8.564 1.00 0.00 C ATOM 0 H ALA A 49 -4.939 -19.658 -10.574 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.700 -21.489 -10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.352 -20.860 -7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.319 -19.411 -8.753 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.874 -20.167 -8.331 1.00 0.00 H new ATOM 724 N ALA A 50 -5.752 -22.591 -9.774 1.00 0.00 N ATOM 725 CA ALA A 50 -6.519 -23.854 -9.565 1.00 0.00 C ATOM 726 C ALA A 50 -6.711 -24.596 -10.893 1.00 0.00 C ATOM 727 O ALA A 50 -7.464 -25.548 -10.976 1.00 0.00 O ATOM 728 CB ALA A 50 -7.868 -23.406 -9.003 1.00 0.00 C ATOM 0 H ALA A 50 -6.308 -21.789 -10.072 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.001 -24.541 -8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.494 -24.279 -8.821 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.712 -22.870 -8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.361 -22.749 -9.720 1.00 0.00 H new ATOM 734 N GLU A 51 -6.036 -24.174 -11.931 1.00 0.00 N ATOM 735 CA GLU A 51 -6.185 -24.861 -13.248 1.00 0.00 C ATOM 736 C GLU A 51 -4.849 -25.470 -13.682 1.00 0.00 C ATOM 737 O GLU A 51 -4.806 -26.493 -14.337 1.00 0.00 O ATOM 738 CB GLU A 51 -6.617 -23.765 -14.223 1.00 0.00 C ATOM 739 CG GLU A 51 -8.142 -23.776 -14.361 1.00 0.00 C ATOM 740 CD GLU A 51 -8.563 -22.781 -15.444 1.00 0.00 C ATOM 741 OE1 GLU A 51 -8.385 -23.093 -16.610 1.00 0.00 O ATOM 742 OE2 GLU A 51 -9.057 -21.723 -15.089 1.00 0.00 O ATOM 0 H GLU A 51 -5.390 -23.385 -11.923 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.907 -25.676 -13.207 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.281 -22.792 -13.865 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.152 -23.925 -15.196 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.487 -24.777 -14.618 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.606 -23.513 -13.410 1.00 0.00 H new ATOM 749 N ALA A 52 -3.757 -24.847 -13.322 1.00 0.00 N ATOM 750 CA ALA A 52 -2.423 -25.388 -13.715 1.00 0.00 C ATOM 751 C ALA A 52 -1.679 -25.914 -12.484 1.00 0.00 C ATOM 752 O ALA A 52 -0.848 -26.796 -12.579 1.00 0.00 O ATOM 753 CB ALA A 52 -1.678 -24.199 -14.323 1.00 0.00 C ATOM 0 H ALA A 52 -3.732 -23.988 -12.773 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.506 -26.220 -14.414 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.684 -24.515 -14.639 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.231 -23.826 -15.185 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.588 -23.407 -13.579 1.00 0.00 H new ATOM 759 N GLY A 53 -1.971 -25.378 -11.329 1.00 0.00 N ATOM 760 CA GLY A 53 -1.281 -25.844 -10.091 1.00 0.00 C ATOM 761 C GLY A 53 -2.064 -26.999 -9.462 1.00 0.00 C ATOM 762 O GLY A 53 -1.541 -27.750 -8.662 1.00 0.00 O ATOM 0 H GLY A 53 -2.658 -24.637 -11.189 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.267 -26.167 -10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.195 -25.022 -9.381 1.00 0.00 H new ATOM 882 N ASP A 63 14.897 -32.678 -9.738 1.00 0.00 N ATOM 883 CA ASP A 63 15.058 -31.670 -8.648 1.00 0.00 C ATOM 884 C ASP A 63 15.875 -30.476 -9.149 1.00 0.00 C ATOM 885 O ASP A 63 15.675 -29.351 -8.728 1.00 0.00 O ATOM 886 CB ASP A 63 15.808 -32.403 -7.534 1.00 0.00 C ATOM 887 CG ASP A 63 14.802 -33.048 -6.579 1.00 0.00 C ATOM 888 OD1 ASP A 63 14.305 -32.348 -5.712 1.00 0.00 O ATOM 889 OD2 ASP A 63 14.546 -34.231 -6.731 1.00 0.00 O ATOM 0 HA ASP A 63 14.101 -31.279 -8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.460 -33.165 -7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.446 -31.706 -6.991 1.00 0.00 H new ATOM 894 N ASP A 64 16.788 -30.708 -10.055 1.00 0.00 N ATOM 895 CA ASP A 64 17.604 -29.584 -10.585 1.00 0.00 C ATOM 896 C ASP A 64 16.758 -28.763 -11.548 1.00 0.00 C ATOM 897 O ASP A 64 16.962 -27.576 -11.707 1.00 0.00 O ATOM 898 CB ASP A 64 18.779 -30.229 -11.316 1.00 0.00 C ATOM 899 CG ASP A 64 19.558 -31.124 -10.350 1.00 0.00 C ATOM 900 OD1 ASP A 64 19.829 -30.678 -9.247 1.00 0.00 O ATOM 901 OD2 ASP A 64 19.872 -32.241 -10.730 1.00 0.00 O ATOM 0 H ASP A 64 17.001 -31.625 -10.448 1.00 0.00 H new ATOM 0 HA ASP A 64 17.954 -28.917 -9.797 1.00 0.00 H new ATOM 0 HB2 ASP A 64 18.417 -30.817 -12.160 1.00 0.00 H new ATOM 0 HB3 ASP A 64 19.434 -29.459 -11.722 1.00 0.00 H new ATOM 906 N ALA A 65 15.797 -29.380 -12.184 1.00 0.00 N ATOM 907 CA ALA A 65 14.931 -28.619 -13.121 1.00 0.00 C ATOM 908 C ALA A 65 14.170 -27.559 -12.333 1.00 0.00 C ATOM 909 O ALA A 65 14.056 -26.423 -12.745 1.00 0.00 O ATOM 910 CB ALA A 65 13.966 -29.637 -13.723 1.00 0.00 C ATOM 0 H ALA A 65 15.578 -30.372 -12.094 1.00 0.00 H new ATOM 0 HA ALA A 65 15.500 -28.117 -13.903 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.299 -29.136 -14.424 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.531 -30.408 -14.247 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.378 -30.095 -12.928 1.00 0.00 H new ATOM 916 N LEU A 66 13.670 -27.920 -11.181 1.00 0.00 N ATOM 917 CA LEU A 66 12.944 -26.926 -10.345 1.00 0.00 C ATOM 918 C LEU A 66 13.931 -25.846 -9.905 1.00 0.00 C ATOM 919 O LEU A 66 13.575 -24.699 -9.716 1.00 0.00 O ATOM 920 CB LEU A 66 12.426 -27.716 -9.137 1.00 0.00 C ATOM 921 CG LEU A 66 10.955 -27.368 -8.886 1.00 0.00 C ATOM 922 CD1 LEU A 66 10.071 -28.542 -9.311 1.00 0.00 C ATOM 923 CD2 LEU A 66 10.744 -27.089 -7.395 1.00 0.00 C ATOM 0 H LEU A 66 13.734 -28.858 -10.786 1.00 0.00 H new ATOM 0 HA LEU A 66 12.126 -26.436 -10.873 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.531 -28.786 -9.317 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.021 -27.482 -8.254 1.00 0.00 H new ATOM 0 HG LEU A 66 10.689 -26.484 -9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.025 -28.293 -9.132 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.220 -28.744 -10.372 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.338 -29.426 -8.732 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.698 -26.841 -7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.011 -27.974 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.372 -26.253 -7.089 1.00 0.00 H new ATOM 935 N LEU A 67 15.179 -26.209 -9.754 1.00 0.00 N ATOM 936 CA LEU A 67 16.210 -25.213 -9.342 1.00 0.00 C ATOM 937 C LEU A 67 16.584 -24.322 -10.532 1.00 0.00 C ATOM 938 O LEU A 67 16.751 -23.125 -10.397 1.00 0.00 O ATOM 939 CB LEU A 67 17.414 -26.053 -8.904 1.00 0.00 C ATOM 940 CG LEU A 67 18.516 -25.134 -8.366 1.00 0.00 C ATOM 941 CD1 LEU A 67 19.002 -25.653 -7.012 1.00 0.00 C ATOM 942 CD2 LEU A 67 19.688 -25.110 -9.351 1.00 0.00 C ATOM 0 H LEU A 67 15.528 -27.156 -9.899 1.00 0.00 H new ATOM 0 HA LEU A 67 15.859 -24.555 -8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 67 17.113 -26.765 -8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.790 -26.634 -9.746 1.00 0.00 H new ATOM 0 HG LEU A 67 18.119 -24.126 -8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 67 19.786 -24.998 -6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 67 18.169 -25.670 -6.309 1.00 0.00 H new ATOM 0 HD13 LEU A 67 19.398 -26.662 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.472 -24.456 -8.968 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.083 -26.119 -9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.345 -24.738 -10.316 1.00 0.00 H new ATOM 954 N LYS A 68 16.714 -24.902 -11.696 1.00 0.00 N ATOM 955 CA LYS A 68 17.078 -24.100 -12.899 1.00 0.00 C ATOM 956 C LYS A 68 15.854 -23.350 -13.427 1.00 0.00 C ATOM 957 O LYS A 68 15.888 -22.153 -13.616 1.00 0.00 O ATOM 958 CB LYS A 68 17.565 -25.124 -13.927 1.00 0.00 C ATOM 959 CG LYS A 68 18.797 -25.848 -13.384 1.00 0.00 C ATOM 960 CD LYS A 68 20.063 -25.121 -13.845 1.00 0.00 C ATOM 961 CE LYS A 68 21.279 -25.697 -13.116 1.00 0.00 C ATOM 962 NZ LYS A 68 21.374 -27.110 -13.580 1.00 0.00 N ATOM 0 H LYS A 68 16.583 -25.899 -11.865 1.00 0.00 H new ATOM 0 HA LYS A 68 17.838 -23.350 -12.679 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.774 -25.842 -14.143 1.00 0.00 H new ATOM 0 HB3 LYS A 68 17.808 -24.625 -14.865 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.761 -25.882 -12.295 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.809 -26.880 -13.735 1.00 0.00 H new ATOM 0 HD2 LYS A 68 20.186 -25.231 -14.922 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.976 -24.054 -13.642 1.00 0.00 H new ATOM 0 HE2 LYS A 68 22.184 -25.140 -13.358 1.00 0.00 H new ATOM 0 HE3 LYS A 68 21.152 -25.644 -12.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 22.340 -27.462 -13.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.702 -27.697 -13.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 21.146 -27.159 -14.593 1.00 0.00 H new ATOM 976 N MET A 69 14.772 -24.045 -13.669 1.00 0.00 N ATOM 977 CA MET A 69 13.547 -23.363 -14.187 1.00 0.00 C ATOM 978 C MET A 69 13.177 -22.169 -13.297 1.00 0.00 C ATOM 979 O MET A 69 12.790 -21.121 -13.778 1.00 0.00 O ATOM 980 CB MET A 69 12.449 -24.426 -14.135 1.00 0.00 C ATOM 981 CG MET A 69 11.169 -23.868 -14.759 1.00 0.00 C ATOM 982 SD MET A 69 11.261 -24.022 -16.560 1.00 0.00 S ATOM 983 CE MET A 69 9.741 -24.976 -16.784 1.00 0.00 C ATOM 0 H MET A 69 14.683 -25.052 -13.531 1.00 0.00 H new ATOM 0 HA MET A 69 13.693 -22.972 -15.194 1.00 0.00 H new ATOM 0 HB2 MET A 69 12.768 -25.320 -14.671 1.00 0.00 H new ATOM 0 HB3 MET A 69 12.264 -24.722 -13.103 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.301 -24.409 -14.381 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.040 -22.823 -14.479 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.597 -25.188 -17.844 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.816 -25.914 -16.234 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.893 -24.402 -16.410 1.00 0.00 H new ATOM 993 N THR A 70 13.293 -22.322 -12.004 1.00 0.00 N ATOM 994 CA THR A 70 12.945 -21.198 -11.082 1.00 0.00 C ATOM 995 C THR A 70 13.928 -20.037 -11.258 1.00 0.00 C ATOM 996 O THR A 70 13.532 -18.889 -11.334 1.00 0.00 O ATOM 997 CB THR A 70 13.049 -21.788 -9.672 1.00 0.00 C ATOM 998 OG1 THR A 70 12.064 -22.798 -9.514 1.00 0.00 O ATOM 999 CG2 THR A 70 12.822 -20.689 -8.632 1.00 0.00 C ATOM 0 H THR A 70 13.613 -23.175 -11.546 1.00 0.00 H new ATOM 0 HA THR A 70 11.951 -20.798 -11.281 1.00 0.00 H new ATOM 0 HB THR A 70 14.042 -22.216 -9.531 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.501 -23.655 -9.329 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.897 -21.114 -7.631 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.576 -19.912 -8.754 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.831 -20.257 -8.769 1.00 0.00 H new ATOM 1007 N ILE A 71 15.201 -20.320 -11.323 1.00 0.00 N ATOM 1008 CA ILE A 71 16.193 -19.223 -11.493 1.00 0.00 C ATOM 1009 C ILE A 71 16.272 -18.800 -12.964 1.00 0.00 C ATOM 1010 O ILE A 71 16.781 -17.746 -13.290 1.00 0.00 O ATOM 1011 CB ILE A 71 17.524 -19.808 -10.997 1.00 0.00 C ATOM 1012 CG1 ILE A 71 18.397 -18.672 -10.462 1.00 0.00 C ATOM 1013 CG2 ILE A 71 18.259 -20.523 -12.137 1.00 0.00 C ATOM 1014 CD1 ILE A 71 17.762 -18.096 -9.194 1.00 0.00 C ATOM 0 H ILE A 71 15.594 -21.259 -11.266 1.00 0.00 H new ATOM 0 HA ILE A 71 15.925 -18.326 -10.936 1.00 0.00 H new ATOM 0 HB ILE A 71 17.322 -20.532 -10.208 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.399 -19.041 -10.245 1.00 0.00 H new ATOM 0 HG13 ILE A 71 18.501 -17.892 -11.216 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.199 -20.930 -11.765 1.00 0.00 H new ATOM 0 HG22 ILE A 71 17.638 -21.334 -12.518 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.463 -19.814 -12.939 1.00 0.00 H new ATOM 0 HD11 ILE A 71 18.383 -17.286 -8.812 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.769 -17.712 -9.427 1.00 0.00 H new ATOM 0 HD13 ILE A 71 17.681 -18.879 -8.440 1.00 0.00 H new ATOM 1026 N SER A 72 15.766 -19.614 -13.852 1.00 0.00 N ATOM 1027 CA SER A 72 15.807 -19.258 -15.298 1.00 0.00 C ATOM 1028 C SER A 72 14.843 -18.103 -15.570 1.00 0.00 C ATOM 1029 O SER A 72 15.163 -17.168 -16.278 1.00 0.00 O ATOM 1030 CB SER A 72 15.358 -20.521 -16.034 1.00 0.00 C ATOM 1031 OG SER A 72 16.469 -21.395 -16.186 1.00 0.00 O ATOM 0 H SER A 72 15.327 -20.509 -13.638 1.00 0.00 H new ATOM 0 HA SER A 72 16.797 -18.936 -15.622 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.563 -21.017 -15.477 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.949 -20.261 -17.010 1.00 0.00 H new ATOM 0 HG SER A 72 16.628 -21.871 -15.344 1.00 0.00 H new ATOM 1037 N GLN A 73 13.666 -18.159 -15.005 1.00 0.00 N ATOM 1038 CA GLN A 73 12.680 -17.061 -15.221 1.00 0.00 C ATOM 1039 C GLN A 73 13.017 -15.876 -14.313 1.00 0.00 C ATOM 1040 O GLN A 73 12.733 -14.737 -14.631 1.00 0.00 O ATOM 1041 CB GLN A 73 11.326 -17.661 -14.842 1.00 0.00 C ATOM 1042 CG GLN A 73 10.852 -18.595 -15.957 1.00 0.00 C ATOM 1043 CD GLN A 73 9.325 -18.559 -16.038 1.00 0.00 C ATOM 1044 OE1 GLN A 73 8.763 -18.532 -17.114 1.00 0.00 O ATOM 1045 NE2 GLN A 73 8.625 -18.556 -14.936 1.00 0.00 N ATOM 0 H GLN A 73 13.345 -18.918 -14.403 1.00 0.00 H new ATOM 0 HA GLN A 73 12.685 -16.692 -16.247 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.409 -18.210 -13.904 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.596 -16.867 -14.683 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.285 -18.290 -16.910 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.193 -19.612 -15.763 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.097 -18.579 -14.032 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.606 -18.531 -14.979 1.00 0.00 H new ATOM 1054 N GLN A 74 13.626 -16.137 -13.186 1.00 0.00 N ATOM 1055 CA GLN A 74 13.989 -15.027 -12.257 1.00 0.00 C ATOM 1056 C GLN A 74 15.237 -14.304 -12.770 1.00 0.00 C ATOM 1057 O GLN A 74 15.333 -13.094 -12.712 1.00 0.00 O ATOM 1058 CB GLN A 74 14.272 -15.705 -10.913 1.00 0.00 C ATOM 1059 CG GLN A 74 13.270 -15.212 -9.867 1.00 0.00 C ATOM 1060 CD GLN A 74 11.866 -15.698 -10.234 1.00 0.00 C ATOM 1061 OE1 GLN A 74 10.947 -14.911 -10.343 1.00 0.00 O ATOM 1062 NE2 GLN A 74 11.661 -16.972 -10.431 1.00 0.00 N ATOM 0 H GLN A 74 13.887 -17.071 -12.869 1.00 0.00 H new ATOM 0 HA GLN A 74 13.199 -14.281 -12.173 1.00 0.00 H new ATOM 0 HB2 GLN A 74 14.200 -16.788 -11.018 1.00 0.00 H new ATOM 0 HB3 GLN A 74 15.289 -15.483 -10.590 1.00 0.00 H new ATOM 0 HG2 GLN A 74 13.548 -15.582 -8.880 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.288 -14.123 -9.816 1.00 0.00 H new ATOM 0 HE21 GLN A 74 12.433 -17.633 -10.340 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.729 -17.307 -10.676 1.00 0.00 H new ATOM 1203 N LEU A 84 30.287 -3.526 -10.148 1.00 0.00 N ATOM 1204 CA LEU A 84 31.639 -3.101 -10.615 1.00 0.00 C ATOM 1205 C LEU A 84 32.724 -3.698 -9.712 1.00 0.00 C ATOM 1206 O LEU A 84 33.869 -3.818 -10.101 1.00 0.00 O ATOM 1207 CB LEU A 84 31.636 -1.575 -10.511 1.00 0.00 C ATOM 1208 CG LEU A 84 30.586 -1.001 -11.466 1.00 0.00 C ATOM 1209 CD1 LEU A 84 30.231 0.424 -11.039 1.00 0.00 C ATOM 1210 CD2 LEU A 84 31.150 -0.981 -12.888 1.00 0.00 C ATOM 0 HA LEU A 84 31.848 -3.439 -11.630 1.00 0.00 H new ATOM 0 HB2 LEU A 84 31.418 -1.270 -9.488 1.00 0.00 H new ATOM 0 HB3 LEU A 84 32.622 -1.181 -10.758 1.00 0.00 H new ATOM 0 HG LEU A 84 29.690 -1.622 -11.437 1.00 0.00 H new ATOM 0 HD11 LEU A 84 29.483 0.832 -11.719 1.00 0.00 H new ATOM 0 HD12 LEU A 84 29.831 0.411 -10.025 1.00 0.00 H new ATOM 0 HD13 LEU A 84 31.126 1.046 -11.068 1.00 0.00 H new ATOM 0 HD21 LEU A 84 30.404 -0.573 -13.570 1.00 0.00 H new ATOM 0 HD22 LEU A 84 32.045 -0.360 -12.916 1.00 0.00 H new ATOM 0 HD23 LEU A 84 31.403 -1.996 -13.193 1.00 0.00 H new ATOM 1222 N SER A 85 32.371 -4.074 -8.510 1.00 0.00 N ATOM 1223 CA SER A 85 33.383 -4.664 -7.582 1.00 0.00 C ATOM 1224 C SER A 85 34.010 -5.915 -8.204 1.00 0.00 C ATOM 1225 O SER A 85 35.112 -6.301 -7.864 1.00 0.00 O ATOM 1226 CB SER A 85 32.599 -5.029 -6.320 1.00 0.00 C ATOM 1227 OG SER A 85 32.726 -3.980 -5.369 1.00 0.00 O ATOM 0 H SER A 85 31.427 -3.998 -8.131 1.00 0.00 H new ATOM 0 HA SER A 85 34.199 -3.973 -7.370 1.00 0.00 H new ATOM 0 HB2 SER A 85 31.549 -5.189 -6.564 1.00 0.00 H new ATOM 0 HB3 SER A 85 32.975 -5.963 -5.901 1.00 0.00 H new ATOM 0 HG SER A 85 32.223 -4.210 -4.560 1.00 0.00 H new ATOM 1233 N SER A 86 33.320 -6.551 -9.113 1.00 0.00 N ATOM 1234 CA SER A 86 33.877 -7.776 -9.757 1.00 0.00 C ATOM 1235 C SER A 86 34.549 -7.419 -11.087 1.00 0.00 C ATOM 1236 O SER A 86 34.622 -8.227 -11.991 1.00 0.00 O ATOM 1237 CB SER A 86 32.671 -8.682 -9.993 1.00 0.00 C ATOM 1238 OG SER A 86 31.616 -7.921 -10.566 1.00 0.00 O ATOM 0 H SER A 86 32.393 -6.275 -9.438 1.00 0.00 H new ATOM 0 HA SER A 86 34.635 -8.258 -9.139 1.00 0.00 H new ATOM 0 HB2 SER A 86 32.943 -9.504 -10.655 1.00 0.00 H new ATOM 0 HB3 SER A 86 32.345 -9.126 -9.052 1.00 0.00 H new ATOM 0 HG SER A 86 30.841 -8.501 -10.720 1.00 0.00 H new ATOM 1244 N MET A 87 35.039 -6.213 -11.209 1.00 0.00 N ATOM 1245 CA MET A 87 35.707 -5.802 -12.479 1.00 0.00 C ATOM 1246 C MET A 87 37.106 -5.255 -12.185 1.00 0.00 C ATOM 1247 O MET A 87 37.381 -4.776 -11.103 1.00 0.00 O ATOM 1248 CB MET A 87 34.813 -4.702 -13.057 1.00 0.00 C ATOM 1249 CG MET A 87 33.921 -5.287 -14.159 1.00 0.00 C ATOM 1250 SD MET A 87 32.179 -5.083 -13.709 1.00 0.00 S ATOM 1251 CE MET A 87 31.767 -3.834 -14.952 1.00 0.00 C ATOM 0 H MET A 87 35.005 -5.496 -10.485 1.00 0.00 H new ATOM 0 HA MET A 87 35.829 -6.635 -13.171 1.00 0.00 H new ATOM 0 HB2 MET A 87 34.197 -4.269 -12.269 1.00 0.00 H new ATOM 0 HB3 MET A 87 35.426 -3.897 -13.461 1.00 0.00 H new ATOM 0 HG2 MET A 87 34.122 -4.787 -15.106 1.00 0.00 H new ATOM 0 HG3 MET A 87 34.148 -6.344 -14.301 1.00 0.00 H new ATOM 0 HE1 MET A 87 30.763 -3.453 -14.766 1.00 0.00 H new ATOM 0 HE2 MET A 87 32.483 -3.014 -14.895 1.00 0.00 H new ATOM 0 HE3 MET A 87 31.807 -4.282 -15.945 1.00 0.00 H new ATOM 1261 N THR A 88 37.993 -5.325 -13.143 1.00 0.00 N ATOM 1262 CA THR A 88 39.377 -4.810 -12.920 1.00 0.00 C ATOM 1263 C THR A 88 39.417 -3.293 -13.125 1.00 0.00 C ATOM 1264 O THR A 88 38.479 -2.700 -13.624 1.00 0.00 O ATOM 1265 CB THR A 88 40.244 -5.511 -13.969 1.00 0.00 C ATOM 1266 OG1 THR A 88 39.847 -5.093 -15.269 1.00 0.00 O ATOM 1267 CG2 THR A 88 40.086 -7.028 -13.844 1.00 0.00 C ATOM 0 H THR A 88 37.820 -5.716 -14.069 1.00 0.00 H new ATOM 0 HA THR A 88 39.727 -5.007 -11.907 1.00 0.00 H new ATOM 0 HB THR A 88 41.289 -5.247 -13.807 1.00 0.00 H new ATOM 0 HG1 THR A 88 39.148 -5.691 -15.606 1.00 0.00 H new ATOM 0 HG21 THR A 88 40.705 -7.521 -14.593 1.00 0.00 H new ATOM 0 HG22 THR A 88 40.398 -7.346 -12.849 1.00 0.00 H new ATOM 0 HG23 THR A 88 39.042 -7.299 -14.001 1.00 0.00 H new ATOM 1275 N GLU A 89 40.497 -2.663 -12.744 1.00 0.00 N ATOM 1276 CA GLU A 89 40.603 -1.183 -12.917 1.00 0.00 C ATOM 1277 C GLU A 89 40.408 -0.808 -14.389 1.00 0.00 C ATOM 1278 O GLU A 89 39.937 0.265 -14.708 1.00 0.00 O ATOM 1279 CB GLU A 89 42.016 -0.821 -12.449 1.00 0.00 C ATOM 1280 CG GLU A 89 43.051 -1.576 -13.288 1.00 0.00 C ATOM 1281 CD GLU A 89 44.265 -1.912 -12.419 1.00 0.00 C ATOM 1282 OE1 GLU A 89 44.065 -2.395 -11.317 1.00 0.00 O ATOM 1283 OE2 GLU A 89 45.374 -1.678 -12.871 1.00 0.00 O ATOM 0 H GLU A 89 41.311 -3.109 -12.320 1.00 0.00 H new ATOM 0 HA GLU A 89 39.842 -0.647 -12.350 1.00 0.00 H new ATOM 0 HB2 GLU A 89 42.175 0.254 -12.540 1.00 0.00 H new ATOM 0 HB3 GLU A 89 42.135 -1.073 -11.395 1.00 0.00 H new ATOM 0 HG2 GLU A 89 42.613 -2.490 -13.689 1.00 0.00 H new ATOM 0 HG3 GLU A 89 43.357 -0.969 -14.140 1.00 0.00 H new ATOM 1290 N GLU A 90 40.763 -1.690 -15.288 1.00 0.00 N ATOM 1291 CA GLU A 90 40.592 -1.386 -16.738 1.00 0.00 C ATOM 1292 C GLU A 90 39.136 -1.616 -17.149 1.00 0.00 C ATOM 1293 O GLU A 90 38.583 -0.882 -17.945 1.00 0.00 O ATOM 1294 CB GLU A 90 41.514 -2.360 -17.469 1.00 0.00 C ATOM 1295 CG GLU A 90 42.960 -2.147 -17.009 1.00 0.00 C ATOM 1296 CD GLU A 90 43.648 -3.503 -16.837 1.00 0.00 C ATOM 1297 OE1 GLU A 90 43.057 -4.369 -16.214 1.00 0.00 O ATOM 1298 OE2 GLU A 90 44.752 -3.652 -17.332 1.00 0.00 O ATOM 0 H GLU A 90 41.163 -2.605 -15.080 1.00 0.00 H new ATOM 0 HA GLU A 90 40.836 -0.350 -16.973 1.00 0.00 H new ATOM 0 HB2 GLU A 90 41.206 -3.386 -17.269 1.00 0.00 H new ATOM 0 HB3 GLU A 90 41.439 -2.208 -18.546 1.00 0.00 H new ATOM 0 HG2 GLU A 90 43.500 -1.544 -17.739 1.00 0.00 H new ATOM 0 HG3 GLU A 90 42.976 -1.598 -16.068 1.00 0.00 H new ATOM 1305 N GLU A 91 38.509 -2.630 -16.608 1.00 0.00 N ATOM 1306 CA GLU A 91 37.083 -2.905 -16.965 1.00 0.00 C ATOM 1307 C GLU A 91 36.235 -1.655 -16.712 1.00 0.00 C ATOM 1308 O GLU A 91 35.661 -1.088 -17.622 1.00 0.00 O ATOM 1309 CB GLU A 91 36.648 -4.046 -16.040 1.00 0.00 C ATOM 1310 CG GLU A 91 36.276 -5.272 -16.879 1.00 0.00 C ATOM 1311 CD GLU A 91 37.517 -5.792 -17.605 1.00 0.00 C ATOM 1312 OE1 GLU A 91 38.412 -6.279 -16.935 1.00 0.00 O ATOM 1313 OE2 GLU A 91 37.552 -5.694 -18.821 1.00 0.00 O ATOM 0 H GLU A 91 38.921 -3.278 -15.936 1.00 0.00 H new ATOM 0 HA GLU A 91 36.962 -3.171 -18.015 1.00 0.00 H new ATOM 0 HB2 GLU A 91 37.454 -4.296 -15.350 1.00 0.00 H new ATOM 0 HB3 GLU A 91 35.796 -3.734 -15.436 1.00 0.00 H new ATOM 0 HG2 GLU A 91 35.863 -6.052 -16.239 1.00 0.00 H new ATOM 0 HG3 GLU A 91 35.503 -5.010 -17.601 1.00 0.00 H new ATOM 1320 N GLN A 92 36.168 -1.212 -15.484 1.00 0.00 N ATOM 1321 CA GLN A 92 35.372 0.012 -15.176 1.00 0.00 C ATOM 1322 C GLN A 92 35.918 1.193 -15.983 1.00 0.00 C ATOM 1323 O GLN A 92 35.204 2.120 -16.312 1.00 0.00 O ATOM 1324 CB GLN A 92 35.562 0.248 -13.677 1.00 0.00 C ATOM 1325 CG GLN A 92 34.979 -0.932 -12.896 1.00 0.00 C ATOM 1326 CD GLN A 92 35.025 -0.627 -11.398 1.00 0.00 C ATOM 1327 OE1 GLN A 92 34.822 0.498 -10.989 1.00 0.00 O ATOM 1328 NE2 GLN A 92 35.284 -1.591 -10.557 1.00 0.00 N ATOM 0 H GLN A 92 36.629 -1.644 -14.683 1.00 0.00 H new ATOM 0 HA GLN A 92 34.318 -0.098 -15.432 1.00 0.00 H new ATOM 0 HB2 GLN A 92 36.621 0.362 -13.447 1.00 0.00 H new ATOM 0 HB3 GLN A 92 35.070 1.174 -13.379 1.00 0.00 H new ATOM 0 HG2 GLN A 92 33.951 -1.116 -13.209 1.00 0.00 H new ATOM 0 HG3 GLN A 92 35.545 -1.839 -13.111 1.00 0.00 H new ATOM 0 HE21 GLN A 92 35.454 -2.536 -10.901 1.00 0.00 H new ATOM 0 HE22 GLN A 92 35.316 -1.399 -9.556 1.00 0.00 H new ATOM 1337 N ILE A 93 37.183 1.152 -16.312 1.00 0.00 N ATOM 1338 CA ILE A 93 37.788 2.259 -17.108 1.00 0.00 C ATOM 1339 C ILE A 93 37.208 2.246 -18.527 1.00 0.00 C ATOM 1340 O ILE A 93 36.835 3.271 -19.062 1.00 0.00 O ATOM 1341 CB ILE A 93 39.299 1.965 -17.106 1.00 0.00 C ATOM 1342 CG1 ILE A 93 39.995 2.932 -16.143 1.00 0.00 C ATOM 1343 CG2 ILE A 93 39.887 2.134 -18.514 1.00 0.00 C ATOM 1344 CD1 ILE A 93 41.495 2.638 -16.108 1.00 0.00 C ATOM 0 H ILE A 93 37.823 0.398 -16.063 1.00 0.00 H new ATOM 0 HA ILE A 93 37.581 3.247 -16.698 1.00 0.00 H new ATOM 0 HB ILE A 93 39.458 0.935 -16.786 1.00 0.00 H new ATOM 0 HG12 ILE A 93 39.824 3.961 -16.460 1.00 0.00 H new ATOM 0 HG13 ILE A 93 39.572 2.832 -15.143 1.00 0.00 H new ATOM 0 HG21 ILE A 93 40.956 1.921 -18.490 1.00 0.00 H new ATOM 0 HG22 ILE A 93 39.395 1.443 -19.199 1.00 0.00 H new ATOM 0 HG23 ILE A 93 39.728 3.157 -18.854 1.00 0.00 H new ATOM 0 HD11 ILE A 93 41.985 3.329 -15.422 1.00 0.00 H new ATOM 0 HD12 ILE A 93 41.657 1.614 -15.770 1.00 0.00 H new ATOM 0 HD13 ILE A 93 41.913 2.761 -17.107 1.00 0.00 H new ATOM 1356 N ALA A 94 37.122 1.092 -19.134 1.00 0.00 N ATOM 1357 CA ALA A 94 36.557 1.015 -20.514 1.00 0.00 C ATOM 1358 C ALA A 94 35.136 1.581 -20.519 1.00 0.00 C ATOM 1359 O ALA A 94 34.703 2.195 -21.474 1.00 0.00 O ATOM 1360 CB ALA A 94 36.544 -0.475 -20.860 1.00 0.00 C ATOM 0 H ALA A 94 37.418 0.201 -18.735 1.00 0.00 H new ATOM 0 HA ALA A 94 37.138 1.589 -21.236 1.00 0.00 H new ATOM 0 HB1 ALA A 94 36.140 -0.612 -21.863 1.00 0.00 H new ATOM 0 HB2 ALA A 94 37.561 -0.866 -20.821 1.00 0.00 H new ATOM 0 HB3 ALA A 94 35.922 -1.010 -20.142 1.00 0.00 H new ATOM 1366 N TYR A 95 34.412 1.383 -19.450 1.00 0.00 N ATOM 1367 CA TYR A 95 33.023 1.912 -19.374 1.00 0.00 C ATOM 1368 C TYR A 95 33.044 3.382 -18.944 1.00 0.00 C ATOM 1369 O TYR A 95 32.153 4.145 -19.263 1.00 0.00 O ATOM 1370 CB TYR A 95 32.332 1.053 -18.317 1.00 0.00 C ATOM 1371 CG TYR A 95 30.841 1.075 -18.546 1.00 0.00 C ATOM 1372 CD1 TYR A 95 30.321 0.718 -19.796 1.00 0.00 C ATOM 1373 CD2 TYR A 95 29.980 1.453 -17.510 1.00 0.00 C ATOM 1374 CE1 TYR A 95 28.939 0.741 -20.011 1.00 0.00 C ATOM 1375 CE2 TYR A 95 28.596 1.476 -17.725 1.00 0.00 C ATOM 1376 CZ TYR A 95 28.075 1.119 -18.975 1.00 0.00 C ATOM 1377 OH TYR A 95 26.711 1.142 -19.186 1.00 0.00 O ATOM 0 H TYR A 95 34.726 0.875 -18.623 1.00 0.00 H new ATOM 0 HA TYR A 95 32.508 1.868 -20.334 1.00 0.00 H new ATOM 0 HB2 TYR A 95 32.703 0.029 -18.366 1.00 0.00 H new ATOM 0 HB3 TYR A 95 32.563 1.429 -17.320 1.00 0.00 H new ATOM 0 HD1 TYR A 95 30.987 0.425 -20.594 1.00 0.00 H new ATOM 0 HD2 TYR A 95 30.382 1.727 -16.546 1.00 0.00 H new ATOM 0 HE1 TYR A 95 28.538 0.467 -20.976 1.00 0.00 H new ATOM 0 HE2 TYR A 95 27.930 1.769 -16.927 1.00 0.00 H new ATOM 0 HH TYR A 95 26.258 1.425 -18.365 1.00 0.00 H new ATOM 1387 N ALA A 96 34.059 3.784 -18.224 1.00 0.00 N ATOM 1388 CA ALA A 96 34.143 5.203 -17.773 1.00 0.00 C ATOM 1389 C ALA A 96 34.654 6.089 -18.914 1.00 0.00 C ATOM 1390 O ALA A 96 34.241 7.223 -19.064 1.00 0.00 O ATOM 1391 CB ALA A 96 35.139 5.195 -16.613 1.00 0.00 C ATOM 0 H ALA A 96 34.834 3.189 -17.929 1.00 0.00 H new ATOM 0 HA ALA A 96 33.173 5.598 -17.472 1.00 0.00 H new ATOM 0 HB1 ALA A 96 35.255 6.207 -16.226 1.00 0.00 H new ATOM 0 HB2 ALA A 96 34.770 4.544 -15.821 1.00 0.00 H new ATOM 0 HB3 ALA A 96 36.104 4.828 -16.964 1.00 0.00 H new ATOM 1397 N MET A 97 35.540 5.576 -19.726 1.00 0.00 N ATOM 1398 CA MET A 97 36.067 6.384 -20.861 1.00 0.00 C ATOM 1399 C MET A 97 35.044 6.392 -21.996 1.00 0.00 C ATOM 1400 O MET A 97 34.996 7.304 -22.797 1.00 0.00 O ATOM 1401 CB MET A 97 37.350 5.673 -21.297 1.00 0.00 C ATOM 1402 CG MET A 97 38.401 5.791 -20.191 1.00 0.00 C ATOM 1403 SD MET A 97 40.054 5.816 -20.926 1.00 0.00 S ATOM 1404 CE MET A 97 39.955 4.214 -21.764 1.00 0.00 C ATOM 0 H MET A 97 35.921 4.633 -19.651 1.00 0.00 H new ATOM 0 HA MET A 97 36.258 7.421 -20.586 1.00 0.00 H new ATOM 0 HB2 MET A 97 37.143 4.623 -21.506 1.00 0.00 H new ATOM 0 HB3 MET A 97 37.727 6.114 -22.220 1.00 0.00 H new ATOM 0 HG2 MET A 97 38.235 6.700 -19.613 1.00 0.00 H new ATOM 0 HG3 MET A 97 38.312 4.953 -19.500 1.00 0.00 H new ATOM 0 HE1 MET A 97 40.961 3.831 -21.937 1.00 0.00 H new ATOM 0 HE2 MET A 97 39.402 3.511 -21.141 1.00 0.00 H new ATOM 0 HE3 MET A 97 39.443 4.334 -22.719 1.00 0.00 H new ATOM 1414 N GLN A 98 34.219 5.380 -22.061 1.00 0.00 N ATOM 1415 CA GLN A 98 33.191 5.326 -23.136 1.00 0.00 C ATOM 1416 C GLN A 98 32.047 6.286 -22.808 1.00 0.00 C ATOM 1417 O GLN A 98 31.424 6.851 -23.686 1.00 0.00 O ATOM 1418 CB GLN A 98 32.697 3.879 -23.146 1.00 0.00 C ATOM 1419 CG GLN A 98 33.528 3.061 -24.136 1.00 0.00 C ATOM 1420 CD GLN A 98 33.159 1.582 -24.013 1.00 0.00 C ATOM 1421 OE1 GLN A 98 32.762 1.129 -22.959 1.00 0.00 O ATOM 1422 NE2 GLN A 98 33.276 0.804 -25.055 1.00 0.00 N ATOM 0 H GLN A 98 34.214 4.590 -21.416 1.00 0.00 H new ATOM 0 HA GLN A 98 33.588 5.621 -24.107 1.00 0.00 H new ATOM 0 HB2 GLN A 98 32.776 3.450 -22.147 1.00 0.00 H new ATOM 0 HB3 GLN A 98 31.644 3.845 -23.425 1.00 0.00 H new ATOM 0 HG2 GLN A 98 33.347 3.408 -25.153 1.00 0.00 H new ATOM 0 HG3 GLN A 98 34.591 3.199 -23.936 1.00 0.00 H new ATOM 0 HE21 GLN A 98 33.610 1.184 -25.941 1.00 0.00 H new ATOM 0 HE22 GLN A 98 33.034 -0.184 -24.983 1.00 0.00 H new ATOM 1431 N MET A 99 31.770 6.475 -21.545 1.00 0.00 N ATOM 1432 CA MET A 99 30.669 7.402 -21.149 1.00 0.00 C ATOM 1433 C MET A 99 31.121 8.854 -21.320 1.00 0.00 C ATOM 1434 O MET A 99 30.361 9.705 -21.738 1.00 0.00 O ATOM 1435 CB MET A 99 30.399 7.093 -19.672 1.00 0.00 C ATOM 1436 CG MET A 99 28.928 6.715 -19.487 1.00 0.00 C ATOM 1437 SD MET A 99 28.707 5.922 -17.875 1.00 0.00 S ATOM 1438 CE MET A 99 27.493 7.088 -17.214 1.00 0.00 C ATOM 0 H MET A 99 32.259 6.027 -20.770 1.00 0.00 H new ATOM 0 HA MET A 99 29.776 7.270 -21.760 1.00 0.00 H new ATOM 0 HB2 MET A 99 31.039 6.277 -19.338 1.00 0.00 H new ATOM 0 HB3 MET A 99 30.642 7.960 -19.058 1.00 0.00 H new ATOM 0 HG2 MET A 99 28.302 7.604 -19.556 1.00 0.00 H new ATOM 0 HG3 MET A 99 28.612 6.040 -20.283 1.00 0.00 H new ATOM 0 HE1 MET A 99 27.209 6.785 -16.206 1.00 0.00 H new ATOM 0 HE2 MET A 99 27.927 8.087 -17.184 1.00 0.00 H new ATOM 0 HE3 MET A 99 26.610 7.095 -17.853 1.00 0.00 H new ATOM 1448 N SER A 100 32.356 9.140 -21.001 1.00 0.00 N ATOM 1449 CA SER A 100 32.862 10.537 -21.146 1.00 0.00 C ATOM 1450 C SER A 100 32.858 10.948 -22.621 1.00 0.00 C ATOM 1451 O SER A 100 32.381 12.008 -22.978 1.00 0.00 O ATOM 1452 CB SER A 100 34.290 10.501 -20.605 1.00 0.00 C ATOM 1453 OG SER A 100 34.255 10.322 -19.196 1.00 0.00 O ATOM 0 H SER A 100 33.036 8.467 -20.647 1.00 0.00 H new ATOM 0 HA SER A 100 32.243 11.258 -20.612 1.00 0.00 H new ATOM 0 HB2 SER A 100 34.848 9.689 -21.072 1.00 0.00 H new ATOM 0 HB3 SER A 100 34.808 11.427 -20.852 1.00 0.00 H new ATOM 0 HG SER A 100 34.261 9.364 -18.988 1.00 0.00 H new ATOM 1459 N LEU A 101 33.384 10.115 -23.479 1.00 0.00 N ATOM 1460 CA LEU A 101 33.413 10.456 -24.933 1.00 0.00 C ATOM 1461 C LEU A 101 31.986 10.538 -25.484 1.00 0.00 C ATOM 1462 O LEU A 101 31.682 11.364 -26.322 1.00 0.00 O ATOM 1463 CB LEU A 101 34.177 9.309 -25.596 1.00 0.00 C ATOM 1464 CG LEU A 101 35.627 9.730 -25.834 1.00 0.00 C ATOM 1465 CD1 LEU A 101 36.491 9.281 -24.654 1.00 0.00 C ATOM 1466 CD2 LEU A 101 36.143 9.077 -27.118 1.00 0.00 C ATOM 0 H LEU A 101 33.795 9.213 -23.237 1.00 0.00 H new ATOM 0 HA LEU A 101 33.884 11.421 -25.121 1.00 0.00 H new ATOM 0 HB2 LEU A 101 34.144 8.423 -24.963 1.00 0.00 H new ATOM 0 HB3 LEU A 101 33.705 9.043 -26.542 1.00 0.00 H new ATOM 0 HG LEU A 101 35.678 10.815 -25.930 1.00 0.00 H new ATOM 0 HD11 LEU A 101 37.525 9.582 -24.825 1.00 0.00 H new ATOM 0 HD12 LEU A 101 36.125 9.744 -23.738 1.00 0.00 H new ATOM 0 HD13 LEU A 101 36.440 8.196 -24.557 1.00 0.00 H new ATOM 0 HD21 LEU A 101 37.177 9.377 -27.288 1.00 0.00 H new ATOM 0 HD22 LEU A 101 36.091 7.993 -27.021 1.00 0.00 H new ATOM 0 HD23 LEU A 101 35.529 9.396 -27.960 1.00 0.00 H new