USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 1002 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 : R 16 HIS : no HD1:sc= -0.916 K(o=-0.92,f=-2!) USER MOD Single : R 17 GLN : amide:sc= -1.02 K(o=-1,f=-0.1) USER MOD Single : R 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : R 28 ASN : amide:sc= -0.0345 X(o=-0.034,f=0) USER MOD Single : R 30 TYR OH : rot 166:sc= -0.0238 USER MOD Single : R 31 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : R 32 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : R 35 HIS : no HD1:sc= -1.26! C(o=-1.3!,f=-11!) USER MOD Single : R 40 ASN : amide:sc= -0.88 K(o=-0.88,f=-3!) USER MOD Single : R 42 MET CE :methyl -122:sc= 0 (180deg=-0.769) USER MOD Single : R 44 THR OG1 : rot -102:sc= 0.0749 USER MOD Single : R 53 THR OG1 : rot 99:sc= 0.866 USER MOD Single : R 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 16 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0.0041) USER MOD Single : S 17 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : S 27 LYS NZ :NH3+ 140:sc= 0.0664 (180deg=0) USER MOD Single : S 28 ASN : amide:sc= -5.26! K(o=-5.3!,f=-0.75) USER MOD Single : S 30 TYR OH : rot 128:sc= -1.49 USER MOD Single : S 31 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : S 32 ASN : amide:sc= -0.425 X(o=-0.43,f=-0.018) USER MOD Single : S 35 HIS : no HD1:sc= -27.5! C(o=-28!,f=-30!) USER MOD Single : S 40 ASN : amide:sc= -0.0579 X(o=-0.058,f=-0.00081) USER MOD Single : S 42 MET CE :methyl -158:sc= 0 (180deg=-0.79) USER MOD Single : S 44 THR OG1 : rot 180:sc= -0.368 USER MOD Single : S 53 THR OG1 : rot 115:sc= 0.96 USER MOD Single : S 98 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 180 N HIS R 16 25.205 -1.960 29.228 1.00 0.00 N ATOM 181 CA HIS R 16 26.657 -1.649 29.125 1.00 0.00 C ATOM 182 C HIS R 16 27.441 -2.832 28.557 1.00 0.00 C ATOM 183 O HIS R 16 28.549 -2.678 28.086 1.00 0.00 O ATOM 184 CB HIS R 16 27.193 -1.343 30.530 1.00 0.00 C ATOM 185 CG HIS R 16 28.628 -1.869 30.637 1.00 0.00 C ATOM 186 ND1 HIS R 16 29.636 -1.363 30.053 1.00 0.00 N ATOM 187 CD2 HIS R 16 29.130 -2.964 31.325 1.00 0.00 C ATOM 188 CE1 HIS R 16 30.694 -2.038 30.307 1.00 0.00 C ATOM 189 NE2 HIS R 16 30.451 -3.067 31.106 1.00 0.00 N ATOM 0 HA HIS R 16 26.780 -0.796 28.457 1.00 0.00 H new ATOM 0 HB2 HIS R 16 27.170 -0.269 30.717 1.00 0.00 H new ATOM 0 HB3 HIS R 16 26.562 -1.812 31.285 1.00 0.00 H new ATOM 0 HD2 HIS R 16 28.547 -3.632 31.942 1.00 0.00 H new ATOM 0 HE1 HIS R 16 31.671 -1.797 29.915 1.00 0.00 H new ATOM 0 HE2 HIS R 16 31.104 -3.763 31.465 1.00 0.00 H new ATOM 197 N GLN R 17 26.848 -3.990 28.615 1.00 0.00 N ATOM 198 CA GLN R 17 27.541 -5.197 28.085 1.00 0.00 C ATOM 199 C GLN R 17 27.086 -5.500 26.657 1.00 0.00 C ATOM 200 O GLN R 17 27.391 -6.545 26.115 1.00 0.00 O ATOM 201 CB GLN R 17 27.187 -6.390 28.986 1.00 0.00 C ATOM 202 CG GLN R 17 25.888 -6.091 29.744 1.00 0.00 C ATOM 203 CD GLN R 17 25.332 -7.392 30.322 1.00 0.00 C ATOM 204 OE1 GLN R 17 24.869 -7.438 31.445 1.00 0.00 O ATOM 205 NE2 GLN R 17 25.359 -8.472 29.592 1.00 0.00 N ATOM 0 H GLN R 17 25.919 -4.154 29.004 1.00 0.00 H new ATOM 0 HA GLN R 17 28.616 -5.019 28.076 1.00 0.00 H new ATOM 0 HB2 GLN R 17 27.070 -7.292 28.385 1.00 0.00 H new ATOM 0 HB3 GLN R 17 27.996 -6.580 29.691 1.00 0.00 H new ATOM 0 HG2 GLN R 17 26.076 -5.375 30.544 1.00 0.00 H new ATOM 0 HG3 GLN R 17 25.159 -5.636 29.074 1.00 0.00 H new ATOM 0 HE21 GLN R 17 25.746 -8.441 28.649 1.00 0.00 H new ATOM 0 HE22 GLN R 17 24.993 -9.348 29.964 1.00 0.00 H new ATOM 214 N GLU R 18 26.371 -4.568 26.077 1.00 0.00 N ATOM 215 CA GLU R 18 25.875 -4.761 24.684 1.00 0.00 C ATOM 216 C GLU R 18 26.199 -3.537 23.816 1.00 0.00 C ATOM 217 O GLU R 18 27.009 -3.609 22.912 1.00 0.00 O ATOM 218 CB GLU R 18 24.347 -4.935 24.736 1.00 0.00 C ATOM 219 CG GLU R 18 23.968 -5.850 25.906 1.00 0.00 C ATOM 220 CD GLU R 18 22.449 -6.031 25.936 1.00 0.00 C ATOM 221 OE1 GLU R 18 21.977 -6.770 25.088 1.00 0.00 O ATOM 222 OE2 GLU R 18 21.848 -5.419 26.804 1.00 0.00 O ATOM 0 H GLU R 18 26.110 -3.682 26.510 1.00 0.00 H new ATOM 0 HA GLU R 18 26.359 -5.637 24.251 1.00 0.00 H new ATOM 0 HB2 GLU R 18 23.865 -3.964 24.851 1.00 0.00 H new ATOM 0 HB3 GLU R 18 23.988 -5.360 23.799 1.00 0.00 H new ATOM 0 HG2 GLU R 18 24.459 -6.817 25.800 1.00 0.00 H new ATOM 0 HG3 GLU R 18 24.313 -5.419 26.846 1.00 0.00 H new ATOM 229 N TRP R 19 25.553 -2.438 24.113 1.00 0.00 N ATOM 230 CA TRP R 19 25.793 -1.188 23.332 1.00 0.00 C ATOM 231 C TRP R 19 27.283 -0.990 23.028 1.00 0.00 C ATOM 232 O TRP R 19 27.634 -0.433 22.007 1.00 0.00 O ATOM 233 CB TRP R 19 25.276 -0.010 24.172 1.00 0.00 C ATOM 234 CG TRP R 19 25.488 1.305 23.407 1.00 0.00 C ATOM 235 CD1 TRP R 19 26.540 2.127 23.585 1.00 0.00 C ATOM 236 CD2 TRP R 19 24.662 1.807 22.479 1.00 0.00 C ATOM 237 NE1 TRP R 19 26.313 3.118 22.731 1.00 0.00 N ATOM 238 CE2 TRP R 19 25.175 3.006 22.009 1.00 0.00 C ATOM 239 CE3 TRP R 19 23.437 1.365 21.991 1.00 0.00 C ATOM 240 CZ2 TRP R 19 24.490 3.751 21.078 1.00 0.00 C ATOM 241 CZ3 TRP R 19 22.748 2.132 21.064 1.00 0.00 C ATOM 242 CH2 TRP R 19 23.277 3.320 20.611 1.00 0.00 C ATOM 0 H TRP R 19 24.868 -2.353 24.864 1.00 0.00 H new ATOM 0 HA TRP R 19 25.273 -1.252 22.376 1.00 0.00 H new ATOM 0 HB2 TRP R 19 24.218 -0.146 24.394 1.00 0.00 H new ATOM 0 HB3 TRP R 19 25.800 0.025 25.127 1.00 0.00 H new ATOM 0 HD1 TRP R 19 27.372 2.008 24.263 1.00 0.00 H new ATOM 0 HE1 TRP R 19 26.951 3.907 22.627 1.00 0.00 H new ATOM 0 HE3 TRP R 19 23.024 0.428 22.333 1.00 0.00 H new ATOM 0 HZ2 TRP R 19 24.909 4.678 20.715 1.00 0.00 H new ATOM 0 HZ3 TRP R 19 21.790 1.796 20.695 1.00 0.00 H new ATOM 0 HH2 TRP R 19 22.735 3.912 19.888 1.00 0.00 H new ATOM 253 N LEU R 20 28.130 -1.461 23.913 1.00 0.00 N ATOM 254 CA LEU R 20 29.601 -1.307 23.690 1.00 0.00 C ATOM 255 C LEU R 20 30.253 -2.615 23.261 1.00 0.00 C ATOM 256 O LEU R 20 30.871 -2.697 22.220 1.00 0.00 O ATOM 257 CB LEU R 20 30.251 -0.879 25.012 1.00 0.00 C ATOM 258 CG LEU R 20 29.668 0.465 25.426 1.00 0.00 C ATOM 259 CD1 LEU R 20 29.390 0.460 26.928 1.00 0.00 C ATOM 260 CD2 LEU R 20 30.654 1.584 25.088 1.00 0.00 C ATOM 0 H LEU R 20 27.868 -1.942 24.774 1.00 0.00 H new ATOM 0 HA LEU R 20 29.743 -0.568 22.901 1.00 0.00 H new ATOM 0 HB2 LEU R 20 30.066 -1.626 25.784 1.00 0.00 H new ATOM 0 HB3 LEU R 20 31.332 -0.803 24.895 1.00 0.00 H new ATOM 0 HG LEU R 20 28.737 0.635 24.886 1.00 0.00 H new ATOM 0 HD11 LEU R 20 28.973 1.422 27.224 1.00 0.00 H new ATOM 0 HD12 LEU R 20 28.679 -0.332 27.164 1.00 0.00 H new ATOM 0 HD13 LEU R 20 30.320 0.286 27.470 1.00 0.00 H new ATOM 0 HD21 LEU R 20 30.232 2.544 25.386 1.00 0.00 H new ATOM 0 HD22 LEU R 20 31.590 1.418 25.622 1.00 0.00 H new ATOM 0 HD23 LEU R 20 30.844 1.589 24.015 1.00 0.00 H new ATOM 272 N ARG R 21 30.099 -3.614 24.084 1.00 0.00 N ATOM 273 CA ARG R 21 30.698 -4.938 23.771 1.00 0.00 C ATOM 274 C ARG R 21 30.333 -5.450 22.377 1.00 0.00 C ATOM 275 O ARG R 21 31.107 -6.174 21.779 1.00 0.00 O ATOM 276 CB ARG R 21 30.192 -5.951 24.808 1.00 0.00 C ATOM 277 CG ARG R 21 31.388 -6.538 25.564 1.00 0.00 C ATOM 278 CD ARG R 21 30.907 -7.669 26.472 1.00 0.00 C ATOM 279 NE ARG R 21 30.373 -8.770 25.622 1.00 0.00 N ATOM 280 CZ ARG R 21 31.182 -9.695 25.186 1.00 0.00 C ATOM 281 NH1 ARG R 21 31.976 -10.290 26.031 1.00 0.00 N ATOM 282 NH2 ARG R 21 31.184 -9.980 23.912 1.00 0.00 N ATOM 0 H ARG R 21 29.582 -3.569 24.962 1.00 0.00 H new ATOM 0 HA ARG R 21 31.781 -4.822 23.800 1.00 0.00 H new ATOM 0 HB2 ARG R 21 29.509 -5.466 25.505 1.00 0.00 H new ATOM 0 HB3 ARG R 21 29.633 -6.746 24.315 1.00 0.00 H new ATOM 0 HG2 ARG R 21 32.130 -6.913 24.859 1.00 0.00 H new ATOM 0 HG3 ARG R 21 31.874 -5.763 26.156 1.00 0.00 H new ATOM 0 HD2 ARG R 21 31.728 -8.033 27.090 1.00 0.00 H new ATOM 0 HD3 ARG R 21 30.134 -7.307 27.150 1.00 0.00 H new ATOM 0 HE ARG R 21 29.382 -8.800 25.383 1.00 0.00 H new ATOM 0 HH11 ARG R 21 31.958 -10.030 27.017 1.00 0.00 H new ATOM 0 HH12 ARG R 21 32.615 -11.016 25.706 1.00 0.00 H new ATOM 0 HH21 ARG R 21 30.560 -9.482 23.277 1.00 0.00 H new ATOM 0 HH22 ARG R 21 31.810 -10.700 23.552 1.00 0.00 H new ATOM 296 N PHE R 22 29.188 -5.083 21.866 1.00 0.00 N ATOM 297 CA PHE R 22 28.841 -5.588 20.511 1.00 0.00 C ATOM 298 C PHE R 22 29.421 -4.732 19.393 1.00 0.00 C ATOM 299 O PHE R 22 30.146 -5.229 18.553 1.00 0.00 O ATOM 300 CB PHE R 22 27.330 -5.647 20.322 1.00 0.00 C ATOM 301 CG PHE R 22 27.107 -6.318 18.970 1.00 0.00 C ATOM 302 CD1 PHE R 22 27.266 -7.684 18.839 1.00 0.00 C ATOM 303 CD2 PHE R 22 26.841 -5.562 17.843 1.00 0.00 C ATOM 304 CE1 PHE R 22 27.166 -8.286 17.603 1.00 0.00 C ATOM 305 CE2 PHE R 22 26.741 -6.165 16.604 1.00 0.00 C ATOM 306 CZ PHE R 22 26.902 -7.528 16.485 1.00 0.00 C ATOM 0 H PHE R 22 28.500 -4.476 22.312 1.00 0.00 H new ATOM 0 HA PHE R 22 29.277 -6.585 20.450 1.00 0.00 H new ATOM 0 HB2 PHE R 22 26.857 -6.215 21.123 1.00 0.00 H new ATOM 0 HB3 PHE R 22 26.894 -4.648 20.340 1.00 0.00 H new ATOM 0 HD1 PHE R 22 27.470 -8.285 19.712 1.00 0.00 H new ATOM 0 HD2 PHE R 22 26.711 -4.494 17.932 1.00 0.00 H new ATOM 0 HE1 PHE R 22 27.295 -9.354 17.512 1.00 0.00 H new ATOM 0 HE2 PHE R 22 26.536 -5.567 15.728 1.00 0.00 H new ATOM 0 HZ PHE R 22 26.821 -8.000 15.517 1.00 0.00 H new ATOM 316 N VAL R 23 29.095 -3.468 19.378 1.00 0.00 N ATOM 317 CA VAL R 23 29.650 -2.623 18.294 1.00 0.00 C ATOM 318 C VAL R 23 31.156 -2.814 18.206 1.00 0.00 C ATOM 319 O VAL R 23 31.743 -2.650 17.154 1.00 0.00 O ATOM 320 CB VAL R 23 29.315 -1.153 18.567 1.00 0.00 C ATOM 321 CG1 VAL R 23 27.792 -1.004 18.605 1.00 0.00 C ATOM 322 CG2 VAL R 23 29.899 -0.711 19.909 1.00 0.00 C ATOM 0 H VAL R 23 28.487 -2.999 20.049 1.00 0.00 H new ATOM 0 HA VAL R 23 29.206 -2.918 17.343 1.00 0.00 H new ATOM 0 HB VAL R 23 29.743 -0.531 17.781 1.00 0.00 H new ATOM 0 HG11 VAL R 23 27.533 0.037 18.798 1.00 0.00 H new ATOM 0 HG12 VAL R 23 27.372 -1.310 17.647 1.00 0.00 H new ATOM 0 HG13 VAL R 23 27.385 -1.632 19.397 1.00 0.00 H new ATOM 0 HG21 VAL R 23 29.651 0.336 20.087 1.00 0.00 H new ATOM 0 HG22 VAL R 23 29.480 -1.323 20.707 1.00 0.00 H new ATOM 0 HG23 VAL R 23 30.982 -0.829 19.891 1.00 0.00 H new ATOM 332 N ASP R 24 31.759 -3.169 19.308 1.00 0.00 N ATOM 333 CA ASP R 24 33.228 -3.376 19.279 1.00 0.00 C ATOM 334 C ASP R 24 33.557 -4.482 18.283 1.00 0.00 C ATOM 335 O ASP R 24 34.563 -4.429 17.601 1.00 0.00 O ATOM 336 CB ASP R 24 33.702 -3.804 20.673 1.00 0.00 C ATOM 337 CG ASP R 24 34.584 -2.703 21.265 1.00 0.00 C ATOM 338 OD1 ASP R 24 35.741 -2.666 20.877 1.00 0.00 O ATOM 339 OD2 ASP R 24 34.053 -1.958 22.073 1.00 0.00 O ATOM 0 H ASP R 24 31.306 -3.321 20.209 1.00 0.00 H new ATOM 0 HA ASP R 24 33.725 -2.452 18.985 1.00 0.00 H new ATOM 0 HB2 ASP R 24 32.845 -3.988 21.321 1.00 0.00 H new ATOM 0 HB3 ASP R 24 34.260 -4.738 20.610 1.00 0.00 H new ATOM 344 N LEU R 25 32.698 -5.470 18.222 1.00 0.00 N ATOM 345 CA LEU R 25 32.942 -6.588 17.274 1.00 0.00 C ATOM 346 C LEU R 25 32.696 -6.122 15.839 1.00 0.00 C ATOM 347 O LEU R 25 33.473 -6.394 14.946 1.00 0.00 O ATOM 348 CB LEU R 25 31.964 -7.742 17.570 1.00 0.00 C ATOM 349 CG LEU R 25 31.751 -7.922 19.069 1.00 0.00 C ATOM 350 CD1 LEU R 25 30.801 -9.106 19.265 1.00 0.00 C ATOM 351 CD2 LEU R 25 33.084 -8.244 19.739 1.00 0.00 C ATOM 0 H LEU R 25 31.849 -5.546 18.783 1.00 0.00 H new ATOM 0 HA LEU R 25 33.974 -6.920 17.391 1.00 0.00 H new ATOM 0 HB2 LEU R 25 31.008 -7.543 17.087 1.00 0.00 H new ATOM 0 HB3 LEU R 25 32.351 -8.667 17.143 1.00 0.00 H new ATOM 0 HG LEU R 25 31.339 -7.012 19.506 1.00 0.00 H new ATOM 0 HD11 LEU R 25 30.628 -9.261 20.330 1.00 0.00 H new ATOM 0 HD12 LEU R 25 29.853 -8.897 18.770 1.00 0.00 H new ATOM 0 HD13 LEU R 25 31.245 -10.004 18.835 1.00 0.00 H new ATOM 0 HD21 LEU R 25 32.931 -8.373 20.811 1.00 0.00 H new ATOM 0 HD22 LEU R 25 33.490 -9.163 19.318 1.00 0.00 H new ATOM 0 HD23 LEU R 25 33.784 -7.426 19.568 1.00 0.00 H new ATOM 363 N LEU R 26 31.608 -5.427 15.646 1.00 0.00 N ATOM 364 CA LEU R 26 31.285 -4.932 14.277 1.00 0.00 C ATOM 365 C LEU R 26 32.517 -4.333 13.599 1.00 0.00 C ATOM 366 O LEU R 26 32.815 -4.643 12.461 1.00 0.00 O ATOM 367 CB LEU R 26 30.219 -3.831 14.397 1.00 0.00 C ATOM 368 CG LEU R 26 29.402 -3.764 13.097 1.00 0.00 C ATOM 369 CD1 LEU R 26 28.232 -4.747 13.169 1.00 0.00 C ATOM 370 CD2 LEU R 26 28.845 -2.347 12.918 1.00 0.00 C ATOM 0 H LEU R 26 30.933 -5.182 16.371 1.00 0.00 H new ATOM 0 HA LEU R 26 30.929 -5.771 13.679 1.00 0.00 H new ATOM 0 HB2 LEU R 26 29.562 -4.037 15.242 1.00 0.00 H new ATOM 0 HB3 LEU R 26 30.694 -2.869 14.590 1.00 0.00 H new ATOM 0 HG LEU R 26 30.047 -4.022 12.257 1.00 0.00 H new ATOM 0 HD11 LEU R 26 27.656 -4.695 12.245 1.00 0.00 H new ATOM 0 HD12 LEU R 26 28.615 -5.759 13.302 1.00 0.00 H new ATOM 0 HD13 LEU R 26 27.590 -4.488 14.011 1.00 0.00 H new ATOM 0 HD21 LEU R 26 28.265 -2.298 11.996 1.00 0.00 H new ATOM 0 HD22 LEU R 26 28.204 -2.099 13.764 1.00 0.00 H new ATOM 0 HD23 LEU R 26 29.669 -1.636 12.866 1.00 0.00 H new ATOM 382 N LYS R 27 33.209 -3.488 14.313 1.00 0.00 N ATOM 383 CA LYS R 27 34.418 -2.858 13.721 1.00 0.00 C ATOM 384 C LYS R 27 35.509 -3.882 13.412 1.00 0.00 C ATOM 385 O LYS R 27 36.255 -3.718 12.469 1.00 0.00 O ATOM 386 CB LYS R 27 34.935 -1.798 14.708 1.00 0.00 C ATOM 387 CG LYS R 27 36.088 -2.345 15.563 1.00 0.00 C ATOM 388 CD LYS R 27 36.356 -1.419 16.765 1.00 0.00 C ATOM 389 CE LYS R 27 37.553 -0.507 16.474 1.00 0.00 C ATOM 390 NZ LYS R 27 38.814 -1.156 16.920 1.00 0.00 N ATOM 0 H LYS R 27 32.991 -3.210 15.270 1.00 0.00 H new ATOM 0 HA LYS R 27 34.149 -2.398 12.770 1.00 0.00 H new ATOM 0 HB2 LYS R 27 35.273 -0.920 14.158 1.00 0.00 H new ATOM 0 HB3 LYS R 27 34.121 -1.474 15.356 1.00 0.00 H new ATOM 0 HG2 LYS R 27 35.843 -3.347 15.916 1.00 0.00 H new ATOM 0 HG3 LYS R 27 36.989 -2.432 14.956 1.00 0.00 H new ATOM 0 HD2 LYS R 27 35.472 -0.816 16.973 1.00 0.00 H new ATOM 0 HD3 LYS R 27 36.552 -2.015 17.656 1.00 0.00 H new ATOM 0 HE2 LYS R 27 37.604 -0.292 15.407 1.00 0.00 H new ATOM 0 HE3 LYS R 27 37.426 0.447 16.986 1.00 0.00 H new ATOM 0 HZ1 LYS R 27 39.618 -0.528 16.717 1.00 0.00 H new ATOM 0 HZ2 LYS R 27 38.767 -1.340 17.943 1.00 0.00 H new ATOM 0 HZ3 LYS R 27 38.940 -2.055 16.412 1.00 0.00 H new ATOM 404 N ASN R 28 35.580 -4.921 14.196 1.00 0.00 N ATOM 405 CA ASN R 28 36.624 -5.945 13.937 1.00 0.00 C ATOM 406 C ASN R 28 36.436 -6.592 12.560 1.00 0.00 C ATOM 407 O ASN R 28 37.383 -6.760 11.822 1.00 0.00 O ATOM 408 CB ASN R 28 36.546 -7.010 15.021 1.00 0.00 C ATOM 409 CG ASN R 28 37.777 -6.898 15.930 1.00 0.00 C ATOM 410 OD1 ASN R 28 38.515 -7.845 16.119 1.00 0.00 O ATOM 411 ND2 ASN R 28 38.038 -5.756 16.508 1.00 0.00 N ATOM 0 H ASN R 28 34.970 -5.103 14.993 1.00 0.00 H new ATOM 0 HA ASN R 28 37.602 -5.463 13.950 1.00 0.00 H new ATOM 0 HB2 ASN R 28 35.635 -6.884 15.606 1.00 0.00 H new ATOM 0 HB3 ASN R 28 36.501 -8.002 14.570 1.00 0.00 H new ATOM 0 HD21 ASN R 28 38.855 -5.665 17.112 1.00 0.00 H new ATOM 0 HD22 ASN R 28 37.425 -4.955 16.356 1.00 0.00 H new ATOM 418 N ALA R 29 35.229 -6.987 12.247 1.00 0.00 N ATOM 419 CA ALA R 29 35.011 -7.619 10.907 1.00 0.00 C ATOM 420 C ALA R 29 35.210 -6.598 9.810 1.00 0.00 C ATOM 421 O ALA R 29 35.910 -6.843 8.856 1.00 0.00 O ATOM 422 CB ALA R 29 33.573 -8.128 10.826 1.00 0.00 C ATOM 0 H ALA R 29 34.404 -6.904 12.841 1.00 0.00 H new ATOM 0 HA ALA R 29 35.721 -8.436 10.783 1.00 0.00 H new ATOM 0 HB1 ALA R 29 33.405 -8.590 9.853 1.00 0.00 H new ATOM 0 HB2 ALA R 29 33.403 -8.864 11.612 1.00 0.00 H new ATOM 0 HB3 ALA R 29 32.884 -7.293 10.955 1.00 0.00 H new ATOM 428 N TYR R 30 34.554 -5.489 9.948 1.00 0.00 N ATOM 429 CA TYR R 30 34.695 -4.436 8.922 1.00 0.00 C ATOM 430 C TYR R 30 36.145 -4.294 8.559 1.00 0.00 C ATOM 431 O TYR R 30 36.525 -4.666 7.451 1.00 0.00 O ATOM 432 CB TYR R 30 34.279 -3.092 9.573 1.00 0.00 C ATOM 433 CG TYR R 30 32.949 -2.530 9.045 1.00 0.00 C ATOM 434 CD1 TYR R 30 32.843 -2.043 7.756 1.00 0.00 C ATOM 435 CD2 TYR R 30 31.863 -2.397 9.895 1.00 0.00 C ATOM 436 CE1 TYR R 30 31.678 -1.425 7.330 1.00 0.00 C ATOM 437 CE2 TYR R 30 30.705 -1.780 9.467 1.00 0.00 C ATOM 438 CZ TYR R 30 30.604 -1.289 8.186 1.00 0.00 C ATOM 439 OH TYR R 30 29.452 -0.647 7.778 1.00 0.00 O ATOM 0 H TYR R 30 33.929 -5.268 10.723 1.00 0.00 H new ATOM 0 HA TYR R 30 34.093 -4.685 8.048 1.00 0.00 H new ATOM 0 HB2 TYR R 30 34.201 -3.231 10.651 1.00 0.00 H new ATOM 0 HB3 TYR R 30 35.066 -2.358 9.402 1.00 0.00 H new ATOM 0 HD1 TYR R 30 33.675 -2.145 7.075 1.00 0.00 H new ATOM 0 HD2 TYR R 30 31.923 -2.780 10.903 1.00 0.00 H new ATOM 0 HE1 TYR R 30 31.610 -1.047 6.321 1.00 0.00 H new ATOM 0 HE2 TYR R 30 29.870 -1.682 10.145 1.00 0.00 H new ATOM 0 HH TYR R 30 28.731 -0.832 8.416 1.00 0.00 H new ATOM 449 N GLN R 31 36.901 -4.098 9.630 1.00 0.00 N ATOM 450 CA GLN R 31 38.370 -3.903 9.559 1.00 0.00 C ATOM 451 C GLN R 31 38.863 -4.051 8.157 1.00 0.00 C ATOM 452 O GLN R 31 39.297 -3.078 7.567 1.00 0.00 O ATOM 453 CB GLN R 31 39.037 -4.962 10.437 1.00 0.00 C ATOM 454 CG GLN R 31 40.546 -4.714 10.448 1.00 0.00 C ATOM 455 CD GLN R 31 41.221 -5.670 11.431 1.00 0.00 C ATOM 456 OE1 GLN R 31 40.632 -6.624 11.899 1.00 0.00 O ATOM 457 NE2 GLN R 31 42.458 -5.443 11.771 1.00 0.00 N ATOM 0 H GLN R 31 36.528 -4.067 10.579 1.00 0.00 H new ATOM 0 HA GLN R 31 38.614 -2.898 9.904 1.00 0.00 H new ATOM 0 HB2 GLN R 31 38.640 -4.916 11.451 1.00 0.00 H new ATOM 0 HB3 GLN R 31 38.821 -5.960 10.055 1.00 0.00 H new ATOM 0 HG2 GLN R 31 40.955 -4.858 9.448 1.00 0.00 H new ATOM 0 HG3 GLN R 31 40.752 -3.682 10.731 1.00 0.00 H new ATOM 0 HE21 GLN R 31 42.956 -4.643 11.380 1.00 0.00 H new ATOM 0 HE22 GLN R 31 42.929 -6.065 12.428 1.00 0.00 H new ATOM 466 N ASN R 32 38.773 -5.215 7.624 1.00 0.00 N ATOM 467 CA ASN R 32 39.252 -5.353 6.242 1.00 0.00 C ATOM 468 C ASN R 32 38.038 -5.357 5.304 1.00 0.00 C ATOM 469 O ASN R 32 37.567 -4.316 4.888 1.00 0.00 O ATOM 470 CB ASN R 32 40.036 -6.685 6.140 1.00 0.00 C ATOM 471 CG ASN R 32 41.131 -6.520 5.079 1.00 0.00 C ATOM 472 OD1 ASN R 32 40.867 -6.514 3.893 1.00 0.00 O ATOM 473 ND2 ASN R 32 42.371 -6.377 5.462 1.00 0.00 N ATOM 0 H ASN R 32 38.401 -6.056 8.066 1.00 0.00 H new ATOM 0 HA ASN R 32 39.907 -4.529 5.960 1.00 0.00 H new ATOM 0 HB2 ASN R 32 40.477 -6.941 7.104 1.00 0.00 H new ATOM 0 HB3 ASN R 32 39.365 -7.501 5.870 1.00 0.00 H new ATOM 0 HD21 ASN R 32 43.109 -6.261 4.768 1.00 0.00 H new ATOM 0 HD22 ASN R 32 42.602 -6.381 6.456 1.00 0.00 H new ATOM 480 N ASP R 33 37.557 -6.520 5.016 1.00 0.00 N ATOM 481 CA ASP R 33 36.393 -6.682 4.131 1.00 0.00 C ATOM 482 C ASP R 33 35.410 -7.631 4.776 1.00 0.00 C ATOM 483 O ASP R 33 34.514 -8.117 4.116 1.00 0.00 O ATOM 484 CB ASP R 33 36.857 -7.323 2.827 1.00 0.00 C ATOM 485 CG ASP R 33 38.133 -6.648 2.335 1.00 0.00 C ATOM 486 OD1 ASP R 33 38.132 -5.429 2.338 1.00 0.00 O ATOM 487 OD2 ASP R 33 39.035 -7.389 1.981 1.00 0.00 O ATOM 0 H ASP R 33 37.939 -7.396 5.372 1.00 0.00 H new ATOM 0 HA ASP R 33 35.932 -5.711 3.951 1.00 0.00 H new ATOM 0 HB2 ASP R 33 37.035 -8.387 2.979 1.00 0.00 H new ATOM 0 HB3 ASP R 33 36.076 -7.236 2.072 1.00 0.00 H new ATOM 492 N LEU R 34 35.567 -7.883 6.053 1.00 0.00 N ATOM 493 CA LEU R 34 34.617 -8.847 6.664 1.00 0.00 C ATOM 494 C LEU R 34 33.260 -8.310 7.080 1.00 0.00 C ATOM 495 O LEU R 34 32.478 -9.033 7.663 1.00 0.00 O ATOM 496 CB LEU R 34 35.310 -9.539 7.831 1.00 0.00 C ATOM 497 CG LEU R 34 36.848 -9.430 7.676 1.00 0.00 C ATOM 498 CD1 LEU R 34 37.530 -10.262 8.765 1.00 0.00 C ATOM 499 CD2 LEU R 34 37.293 -9.964 6.310 1.00 0.00 C ATOM 0 H LEU R 34 36.276 -7.483 6.668 1.00 0.00 H new ATOM 0 HA LEU R 34 34.362 -9.544 5.866 1.00 0.00 H new ATOM 0 HB2 LEU R 34 34.998 -9.084 8.771 1.00 0.00 H new ATOM 0 HB3 LEU R 34 35.014 -10.587 7.870 1.00 0.00 H new ATOM 0 HG LEU R 34 37.128 -8.380 7.763 1.00 0.00 H new ATOM 0 HD11 LEU R 34 38.612 -10.186 8.657 1.00 0.00 H new ATOM 0 HD12 LEU R 34 37.236 -9.888 9.746 1.00 0.00 H new ATOM 0 HD13 LEU R 34 37.228 -11.305 8.669 1.00 0.00 H new ATOM 0 HD21 LEU R 34 38.376 -9.879 6.221 1.00 0.00 H new ATOM 0 HD22 LEU R 34 37.003 -11.010 6.216 1.00 0.00 H new ATOM 0 HD23 LEU R 34 36.817 -9.383 5.520 1.00 0.00 H new ATOM 511 N HIS R 35 32.982 -7.085 6.802 1.00 0.00 N ATOM 512 CA HIS R 35 31.645 -6.588 7.208 1.00 0.00 C ATOM 513 C HIS R 35 30.559 -7.248 6.349 1.00 0.00 C ATOM 514 O HIS R 35 29.686 -7.910 6.847 1.00 0.00 O ATOM 515 CB HIS R 35 31.528 -5.076 6.977 1.00 0.00 C ATOM 516 CG HIS R 35 32.118 -4.687 5.620 1.00 0.00 C ATOM 517 ND1 HIS R 35 33.016 -5.318 4.985 1.00 0.00 N ATOM 518 CD2 HIS R 35 31.794 -3.623 4.810 1.00 0.00 C ATOM 519 CE1 HIS R 35 33.267 -4.737 3.869 1.00 0.00 C ATOM 520 NE2 HIS R 35 32.532 -3.655 3.694 1.00 0.00 N ATOM 0 H HIS R 35 33.592 -6.419 6.328 1.00 0.00 H new ATOM 0 HA HIS R 35 31.519 -6.824 8.265 1.00 0.00 H new ATOM 0 HB2 HIS R 35 30.481 -4.776 7.023 1.00 0.00 H new ATOM 0 HB3 HIS R 35 32.048 -4.541 7.772 1.00 0.00 H new ATOM 0 HD2 HIS R 35 31.053 -2.872 5.041 1.00 0.00 H new ATOM 0 HE1 HIS R 35 33.996 -5.092 3.155 1.00 0.00 H new ATOM 0 HE2 HIS R 35 32.528 -3.007 2.907 1.00 0.00 H new ATOM 528 N LEU R 36 30.714 -7.113 5.060 1.00 0.00 N ATOM 529 CA LEU R 36 29.730 -7.692 4.080 1.00 0.00 C ATOM 530 C LEU R 36 29.122 -9.076 4.392 1.00 0.00 C ATOM 531 O LEU R 36 27.913 -9.188 4.445 1.00 0.00 O ATOM 532 CB LEU R 36 30.379 -7.743 2.695 1.00 0.00 C ATOM 533 CG LEU R 36 29.484 -6.983 1.708 1.00 0.00 C ATOM 534 CD1 LEU R 36 29.448 -5.495 2.078 1.00 0.00 C ATOM 535 CD2 LEU R 36 30.033 -7.144 0.292 1.00 0.00 C ATOM 0 H LEU R 36 31.495 -6.617 4.630 1.00 0.00 H new ATOM 0 HA LEU R 36 28.879 -7.014 4.144 1.00 0.00 H new ATOM 0 HB2 LEU R 36 31.373 -7.296 2.726 1.00 0.00 H new ATOM 0 HB3 LEU R 36 30.504 -8.777 2.374 1.00 0.00 H new ATOM 0 HG LEU R 36 28.473 -7.389 1.755 1.00 0.00 H new ATOM 0 HD11 LEU R 36 28.811 -4.960 1.374 1.00 0.00 H new ATOM 0 HD12 LEU R 36 29.050 -5.380 3.086 1.00 0.00 H new ATOM 0 HD13 LEU R 36 30.457 -5.085 2.037 1.00 0.00 H new ATOM 0 HD21 LEU R 36 29.396 -6.604 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU R 36 31.045 -6.742 0.246 1.00 0.00 H new ATOM 0 HD23 LEU R 36 30.050 -8.201 0.026 1.00 0.00 H new ATOM 547 N PRO R 37 29.908 -10.114 4.585 1.00 0.00 N ATOM 548 CA PRO R 37 29.320 -11.436 4.872 1.00 0.00 C ATOM 549 C PRO R 37 28.355 -11.380 6.053 1.00 0.00 C ATOM 550 O PRO R 37 27.190 -11.698 5.916 1.00 0.00 O ATOM 551 CB PRO R 37 30.519 -12.338 5.189 1.00 0.00 C ATOM 552 CG PRO R 37 31.751 -11.407 5.328 1.00 0.00 C ATOM 553 CD PRO R 37 31.384 -10.077 4.647 1.00 0.00 C ATOM 0 HA PRO R 37 28.733 -11.805 4.031 1.00 0.00 H new ATOM 0 HB2 PRO R 37 30.350 -12.897 6.109 1.00 0.00 H new ATOM 0 HB3 PRO R 37 30.674 -13.069 4.396 1.00 0.00 H new ATOM 0 HG2 PRO R 37 31.999 -11.248 6.378 1.00 0.00 H new ATOM 0 HG3 PRO R 37 32.627 -11.853 4.858 1.00 0.00 H new ATOM 0 HD2 PRO R 37 31.740 -9.221 5.221 1.00 0.00 H new ATOM 0 HD3 PRO R 37 31.825 -10.000 3.653 1.00 0.00 H new ATOM 561 N LEU R 38 28.848 -10.989 7.190 1.00 0.00 N ATOM 562 CA LEU R 38 27.957 -10.913 8.372 1.00 0.00 C ATOM 563 C LEU R 38 27.079 -9.667 8.270 1.00 0.00 C ATOM 564 O LEU R 38 25.880 -9.744 8.448 1.00 0.00 O ATOM 565 CB LEU R 38 28.856 -10.932 9.629 1.00 0.00 C ATOM 566 CG LEU R 38 28.802 -9.632 10.438 1.00 0.00 C ATOM 567 CD1 LEU R 38 27.418 -9.458 11.070 1.00 0.00 C ATOM 568 CD2 LEU R 38 29.839 -9.765 11.544 1.00 0.00 C ATOM 0 H LEU R 38 29.819 -10.721 7.351 1.00 0.00 H new ATOM 0 HA LEU R 38 27.273 -11.759 8.429 1.00 0.00 H new ATOM 0 HB2 LEU R 38 28.555 -11.762 10.269 1.00 0.00 H new ATOM 0 HB3 LEU R 38 29.886 -11.120 9.327 1.00 0.00 H new ATOM 0 HG LEU R 38 28.998 -8.772 9.798 1.00 0.00 H new ATOM 0 HD11 LEU R 38 27.393 -8.530 11.642 1.00 0.00 H new ATOM 0 HD12 LEU R 38 26.662 -9.421 10.286 1.00 0.00 H new ATOM 0 HD13 LEU R 38 27.212 -10.299 11.733 1.00 0.00 H new ATOM 0 HD21 LEU R 38 29.841 -8.860 12.152 1.00 0.00 H new ATOM 0 HD22 LEU R 38 29.595 -10.623 12.171 1.00 0.00 H new ATOM 0 HD23 LEU R 38 30.825 -9.907 11.103 1.00 0.00 H new ATOM 580 N LEU R 39 27.686 -8.548 8.003 1.00 0.00 N ATOM 581 CA LEU R 39 26.870 -7.289 7.880 1.00 0.00 C ATOM 582 C LEU R 39 25.610 -7.567 7.064 1.00 0.00 C ATOM 583 O LEU R 39 24.549 -7.041 7.338 1.00 0.00 O ATOM 584 CB LEU R 39 27.687 -6.231 7.111 1.00 0.00 C ATOM 585 CG LEU R 39 26.859 -4.960 6.870 1.00 0.00 C ATOM 586 CD1 LEU R 39 26.275 -4.438 8.177 1.00 0.00 C ATOM 587 CD2 LEU R 39 27.773 -3.885 6.276 1.00 0.00 C ATOM 0 H LEU R 39 28.691 -8.440 7.865 1.00 0.00 H new ATOM 0 HA LEU R 39 26.611 -6.940 8.880 1.00 0.00 H new ATOM 0 HB2 LEU R 39 28.586 -5.981 7.674 1.00 0.00 H new ATOM 0 HB3 LEU R 39 28.013 -6.643 6.156 1.00 0.00 H new ATOM 0 HG LEU R 39 26.041 -5.196 6.189 1.00 0.00 H new ATOM 0 HD11 LEU R 39 25.693 -3.538 7.981 1.00 0.00 H new ATOM 0 HD12 LEU R 39 25.630 -5.199 8.617 1.00 0.00 H new ATOM 0 HD13 LEU R 39 27.084 -4.204 8.869 1.00 0.00 H new ATOM 0 HD21 LEU R 39 27.198 -2.976 6.099 1.00 0.00 H new ATOM 0 HD22 LEU R 39 28.584 -3.672 6.972 1.00 0.00 H new ATOM 0 HD23 LEU R 39 28.188 -4.241 5.333 1.00 0.00 H new ATOM 599 N ASN R 40 25.763 -8.403 6.069 1.00 0.00 N ATOM 600 CA ASN R 40 24.604 -8.750 5.200 1.00 0.00 C ATOM 601 C ASN R 40 23.618 -9.688 5.891 1.00 0.00 C ATOM 602 O ASN R 40 22.445 -9.665 5.579 1.00 0.00 O ATOM 603 CB ASN R 40 25.148 -9.439 3.944 1.00 0.00 C ATOM 604 CG ASN R 40 23.994 -9.759 2.996 1.00 0.00 C ATOM 605 OD1 ASN R 40 23.153 -10.587 3.279 1.00 0.00 O ATOM 606 ND2 ASN R 40 23.919 -9.127 1.856 1.00 0.00 N ATOM 0 H ASN R 40 26.641 -8.859 5.823 1.00 0.00 H new ATOM 0 HA ASN R 40 24.066 -7.832 4.961 1.00 0.00 H new ATOM 0 HB2 ASN R 40 25.872 -8.793 3.447 1.00 0.00 H new ATOM 0 HB3 ASN R 40 25.672 -10.355 4.217 1.00 0.00 H new ATOM 0 HD21 ASN R 40 23.157 -9.330 1.209 1.00 0.00 H new ATOM 0 HD22 ASN R 40 24.623 -8.430 1.612 1.00 0.00 H new ATOM 613 N LEU R 41 24.109 -10.506 6.794 1.00 0.00 N ATOM 614 CA LEU R 41 23.193 -11.444 7.506 1.00 0.00 C ATOM 615 C LEU R 41 21.878 -10.740 7.809 1.00 0.00 C ATOM 616 O LEU R 41 20.816 -11.322 7.718 1.00 0.00 O ATOM 617 CB LEU R 41 23.858 -11.850 8.839 1.00 0.00 C ATOM 618 CG LEU R 41 23.403 -13.250 9.302 1.00 0.00 C ATOM 619 CD1 LEU R 41 21.880 -13.389 9.204 1.00 0.00 C ATOM 620 CD2 LEU R 41 24.075 -14.329 8.449 1.00 0.00 C ATOM 0 H LEU R 41 25.091 -10.562 7.063 1.00 0.00 H new ATOM 0 HA LEU R 41 23.002 -12.320 6.887 1.00 0.00 H new ATOM 0 HB2 LEU R 41 24.942 -11.840 8.723 1.00 0.00 H new ATOM 0 HB3 LEU R 41 23.613 -11.116 9.606 1.00 0.00 H new ATOM 0 HG LEU R 41 23.697 -13.376 10.344 1.00 0.00 H new ATOM 0 HD11 LEU R 41 21.583 -14.384 9.536 1.00 0.00 H new ATOM 0 HD12 LEU R 41 21.405 -12.639 9.836 1.00 0.00 H new ATOM 0 HD13 LEU R 41 21.567 -13.243 8.170 1.00 0.00 H new ATOM 0 HD21 LEU R 41 23.748 -15.313 8.783 1.00 0.00 H new ATOM 0 HD22 LEU R 41 23.799 -14.191 7.404 1.00 0.00 H new ATOM 0 HD23 LEU R 41 25.157 -14.252 8.552 1.00 0.00 H new ATOM 632 N MET R 42 21.991 -9.482 8.139 1.00 0.00 N ATOM 633 CA MET R 42 20.775 -8.682 8.458 1.00 0.00 C ATOM 634 C MET R 42 20.584 -7.547 7.449 1.00 0.00 C ATOM 635 O MET R 42 20.635 -6.384 7.790 1.00 0.00 O ATOM 636 CB MET R 42 20.950 -8.092 9.864 1.00 0.00 C ATOM 637 CG MET R 42 22.432 -7.815 10.111 1.00 0.00 C ATOM 638 SD MET R 42 22.842 -6.555 11.347 1.00 0.00 S ATOM 639 CE MET R 42 24.623 -6.861 11.418 1.00 0.00 C ATOM 0 H MET R 42 22.873 -8.974 8.201 1.00 0.00 H new ATOM 0 HA MET R 42 19.896 -9.325 8.411 1.00 0.00 H new ATOM 0 HB2 MET R 42 20.375 -7.171 9.959 1.00 0.00 H new ATOM 0 HB3 MET R 42 20.568 -8.786 10.613 1.00 0.00 H new ATOM 0 HG2 MET R 42 22.905 -8.750 10.411 1.00 0.00 H new ATOM 0 HG3 MET R 42 22.883 -7.519 9.164 1.00 0.00 H new ATOM 0 HE1 MET R 42 24.909 -7.111 12.440 1.00 0.00 H new ATOM 0 HE2 MET R 42 24.876 -7.690 10.757 1.00 0.00 H new ATOM 0 HE3 MET R 42 25.159 -5.967 11.100 1.00 0.00 H new ATOM 649 N LEU R 43 20.392 -7.912 6.212 1.00 0.00 N ATOM 650 CA LEU R 43 20.195 -6.881 5.170 1.00 0.00 C ATOM 651 C LEU R 43 18.715 -6.479 5.125 1.00 0.00 C ATOM 652 O LEU R 43 18.333 -5.552 4.450 1.00 0.00 O ATOM 653 CB LEU R 43 20.695 -7.499 3.836 1.00 0.00 C ATOM 654 CG LEU R 43 19.596 -7.609 2.766 1.00 0.00 C ATOM 655 CD1 LEU R 43 19.306 -6.226 2.163 1.00 0.00 C ATOM 656 CD2 LEU R 43 20.115 -8.518 1.649 1.00 0.00 C ATOM 0 H LEU R 43 20.364 -8.877 5.884 1.00 0.00 H new ATOM 0 HA LEU R 43 20.754 -5.967 5.372 1.00 0.00 H new ATOM 0 HB2 LEU R 43 21.512 -6.892 3.446 1.00 0.00 H new ATOM 0 HB3 LEU R 43 21.101 -8.491 4.033 1.00 0.00 H new ATOM 0 HG LEU R 43 18.686 -8.007 3.215 1.00 0.00 H new ATOM 0 HD11 LEU R 43 18.526 -6.315 1.406 1.00 0.00 H new ATOM 0 HD12 LEU R 43 18.973 -5.549 2.949 1.00 0.00 H new ATOM 0 HD13 LEU R 43 20.213 -5.831 1.705 1.00 0.00 H new ATOM 0 HD21 LEU R 43 19.354 -8.614 0.875 1.00 0.00 H new ATOM 0 HD22 LEU R 43 21.018 -8.086 1.218 1.00 0.00 H new ATOM 0 HD23 LEU R 43 20.343 -9.503 2.057 1.00 0.00 H new ATOM 668 N THR R 44 17.926 -7.188 5.899 1.00 0.00 N ATOM 669 CA THR R 44 16.458 -6.914 5.963 1.00 0.00 C ATOM 670 C THR R 44 16.154 -5.411 5.823 1.00 0.00 C ATOM 671 O THR R 44 17.016 -4.585 6.049 1.00 0.00 O ATOM 672 CB THR R 44 15.976 -7.404 7.335 1.00 0.00 C ATOM 673 OG1 THR R 44 17.160 -7.579 8.095 1.00 0.00 O ATOM 674 CG2 THR R 44 15.386 -8.816 7.236 1.00 0.00 C ATOM 0 H THR R 44 18.243 -7.953 6.495 1.00 0.00 H new ATOM 0 HA THR R 44 15.951 -7.424 5.144 1.00 0.00 H new ATOM 0 HB THR R 44 15.242 -6.708 7.741 1.00 0.00 H new ATOM 0 HG1 THR R 44 17.384 -8.532 8.137 1.00 0.00 H new ATOM 0 HG21 THR R 44 15.052 -9.141 8.221 1.00 0.00 H new ATOM 0 HG22 THR R 44 14.539 -8.809 6.550 1.00 0.00 H new ATOM 0 HG23 THR R 44 16.147 -9.503 6.867 1.00 0.00 H new ATOM 682 N PRO R 45 14.922 -5.075 5.486 1.00 0.00 N ATOM 683 CA PRO R 45 14.532 -3.663 5.322 1.00 0.00 C ATOM 684 C PRO R 45 14.841 -2.845 6.570 1.00 0.00 C ATOM 685 O PRO R 45 14.905 -1.633 6.520 1.00 0.00 O ATOM 686 CB PRO R 45 13.011 -3.695 5.091 1.00 0.00 C ATOM 687 CG PRO R 45 12.562 -5.180 5.112 1.00 0.00 C ATOM 688 CD PRO R 45 13.820 -6.043 5.298 1.00 0.00 C ATOM 0 HA PRO R 45 15.080 -3.199 4.502 1.00 0.00 H new ATOM 0 HB2 PRO R 45 12.494 -3.128 5.866 1.00 0.00 H new ATOM 0 HB3 PRO R 45 12.759 -3.233 4.137 1.00 0.00 H new ATOM 0 HG2 PRO R 45 11.854 -5.355 5.923 1.00 0.00 H new ATOM 0 HG3 PRO R 45 12.053 -5.439 4.183 1.00 0.00 H new ATOM 0 HD2 PRO R 45 13.722 -6.703 6.160 1.00 0.00 H new ATOM 0 HD3 PRO R 45 13.996 -6.678 4.429 1.00 0.00 H new ATOM 696 N ASP R 46 15.023 -3.519 7.667 1.00 0.00 N ATOM 697 CA ASP R 46 15.328 -2.784 8.918 1.00 0.00 C ATOM 698 C ASP R 46 16.716 -2.149 8.865 1.00 0.00 C ATOM 699 O ASP R 46 16.914 -1.055 9.357 1.00 0.00 O ATOM 700 CB ASP R 46 15.272 -3.767 10.091 1.00 0.00 C ATOM 701 CG ASP R 46 15.179 -2.975 11.396 1.00 0.00 C ATOM 702 OD1 ASP R 46 15.643 -1.848 11.378 1.00 0.00 O ATOM 703 OD2 ASP R 46 14.648 -3.543 12.338 1.00 0.00 O ATOM 0 H ASP R 46 14.974 -4.534 7.751 1.00 0.00 H new ATOM 0 HA ASP R 46 14.593 -1.988 9.042 1.00 0.00 H new ATOM 0 HB2 ASP R 46 14.411 -4.428 9.989 1.00 0.00 H new ATOM 0 HB3 ASP R 46 16.160 -4.399 10.096 1.00 0.00 H new ATOM 708 N GLU R 47 17.659 -2.836 8.272 1.00 0.00 N ATOM 709 CA GLU R 47 19.022 -2.252 8.199 1.00 0.00 C ATOM 710 C GLU R 47 19.152 -1.340 6.985 1.00 0.00 C ATOM 711 O GLU R 47 19.690 -0.258 7.079 1.00 0.00 O ATOM 712 CB GLU R 47 20.063 -3.375 8.095 1.00 0.00 C ATOM 713 CG GLU R 47 21.412 -2.832 8.579 1.00 0.00 C ATOM 714 CD GLU R 47 21.499 -2.961 10.104 1.00 0.00 C ATOM 715 OE1 GLU R 47 20.686 -2.323 10.753 1.00 0.00 O ATOM 716 OE2 GLU R 47 22.377 -3.689 10.536 1.00 0.00 O ATOM 0 H GLU R 47 17.545 -3.755 7.845 1.00 0.00 H new ATOM 0 HA GLU R 47 19.193 -1.668 9.103 1.00 0.00 H new ATOM 0 HB2 GLU R 47 19.760 -4.230 8.699 1.00 0.00 H new ATOM 0 HB3 GLU R 47 20.142 -3.724 7.066 1.00 0.00 H new ATOM 0 HG2 GLU R 47 22.227 -3.383 8.110 1.00 0.00 H new ATOM 0 HG3 GLU R 47 21.522 -1.788 8.285 1.00 0.00 H new ATOM 723 N ARG R 48 18.662 -1.793 5.863 1.00 0.00 N ATOM 724 CA ARG R 48 18.757 -0.949 4.647 1.00 0.00 C ATOM 725 C ARG R 48 18.209 0.446 4.934 1.00 0.00 C ATOM 726 O ARG R 48 18.789 1.442 4.544 1.00 0.00 O ATOM 727 CB ARG R 48 17.913 -1.587 3.534 1.00 0.00 C ATOM 728 CG ARG R 48 17.978 -0.702 2.287 1.00 0.00 C ATOM 729 CD ARG R 48 17.420 -1.474 1.088 1.00 0.00 C ATOM 730 NE ARG R 48 18.325 -2.617 0.779 1.00 0.00 N ATOM 731 CZ ARG R 48 19.321 -2.441 -0.047 1.00 0.00 C ATOM 732 NH1 ARG R 48 20.361 -1.765 0.354 1.00 0.00 N ATOM 733 NH2 ARG R 48 19.241 -2.948 -1.248 1.00 0.00 N ATOM 0 H ARG R 48 18.207 -2.698 5.740 1.00 0.00 H new ATOM 0 HA ARG R 48 19.801 -0.874 4.343 1.00 0.00 H new ATOM 0 HB2 ARG R 48 18.285 -2.586 3.306 1.00 0.00 H new ATOM 0 HB3 ARG R 48 16.880 -1.699 3.863 1.00 0.00 H new ATOM 0 HG2 ARG R 48 17.404 0.211 2.445 1.00 0.00 H new ATOM 0 HG3 ARG R 48 19.008 -0.402 2.093 1.00 0.00 H new ATOM 0 HD2 ARG R 48 16.417 -1.838 1.309 1.00 0.00 H new ATOM 0 HD3 ARG R 48 17.337 -0.816 0.223 1.00 0.00 H new ATOM 0 HE ARG R 48 18.168 -3.529 1.209 1.00 0.00 H new ATOM 0 HH11 ARG R 48 20.388 -1.383 1.300 1.00 0.00 H new ATOM 0 HH12 ARG R 48 21.148 -1.618 -0.278 1.00 0.00 H new ATOM 0 HH21 ARG R 48 18.411 -3.471 -1.527 1.00 0.00 H new ATOM 0 HH22 ARG R 48 20.009 -2.821 -1.907 1.00 0.00 H new ATOM 747 N GLU R 49 17.098 0.488 5.620 1.00 0.00 N ATOM 748 CA GLU R 49 16.487 1.804 5.946 1.00 0.00 C ATOM 749 C GLU R 49 17.279 2.551 7.020 1.00 0.00 C ATOM 750 O GLU R 49 17.374 3.762 6.983 1.00 0.00 O ATOM 751 CB GLU R 49 15.067 1.557 6.475 1.00 0.00 C ATOM 752 CG GLU R 49 14.293 2.877 6.461 1.00 0.00 C ATOM 753 CD GLU R 49 13.220 2.862 7.556 1.00 0.00 C ATOM 754 OE1 GLU R 49 12.923 1.772 8.014 1.00 0.00 O ATOM 755 OE2 GLU R 49 12.757 3.947 7.872 1.00 0.00 O ATOM 0 H GLU R 49 16.592 -0.327 5.966 1.00 0.00 H new ATOM 0 HA GLU R 49 16.483 2.413 5.042 1.00 0.00 H new ATOM 0 HB2 GLU R 49 14.559 0.816 5.858 1.00 0.00 H new ATOM 0 HB3 GLU R 49 15.107 1.155 7.487 1.00 0.00 H new ATOM 0 HG2 GLU R 49 14.976 3.711 6.620 1.00 0.00 H new ATOM 0 HG3 GLU R 49 13.829 3.027 5.486 1.00 0.00 H new ATOM 762 N ALA R 50 17.833 1.827 7.954 1.00 0.00 N ATOM 763 CA ALA R 50 18.613 2.506 9.023 1.00 0.00 C ATOM 764 C ALA R 50 19.999 2.913 8.528 1.00 0.00 C ATOM 765 O ALA R 50 20.597 3.831 9.049 1.00 0.00 O ATOM 766 CB ALA R 50 18.772 1.545 10.210 1.00 0.00 C ATOM 0 H ALA R 50 17.780 0.811 8.022 1.00 0.00 H new ATOM 0 HA ALA R 50 18.076 3.406 9.321 1.00 0.00 H new ATOM 0 HB1 ALA R 50 19.343 2.033 11.000 1.00 0.00 H new ATOM 0 HB2 ALA R 50 17.788 1.270 10.590 1.00 0.00 H new ATOM 0 HB3 ALA R 50 19.298 0.648 9.884 1.00 0.00 H new ATOM 772 N LEU R 51 20.489 2.233 7.526 1.00 0.00 N ATOM 773 CA LEU R 51 21.832 2.594 7.011 1.00 0.00 C ATOM 774 C LEU R 51 21.734 3.818 6.115 1.00 0.00 C ATOM 775 O LEU R 51 22.365 4.828 6.361 1.00 0.00 O ATOM 776 CB LEU R 51 22.392 1.429 6.177 1.00 0.00 C ATOM 777 CG LEU R 51 23.887 1.650 5.914 1.00 0.00 C ATOM 778 CD1 LEU R 51 24.615 0.319 6.078 1.00 0.00 C ATOM 779 CD2 LEU R 51 24.076 2.160 4.483 1.00 0.00 C ATOM 0 H LEU R 51 20.025 1.458 7.052 1.00 0.00 H new ATOM 0 HA LEU R 51 22.486 2.805 7.857 1.00 0.00 H new ATOM 0 HB2 LEU R 51 22.241 0.487 6.704 1.00 0.00 H new ATOM 0 HB3 LEU R 51 21.854 1.355 5.232 1.00 0.00 H new ATOM 0 HG LEU R 51 24.287 2.381 6.616 1.00 0.00 H new ATOM 0 HD11 LEU R 51 25.680 0.462 5.894 1.00 0.00 H new ATOM 0 HD12 LEU R 51 24.469 -0.053 7.092 1.00 0.00 H new ATOM 0 HD13 LEU R 51 24.217 -0.404 5.366 1.00 0.00 H new ATOM 0 HD21 LEU R 51 25.137 2.319 4.291 1.00 0.00 H new ATOM 0 HD22 LEU R 51 23.686 1.424 3.780 1.00 0.00 H new ATOM 0 HD23 LEU R 51 23.540 3.101 4.358 1.00 0.00 H new ATOM 791 N GLY R 52 20.936 3.706 5.093 1.00 0.00 N ATOM 792 CA GLY R 52 20.781 4.854 4.165 1.00 0.00 C ATOM 793 C GLY R 52 20.504 6.141 4.958 1.00 0.00 C ATOM 794 O GLY R 52 21.130 7.159 4.735 1.00 0.00 O ATOM 0 H GLY R 52 20.389 2.876 4.862 1.00 0.00 H new ATOM 0 HA2 GLY R 52 21.685 4.973 3.568 1.00 0.00 H new ATOM 0 HA3 GLY R 52 19.963 4.662 3.471 1.00 0.00 H new ATOM 798 N THR R 53 19.570 6.065 5.873 1.00 0.00 N ATOM 799 CA THR R 53 19.236 7.266 6.691 1.00 0.00 C ATOM 800 C THR R 53 20.410 7.693 7.573 1.00 0.00 C ATOM 801 O THR R 53 20.725 8.862 7.668 1.00 0.00 O ATOM 802 CB THR R 53 18.052 6.915 7.606 1.00 0.00 C ATOM 803 OG1 THR R 53 17.001 6.552 6.729 1.00 0.00 O ATOM 804 CG2 THR R 53 17.527 8.160 8.336 1.00 0.00 C ATOM 0 H THR R 53 19.028 5.227 6.087 1.00 0.00 H new ATOM 0 HA THR R 53 18.996 8.086 6.014 1.00 0.00 H new ATOM 0 HB THR R 53 18.357 6.154 8.325 1.00 0.00 H new ATOM 0 HG1 THR R 53 16.950 5.575 6.666 1.00 0.00 H new ATOM 0 HG21 THR R 53 16.690 7.881 8.976 1.00 0.00 H new ATOM 0 HG22 THR R 53 18.323 8.587 8.946 1.00 0.00 H new ATOM 0 HG23 THR R 53 17.195 8.897 7.605 1.00 0.00 H new ATOM 812 N ARG R 54 21.031 6.736 8.201 1.00 0.00 N ATOM 813 CA ARG R 54 22.184 7.059 9.082 1.00 0.00 C ATOM 814 C ARG R 54 23.357 7.628 8.284 1.00 0.00 C ATOM 815 O ARG R 54 24.270 8.203 8.842 1.00 0.00 O ATOM 816 CB ARG R 54 22.634 5.759 9.760 1.00 0.00 C ATOM 817 CG ARG R 54 23.984 5.993 10.442 1.00 0.00 C ATOM 818 CD ARG R 54 24.228 4.889 11.474 1.00 0.00 C ATOM 819 NE ARG R 54 23.890 3.575 10.859 1.00 0.00 N ATOM 820 CZ ARG R 54 24.830 2.684 10.682 1.00 0.00 C ATOM 821 NH1 ARG R 54 25.279 2.030 11.718 1.00 0.00 N ATOM 822 NH2 ARG R 54 25.291 2.481 9.477 1.00 0.00 N ATOM 0 H ARG R 54 20.790 5.747 8.142 1.00 0.00 H new ATOM 0 HA ARG R 54 21.875 7.809 9.810 1.00 0.00 H new ATOM 0 HB2 ARG R 54 21.892 5.440 10.493 1.00 0.00 H new ATOM 0 HB3 ARG R 54 22.718 4.960 9.023 1.00 0.00 H new ATOM 0 HG2 ARG R 54 24.783 5.997 9.701 1.00 0.00 H new ATOM 0 HG3 ARG R 54 23.995 6.969 10.927 1.00 0.00 H new ATOM 0 HD2 ARG R 54 25.269 4.898 11.797 1.00 0.00 H new ATOM 0 HD3 ARG R 54 23.617 5.059 12.361 1.00 0.00 H new ATOM 0 HE ARG R 54 22.931 3.372 10.578 1.00 0.00 H new ATOM 0 HH11 ARG R 54 24.897 2.218 12.645 1.00 0.00 H new ATOM 0 HH12 ARG R 54 26.012 1.331 11.601 1.00 0.00 H new ATOM 0 HH21 ARG R 54 24.918 3.014 8.692 1.00 0.00 H new ATOM 0 HH22 ARG R 54 26.024 1.789 9.321 1.00 0.00 H new ATOM 836 N VAL R 55 23.318 7.445 6.995 1.00 0.00 N ATOM 837 CA VAL R 55 24.419 7.964 6.142 1.00 0.00 C ATOM 838 C VAL R 55 24.054 9.340 5.594 1.00 0.00 C ATOM 839 O VAL R 55 24.892 10.214 5.438 1.00 0.00 O ATOM 840 CB VAL R 55 24.587 6.992 4.962 1.00 0.00 C ATOM 841 CG1 VAL R 55 25.381 7.660 3.836 1.00 0.00 C ATOM 842 CG2 VAL R 55 25.344 5.753 5.443 1.00 0.00 C ATOM 0 H VAL R 55 22.572 6.959 6.497 1.00 0.00 H new ATOM 0 HA VAL R 55 25.337 8.047 6.724 1.00 0.00 H new ATOM 0 HB VAL R 55 23.603 6.711 4.585 1.00 0.00 H new ATOM 0 HG11 VAL R 55 25.493 6.962 3.006 1.00 0.00 H new ATOM 0 HG12 VAL R 55 24.850 8.548 3.494 1.00 0.00 H new ATOM 0 HG13 VAL R 55 26.366 7.946 4.205 1.00 0.00 H new ATOM 0 HG21 VAL R 55 25.468 5.057 4.613 1.00 0.00 H new ATOM 0 HG22 VAL R 55 26.324 6.048 5.819 1.00 0.00 H new ATOM 0 HG23 VAL R 55 24.780 5.269 6.241 1.00 0.00 H new ATOM 852 N ARG R 56 22.788 9.499 5.343 1.00 0.00 N ATOM 853 CA ARG R 56 22.285 10.781 4.802 1.00 0.00 C ATOM 854 C ARG R 56 22.523 11.969 5.729 1.00 0.00 C ATOM 855 O ARG R 56 23.180 12.917 5.347 1.00 0.00 O ATOM 856 CB ARG R 56 20.781 10.640 4.597 1.00 0.00 C ATOM 857 CG ARG R 56 20.490 10.544 3.101 1.00 0.00 C ATOM 858 CD ARG R 56 19.014 10.215 2.898 1.00 0.00 C ATOM 859 NE ARG R 56 18.206 11.422 3.234 1.00 0.00 N ATOM 860 CZ ARG R 56 16.908 11.367 3.154 1.00 0.00 C ATOM 861 NH1 ARG R 56 16.303 10.263 3.501 1.00 0.00 N ATOM 862 NH2 ARG R 56 16.254 12.415 2.739 1.00 0.00 N ATOM 0 H ARG R 56 22.075 8.785 5.492 1.00 0.00 H new ATOM 0 HA ARG R 56 22.826 10.980 3.877 1.00 0.00 H new ATOM 0 HB2 ARG R 56 20.413 9.752 5.110 1.00 0.00 H new ATOM 0 HB3 ARG R 56 20.260 11.495 5.028 1.00 0.00 H new ATOM 0 HG2 ARG R 56 20.736 11.485 2.609 1.00 0.00 H new ATOM 0 HG3 ARG R 56 21.113 9.774 2.646 1.00 0.00 H new ATOM 0 HD2 ARG R 56 18.832 9.913 1.866 1.00 0.00 H new ATOM 0 HD3 ARG R 56 18.723 9.377 3.531 1.00 0.00 H new ATOM 0 HE ARG R 56 18.667 12.284 3.524 1.00 0.00 H new ATOM 0 HH11 ARG R 56 16.847 9.464 3.827 1.00 0.00 H new ATOM 0 HH12 ARG R 56 15.286 10.199 3.446 1.00 0.00 H new ATOM 0 HH21 ARG R 56 16.759 13.263 2.482 1.00 0.00 H new ATOM 0 HH22 ARG R 56 15.237 12.387 2.671 1.00 0.00 H new ATOM 876 N ILE R 57 21.994 11.915 6.923 1.00 0.00 N ATOM 877 CA ILE R 57 22.208 13.064 7.837 1.00 0.00 C ATOM 878 C ILE R 57 23.677 13.491 7.851 1.00 0.00 C ATOM 879 O ILE R 57 23.989 14.546 7.352 1.00 0.00 O ATOM 880 CB ILE R 57 21.709 12.710 9.247 1.00 0.00 C ATOM 881 CG1 ILE R 57 22.501 13.477 10.317 1.00 0.00 C ATOM 882 CG2 ILE R 57 21.882 11.207 9.479 1.00 0.00 C ATOM 883 CD1 ILE R 57 21.762 13.430 11.663 1.00 0.00 C ATOM 0 H ILE R 57 21.438 11.145 7.294 1.00 0.00 H new ATOM 0 HA ILE R 57 21.632 13.915 7.473 1.00 0.00 H new ATOM 0 HB ILE R 57 20.658 12.988 9.323 1.00 0.00 H new ATOM 0 HG12 ILE R 57 23.495 13.043 10.425 1.00 0.00 H new ATOM 0 HG13 ILE R 57 22.638 14.513 10.005 1.00 0.00 H new ATOM 0 HG21 ILE R 57 21.530 10.950 10.478 1.00 0.00 H new ATOM 0 HG22 ILE R 57 21.304 10.655 8.737 1.00 0.00 H new ATOM 0 HG23 ILE R 57 22.936 10.944 9.387 1.00 0.00 H new ATOM 0 HD11 ILE R 57 22.335 13.977 12.412 1.00 0.00 H new ATOM 0 HD12 ILE R 57 20.778 13.886 11.554 1.00 0.00 H new ATOM 0 HD13 ILE R 57 21.648 12.393 11.980 1.00 0.00 H new ATOM 895 N VAL R 58 24.551 12.674 8.385 1.00 0.00 N ATOM 896 CA VAL R 58 25.997 13.062 8.418 1.00 0.00 C ATOM 897 C VAL R 58 26.437 13.825 7.156 1.00 0.00 C ATOM 898 O VAL R 58 26.873 14.966 7.240 1.00 0.00 O ATOM 899 CB VAL R 58 26.858 11.794 8.553 1.00 0.00 C ATOM 900 CG1 VAL R 58 27.704 11.909 9.826 1.00 0.00 C ATOM 901 CG2 VAL R 58 25.963 10.557 8.664 1.00 0.00 C ATOM 0 H VAL R 58 24.331 11.766 8.795 1.00 0.00 H new ATOM 0 HA VAL R 58 26.133 13.726 9.271 1.00 0.00 H new ATOM 0 HB VAL R 58 27.496 11.696 7.675 1.00 0.00 H new ATOM 0 HG11 VAL R 58 28.320 11.017 9.935 1.00 0.00 H new ATOM 0 HG12 VAL R 58 28.346 12.787 9.758 1.00 0.00 H new ATOM 0 HG13 VAL R 58 27.048 12.005 10.691 1.00 0.00 H new ATOM 0 HG21 VAL R 58 26.584 9.666 8.759 1.00 0.00 H new ATOM 0 HG22 VAL R 58 25.323 10.649 9.542 1.00 0.00 H new ATOM 0 HG23 VAL R 58 25.344 10.474 7.771 1.00 0.00 H new ATOM 911 N GLU R 59 26.305 13.204 6.012 1.00 0.00 N ATOM 912 CA GLU R 59 26.720 13.899 4.756 1.00 0.00 C ATOM 913 C GLU R 59 25.901 15.164 4.484 1.00 0.00 C ATOM 914 O GLU R 59 26.417 16.130 3.961 1.00 0.00 O ATOM 915 CB GLU R 59 26.516 12.939 3.573 1.00 0.00 C ATOM 916 CG GLU R 59 26.874 13.665 2.270 1.00 0.00 C ATOM 917 CD GLU R 59 26.962 12.652 1.128 1.00 0.00 C ATOM 918 OE1 GLU R 59 26.453 11.563 1.328 1.00 0.00 O ATOM 919 OE2 GLU R 59 27.532 13.027 0.116 1.00 0.00 O ATOM 0 H GLU R 59 25.934 12.261 5.893 1.00 0.00 H new ATOM 0 HA GLU R 59 27.764 14.190 4.874 1.00 0.00 H new ATOM 0 HB2 GLU R 59 27.141 12.054 3.695 1.00 0.00 H new ATOM 0 HB3 GLU R 59 25.482 12.596 3.541 1.00 0.00 H new ATOM 0 HG2 GLU R 59 26.121 14.420 2.043 1.00 0.00 H new ATOM 0 HG3 GLU R 59 27.825 14.187 2.381 1.00 0.00 H new ATOM 926 N GLU R 60 24.645 15.142 4.835 1.00 0.00 N ATOM 927 CA GLU R 60 23.808 16.350 4.587 1.00 0.00 C ATOM 928 C GLU R 60 23.833 17.326 5.760 1.00 0.00 C ATOM 929 O GLU R 60 23.386 18.450 5.630 1.00 0.00 O ATOM 930 CB GLU R 60 22.355 15.900 4.365 1.00 0.00 C ATOM 931 CG GLU R 60 21.552 17.064 3.775 1.00 0.00 C ATOM 932 CD GLU R 60 20.167 16.570 3.353 1.00 0.00 C ATOM 933 OE1 GLU R 60 20.052 15.369 3.167 1.00 0.00 O ATOM 934 OE2 GLU R 60 19.302 17.422 3.240 1.00 0.00 O ATOM 0 H GLU R 60 24.168 14.355 5.275 1.00 0.00 H new ATOM 0 HA GLU R 60 24.213 16.862 3.714 1.00 0.00 H new ATOM 0 HB2 GLU R 60 22.326 15.044 3.691 1.00 0.00 H new ATOM 0 HB3 GLU R 60 21.913 15.579 5.308 1.00 0.00 H new ATOM 0 HG2 GLU R 60 21.456 17.863 4.511 1.00 0.00 H new ATOM 0 HG3 GLU R 60 22.077 17.483 2.917 1.00 0.00 H new ATOM 941 N LEU R 61 24.364 16.910 6.879 1.00 0.00 N ATOM 942 CA LEU R 61 24.394 17.841 8.022 1.00 0.00 C ATOM 943 C LEU R 61 25.576 18.793 7.894 1.00 0.00 C ATOM 944 O LEU R 61 25.461 19.950 8.251 1.00 0.00 O ATOM 945 CB LEU R 61 24.422 17.023 9.336 1.00 0.00 C ATOM 946 CG LEU R 61 25.751 17.151 10.082 1.00 0.00 C ATOM 947 CD1 LEU R 61 25.916 18.566 10.638 1.00 0.00 C ATOM 948 CD2 LEU R 61 25.720 16.182 11.263 1.00 0.00 C ATOM 0 H LEU R 61 24.767 15.987 7.041 1.00 0.00 H new ATOM 0 HA LEU R 61 23.497 18.461 8.034 1.00 0.00 H new ATOM 0 HB2 LEU R 61 23.612 17.357 9.985 1.00 0.00 H new ATOM 0 HB3 LEU R 61 24.237 15.973 9.110 1.00 0.00 H new ATOM 0 HG LEU R 61 26.573 16.933 9.400 1.00 0.00 H new ATOM 0 HD11 LEU R 61 26.867 18.641 11.166 1.00 0.00 H new ATOM 0 HD12 LEU R 61 25.899 19.284 9.818 1.00 0.00 H new ATOM 0 HD13 LEU R 61 25.100 18.784 11.327 1.00 0.00 H new ATOM 0 HD21 LEU R 61 26.657 16.251 11.815 1.00 0.00 H new ATOM 0 HD22 LEU R 61 24.891 16.438 11.922 1.00 0.00 H new ATOM 0 HD23 LEU R 61 25.590 15.164 10.895 1.00 0.00 H new ATOM 1426 N PRO R 93 25.547 19.105 20.329 1.00 0.00 N ATOM 1427 CA PRO R 93 26.013 18.504 19.069 1.00 0.00 C ATOM 1428 C PRO R 93 27.424 18.980 18.742 1.00 0.00 C ATOM 1429 O PRO R 93 28.094 18.422 17.899 1.00 0.00 O ATOM 1430 CB PRO R 93 25.043 19.035 18.000 1.00 0.00 C ATOM 1431 CG PRO R 93 23.940 19.835 18.732 1.00 0.00 C ATOM 1432 CD PRO R 93 24.387 20.004 20.191 1.00 0.00 C ATOM 0 HA PRO R 93 26.035 17.416 19.124 1.00 0.00 H new ATOM 0 HB2 PRO R 93 25.568 19.670 17.287 1.00 0.00 H new ATOM 0 HB3 PRO R 93 24.608 18.212 17.434 1.00 0.00 H new ATOM 0 HG2 PRO R 93 23.794 20.807 18.260 1.00 0.00 H new ATOM 0 HG3 PRO R 93 22.987 19.309 18.681 1.00 0.00 H new ATOM 0 HD2 PRO R 93 24.658 21.038 20.406 1.00 0.00 H new ATOM 0 HD3 PRO R 93 23.590 19.733 20.884 1.00 0.00 H new ATOM 1440 N VAL R 94 27.841 20.018 19.415 1.00 0.00 N ATOM 1441 CA VAL R 94 29.205 20.545 19.158 1.00 0.00 C ATOM 1442 C VAL R 94 30.239 19.435 19.336 1.00 0.00 C ATOM 1443 O VAL R 94 31.403 19.613 19.038 1.00 0.00 O ATOM 1444 CB VAL R 94 29.490 21.683 20.151 1.00 0.00 C ATOM 1445 CG1 VAL R 94 30.011 21.103 21.465 1.00 0.00 C ATOM 1446 CG2 VAL R 94 30.547 22.620 19.557 1.00 0.00 C ATOM 0 H VAL R 94 27.302 20.517 20.123 1.00 0.00 H new ATOM 0 HA VAL R 94 29.267 20.918 18.136 1.00 0.00 H new ATOM 0 HB VAL R 94 28.570 22.236 20.340 1.00 0.00 H new ATOM 0 HG11 VAL R 94 30.212 21.913 22.166 1.00 0.00 H new ATOM 0 HG12 VAL R 94 29.263 20.433 21.889 1.00 0.00 H new ATOM 0 HG13 VAL R 94 30.931 20.548 21.279 1.00 0.00 H new ATOM 0 HG21 VAL R 94 30.752 23.429 20.259 1.00 0.00 H new ATOM 0 HG22 VAL R 94 31.464 22.062 19.369 1.00 0.00 H new ATOM 0 HG23 VAL R 94 30.178 23.037 18.620 1.00 0.00 H new ATOM 1456 N GLU R 95 29.792 18.306 19.825 1.00 0.00 N ATOM 1457 CA GLU R 95 30.741 17.175 20.023 1.00 0.00 C ATOM 1458 C GLU R 95 30.890 16.417 18.708 1.00 0.00 C ATOM 1459 O GLU R 95 31.902 15.804 18.444 1.00 0.00 O ATOM 1460 CB GLU R 95 30.177 16.211 21.080 1.00 0.00 C ATOM 1461 CG GLU R 95 30.174 16.890 22.450 1.00 0.00 C ATOM 1462 CD GLU R 95 29.334 16.056 23.426 1.00 0.00 C ATOM 1463 OE1 GLU R 95 29.244 14.866 23.179 1.00 0.00 O ATOM 1464 OE2 GLU R 95 28.831 16.659 24.361 1.00 0.00 O ATOM 0 H GLU R 95 28.825 18.122 20.092 1.00 0.00 H new ATOM 0 HA GLU R 95 31.705 17.563 20.351 1.00 0.00 H new ATOM 0 HB2 GLU R 95 29.164 15.912 20.810 1.00 0.00 H new ATOM 0 HB3 GLU R 95 30.779 15.303 21.115 1.00 0.00 H new ATOM 0 HG2 GLU R 95 31.194 16.989 22.822 1.00 0.00 H new ATOM 0 HG3 GLU R 95 29.765 17.897 22.369 1.00 0.00 H new ATOM 1471 N LEU R 96 29.854 16.474 17.918 1.00 0.00 N ATOM 1472 CA LEU R 96 29.873 15.776 16.602 1.00 0.00 C ATOM 1473 C LEU R 96 30.791 16.488 15.610 1.00 0.00 C ATOM 1474 O LEU R 96 31.574 15.867 14.916 1.00 0.00 O ATOM 1475 CB LEU R 96 28.446 15.808 16.043 1.00 0.00 C ATOM 1476 CG LEU R 96 28.146 14.508 15.285 1.00 0.00 C ATOM 1477 CD1 LEU R 96 26.726 14.580 14.725 1.00 0.00 C ATOM 1478 CD2 LEU R 96 29.135 14.349 14.123 1.00 0.00 C ATOM 0 H LEU R 96 28.991 16.976 18.128 1.00 0.00 H new ATOM 0 HA LEU R 96 30.238 14.758 16.741 1.00 0.00 H new ATOM 0 HB2 LEU R 96 27.732 15.937 16.856 1.00 0.00 H new ATOM 0 HB3 LEU R 96 28.328 16.662 15.376 1.00 0.00 H new ATOM 0 HG LEU R 96 28.242 13.659 15.962 1.00 0.00 H new ATOM 0 HD11 LEU R 96 26.501 13.661 14.184 1.00 0.00 H new ATOM 0 HD12 LEU R 96 26.017 14.701 15.544 1.00 0.00 H new ATOM 0 HD13 LEU R 96 26.645 15.429 14.047 1.00 0.00 H new ATOM 0 HD21 LEU R 96 28.920 13.425 13.586 1.00 0.00 H new ATOM 0 HD22 LEU R 96 29.036 15.195 13.443 1.00 0.00 H new ATOM 0 HD23 LEU R 96 30.152 14.314 14.513 1.00 0.00 H new ATOM 1490 N ARG R 97 30.682 17.782 15.570 1.00 0.00 N ATOM 1491 CA ARG R 97 31.520 18.556 14.646 1.00 0.00 C ATOM 1492 C ARG R 97 32.994 18.180 14.786 1.00 0.00 C ATOM 1493 O ARG R 97 33.761 18.327 13.857 1.00 0.00 O ATOM 1494 CB ARG R 97 31.315 20.033 14.990 1.00 0.00 C ATOM 1495 CG ARG R 97 29.891 20.434 14.591 1.00 0.00 C ATOM 1496 CD ARG R 97 29.661 21.918 14.878 1.00 0.00 C ATOM 1497 NE ARG R 97 28.904 22.501 13.739 1.00 0.00 N ATOM 1498 CZ ARG R 97 29.200 23.696 13.313 1.00 0.00 C ATOM 1499 NH1 ARG R 97 30.451 23.999 13.101 1.00 0.00 N ATOM 1500 NH2 ARG R 97 28.234 24.542 13.102 1.00 0.00 N ATOM 0 H ARG R 97 30.043 18.332 16.144 1.00 0.00 H new ATOM 0 HA ARG R 97 31.236 18.347 13.615 1.00 0.00 H new ATOM 0 HB2 ARG R 97 31.470 20.198 16.056 1.00 0.00 H new ATOM 0 HB3 ARG R 97 32.043 20.649 14.463 1.00 0.00 H new ATOM 0 HG2 ARG R 97 29.732 20.232 13.532 1.00 0.00 H new ATOM 0 HG3 ARG R 97 29.168 19.833 15.142 1.00 0.00 H new ATOM 0 HD2 ARG R 97 29.105 22.043 15.807 1.00 0.00 H new ATOM 0 HD3 ARG R 97 30.614 22.433 15.004 1.00 0.00 H new ATOM 0 HE ARG R 97 28.157 21.968 13.294 1.00 0.00 H new ATOM 0 HH11 ARG R 97 31.179 23.305 13.269 1.00 0.00 H new ATOM 0 HH12 ARG R 97 30.701 24.930 12.767 1.00 0.00 H new ATOM 0 HH21 ARG R 97 27.267 24.264 13.270 1.00 0.00 H new ATOM 0 HH22 ARG R 97 28.444 25.483 12.768 1.00 0.00 H new ATOM 1514 N GLN R 98 33.357 17.677 15.934 1.00 0.00 N ATOM 1515 CA GLN R 98 34.769 17.286 16.147 1.00 0.00 C ATOM 1516 C GLN R 98 35.224 16.221 15.153 1.00 0.00 C ATOM 1517 O GLN R 98 36.084 16.472 14.329 1.00 0.00 O ATOM 1518 CB GLN R 98 34.876 16.690 17.551 1.00 0.00 C ATOM 1519 CG GLN R 98 34.708 17.789 18.602 1.00 0.00 C ATOM 1520 CD GLN R 98 35.698 17.547 19.744 1.00 0.00 C ATOM 1521 OE1 GLN R 98 35.387 16.900 20.724 1.00 0.00 O ATOM 1522 NE2 GLN R 98 36.903 18.045 19.653 1.00 0.00 N ATOM 0 H GLN R 98 32.736 17.522 16.728 1.00 0.00 H new ATOM 0 HA GLN R 98 35.396 18.168 16.015 1.00 0.00 H new ATOM 0 HB2 GLN R 98 34.113 15.924 17.689 1.00 0.00 H new ATOM 0 HB3 GLN R 98 35.843 16.202 17.675 1.00 0.00 H new ATOM 0 HG2 GLN R 98 34.883 18.767 18.154 1.00 0.00 H new ATOM 0 HG3 GLN R 98 33.687 17.791 18.984 1.00 0.00 H new ATOM 0 HE21 GLN R 98 37.169 18.589 18.832 1.00 0.00 H new ATOM 0 HE22 GLN R 98 37.577 17.890 20.403 1.00 0.00 H new ATOM 1531 N TRP R 99 34.648 15.048 15.242 1.00 0.00 N ATOM 1532 CA TRP R 99 35.072 13.982 14.285 1.00 0.00 C ATOM 1533 C TRP R 99 34.708 14.349 12.855 1.00 0.00 C ATOM 1534 O TRP R 99 35.546 14.373 11.971 1.00 0.00 O ATOM 1535 CB TRP R 99 34.406 12.622 14.586 1.00 0.00 C ATOM 1536 CG TRP R 99 35.000 11.667 13.582 1.00 0.00 C ATOM 1537 CD1 TRP R 99 36.297 11.320 13.554 1.00 0.00 C ATOM 1538 CD2 TRP R 99 34.323 11.031 12.643 1.00 0.00 C ATOM 1539 NE1 TRP R 99 36.354 10.432 12.567 1.00 0.00 N ATOM 1540 CE2 TRP R 99 35.175 10.193 11.955 1.00 0.00 C ATOM 1541 CE3 TRP R 99 32.977 11.068 12.303 1.00 0.00 C ATOM 1542 CZ2 TRP R 99 34.702 9.395 10.963 1.00 0.00 C ATOM 1543 CZ3 TRP R 99 32.510 10.253 11.305 1.00 0.00 C ATOM 1544 CH2 TRP R 99 33.374 9.422 10.638 1.00 0.00 C ATOM 0 H TRP R 99 33.925 14.787 15.913 1.00 0.00 H new ATOM 0 HA TRP R 99 36.152 13.898 14.404 1.00 0.00 H new ATOM 0 HB2 TRP R 99 34.611 12.299 15.607 1.00 0.00 H new ATOM 0 HB3 TRP R 99 33.323 12.681 14.482 1.00 0.00 H new ATOM 0 HD1 TRP R 99 37.100 11.677 14.182 1.00 0.00 H new ATOM 0 HE1 TRP R 99 37.220 9.968 12.294 1.00 0.00 H new ATOM 0 HE3 TRP R 99 32.303 11.734 12.821 1.00 0.00 H new ATOM 0 HZ2 TRP R 99 35.375 8.739 10.431 1.00 0.00 H new ATOM 0 HZ3 TRP R 99 31.462 10.265 11.044 1.00 0.00 H new ATOM 0 HH2 TRP R 99 33.002 8.784 9.850 1.00 0.00 H new ATOM 1555 N LEU R 100 33.458 14.602 12.659 1.00 0.00 N ATOM 1556 CA LEU R 100 32.980 14.971 11.306 1.00 0.00 C ATOM 1557 C LEU R 100 33.949 15.898 10.549 1.00 0.00 C ATOM 1558 O LEU R 100 34.206 15.686 9.381 1.00 0.00 O ATOM 1559 CB LEU R 100 31.646 15.684 11.472 1.00 0.00 C ATOM 1560 CG LEU R 100 30.595 15.032 10.570 1.00 0.00 C ATOM 1561 CD1 LEU R 100 29.265 15.755 10.780 1.00 0.00 C ATOM 1562 CD2 LEU R 100 31.006 15.137 9.087 1.00 0.00 C ATOM 0 H LEU R 100 32.738 14.570 13.380 1.00 0.00 H new ATOM 0 HA LEU R 100 32.896 14.058 10.716 1.00 0.00 H new ATOM 0 HB2 LEU R 100 31.325 15.637 12.513 1.00 0.00 H new ATOM 0 HB3 LEU R 100 31.753 16.739 11.218 1.00 0.00 H new ATOM 0 HG LEU R 100 30.505 13.976 10.826 1.00 0.00 H new ATOM 0 HD11 LEU R 100 28.502 15.305 10.145 1.00 0.00 H new ATOM 0 HD12 LEU R 100 28.965 15.669 11.824 1.00 0.00 H new ATOM 0 HD13 LEU R 100 29.378 16.808 10.520 1.00 0.00 H new ATOM 0 HD21 LEU R 100 30.245 14.667 8.464 1.00 0.00 H new ATOM 0 HD22 LEU R 100 31.104 16.187 8.810 1.00 0.00 H new ATOM 0 HD23 LEU R 100 31.960 14.631 8.937 1.00 0.00 H new ATOM 1574 N GLU R 101 34.478 16.903 11.202 1.00 0.00 N ATOM 1575 CA GLU R 101 35.411 17.804 10.474 1.00 0.00 C ATOM 1576 C GLU R 101 36.660 17.059 10.003 1.00 0.00 C ATOM 1577 O GLU R 101 37.196 17.351 8.956 1.00 0.00 O ATOM 1578 CB GLU R 101 35.827 18.940 11.415 1.00 0.00 C ATOM 1579 CG GLU R 101 35.083 20.215 11.002 1.00 0.00 C ATOM 1580 CD GLU R 101 35.445 21.350 11.962 1.00 0.00 C ATOM 1581 OE1 GLU R 101 36.235 21.076 12.848 1.00 0.00 O ATOM 1582 OE2 GLU R 101 34.909 22.425 11.755 1.00 0.00 O ATOM 0 H GLU R 101 34.308 17.132 12.181 1.00 0.00 H new ATOM 0 HA GLU R 101 34.900 18.194 9.593 1.00 0.00 H new ATOM 0 HB2 GLU R 101 35.591 18.682 12.447 1.00 0.00 H new ATOM 0 HB3 GLU R 101 36.904 19.098 11.365 1.00 0.00 H new ATOM 0 HG2 GLU R 101 35.348 20.489 9.981 1.00 0.00 H new ATOM 0 HG3 GLU R 101 34.007 20.042 11.016 1.00 0.00 H new ATOM 1589 N GLU R 102 37.091 16.103 10.771 1.00 0.00 N ATOM 1590 CA GLU R 102 38.304 15.335 10.373 1.00 0.00 C ATOM 1591 C GLU R 102 38.084 14.470 9.122 1.00 0.00 C ATOM 1592 O GLU R 102 38.946 14.405 8.265 1.00 0.00 O ATOM 1593 CB GLU R 102 38.669 14.399 11.528 1.00 0.00 C ATOM 1594 CG GLU R 102 38.835 15.211 12.810 1.00 0.00 C ATOM 1595 CD GLU R 102 40.065 14.701 13.559 1.00 0.00 C ATOM 1596 OE1 GLU R 102 39.907 13.695 14.232 1.00 0.00 O ATOM 1597 OE2 GLU R 102 41.096 15.337 13.409 1.00 0.00 O ATOM 0 H GLU R 102 36.661 15.819 11.652 1.00 0.00 H new ATOM 0 HA GLU R 102 39.090 16.055 10.146 1.00 0.00 H new ATOM 0 HB2 GLU R 102 37.891 13.647 11.660 1.00 0.00 H new ATOM 0 HB3 GLU R 102 39.592 13.866 11.300 1.00 0.00 H new ATOM 0 HG2 GLU R 102 38.948 16.269 12.575 1.00 0.00 H new ATOM 0 HG3 GLU R 102 37.947 15.117 13.434 1.00 0.00 H new ATOM 1604 N VAL R 103 36.945 13.825 9.029 1.00 0.00 N ATOM 1605 CA VAL R 103 36.697 12.963 7.823 1.00 0.00 C ATOM 1606 C VAL R 103 36.188 13.718 6.579 1.00 0.00 C ATOM 1607 O VAL R 103 36.633 13.435 5.486 1.00 0.00 O ATOM 1608 CB VAL R 103 35.680 11.861 8.187 1.00 0.00 C ATOM 1609 CG1 VAL R 103 34.505 12.460 8.962 1.00 0.00 C ATOM 1610 CG2 VAL R 103 35.153 11.226 6.898 1.00 0.00 C ATOM 0 H VAL R 103 36.192 13.854 9.716 1.00 0.00 H new ATOM 0 HA VAL R 103 37.669 12.551 7.550 1.00 0.00 H new ATOM 0 HB VAL R 103 36.172 11.112 8.807 1.00 0.00 H new ATOM 0 HG11 VAL R 103 33.795 11.672 9.213 1.00 0.00 H new ATOM 0 HG12 VAL R 103 34.872 12.923 9.878 1.00 0.00 H new ATOM 0 HG13 VAL R 103 34.010 13.213 8.348 1.00 0.00 H new ATOM 0 HG21 VAL R 103 34.433 10.446 7.145 1.00 0.00 H new ATOM 0 HG22 VAL R 103 34.667 11.988 6.289 1.00 0.00 H new ATOM 0 HG23 VAL R 103 35.983 10.791 6.341 1.00 0.00 H new ATOM 1620 N LEU R 104 35.281 14.648 6.730 1.00 0.00 N ATOM 1621 CA LEU R 104 34.798 15.368 5.502 1.00 0.00 C ATOM 1622 C LEU R 104 35.775 16.456 5.035 1.00 0.00 C ATOM 1623 O LEU R 104 36.115 16.525 3.873 1.00 0.00 O ATOM 1624 CB LEU R 104 33.438 16.022 5.795 1.00 0.00 C ATOM 1625 CG LEU R 104 32.374 15.390 4.879 1.00 0.00 C ATOM 1626 CD1 LEU R 104 32.204 13.909 5.236 1.00 0.00 C ATOM 1627 CD2 LEU R 104 31.033 16.108 5.066 1.00 0.00 C ATOM 0 H LEU R 104 34.863 14.937 7.614 1.00 0.00 H new ATOM 0 HA LEU R 104 34.715 14.627 4.707 1.00 0.00 H new ATOM 0 HB2 LEU R 104 33.168 15.878 6.841 1.00 0.00 H new ATOM 0 HB3 LEU R 104 33.492 17.097 5.624 1.00 0.00 H new ATOM 0 HG LEU R 104 32.696 15.485 3.842 1.00 0.00 H new ATOM 0 HD11 LEU R 104 31.451 13.462 4.587 1.00 0.00 H new ATOM 0 HD12 LEU R 104 33.153 13.391 5.100 1.00 0.00 H new ATOM 0 HD13 LEU R 104 31.887 13.819 6.275 1.00 0.00 H new ATOM 0 HD21 LEU R 104 30.284 15.656 4.415 1.00 0.00 H new ATOM 0 HD22 LEU R 104 30.713 16.017 6.104 1.00 0.00 H new ATOM 0 HD23 LEU R 104 31.146 17.162 4.812 1.00 0.00 H new ATOM 1639 N LEU R 105 36.204 17.280 5.947 1.00 0.00 N ATOM 1640 CA LEU R 105 37.156 18.371 5.577 1.00 0.00 C ATOM 1641 C LEU R 105 38.455 17.842 4.944 1.00 0.00 C ATOM 1642 O LEU R 105 38.928 18.383 3.964 1.00 0.00 O ATOM 1643 CB LEU R 105 37.525 19.113 6.867 1.00 0.00 C ATOM 1644 CG LEU R 105 38.002 20.539 6.562 1.00 0.00 C ATOM 1645 CD1 LEU R 105 36.803 21.486 6.410 1.00 0.00 C ATOM 1646 CD2 LEU R 105 38.853 21.020 7.740 1.00 0.00 C ATOM 0 H LEU R 105 35.940 17.249 6.932 1.00 0.00 H new ATOM 0 HA LEU R 105 36.670 19.012 4.841 1.00 0.00 H new ATOM 0 HB2 LEU R 105 36.661 19.149 7.531 1.00 0.00 H new ATOM 0 HB3 LEU R 105 38.309 18.568 7.393 1.00 0.00 H new ATOM 0 HG LEU R 105 38.574 20.537 5.634 1.00 0.00 H new ATOM 0 HD11 LEU R 105 37.160 22.493 6.194 1.00 0.00 H new ATOM 0 HD12 LEU R 105 36.169 21.142 5.592 1.00 0.00 H new ATOM 0 HD13 LEU R 105 36.227 21.496 7.336 1.00 0.00 H new ATOM 0 HD21 LEU R 105 39.204 22.033 7.545 1.00 0.00 H new ATOM 0 HD22 LEU R 105 38.253 21.012 8.650 1.00 0.00 H new ATOM 0 HD23 LEU R 105 39.709 20.357 7.865 1.00 0.00 H new ATOM 1871 N HIS S 16 24.064 -0.676 -5.615 1.00 0.00 N ATOM 1872 CA HIS S 16 24.971 -0.560 -4.447 1.00 0.00 C ATOM 1873 C HIS S 16 25.985 0.557 -4.659 1.00 0.00 C ATOM 1874 O HIS S 16 27.177 0.336 -4.642 1.00 0.00 O ATOM 1875 CB HIS S 16 25.715 -1.892 -4.218 1.00 0.00 C ATOM 1876 CG HIS S 16 26.170 -2.503 -5.551 1.00 0.00 C ATOM 1877 ND1 HIS S 16 25.744 -3.599 -6.029 1.00 0.00 N ATOM 1878 CD2 HIS S 16 27.110 -2.057 -6.467 1.00 0.00 C ATOM 1879 CE1 HIS S 16 26.320 -3.863 -7.141 1.00 0.00 C ATOM 1880 NE2 HIS S 16 27.199 -2.930 -7.483 1.00 0.00 N ATOM 0 HA HIS S 16 24.367 -0.325 -3.571 1.00 0.00 H new ATOM 0 HB2 HIS S 16 26.580 -1.724 -3.577 1.00 0.00 H new ATOM 0 HB3 HIS S 16 25.063 -2.592 -3.696 1.00 0.00 H new ATOM 0 HD2 HIS S 16 27.683 -1.146 -6.377 1.00 0.00 H new ATOM 0 HE1 HIS S 16 26.114 -4.743 -7.732 1.00 0.00 H new ATOM 0 HE2 HIS S 16 27.794 -2.887 -8.311 1.00 0.00 H new ATOM 1888 N GLN S 17 25.485 1.744 -4.860 1.00 0.00 N ATOM 1889 CA GLN S 17 26.397 2.895 -5.074 1.00 0.00 C ATOM 1890 C GLN S 17 26.635 3.612 -3.752 1.00 0.00 C ATOM 1891 O GLN S 17 27.662 4.227 -3.549 1.00 0.00 O ATOM 1892 CB GLN S 17 25.733 3.870 -6.051 1.00 0.00 C ATOM 1893 CG GLN S 17 24.907 3.074 -7.062 1.00 0.00 C ATOM 1894 CD GLN S 17 24.457 4.000 -8.194 1.00 0.00 C ATOM 1895 OE1 GLN S 17 24.156 5.157 -7.982 1.00 0.00 O ATOM 1896 NE2 GLN S 17 24.404 3.530 -9.411 1.00 0.00 N ATOM 0 H GLN S 17 24.489 1.964 -4.885 1.00 0.00 H new ATOM 0 HA GLN S 17 27.348 2.541 -5.473 1.00 0.00 H new ATOM 0 HB2 GLN S 17 25.095 4.569 -5.510 1.00 0.00 H new ATOM 0 HB3 GLN S 17 26.490 4.462 -6.566 1.00 0.00 H new ATOM 0 HG2 GLN S 17 25.499 2.251 -7.464 1.00 0.00 H new ATOM 0 HG3 GLN S 17 24.039 2.633 -6.572 1.00 0.00 H new ATOM 0 HE21 GLN S 17 24.656 2.559 -9.594 1.00 0.00 H new ATOM 0 HE22 GLN S 17 24.111 4.134 -10.179 1.00 0.00 H new ATOM 1905 N GLU S 18 25.666 3.521 -2.882 1.00 0.00 N ATOM 1906 CA GLU S 18 25.795 4.182 -1.559 1.00 0.00 C ATOM 1907 C GLU S 18 26.219 3.160 -0.505 1.00 0.00 C ATOM 1908 O GLU S 18 27.100 3.404 0.300 1.00 0.00 O ATOM 1909 CB GLU S 18 24.420 4.745 -1.157 1.00 0.00 C ATOM 1910 CG GLU S 18 23.767 5.435 -2.357 1.00 0.00 C ATOM 1911 CD GLU S 18 23.176 6.773 -1.908 1.00 0.00 C ATOM 1912 OE1 GLU S 18 23.953 7.710 -1.844 1.00 0.00 O ATOM 1913 OE2 GLU S 18 21.986 6.779 -1.643 1.00 0.00 O ATOM 0 H GLU S 18 24.792 3.017 -3.033 1.00 0.00 H new ATOM 0 HA GLU S 18 26.540 4.975 -1.622 1.00 0.00 H new ATOM 0 HB2 GLU S 18 23.779 3.940 -0.797 1.00 0.00 H new ATOM 0 HB3 GLU S 18 24.533 5.454 -0.337 1.00 0.00 H new ATOM 0 HG2 GLU S 18 24.503 5.595 -3.145 1.00 0.00 H new ATOM 0 HG3 GLU S 18 22.985 4.801 -2.775 1.00 0.00 H new ATOM 1920 N TRP S 19 25.573 2.027 -0.551 1.00 0.00 N ATOM 1921 CA TRP S 19 25.876 0.935 0.414 1.00 0.00 C ATOM 1922 C TRP S 19 27.379 0.708 0.600 1.00 0.00 C ATOM 1923 O TRP S 19 27.768 0.018 1.514 1.00 0.00 O ATOM 1924 CB TRP S 19 25.251 -0.347 -0.132 1.00 0.00 C ATOM 1925 CG TRP S 19 25.615 -1.504 0.790 1.00 0.00 C ATOM 1926 CD1 TRP S 19 26.666 -2.326 0.609 1.00 0.00 C ATOM 1927 CD2 TRP S 19 24.951 -1.843 1.896 1.00 0.00 C ATOM 1928 NE1 TRP S 19 26.600 -3.153 1.642 1.00 0.00 N ATOM 1929 CE2 TRP S 19 25.570 -2.932 2.487 1.00 0.00 C ATOM 1930 CE3 TRP S 19 23.793 -1.324 2.466 1.00 0.00 C ATOM 1931 CZ2 TRP S 19 25.049 -3.503 3.623 1.00 0.00 C ATOM 1932 CZ3 TRP S 19 23.270 -1.909 3.599 1.00 0.00 C ATOM 1933 CH2 TRP S 19 23.899 -2.999 4.174 1.00 0.00 C ATOM 0 H TRP S 19 24.839 1.810 -1.225 1.00 0.00 H new ATOM 0 HA TRP S 19 25.471 1.214 1.386 1.00 0.00 H new ATOM 0 HB2 TRP S 19 24.168 -0.241 -0.195 1.00 0.00 H new ATOM 0 HB3 TRP S 19 25.612 -0.542 -1.142 1.00 0.00 H new ATOM 0 HD1 TRP S 19 27.392 -2.314 -0.190 1.00 0.00 H new ATOM 0 HE1 TRP S 19 27.277 -3.902 1.788 1.00 0.00 H new ATOM 0 HE3 TRP S 19 23.307 -0.467 2.023 1.00 0.00 H new ATOM 0 HZ2 TRP S 19 25.544 -4.347 4.081 1.00 0.00 H new ATOM 0 HZ3 TRP S 19 22.366 -1.515 4.040 1.00 0.00 H new ATOM 0 HH2 TRP S 19 23.483 -3.455 5.060 1.00 0.00 H new ATOM 1944 N LEU S 20 28.187 1.230 -0.299 1.00 0.00 N ATOM 1945 CA LEU S 20 29.669 1.039 -0.158 1.00 0.00 C ATOM 1946 C LEU S 20 30.386 2.368 0.110 1.00 0.00 C ATOM 1947 O LEU S 20 30.881 2.601 1.194 1.00 0.00 O ATOM 1948 CB LEU S 20 30.238 0.416 -1.452 1.00 0.00 C ATOM 1949 CG LEU S 20 29.597 -0.961 -1.680 1.00 0.00 C ATOM 1950 CD1 LEU S 20 29.708 -1.349 -3.154 1.00 0.00 C ATOM 1951 CD2 LEU S 20 30.321 -2.033 -0.849 1.00 0.00 C ATOM 0 H LEU S 20 27.890 1.771 -1.111 1.00 0.00 H new ATOM 0 HA LEU S 20 29.839 0.377 0.691 1.00 0.00 H new ATOM 0 HB2 LEU S 20 30.037 1.068 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU S 20 31.321 0.317 -1.376 1.00 0.00 H new ATOM 0 HG LEU S 20 28.551 -0.902 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU S 20 29.251 -2.327 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU S 20 29.193 -0.608 -3.765 1.00 0.00 H new ATOM 0 HD13 LEU S 20 30.759 -1.390 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU S 20 29.855 -3.003 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU S 20 31.369 -2.076 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU S 20 30.253 -1.781 0.209 1.00 0.00 H new ATOM 1963 N ARG S 21 30.425 3.200 -0.894 1.00 0.00 N ATOM 1964 CA ARG S 21 31.096 4.527 -0.761 1.00 0.00 C ATOM 1965 C ARG S 21 30.961 5.138 0.636 1.00 0.00 C ATOM 1966 O ARG S 21 31.844 5.849 1.078 1.00 0.00 O ATOM 1967 CB ARG S 21 30.434 5.481 -1.763 1.00 0.00 C ATOM 1968 CG ARG S 21 31.426 6.566 -2.177 1.00 0.00 C ATOM 1969 CD ARG S 21 30.692 7.601 -3.033 1.00 0.00 C ATOM 1970 NE ARG S 21 31.687 8.392 -3.812 1.00 0.00 N ATOM 1971 CZ ARG S 21 31.612 8.409 -5.118 1.00 0.00 C ATOM 1972 NH1 ARG S 21 32.034 7.376 -5.794 1.00 0.00 N ATOM 1973 NH2 ARG S 21 31.118 9.464 -5.707 1.00 0.00 N ATOM 0 H ARG S 21 30.017 3.016 -1.811 1.00 0.00 H new ATOM 0 HA ARG S 21 32.160 4.382 -0.948 1.00 0.00 H new ATOM 0 HB2 ARG S 21 30.100 4.927 -2.640 1.00 0.00 H new ATOM 0 HB3 ARG S 21 29.549 5.935 -1.317 1.00 0.00 H new ATOM 0 HG2 ARG S 21 31.856 7.041 -1.295 1.00 0.00 H new ATOM 0 HG3 ARG S 21 32.252 6.129 -2.738 1.00 0.00 H new ATOM 0 HD2 ARG S 21 29.997 7.103 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG S 21 30.102 8.262 -2.398 1.00 0.00 H new ATOM 0 HE ARG S 21 32.419 8.915 -3.331 1.00 0.00 H new ATOM 0 HH11 ARG S 21 32.417 6.568 -5.304 1.00 0.00 H new ATOM 0 HH12 ARG S 21 31.981 7.377 -6.813 1.00 0.00 H new ATOM 0 HH21 ARG S 21 30.799 10.256 -5.150 1.00 0.00 H new ATOM 0 HH22 ARG S 21 31.051 9.496 -6.724 1.00 0.00 H new ATOM 1987 N PHE S 22 29.877 4.848 1.311 1.00 0.00 N ATOM 1988 CA PHE S 22 29.698 5.423 2.676 1.00 0.00 C ATOM 1989 C PHE S 22 30.015 4.442 3.808 1.00 0.00 C ATOM 1990 O PHE S 22 30.676 4.805 4.763 1.00 0.00 O ATOM 1991 CB PHE S 22 28.245 5.878 2.788 1.00 0.00 C ATOM 1992 CG PHE S 22 28.006 6.947 1.726 1.00 0.00 C ATOM 1993 CD1 PHE S 22 28.653 8.165 1.806 1.00 0.00 C ATOM 1994 CD2 PHE S 22 27.189 6.688 0.639 1.00 0.00 C ATOM 1995 CE1 PHE S 22 28.494 9.107 0.812 1.00 0.00 C ATOM 1996 CE2 PHE S 22 27.031 7.629 -0.353 1.00 0.00 C ATOM 1997 CZ PHE S 22 27.683 8.839 -0.267 1.00 0.00 C ATOM 0 H PHE S 22 29.121 4.248 0.982 1.00 0.00 H new ATOM 0 HA PHE S 22 30.404 6.246 2.791 1.00 0.00 H new ATOM 0 HB2 PHE S 22 27.569 5.036 2.641 1.00 0.00 H new ATOM 0 HB3 PHE S 22 28.045 6.277 3.783 1.00 0.00 H new ATOM 0 HD1 PHE S 22 29.288 8.381 2.653 1.00 0.00 H new ATOM 0 HD2 PHE S 22 26.673 5.742 0.569 1.00 0.00 H new ATOM 0 HE1 PHE S 22 29.006 10.055 0.880 1.00 0.00 H new ATOM 0 HE2 PHE S 22 26.395 7.418 -1.200 1.00 0.00 H new ATOM 0 HZ PHE S 22 27.558 9.577 -1.046 1.00 0.00 H new ATOM 2007 N VAL S 23 29.551 3.230 3.719 1.00 0.00 N ATOM 2008 CA VAL S 23 29.870 2.299 4.832 1.00 0.00 C ATOM 2009 C VAL S 23 31.377 2.217 5.014 1.00 0.00 C ATOM 2010 O VAL S 23 31.857 1.780 6.039 1.00 0.00 O ATOM 2011 CB VAL S 23 29.287 0.913 4.548 1.00 0.00 C ATOM 2012 CG1 VAL S 23 27.859 1.093 4.035 1.00 0.00 C ATOM 2013 CG2 VAL S 23 30.144 0.191 3.508 1.00 0.00 C ATOM 0 H VAL S 23 28.987 2.854 2.957 1.00 0.00 H new ATOM 0 HA VAL S 23 29.423 2.675 5.752 1.00 0.00 H new ATOM 0 HB VAL S 23 29.279 0.310 5.456 1.00 0.00 H new ATOM 0 HG11 VAL S 23 27.422 0.117 3.825 1.00 0.00 H new ATOM 0 HG12 VAL S 23 27.262 1.603 4.791 1.00 0.00 H new ATOM 0 HG13 VAL S 23 27.873 1.688 3.122 1.00 0.00 H new ATOM 0 HG21 VAL S 23 29.723 -0.795 3.311 1.00 0.00 H new ATOM 0 HG22 VAL S 23 30.160 0.770 2.585 1.00 0.00 H new ATOM 0 HG23 VAL S 23 31.161 0.082 3.886 1.00 0.00 H new ATOM 2023 N ASP S 24 32.106 2.627 4.007 1.00 0.00 N ATOM 2024 CA ASP S 24 33.579 2.577 4.137 1.00 0.00 C ATOM 2025 C ASP S 24 33.969 3.610 5.168 1.00 0.00 C ATOM 2026 O ASP S 24 34.922 3.449 5.904 1.00 0.00 O ATOM 2027 CB ASP S 24 34.223 2.933 2.794 1.00 0.00 C ATOM 2028 CG ASP S 24 35.424 2.013 2.565 1.00 0.00 C ATOM 2029 OD1 ASP S 24 36.473 2.356 3.084 1.00 0.00 O ATOM 2030 OD2 ASP S 24 35.222 1.018 1.888 1.00 0.00 O ATOM 0 H ASP S 24 31.748 2.986 3.122 1.00 0.00 H new ATOM 0 HA ASP S 24 33.911 1.582 4.433 1.00 0.00 H new ATOM 0 HB2 ASP S 24 33.500 2.818 1.986 1.00 0.00 H new ATOM 0 HB3 ASP S 24 34.540 3.976 2.792 1.00 0.00 H new ATOM 2035 N LEU S 25 33.207 4.670 5.182 1.00 0.00 N ATOM 2036 CA LEU S 25 33.471 5.757 6.144 1.00 0.00 C ATOM 2037 C LEU S 25 33.180 5.241 7.552 1.00 0.00 C ATOM 2038 O LEU S 25 33.848 5.589 8.496 1.00 0.00 O ATOM 2039 CB LEU S 25 32.517 6.921 5.836 1.00 0.00 C ATOM 2040 CG LEU S 25 32.689 7.355 4.374 1.00 0.00 C ATOM 2041 CD1 LEU S 25 31.719 8.502 4.060 1.00 0.00 C ATOM 2042 CD2 LEU S 25 34.117 7.850 4.162 1.00 0.00 C ATOM 0 H LEU S 25 32.411 4.823 4.562 1.00 0.00 H new ATOM 0 HA LEU S 25 34.507 6.088 6.072 1.00 0.00 H new ATOM 0 HB2 LEU S 25 31.486 6.617 6.017 1.00 0.00 H new ATOM 0 HB3 LEU S 25 32.723 7.759 6.501 1.00 0.00 H new ATOM 0 HG LEU S 25 32.483 6.508 3.720 1.00 0.00 H new ATOM 0 HD11 LEU S 25 31.843 8.809 3.021 1.00 0.00 H new ATOM 0 HD12 LEU S 25 30.694 8.166 4.220 1.00 0.00 H new ATOM 0 HD13 LEU S 25 31.930 9.347 4.716 1.00 0.00 H new ATOM 0 HD21 LEU S 25 34.245 8.160 3.125 1.00 0.00 H new ATOM 0 HD22 LEU S 25 34.310 8.697 4.820 1.00 0.00 H new ATOM 0 HD23 LEU S 25 34.818 7.047 4.390 1.00 0.00 H new ATOM 2054 N LEU S 26 32.172 4.414 7.672 1.00 0.00 N ATOM 2055 CA LEU S 26 31.847 3.880 9.027 1.00 0.00 C ATOM 2056 C LEU S 26 33.124 3.358 9.692 1.00 0.00 C ATOM 2057 O LEU S 26 33.374 3.604 10.867 1.00 0.00 O ATOM 2058 CB LEU S 26 30.835 2.726 8.889 1.00 0.00 C ATOM 2059 CG LEU S 26 29.720 2.880 9.944 1.00 0.00 C ATOM 2060 CD1 LEU S 26 28.917 4.161 9.670 1.00 0.00 C ATOM 2061 CD2 LEU S 26 28.773 1.672 9.870 1.00 0.00 C ATOM 0 H LEU S 26 31.574 4.092 6.911 1.00 0.00 H new ATOM 0 HA LEU S 26 31.418 4.674 9.638 1.00 0.00 H new ATOM 0 HB2 LEU S 26 30.404 2.726 7.888 1.00 0.00 H new ATOM 0 HB3 LEU S 26 31.341 1.769 9.018 1.00 0.00 H new ATOM 0 HG LEU S 26 30.173 2.937 10.934 1.00 0.00 H new ATOM 0 HD11 LEU S 26 28.131 4.265 10.418 1.00 0.00 H new ATOM 0 HD12 LEU S 26 29.581 5.024 9.719 1.00 0.00 H new ATOM 0 HD13 LEU S 26 28.469 4.104 8.678 1.00 0.00 H new ATOM 0 HD21 LEU S 26 27.985 1.781 10.615 1.00 0.00 H new ATOM 0 HD22 LEU S 26 28.328 1.619 8.877 1.00 0.00 H new ATOM 0 HD23 LEU S 26 29.333 0.758 10.065 1.00 0.00 H new ATOM 2073 N LYS S 27 33.915 2.644 8.928 1.00 0.00 N ATOM 2074 CA LYS S 27 35.169 2.112 9.509 1.00 0.00 C ATOM 2075 C LYS S 27 35.968 3.273 10.084 1.00 0.00 C ATOM 2076 O LYS S 27 36.496 3.198 11.176 1.00 0.00 O ATOM 2077 CB LYS S 27 36.026 1.465 8.406 1.00 0.00 C ATOM 2078 CG LYS S 27 35.173 0.580 7.481 1.00 0.00 C ATOM 2079 CD LYS S 27 36.111 -0.352 6.693 1.00 0.00 C ATOM 2080 CE LYS S 27 35.622 -0.478 5.244 1.00 0.00 C ATOM 2081 NZ LYS S 27 36.206 -1.691 4.590 1.00 0.00 N ATOM 0 H LYS S 27 33.745 2.415 7.949 1.00 0.00 H new ATOM 0 HA LYS S 27 34.923 1.377 10.275 1.00 0.00 H new ATOM 0 HB2 LYS S 27 36.515 2.243 7.819 1.00 0.00 H new ATOM 0 HB3 LYS S 27 36.815 0.865 8.860 1.00 0.00 H new ATOM 0 HG2 LYS S 27 34.463 -0.004 8.066 1.00 0.00 H new ATOM 0 HG3 LYS S 27 34.591 1.198 6.797 1.00 0.00 H new ATOM 0 HD2 LYS S 27 37.128 0.041 6.710 1.00 0.00 H new ATOM 0 HD3 LYS S 27 36.141 -1.335 7.163 1.00 0.00 H new ATOM 0 HE2 LYS S 27 34.534 -0.538 5.227 1.00 0.00 H new ATOM 0 HE3 LYS S 27 35.901 0.414 4.682 1.00 0.00 H new ATOM 0 HZ1 LYS S 27 35.483 -2.150 4.000 1.00 0.00 H new ATOM 0 HZ2 LYS S 27 37.012 -1.411 3.995 1.00 0.00 H new ATOM 0 HZ3 LYS S 27 36.530 -2.357 5.320 1.00 0.00 H new ATOM 2095 N ASN S 28 36.042 4.334 9.324 1.00 0.00 N ATOM 2096 CA ASN S 28 36.803 5.517 9.805 1.00 0.00 C ATOM 2097 C ASN S 28 36.379 5.862 11.223 1.00 0.00 C ATOM 2098 O ASN S 28 37.197 5.974 12.116 1.00 0.00 O ATOM 2099 CB ASN S 28 36.511 6.721 8.888 1.00 0.00 C ATOM 2100 CG ASN S 28 36.873 6.353 7.437 1.00 0.00 C ATOM 2101 OD1 ASN S 28 36.908 7.197 6.563 1.00 0.00 O ATOM 2102 ND2 ASN S 28 37.152 5.110 7.139 1.00 0.00 N ATOM 0 H ASN S 28 35.613 4.430 8.403 1.00 0.00 H new ATOM 0 HA ASN S 28 37.868 5.286 9.789 1.00 0.00 H new ATOM 0 HB2 ASN S 28 35.458 6.997 8.954 1.00 0.00 H new ATOM 0 HB3 ASN S 28 37.088 7.587 9.211 1.00 0.00 H new ATOM 0 HD21 ASN S 28 37.396 4.858 6.181 1.00 0.00 H new ATOM 0 HD22 ASN S 28 37.126 4.393 7.864 1.00 0.00 H new ATOM 2109 N ALA S 29 35.104 6.035 11.402 1.00 0.00 N ATOM 2110 CA ALA S 29 34.595 6.369 12.737 1.00 0.00 C ATOM 2111 C ALA S 29 35.124 5.456 13.820 1.00 0.00 C ATOM 2112 O ALA S 29 36.082 5.821 14.448 1.00 0.00 O ATOM 2113 CB ALA S 29 33.050 6.287 12.693 1.00 0.00 C ATOM 0 H ALA S 29 34.396 5.957 10.672 1.00 0.00 H new ATOM 0 HA ALA S 29 34.937 7.373 12.989 1.00 0.00 H new ATOM 0 HB1 ALA S 29 32.645 6.531 13.675 1.00 0.00 H new ATOM 0 HB2 ALA S 29 32.669 6.995 11.957 1.00 0.00 H new ATOM 0 HB3 ALA S 29 32.747 5.277 12.416 1.00 0.00 H new ATOM 2119 N TYR S 30 34.613 4.255 13.933 1.00 0.00 N ATOM 2120 CA TYR S 30 35.127 3.362 15.025 1.00 0.00 C ATOM 2121 C TYR S 30 36.417 3.922 15.642 1.00 0.00 C ATOM 2122 O TYR S 30 36.392 4.605 16.675 1.00 0.00 O ATOM 2123 CB TYR S 30 35.342 1.945 14.474 1.00 0.00 C ATOM 2124 CG TYR S 30 33.978 1.250 14.548 1.00 0.00 C ATOM 2125 CD1 TYR S 30 33.422 0.925 15.772 1.00 0.00 C ATOM 2126 CD2 TYR S 30 33.272 0.962 13.400 1.00 0.00 C ATOM 2127 CE1 TYR S 30 32.187 0.315 15.845 1.00 0.00 C ATOM 2128 CE2 TYR S 30 32.033 0.352 13.471 1.00 0.00 C ATOM 2129 CZ TYR S 30 31.481 0.024 14.695 1.00 0.00 C ATOM 2130 OH TYR S 30 30.238 -0.576 14.774 1.00 0.00 O ATOM 0 H TYR S 30 33.885 3.860 13.338 1.00 0.00 H new ATOM 0 HA TYR S 30 34.385 3.319 15.822 1.00 0.00 H new ATOM 0 HB2 TYR S 30 35.708 1.977 13.448 1.00 0.00 H new ATOM 0 HB3 TYR S 30 36.086 1.407 15.061 1.00 0.00 H new ATOM 0 HD1 TYR S 30 33.961 1.151 16.680 1.00 0.00 H new ATOM 0 HD2 TYR S 30 33.690 1.215 12.437 1.00 0.00 H new ATOM 0 HE1 TYR S 30 31.769 0.063 16.809 1.00 0.00 H new ATOM 0 HE2 TYR S 30 31.492 0.130 12.563 1.00 0.00 H new ATOM 0 HH TYR S 30 29.590 -0.056 14.253 1.00 0.00 H new ATOM 2140 N GLN S 31 37.459 3.824 14.896 1.00 0.00 N ATOM 2141 CA GLN S 31 38.769 4.331 15.401 1.00 0.00 C ATOM 2142 C GLN S 31 38.866 5.862 15.533 1.00 0.00 C ATOM 2143 O GLN S 31 39.464 6.335 16.484 1.00 0.00 O ATOM 2144 CB GLN S 31 39.879 3.881 14.451 1.00 0.00 C ATOM 2145 CG GLN S 31 41.194 3.846 15.231 1.00 0.00 C ATOM 2146 CD GLN S 31 42.318 3.362 14.316 1.00 0.00 C ATOM 2147 OE1 GLN S 31 42.096 2.580 13.408 1.00 0.00 O ATOM 2148 NE2 GLN S 31 43.531 3.803 14.516 1.00 0.00 N ATOM 0 H GLN S 31 37.476 3.419 13.960 1.00 0.00 H new ATOM 0 HA GLN S 31 38.871 3.917 16.404 1.00 0.00 H new ATOM 0 HB2 GLN S 31 39.653 2.896 14.043 1.00 0.00 H new ATOM 0 HB3 GLN S 31 39.957 4.566 13.606 1.00 0.00 H new ATOM 0 HG2 GLN S 31 41.427 4.839 15.616 1.00 0.00 H new ATOM 0 HG3 GLN S 31 41.101 3.184 16.092 1.00 0.00 H new ATOM 0 HE21 GLN S 31 43.717 4.458 15.276 1.00 0.00 H new ATOM 0 HE22 GLN S 31 44.292 3.493 13.912 1.00 0.00 H new ATOM 2157 N ASN S 32 38.312 6.612 14.601 1.00 0.00 N ATOM 2158 CA ASN S 32 38.408 8.097 14.717 1.00 0.00 C ATOM 2159 C ASN S 32 37.148 8.785 15.256 1.00 0.00 C ATOM 2160 O ASN S 32 37.252 9.885 15.754 1.00 0.00 O ATOM 2161 CB ASN S 32 38.676 8.677 13.325 1.00 0.00 C ATOM 2162 CG ASN S 32 40.057 8.256 12.848 1.00 0.00 C ATOM 2163 OD1 ASN S 32 40.986 9.039 12.831 1.00 0.00 O ATOM 2164 ND2 ASN S 32 40.240 7.024 12.471 1.00 0.00 N ATOM 0 H ASN S 32 37.809 6.264 13.785 1.00 0.00 H new ATOM 0 HA ASN S 32 39.209 8.286 15.432 1.00 0.00 H new ATOM 0 HB2 ASN S 32 37.917 8.329 12.624 1.00 0.00 H new ATOM 0 HB3 ASN S 32 38.607 9.764 13.355 1.00 0.00 H new ATOM 0 HD21 ASN S 32 41.162 6.717 12.162 1.00 0.00 H new ATOM 0 HD22 ASN S 32 39.461 6.365 12.485 1.00 0.00 H new ATOM 2171 N ASP S 33 36.013 8.140 15.206 1.00 0.00 N ATOM 2172 CA ASP S 33 34.768 8.798 15.722 1.00 0.00 C ATOM 2173 C ASP S 33 34.281 8.316 17.050 1.00 0.00 C ATOM 2174 O ASP S 33 33.220 8.726 17.449 1.00 0.00 O ATOM 2175 CB ASP S 33 33.598 8.599 14.783 1.00 0.00 C ATOM 2176 CG ASP S 33 32.439 9.466 15.242 1.00 0.00 C ATOM 2177 OD1 ASP S 33 32.737 10.521 15.775 1.00 0.00 O ATOM 2178 OD2 ASP S 33 31.327 9.014 15.079 1.00 0.00 O ATOM 0 H ASP S 33 35.890 7.198 14.836 1.00 0.00 H new ATOM 0 HA ASP S 33 35.081 9.838 15.810 1.00 0.00 H new ATOM 0 HB2 ASP S 33 33.884 8.862 13.765 1.00 0.00 H new ATOM 0 HB3 ASP S 33 33.301 7.550 14.770 1.00 0.00 H new ATOM 2183 N LEU S 34 35.102 7.621 17.788 1.00 0.00 N ATOM 2184 CA LEU S 34 34.653 7.103 19.128 1.00 0.00 C ATOM 2185 C LEU S 34 33.101 7.139 19.295 1.00 0.00 C ATOM 2186 O LEU S 34 32.591 7.114 20.383 1.00 0.00 O ATOM 2187 CB LEU S 34 35.266 8.007 20.216 1.00 0.00 C ATOM 2188 CG LEU S 34 36.421 8.937 19.696 1.00 0.00 C ATOM 2189 CD1 LEU S 34 37.438 8.184 18.790 1.00 0.00 C ATOM 2190 CD2 LEU S 34 35.851 10.188 18.974 1.00 0.00 C ATOM 0 H LEU S 34 36.061 7.386 17.530 1.00 0.00 H new ATOM 0 HA LEU S 34 34.977 6.066 19.212 1.00 0.00 H new ATOM 0 HB2 LEU S 34 34.479 8.627 20.645 1.00 0.00 H new ATOM 0 HB3 LEU S 34 35.652 7.380 21.020 1.00 0.00 H new ATOM 0 HG LEU S 34 36.972 9.269 20.576 1.00 0.00 H new ATOM 0 HD11 LEU S 34 38.213 8.876 18.460 1.00 0.00 H new ATOM 0 HD12 LEU S 34 37.894 7.370 19.353 1.00 0.00 H new ATOM 0 HD13 LEU S 34 36.920 7.778 17.921 1.00 0.00 H new ATOM 0 HD21 LEU S 34 36.673 10.813 18.625 1.00 0.00 H new ATOM 0 HD22 LEU S 34 35.248 9.873 18.122 1.00 0.00 H new ATOM 0 HD23 LEU S 34 35.231 10.757 19.667 1.00 0.00 H new ATOM 2202 N HIS S 35 32.469 7.009 18.127 1.00 0.00 N ATOM 2203 CA HIS S 35 31.002 7.026 17.821 1.00 0.00 C ATOM 2204 C HIS S 35 30.081 7.443 18.940 1.00 0.00 C ATOM 2205 O HIS S 35 28.913 7.342 18.788 1.00 0.00 O ATOM 2206 CB HIS S 35 30.705 5.559 17.487 1.00 0.00 C ATOM 2207 CG HIS S 35 32.085 5.067 17.149 1.00 0.00 C ATOM 2208 ND1 HIS S 35 32.744 5.696 16.268 1.00 0.00 N ATOM 2209 CD2 HIS S 35 33.001 4.449 17.944 1.00 0.00 C ATOM 2210 CE1 HIS S 35 33.984 5.571 16.479 1.00 0.00 C ATOM 2211 NE2 HIS S 35 34.223 4.769 17.527 1.00 0.00 N ATOM 0 H HIS S 35 33.010 6.875 17.273 1.00 0.00 H new ATOM 0 HA HIS S 35 30.815 7.765 17.042 1.00 0.00 H new ATOM 0 HB2 HIS S 35 30.269 5.023 18.330 1.00 0.00 H new ATOM 0 HB3 HIS S 35 30.013 5.457 16.651 1.00 0.00 H new ATOM 0 HD2 HIS S 35 32.772 3.803 18.779 1.00 0.00 H new ATOM 0 HE1 HIS S 35 34.753 6.049 15.890 1.00 0.00 H new ATOM 0 HE2 HIS S 35 35.122 4.476 17.910 1.00 0.00 H new ATOM 2219 N LEU S 36 30.571 7.989 19.993 1.00 0.00 N ATOM 2220 CA LEU S 36 29.588 8.363 21.032 1.00 0.00 C ATOM 2221 C LEU S 36 28.776 9.605 20.581 1.00 0.00 C ATOM 2222 O LEU S 36 27.565 9.574 20.576 1.00 0.00 O ATOM 2223 CB LEU S 36 30.306 8.580 22.377 1.00 0.00 C ATOM 2224 CG LEU S 36 30.064 7.375 23.321 1.00 0.00 C ATOM 2225 CD1 LEU S 36 28.572 7.304 23.695 1.00 0.00 C ATOM 2226 CD2 LEU S 36 30.517 6.056 22.653 1.00 0.00 C ATOM 0 H LEU S 36 31.553 8.188 20.183 1.00 0.00 H new ATOM 0 HA LEU S 36 28.873 7.552 21.173 1.00 0.00 H new ATOM 0 HB2 LEU S 36 31.375 8.709 22.209 1.00 0.00 H new ATOM 0 HB3 LEU S 36 29.944 9.495 22.846 1.00 0.00 H new ATOM 0 HG LEU S 36 30.654 7.513 24.227 1.00 0.00 H new ATOM 0 HD11 LEU S 36 28.403 6.456 24.359 1.00 0.00 H new ATOM 0 HD12 LEU S 36 28.279 8.224 24.200 1.00 0.00 H new ATOM 0 HD13 LEU S 36 27.976 7.181 22.791 1.00 0.00 H new ATOM 0 HD21 LEU S 36 30.338 5.223 23.333 1.00 0.00 H new ATOM 0 HD22 LEU S 36 29.952 5.901 21.734 1.00 0.00 H new ATOM 0 HD23 LEU S 36 31.580 6.112 22.421 1.00 0.00 H new ATOM 2238 N PRO S 37 29.440 10.672 20.167 1.00 0.00 N ATOM 2239 CA PRO S 37 28.721 11.894 19.721 1.00 0.00 C ATOM 2240 C PRO S 37 27.760 11.682 18.536 1.00 0.00 C ATOM 2241 O PRO S 37 26.597 12.023 18.623 1.00 0.00 O ATOM 2242 CB PRO S 37 29.831 12.864 19.298 1.00 0.00 C ATOM 2243 CG PRO S 37 31.189 12.231 19.684 1.00 0.00 C ATOM 2244 CD PRO S 37 30.914 10.788 20.143 1.00 0.00 C ATOM 0 HA PRO S 37 28.086 12.250 20.532 1.00 0.00 H new ATOM 0 HB2 PRO S 37 29.788 13.049 18.225 1.00 0.00 H new ATOM 0 HB3 PRO S 37 29.705 13.827 19.792 1.00 0.00 H new ATOM 0 HG2 PRO S 37 31.871 12.239 18.834 1.00 0.00 H new ATOM 0 HG3 PRO S 37 31.666 12.802 20.481 1.00 0.00 H new ATOM 0 HD2 PRO S 37 31.356 10.064 19.458 1.00 0.00 H new ATOM 0 HD3 PRO S 37 31.342 10.598 21.127 1.00 0.00 H new ATOM 2252 N LEU S 38 28.245 11.133 17.439 1.00 0.00 N ATOM 2253 CA LEU S 38 27.320 10.927 16.278 1.00 0.00 C ATOM 2254 C LEU S 38 26.439 9.691 16.466 1.00 0.00 C ATOM 2255 O LEU S 38 25.254 9.750 16.211 1.00 0.00 O ATOM 2256 CB LEU S 38 28.139 10.890 14.956 1.00 0.00 C ATOM 2257 CG LEU S 38 28.056 9.549 14.196 1.00 0.00 C ATOM 2258 CD1 LEU S 38 26.647 9.294 13.632 1.00 0.00 C ATOM 2259 CD2 LEU S 38 29.013 9.663 13.000 1.00 0.00 C ATOM 0 H LEU S 38 29.209 10.829 17.302 1.00 0.00 H new ATOM 0 HA LEU S 38 26.631 11.770 16.220 1.00 0.00 H new ATOM 0 HB2 LEU S 38 27.787 11.688 14.302 1.00 0.00 H new ATOM 0 HB3 LEU S 38 29.184 11.102 15.183 1.00 0.00 H new ATOM 0 HG LEU S 38 28.306 8.736 14.878 1.00 0.00 H new ATOM 0 HD11 LEU S 38 26.633 8.340 13.105 1.00 0.00 H new ATOM 0 HD12 LEU S 38 25.927 9.267 14.450 1.00 0.00 H new ATOM 0 HD13 LEU S 38 26.381 10.094 12.941 1.00 0.00 H new ATOM 0 HD21 LEU S 38 28.991 8.736 12.427 1.00 0.00 H new ATOM 0 HD22 LEU S 38 28.702 10.491 12.363 1.00 0.00 H new ATOM 0 HD23 LEU S 38 30.026 9.843 13.360 1.00 0.00 H new ATOM 2271 N LEU S 39 26.996 8.589 16.899 1.00 0.00 N ATOM 2272 CA LEU S 39 26.084 7.391 17.075 1.00 0.00 C ATOM 2273 C LEU S 39 24.847 7.785 17.900 1.00 0.00 C ATOM 2274 O LEU S 39 23.760 7.296 17.664 1.00 0.00 O ATOM 2275 CB LEU S 39 26.807 6.258 17.830 1.00 0.00 C ATOM 2276 CG LEU S 39 25.939 4.988 17.920 1.00 0.00 C ATOM 2277 CD1 LEU S 39 25.606 4.476 16.535 1.00 0.00 C ATOM 2278 CD2 LEU S 39 26.736 3.899 18.654 1.00 0.00 C ATOM 0 H LEU S 39 27.981 8.456 17.130 1.00 0.00 H new ATOM 0 HA LEU S 39 25.793 7.051 16.081 1.00 0.00 H new ATOM 0 HB2 LEU S 39 27.744 6.023 17.324 1.00 0.00 H new ATOM 0 HB3 LEU S 39 27.063 6.596 18.834 1.00 0.00 H new ATOM 0 HG LEU S 39 25.017 5.226 18.450 1.00 0.00 H new ATOM 0 HD11 LEU S 39 24.993 3.579 16.617 1.00 0.00 H new ATOM 0 HD12 LEU S 39 25.058 5.242 15.986 1.00 0.00 H new ATOM 0 HD13 LEU S 39 26.528 4.238 16.004 1.00 0.00 H new ATOM 0 HD21 LEU S 39 26.134 2.993 18.725 1.00 0.00 H new ATOM 0 HD22 LEU S 39 27.651 3.684 18.102 1.00 0.00 H new ATOM 0 HD23 LEU S 39 26.989 4.246 19.656 1.00 0.00 H new ATOM 2290 N ASN S 40 25.035 8.657 18.867 1.00 0.00 N ATOM 2291 CA ASN S 40 23.871 9.079 19.703 1.00 0.00 C ATOM 2292 C ASN S 40 22.807 9.713 18.816 1.00 0.00 C ATOM 2293 O ASN S 40 21.653 9.326 18.843 1.00 0.00 O ATOM 2294 CB ASN S 40 24.348 10.117 20.732 1.00 0.00 C ATOM 2295 CG ASN S 40 24.335 9.503 22.139 1.00 0.00 C ATOM 2296 OD1 ASN S 40 23.844 10.091 23.085 1.00 0.00 O ATOM 2297 ND2 ASN S 40 24.865 8.326 22.322 1.00 0.00 N ATOM 0 H ASN S 40 25.929 9.086 19.107 1.00 0.00 H new ATOM 0 HA ASN S 40 23.451 8.210 20.210 1.00 0.00 H new ATOM 0 HB2 ASN S 40 25.354 10.454 20.482 1.00 0.00 H new ATOM 0 HB3 ASN S 40 23.702 10.994 20.703 1.00 0.00 H new ATOM 0 HD21 ASN S 40 24.866 7.906 23.251 1.00 0.00 H new ATOM 0 HD22 ASN S 40 25.279 7.825 21.536 1.00 0.00 H new ATOM 2304 N LEU S 41 23.241 10.686 18.053 1.00 0.00 N ATOM 2305 CA LEU S 41 22.327 11.405 17.125 1.00 0.00 C ATOM 2306 C LEU S 41 21.186 10.505 16.647 1.00 0.00 C ATOM 2307 O LEU S 41 20.038 10.901 16.644 1.00 0.00 O ATOM 2308 CB LEU S 41 23.179 11.829 15.916 1.00 0.00 C ATOM 2309 CG LEU S 41 22.645 13.124 15.284 1.00 0.00 C ATOM 2310 CD1 LEU S 41 21.153 12.966 14.974 1.00 0.00 C ATOM 2311 CD2 LEU S 41 22.870 14.325 16.223 1.00 0.00 C ATOM 0 H LEU S 41 24.207 11.014 18.037 1.00 0.00 H new ATOM 0 HA LEU S 41 21.875 12.257 17.633 1.00 0.00 H new ATOM 0 HB2 LEU S 41 24.213 11.974 16.230 1.00 0.00 H new ATOM 0 HB3 LEU S 41 23.181 11.032 15.172 1.00 0.00 H new ATOM 0 HG LEU S 41 23.189 13.312 14.358 1.00 0.00 H new ATOM 0 HD11 LEU S 41 20.775 13.885 14.526 1.00 0.00 H new ATOM 0 HD12 LEU S 41 21.011 12.138 14.279 1.00 0.00 H new ATOM 0 HD13 LEU S 41 20.609 12.762 15.896 1.00 0.00 H new ATOM 0 HD21 LEU S 41 22.484 15.230 15.755 1.00 0.00 H new ATOM 0 HD22 LEU S 41 22.349 14.153 17.165 1.00 0.00 H new ATOM 0 HD23 LEU S 41 23.937 14.442 16.415 1.00 0.00 H new ATOM 2323 N MET S 42 21.517 9.301 16.271 1.00 0.00 N ATOM 2324 CA MET S 42 20.451 8.378 15.797 1.00 0.00 C ATOM 2325 C MET S 42 19.739 7.697 16.964 1.00 0.00 C ATOM 2326 O MET S 42 19.427 6.524 16.909 1.00 0.00 O ATOM 2327 CB MET S 42 21.104 7.308 14.913 1.00 0.00 C ATOM 2328 CG MET S 42 22.041 7.995 13.920 1.00 0.00 C ATOM 2329 SD MET S 42 21.396 9.448 13.049 1.00 0.00 S ATOM 2330 CE MET S 42 20.151 8.596 12.047 1.00 0.00 C ATOM 0 H MET S 42 22.464 8.921 16.271 1.00 0.00 H new ATOM 0 HA MET S 42 19.709 8.952 15.241 1.00 0.00 H new ATOM 0 HB2 MET S 42 21.659 6.598 15.527 1.00 0.00 H new ATOM 0 HB3 MET S 42 20.341 6.740 14.381 1.00 0.00 H new ATOM 0 HG2 MET S 42 22.942 8.294 14.456 1.00 0.00 H new ATOM 0 HG3 MET S 42 22.343 7.259 13.174 1.00 0.00 H new ATOM 0 HE1 MET S 42 19.907 9.204 11.176 1.00 0.00 H new ATOM 0 HE2 MET S 42 20.544 7.633 11.720 1.00 0.00 H new ATOM 0 HE3 MET S 42 19.252 8.437 12.642 1.00 0.00 H new ATOM 2340 N LEU S 43 19.484 8.453 17.996 1.00 0.00 N ATOM 2341 CA LEU S 43 18.795 7.881 19.181 1.00 0.00 C ATOM 2342 C LEU S 43 17.342 7.510 18.880 1.00 0.00 C ATOM 2343 O LEU S 43 16.582 7.230 19.784 1.00 0.00 O ATOM 2344 CB LEU S 43 18.802 8.950 20.284 1.00 0.00 C ATOM 2345 CG LEU S 43 19.717 8.499 21.420 1.00 0.00 C ATOM 2346 CD1 LEU S 43 20.079 9.699 22.305 1.00 0.00 C ATOM 2347 CD2 LEU S 43 18.978 7.458 22.267 1.00 0.00 C ATOM 0 H LEU S 43 19.724 9.442 18.068 1.00 0.00 H new ATOM 0 HA LEU S 43 19.317 6.972 19.481 1.00 0.00 H new ATOM 0 HB2 LEU S 43 19.146 9.902 19.881 1.00 0.00 H new ATOM 0 HB3 LEU S 43 17.791 9.109 20.658 1.00 0.00 H new ATOM 0 HG LEU S 43 20.629 8.070 21.004 1.00 0.00 H new ATOM 0 HD11 LEU S 43 20.732 9.371 23.114 1.00 0.00 H new ATOM 0 HD12 LEU S 43 20.593 10.451 21.706 1.00 0.00 H new ATOM 0 HD13 LEU S 43 19.170 10.129 22.725 1.00 0.00 H new ATOM 0 HD21 LEU S 43 19.622 7.128 23.082 1.00 0.00 H new ATOM 0 HD22 LEU S 43 18.071 7.901 22.678 1.00 0.00 H new ATOM 0 HD23 LEU S 43 18.714 6.603 21.644 1.00 0.00 H new ATOM 2359 N THR S 44 16.981 7.523 17.629 1.00 0.00 N ATOM 2360 CA THR S 44 15.575 7.169 17.266 1.00 0.00 C ATOM 2361 C THR S 44 15.166 5.819 17.888 1.00 0.00 C ATOM 2362 O THR S 44 16.009 4.969 18.108 1.00 0.00 O ATOM 2363 CB THR S 44 15.498 7.033 15.745 1.00 0.00 C ATOM 2364 OG1 THR S 44 16.590 6.211 15.393 1.00 0.00 O ATOM 2365 CG2 THR S 44 15.784 8.367 15.050 1.00 0.00 C ATOM 0 H THR S 44 17.590 7.761 16.846 1.00 0.00 H new ATOM 0 HA THR S 44 14.907 7.946 17.638 1.00 0.00 H new ATOM 0 HB THR S 44 14.512 6.665 15.461 1.00 0.00 H new ATOM 0 HG1 THR S 44 16.601 6.080 14.422 1.00 0.00 H new ATOM 0 HG21 THR S 44 15.721 8.235 13.970 1.00 0.00 H new ATOM 0 HG22 THR S 44 15.051 9.108 15.368 1.00 0.00 H new ATOM 0 HG23 THR S 44 16.784 8.709 15.316 1.00 0.00 H new ATOM 2373 N PRO S 45 13.880 5.622 18.147 1.00 0.00 N ATOM 2374 CA PRO S 45 13.409 4.359 18.739 1.00 0.00 C ATOM 2375 C PRO S 45 13.765 3.139 17.879 1.00 0.00 C ATOM 2376 O PRO S 45 14.150 2.108 18.397 1.00 0.00 O ATOM 2377 CB PRO S 45 11.877 4.497 18.802 1.00 0.00 C ATOM 2378 CG PRO S 45 11.498 5.875 18.206 1.00 0.00 C ATOM 2379 CD PRO S 45 12.803 6.611 17.876 1.00 0.00 C ATOM 0 HA PRO S 45 13.876 4.198 19.711 1.00 0.00 H new ATOM 0 HB2 PRO S 45 11.398 3.694 18.241 1.00 0.00 H new ATOM 0 HB3 PRO S 45 11.529 4.418 19.832 1.00 0.00 H new ATOM 0 HG2 PRO S 45 10.891 5.751 17.309 1.00 0.00 H new ATOM 0 HG3 PRO S 45 10.903 6.449 18.916 1.00 0.00 H new ATOM 0 HD2 PRO S 45 12.820 6.938 16.836 1.00 0.00 H new ATOM 0 HD3 PRO S 45 12.921 7.502 18.493 1.00 0.00 H new ATOM 2387 N ASP S 46 13.634 3.278 16.585 1.00 0.00 N ATOM 2388 CA ASP S 46 13.958 2.132 15.688 1.00 0.00 C ATOM 2389 C ASP S 46 15.423 1.706 15.782 1.00 0.00 C ATOM 2390 O ASP S 46 15.728 0.533 15.695 1.00 0.00 O ATOM 2391 CB ASP S 46 13.662 2.538 14.236 1.00 0.00 C ATOM 2392 CG ASP S 46 13.017 3.922 14.197 1.00 0.00 C ATOM 2393 OD1 ASP S 46 11.828 3.973 14.464 1.00 0.00 O ATOM 2394 OD2 ASP S 46 13.749 4.853 13.903 1.00 0.00 O ATOM 0 H ASP S 46 13.320 4.127 16.115 1.00 0.00 H new ATOM 0 HA ASP S 46 13.344 1.288 16.003 1.00 0.00 H new ATOM 0 HB2 ASP S 46 14.585 2.542 13.656 1.00 0.00 H new ATOM 0 HB3 ASP S 46 12.999 1.806 13.774 1.00 0.00 H new ATOM 2399 N GLU S 47 16.309 2.647 15.957 1.00 0.00 N ATOM 2400 CA GLU S 47 17.745 2.264 16.051 1.00 0.00 C ATOM 2401 C GLU S 47 17.996 1.365 17.258 1.00 0.00 C ATOM 2402 O GLU S 47 18.474 0.258 17.114 1.00 0.00 O ATOM 2403 CB GLU S 47 18.589 3.536 16.177 1.00 0.00 C ATOM 2404 CG GLU S 47 19.918 3.318 15.452 1.00 0.00 C ATOM 2405 CD GLU S 47 19.674 3.331 13.942 1.00 0.00 C ATOM 2406 OE1 GLU S 47 19.458 4.423 13.440 1.00 0.00 O ATOM 2407 OE2 GLU S 47 19.714 2.251 13.373 1.00 0.00 O ATOM 0 H GLU S 47 16.108 3.644 16.038 1.00 0.00 H new ATOM 0 HA GLU S 47 18.021 1.711 15.153 1.00 0.00 H new ATOM 0 HB2 GLU S 47 18.059 4.385 15.746 1.00 0.00 H new ATOM 0 HB3 GLU S 47 18.765 3.770 17.227 1.00 0.00 H new ATOM 0 HG2 GLU S 47 20.627 4.099 15.725 1.00 0.00 H new ATOM 0 HG3 GLU S 47 20.359 2.368 15.753 1.00 0.00 H new ATOM 2414 N ARG S 48 17.678 1.846 18.429 1.00 0.00 N ATOM 2415 CA ARG S 48 17.899 1.015 19.628 1.00 0.00 C ATOM 2416 C ARG S 48 17.256 -0.353 19.440 1.00 0.00 C ATOM 2417 O ARG S 48 17.866 -1.374 19.692 1.00 0.00 O ATOM 2418 CB ARG S 48 17.222 1.702 20.810 1.00 0.00 C ATOM 2419 CG ARG S 48 17.657 3.164 20.873 1.00 0.00 C ATOM 2420 CD ARG S 48 18.130 3.484 22.297 1.00 0.00 C ATOM 2421 NE ARG S 48 17.024 3.189 23.253 1.00 0.00 N ATOM 2422 CZ ARG S 48 17.108 3.615 24.486 1.00 0.00 C ATOM 2423 NH1 ARG S 48 17.258 4.892 24.707 1.00 0.00 N ATOM 2424 NH2 ARG S 48 17.058 2.744 25.457 1.00 0.00 N ATOM 0 H ARG S 48 17.279 2.769 18.599 1.00 0.00 H new ATOM 0 HA ARG S 48 18.969 0.893 19.798 1.00 0.00 H new ATOM 0 HB2 ARG S 48 16.139 1.639 20.708 1.00 0.00 H new ATOM 0 HB3 ARG S 48 17.485 1.194 21.738 1.00 0.00 H new ATOM 0 HG2 ARG S 48 18.460 3.349 20.159 1.00 0.00 H new ATOM 0 HG3 ARG S 48 16.828 3.816 20.596 1.00 0.00 H new ATOM 0 HD2 ARG S 48 19.010 2.890 22.544 1.00 0.00 H new ATOM 0 HD3 ARG S 48 18.422 4.532 22.370 1.00 0.00 H new ATOM 0 HE ARG S 48 16.208 2.659 22.947 1.00 0.00 H new ATOM 0 HH11 ARG S 48 17.308 5.543 23.923 1.00 0.00 H new ATOM 0 HH12 ARG S 48 17.325 5.240 25.664 1.00 0.00 H new ATOM 0 HH21 ARG S 48 16.955 1.751 25.247 1.00 0.00 H new ATOM 0 HH22 ARG S 48 17.122 3.056 26.426 1.00 0.00 H new ATOM 2438 N GLU S 49 16.029 -0.341 18.997 1.00 0.00 N ATOM 2439 CA GLU S 49 15.324 -1.627 18.786 1.00 0.00 C ATOM 2440 C GLU S 49 16.056 -2.480 17.752 1.00 0.00 C ATOM 2441 O GLU S 49 15.911 -3.685 17.723 1.00 0.00 O ATOM 2442 CB GLU S 49 13.903 -1.322 18.297 1.00 0.00 C ATOM 2443 CG GLU S 49 12.963 -1.287 19.506 1.00 0.00 C ATOM 2444 CD GLU S 49 11.587 -0.781 19.070 1.00 0.00 C ATOM 2445 OE1 GLU S 49 10.831 -1.610 18.588 1.00 0.00 O ATOM 2446 OE2 GLU S 49 11.364 0.406 19.253 1.00 0.00 O ATOM 0 H GLU S 49 15.492 0.497 18.775 1.00 0.00 H new ATOM 0 HA GLU S 49 15.293 -2.185 19.722 1.00 0.00 H new ATOM 0 HB2 GLU S 49 13.881 -0.366 17.774 1.00 0.00 H new ATOM 0 HB3 GLU S 49 13.577 -2.082 17.587 1.00 0.00 H new ATOM 0 HG2 GLU S 49 12.875 -2.283 19.940 1.00 0.00 H new ATOM 0 HG3 GLU S 49 13.373 -0.637 20.279 1.00 0.00 H new ATOM 2453 N ALA S 50 16.830 -1.835 16.919 1.00 0.00 N ATOM 2454 CA ALA S 50 17.584 -2.588 15.882 1.00 0.00 C ATOM 2455 C ALA S 50 18.998 -2.852 16.389 1.00 0.00 C ATOM 2456 O ALA S 50 19.742 -3.627 15.823 1.00 0.00 O ATOM 2457 CB ALA S 50 17.655 -1.730 14.616 1.00 0.00 C ATOM 0 H ALA S 50 16.970 -0.825 16.914 1.00 0.00 H new ATOM 0 HA ALA S 50 17.090 -3.535 15.667 1.00 0.00 H new ATOM 0 HB1 ALA S 50 18.205 -2.267 13.843 1.00 0.00 H new ATOM 0 HB2 ALA S 50 16.646 -1.519 14.263 1.00 0.00 H new ATOM 0 HB3 ALA S 50 18.165 -0.793 14.840 1.00 0.00 H new ATOM 2463 N LEU S 51 19.332 -2.181 17.456 1.00 0.00 N ATOM 2464 CA LEU S 51 20.681 -2.344 18.056 1.00 0.00 C ATOM 2465 C LEU S 51 20.706 -3.596 18.925 1.00 0.00 C ATOM 2466 O LEU S 51 21.334 -4.587 18.592 1.00 0.00 O ATOM 2467 CB LEU S 51 20.932 -1.103 18.938 1.00 0.00 C ATOM 2468 CG LEU S 51 22.394 -1.005 19.419 1.00 0.00 C ATOM 2469 CD1 LEU S 51 22.778 -2.197 20.296 1.00 0.00 C ATOM 2470 CD2 LEU S 51 23.346 -0.862 18.236 1.00 0.00 C ATOM 0 H LEU S 51 18.722 -1.522 17.940 1.00 0.00 H new ATOM 0 HA LEU S 51 21.444 -2.441 17.284 1.00 0.00 H new ATOM 0 HB2 LEU S 51 20.677 -0.205 18.376 1.00 0.00 H new ATOM 0 HB3 LEU S 51 20.270 -1.136 19.803 1.00 0.00 H new ATOM 0 HG LEU S 51 22.481 -0.109 20.033 1.00 0.00 H new ATOM 0 HD11 LEU S 51 23.815 -2.094 20.616 1.00 0.00 H new ATOM 0 HD12 LEU S 51 22.129 -2.229 21.171 1.00 0.00 H new ATOM 0 HD13 LEU S 51 22.664 -3.119 19.726 1.00 0.00 H new ATOM 0 HD21 LEU S 51 24.371 -0.795 18.600 1.00 0.00 H new ATOM 0 HD22 LEU S 51 23.249 -1.730 17.584 1.00 0.00 H new ATOM 0 HD23 LEU S 51 23.099 0.041 17.678 1.00 0.00 H new ATOM 2482 N GLY S 52 20.012 -3.529 20.028 1.00 0.00 N ATOM 2483 CA GLY S 52 19.976 -4.698 20.940 1.00 0.00 C ATOM 2484 C GLY S 52 19.713 -5.976 20.144 1.00 0.00 C ATOM 2485 O GLY S 52 20.278 -7.018 20.419 1.00 0.00 O ATOM 0 H GLY S 52 19.473 -2.719 20.333 1.00 0.00 H new ATOM 0 HA2 GLY S 52 20.922 -4.781 21.475 1.00 0.00 H new ATOM 0 HA3 GLY S 52 19.197 -4.560 21.690 1.00 0.00 H new ATOM 2489 N THR S 53 18.856 -5.873 19.169 1.00 0.00 N ATOM 2490 CA THR S 53 18.554 -7.074 18.354 1.00 0.00 C ATOM 2491 C THR S 53 19.781 -7.493 17.553 1.00 0.00 C ATOM 2492 O THR S 53 20.155 -8.647 17.540 1.00 0.00 O ATOM 2493 CB THR S 53 17.423 -6.728 17.387 1.00 0.00 C ATOM 2494 OG1 THR S 53 16.307 -6.442 18.209 1.00 0.00 O ATOM 2495 CG2 THR S 53 17.007 -7.963 16.581 1.00 0.00 C ATOM 0 H THR S 53 18.359 -5.022 18.906 1.00 0.00 H new ATOM 0 HA THR S 53 18.265 -7.895 19.010 1.00 0.00 H new ATOM 0 HB THR S 53 17.733 -5.923 16.720 1.00 0.00 H new ATOM 0 HG1 THR S 53 16.063 -5.498 18.112 1.00 0.00 H new ATOM 0 HG21 THR S 53 16.200 -7.697 15.898 1.00 0.00 H new ATOM 0 HG22 THR S 53 17.860 -8.329 16.010 1.00 0.00 H new ATOM 0 HG23 THR S 53 16.664 -8.743 17.261 1.00 0.00 H new ATOM 2503 N ARG S 54 20.382 -6.542 16.892 1.00 0.00 N ATOM 2504 CA ARG S 54 21.587 -6.861 16.086 1.00 0.00 C ATOM 2505 C ARG S 54 22.596 -7.634 16.925 1.00 0.00 C ATOM 2506 O ARG S 54 23.475 -8.292 16.406 1.00 0.00 O ATOM 2507 CB ARG S 54 22.225 -5.537 15.652 1.00 0.00 C ATOM 2508 CG ARG S 54 23.478 -5.836 14.831 1.00 0.00 C ATOM 2509 CD ARG S 54 24.028 -4.532 14.241 1.00 0.00 C ATOM 2510 NE ARG S 54 22.959 -3.848 13.463 1.00 0.00 N ATOM 2511 CZ ARG S 54 23.151 -2.622 13.051 1.00 0.00 C ATOM 2512 NH1 ARG S 54 24.368 -2.224 12.784 1.00 0.00 N ATOM 2513 NH2 ARG S 54 22.121 -1.829 12.925 1.00 0.00 N ATOM 0 H ARG S 54 20.091 -5.565 16.877 1.00 0.00 H new ATOM 0 HA ARG S 54 21.304 -7.467 15.226 1.00 0.00 H new ATOM 0 HB2 ARG S 54 21.518 -4.954 15.062 1.00 0.00 H new ATOM 0 HB3 ARG S 54 22.481 -4.938 16.526 1.00 0.00 H new ATOM 0 HG2 ARG S 54 24.232 -6.310 15.459 1.00 0.00 H new ATOM 0 HG3 ARG S 54 23.242 -6.538 14.031 1.00 0.00 H new ATOM 0 HD2 ARG S 54 24.384 -3.881 15.040 1.00 0.00 H new ATOM 0 HD3 ARG S 54 24.882 -4.744 13.597 1.00 0.00 H new ATOM 0 HE ARG S 54 22.085 -4.331 13.253 1.00 0.00 H new ATOM 0 HH11 ARG S 54 25.151 -2.867 12.898 1.00 0.00 H new ATOM 0 HH12 ARG S 54 24.534 -1.271 12.462 1.00 0.00 H new ATOM 0 HH21 ARG S 54 21.185 -2.169 13.147 1.00 0.00 H new ATOM 0 HH22 ARG S 54 22.252 -0.869 12.605 1.00 0.00 H new ATOM 2527 N VAL S 55 22.464 -7.512 18.209 1.00 0.00 N ATOM 2528 CA VAL S 55 23.396 -8.227 19.120 1.00 0.00 C ATOM 2529 C VAL S 55 22.907 -9.636 19.459 1.00 0.00 C ATOM 2530 O VAL S 55 23.699 -10.541 19.635 1.00 0.00 O ATOM 2531 CB VAL S 55 23.480 -7.428 20.428 1.00 0.00 C ATOM 2532 CG1 VAL S 55 24.521 -8.079 21.349 1.00 0.00 C ATOM 2533 CG2 VAL S 55 23.881 -5.983 20.112 1.00 0.00 C ATOM 0 H VAL S 55 21.751 -6.948 18.671 1.00 0.00 H new ATOM 0 HA VAL S 55 24.361 -8.314 18.621 1.00 0.00 H new ATOM 0 HB VAL S 55 22.512 -7.426 20.929 1.00 0.00 H new ATOM 0 HG11 VAL S 55 24.586 -7.516 22.280 1.00 0.00 H new ATOM 0 HG12 VAL S 55 24.224 -9.105 21.565 1.00 0.00 H new ATOM 0 HG13 VAL S 55 25.493 -8.079 20.857 1.00 0.00 H new ATOM 0 HG21 VAL S 55 23.942 -5.411 21.038 1.00 0.00 H new ATOM 0 HG22 VAL S 55 24.852 -5.975 19.616 1.00 0.00 H new ATOM 0 HG23 VAL S 55 23.135 -5.533 19.457 1.00 0.00 H new ATOM 2543 N ARG S 56 21.613 -9.802 19.527 1.00 0.00 N ATOM 2544 CA ARG S 56 21.063 -11.149 19.860 1.00 0.00 C ATOM 2545 C ARG S 56 21.296 -12.180 18.753 1.00 0.00 C ATOM 2546 O ARG S 56 21.384 -13.356 19.030 1.00 0.00 O ATOM 2547 CB ARG S 56 19.557 -11.010 20.127 1.00 0.00 C ATOM 2548 CG ARG S 56 19.355 -10.179 21.403 1.00 0.00 C ATOM 2549 CD ARG S 56 18.930 -11.093 22.557 1.00 0.00 C ATOM 2550 NE ARG S 56 18.694 -10.258 23.775 1.00 0.00 N ATOM 2551 CZ ARG S 56 17.944 -10.719 24.739 1.00 0.00 C ATOM 2552 NH1 ARG S 56 17.553 -11.962 24.692 1.00 0.00 N ATOM 2553 NH2 ARG S 56 17.590 -9.916 25.707 1.00 0.00 N ATOM 0 H ARG S 56 20.919 -9.072 19.368 1.00 0.00 H new ATOM 0 HA ARG S 56 21.588 -11.514 20.743 1.00 0.00 H new ATOM 0 HB2 ARG S 56 19.067 -10.528 19.281 1.00 0.00 H new ATOM 0 HB3 ARG S 56 19.102 -11.994 20.241 1.00 0.00 H new ATOM 0 HG2 ARG S 56 20.278 -9.660 21.660 1.00 0.00 H new ATOM 0 HG3 ARG S 56 18.596 -9.415 21.234 1.00 0.00 H new ATOM 0 HD2 ARG S 56 18.024 -11.638 22.292 1.00 0.00 H new ATOM 0 HD3 ARG S 56 19.703 -11.836 22.753 1.00 0.00 H new ATOM 0 HE ARG S 56 19.117 -9.333 23.852 1.00 0.00 H new ATOM 0 HH11 ARG S 56 17.834 -12.556 23.911 1.00 0.00 H new ATOM 0 HH12 ARG S 56 16.967 -12.341 25.436 1.00 0.00 H new ATOM 0 HH21 ARG S 56 17.899 -8.944 25.702 1.00 0.00 H new ATOM 0 HH22 ARG S 56 17.004 -10.261 26.467 1.00 0.00 H new ATOM 2567 N ILE S 57 21.395 -11.756 17.524 1.00 0.00 N ATOM 2568 CA ILE S 57 21.621 -12.771 16.466 1.00 0.00 C ATOM 2569 C ILE S 57 22.961 -13.441 16.694 1.00 0.00 C ATOM 2570 O ILE S 57 23.039 -14.584 17.107 1.00 0.00 O ATOM 2571 CB ILE S 57 21.657 -12.110 15.093 1.00 0.00 C ATOM 2572 CG1 ILE S 57 21.813 -10.600 15.228 1.00 0.00 C ATOM 2573 CG2 ILE S 57 20.340 -12.423 14.377 1.00 0.00 C ATOM 2574 CD1 ILE S 57 22.163 -9.988 13.867 1.00 0.00 C ATOM 0 H ILE S 57 21.332 -10.786 17.216 1.00 0.00 H new ATOM 0 HA ILE S 57 20.809 -13.497 16.506 1.00 0.00 H new ATOM 0 HB ILE S 57 22.506 -12.493 14.526 1.00 0.00 H new ATOM 0 HG12 ILE S 57 20.889 -10.163 15.606 1.00 0.00 H new ATOM 0 HG13 ILE S 57 22.595 -10.370 15.952 1.00 0.00 H new ATOM 0 HG21 ILE S 57 20.343 -11.959 13.391 1.00 0.00 H new ATOM 0 HG22 ILE S 57 20.231 -13.502 14.270 1.00 0.00 H new ATOM 0 HG23 ILE S 57 19.507 -12.030 14.960 1.00 0.00 H new ATOM 0 HD11 ILE S 57 22.273 -8.909 13.971 1.00 0.00 H new ATOM 0 HD12 ILE S 57 23.099 -10.415 13.506 1.00 0.00 H new ATOM 0 HD13 ILE S 57 21.367 -10.205 13.155 1.00 0.00 H new ATOM 2586 N VAL S 58 23.992 -12.702 16.413 1.00 0.00 N ATOM 2587 CA VAL S 58 25.362 -13.251 16.598 1.00 0.00 C ATOM 2588 C VAL S 58 25.482 -13.893 17.979 1.00 0.00 C ATOM 2589 O VAL S 58 25.700 -15.084 18.111 1.00 0.00 O ATOM 2590 CB VAL S 58 26.355 -12.081 16.509 1.00 0.00 C ATOM 2591 CG1 VAL S 58 27.736 -12.545 16.974 1.00 0.00 C ATOM 2592 CG2 VAL S 58 26.448 -11.596 15.059 1.00 0.00 C ATOM 0 H VAL S 58 23.948 -11.744 16.064 1.00 0.00 H new ATOM 0 HA VAL S 58 25.570 -14.001 15.835 1.00 0.00 H new ATOM 0 HB VAL S 58 26.009 -11.267 17.146 1.00 0.00 H new ATOM 0 HG11 VAL S 58 28.439 -11.715 16.910 1.00 0.00 H new ATOM 0 HG12 VAL S 58 27.675 -12.891 18.006 1.00 0.00 H new ATOM 0 HG13 VAL S 58 28.079 -13.361 16.338 1.00 0.00 H new ATOM 0 HG21 VAL S 58 27.152 -10.766 14.997 1.00 0.00 H new ATOM 0 HG22 VAL S 58 26.792 -12.412 14.424 1.00 0.00 H new ATOM 0 HG23 VAL S 58 25.466 -11.264 14.723 1.00 0.00 H new ATOM 2602 N GLU S 59 25.336 -13.074 18.980 1.00 0.00 N ATOM 2603 CA GLU S 59 25.427 -13.559 20.382 1.00 0.00 C ATOM 2604 C GLU S 59 24.624 -14.839 20.637 1.00 0.00 C ATOM 2605 O GLU S 59 25.190 -15.887 20.875 1.00 0.00 O ATOM 2606 CB GLU S 59 24.868 -12.461 21.297 1.00 0.00 C ATOM 2607 CG GLU S 59 25.091 -12.850 22.760 1.00 0.00 C ATOM 2608 CD GLU S 59 23.924 -13.721 23.226 1.00 0.00 C ATOM 2609 OE1 GLU S 59 22.805 -13.267 23.051 1.00 0.00 O ATOM 2610 OE2 GLU S 59 24.216 -14.790 23.734 1.00 0.00 O ATOM 0 H GLU S 59 25.155 -12.075 18.884 1.00 0.00 H new ATOM 0 HA GLU S 59 26.474 -13.787 20.581 1.00 0.00 H new ATOM 0 HB2 GLU S 59 25.358 -11.511 21.084 1.00 0.00 H new ATOM 0 HB3 GLU S 59 23.804 -12.321 21.106 1.00 0.00 H new ATOM 0 HG2 GLU S 59 26.031 -13.391 22.867 1.00 0.00 H new ATOM 0 HG3 GLU S 59 25.165 -11.957 23.380 1.00 0.00 H new ATOM 2617 N GLU S 60 23.322 -14.736 20.587 1.00 0.00 N ATOM 2618 CA GLU S 60 22.489 -15.950 20.833 1.00 0.00 C ATOM 2619 C GLU S 60 22.960 -17.164 20.029 1.00 0.00 C ATOM 2620 O GLU S 60 23.125 -18.231 20.585 1.00 0.00 O ATOM 2621 CB GLU S 60 21.035 -15.651 20.465 1.00 0.00 C ATOM 2622 CG GLU S 60 20.140 -16.708 21.127 1.00 0.00 C ATOM 2623 CD GLU S 60 18.702 -16.562 20.621 1.00 0.00 C ATOM 2624 OE1 GLU S 60 18.498 -15.672 19.811 1.00 0.00 O ATOM 2625 OE2 GLU S 60 17.888 -17.349 21.076 1.00 0.00 O ATOM 0 H GLU S 60 22.806 -13.879 20.390 1.00 0.00 H new ATOM 0 HA GLU S 60 22.585 -16.195 21.891 1.00 0.00 H new ATOM 0 HB2 GLU S 60 20.756 -14.653 20.802 1.00 0.00 H new ATOM 0 HB3 GLU S 60 20.906 -15.669 19.383 1.00 0.00 H new ATOM 0 HG2 GLU S 60 20.514 -17.707 20.903 1.00 0.00 H new ATOM 0 HG3 GLU S 60 20.167 -16.594 22.211 1.00 0.00 H new ATOM 3131 N VAL S 94 30.074 -17.503 3.183 1.00 0.00 N ATOM 3132 CA VAL S 94 31.224 -18.363 3.581 1.00 0.00 C ATOM 3133 C VAL S 94 32.346 -17.509 4.147 1.00 0.00 C ATOM 3134 O VAL S 94 33.223 -18.006 4.829 1.00 0.00 O ATOM 3135 CB VAL S 94 31.726 -19.146 2.353 1.00 0.00 C ATOM 3136 CG1 VAL S 94 32.689 -18.279 1.533 1.00 0.00 C ATOM 3137 CG2 VAL S 94 32.460 -20.404 2.828 1.00 0.00 C ATOM 0 HA VAL S 94 30.899 -19.064 4.350 1.00 0.00 H new ATOM 0 HB VAL S 94 30.875 -19.421 1.730 1.00 0.00 H new ATOM 0 HG11 VAL S 94 33.038 -18.842 0.667 1.00 0.00 H new ATOM 0 HG12 VAL S 94 32.173 -17.380 1.197 1.00 0.00 H new ATOM 0 HG13 VAL S 94 33.542 -17.998 2.151 1.00 0.00 H new ATOM 0 HG21 VAL S 94 32.819 -20.964 1.964 1.00 0.00 H new ATOM 0 HG22 VAL S 94 33.307 -20.118 3.452 1.00 0.00 H new ATOM 0 HG23 VAL S 94 31.778 -21.027 3.406 1.00 0.00 H new ATOM 3147 N GLU S 95 32.313 -16.239 3.849 1.00 0.00 N ATOM 3148 CA GLU S 95 33.380 -15.363 4.379 1.00 0.00 C ATOM 3149 C GLU S 95 33.005 -14.899 5.783 1.00 0.00 C ATOM 3150 O GLU S 95 33.686 -14.087 6.377 1.00 0.00 O ATOM 3151 CB GLU S 95 33.562 -14.150 3.460 1.00 0.00 C ATOM 3152 CG GLU S 95 34.400 -14.557 2.242 1.00 0.00 C ATOM 3153 CD GLU S 95 33.801 -13.934 0.979 1.00 0.00 C ATOM 3154 OE1 GLU S 95 33.908 -12.723 0.870 1.00 0.00 O ATOM 3155 OE2 GLU S 95 33.276 -14.703 0.193 1.00 0.00 O ATOM 0 H GLU S 95 31.606 -15.782 3.273 1.00 0.00 H new ATOM 0 HA GLU S 95 34.317 -15.919 4.421 1.00 0.00 H new ATOM 0 HB2 GLU S 95 32.591 -13.774 3.138 1.00 0.00 H new ATOM 0 HB3 GLU S 95 34.054 -13.341 4.000 1.00 0.00 H new ATOM 0 HG2 GLU S 95 35.431 -14.226 2.370 1.00 0.00 H new ATOM 0 HG3 GLU S 95 34.423 -15.643 2.149 1.00 0.00 H new ATOM 3162 N LEU S 96 31.900 -15.410 6.273 1.00 0.00 N ATOM 3163 CA LEU S 96 31.454 -15.024 7.634 1.00 0.00 C ATOM 3164 C LEU S 96 32.203 -15.880 8.640 1.00 0.00 C ATOM 3165 O LEU S 96 32.878 -15.373 9.515 1.00 0.00 O ATOM 3166 CB LEU S 96 29.948 -15.296 7.777 1.00 0.00 C ATOM 3167 CG LEU S 96 29.343 -14.285 8.762 1.00 0.00 C ATOM 3168 CD1 LEU S 96 27.858 -14.584 8.948 1.00 0.00 C ATOM 3169 CD2 LEU S 96 30.036 -14.407 10.119 1.00 0.00 C ATOM 0 H LEU S 96 31.296 -16.073 5.787 1.00 0.00 H new ATOM 0 HA LEU S 96 31.651 -13.966 7.805 1.00 0.00 H new ATOM 0 HB2 LEU S 96 29.458 -15.214 6.807 1.00 0.00 H new ATOM 0 HB3 LEU S 96 29.782 -16.313 8.133 1.00 0.00 H new ATOM 0 HG LEU S 96 29.478 -13.279 8.365 1.00 0.00 H new ATOM 0 HD11 LEU S 96 27.427 -13.867 9.647 1.00 0.00 H new ATOM 0 HD12 LEU S 96 27.348 -14.506 7.988 1.00 0.00 H new ATOM 0 HD13 LEU S 96 27.737 -15.593 9.342 1.00 0.00 H new ATOM 0 HD21 LEU S 96 29.603 -13.688 10.814 1.00 0.00 H new ATOM 0 HD22 LEU S 96 29.899 -15.416 10.508 1.00 0.00 H new ATOM 0 HD23 LEU S 96 31.101 -14.205 10.003 1.00 0.00 H new ATOM 3181 N ARG S 97 32.078 -17.171 8.491 1.00 0.00 N ATOM 3182 CA ARG S 97 32.784 -18.062 9.432 1.00 0.00 C ATOM 3183 C ARG S 97 34.232 -17.613 9.544 1.00 0.00 C ATOM 3184 O ARG S 97 34.858 -17.779 10.572 1.00 0.00 O ATOM 3185 CB ARG S 97 32.753 -19.501 8.892 1.00 0.00 C ATOM 3186 CG ARG S 97 31.839 -19.573 7.668 1.00 0.00 C ATOM 3187 CD ARG S 97 31.763 -21.023 7.181 1.00 0.00 C ATOM 3188 NE ARG S 97 31.262 -21.886 8.287 1.00 0.00 N ATOM 3189 CZ ARG S 97 31.039 -23.153 8.060 1.00 0.00 C ATOM 3190 NH1 ARG S 97 30.634 -23.521 6.873 1.00 0.00 N ATOM 3191 NH2 ARG S 97 31.230 -24.008 9.026 1.00 0.00 N ATOM 0 H ARG S 97 31.526 -17.634 7.769 1.00 0.00 H new ATOM 0 HA ARG S 97 32.300 -18.023 10.408 1.00 0.00 H new ATOM 0 HB2 ARG S 97 33.760 -19.821 8.625 1.00 0.00 H new ATOM 0 HB3 ARG S 97 32.396 -20.182 9.665 1.00 0.00 H new ATOM 0 HG2 ARG S 97 30.843 -19.209 7.921 1.00 0.00 H new ATOM 0 HG3 ARG S 97 32.222 -18.930 6.875 1.00 0.00 H new ATOM 0 HD2 ARG S 97 31.100 -21.095 6.319 1.00 0.00 H new ATOM 0 HD3 ARG S 97 32.747 -21.362 6.856 1.00 0.00 H new ATOM 0 HE ARG S 97 31.095 -21.491 9.213 1.00 0.00 H new ATOM 0 HH11 ARG S 97 30.497 -22.823 6.142 1.00 0.00 H new ATOM 0 HH12 ARG S 97 30.455 -24.506 6.678 1.00 0.00 H new ATOM 0 HH21 ARG S 97 31.548 -23.683 9.939 1.00 0.00 H new ATOM 0 HH22 ARG S 97 31.061 -25.002 8.868 1.00 0.00 H new ATOM 3205 N GLN S 98 34.743 -17.040 8.481 1.00 0.00 N ATOM 3206 CA GLN S 98 36.142 -16.579 8.529 1.00 0.00 C ATOM 3207 C GLN S 98 36.341 -15.634 9.704 1.00 0.00 C ATOM 3208 O GLN S 98 37.072 -15.940 10.625 1.00 0.00 O ATOM 3209 CB GLN S 98 36.449 -15.841 7.232 1.00 0.00 C ATOM 3210 CG GLN S 98 36.577 -16.860 6.110 1.00 0.00 C ATOM 3211 CD GLN S 98 37.967 -17.500 6.167 1.00 0.00 C ATOM 3212 OE1 GLN S 98 38.912 -17.012 5.580 1.00 0.00 O ATOM 3213 NE2 GLN S 98 38.133 -18.592 6.862 1.00 0.00 N ATOM 0 H GLN S 98 34.252 -16.879 7.602 1.00 0.00 H new ATOM 0 HA GLN S 98 36.807 -17.434 8.649 1.00 0.00 H new ATOM 0 HB2 GLN S 98 35.656 -15.128 7.006 1.00 0.00 H new ATOM 0 HB3 GLN S 98 37.372 -15.270 7.331 1.00 0.00 H new ATOM 0 HG2 GLN S 98 35.807 -17.625 6.208 1.00 0.00 H new ATOM 0 HG3 GLN S 98 36.425 -16.377 5.145 1.00 0.00 H new ATOM 0 HE21 GLN S 98 37.343 -19.006 7.357 1.00 0.00 H new ATOM 0 HE22 GLN S 98 39.052 -19.031 6.910 1.00 0.00 H new ATOM 3222 N TRP S 99 35.686 -14.503 9.666 1.00 0.00 N ATOM 3223 CA TRP S 99 35.861 -13.560 10.800 1.00 0.00 C ATOM 3224 C TRP S 99 35.345 -14.150 12.101 1.00 0.00 C ATOM 3225 O TRP S 99 36.095 -14.371 13.035 1.00 0.00 O ATOM 3226 CB TRP S 99 35.062 -12.267 10.594 1.00 0.00 C ATOM 3227 CG TRP S 99 35.345 -11.424 11.819 1.00 0.00 C ATOM 3228 CD1 TRP S 99 36.572 -10.974 12.161 1.00 0.00 C ATOM 3229 CD2 TRP S 99 34.425 -10.951 12.648 1.00 0.00 C ATOM 3230 NE1 TRP S 99 36.330 -10.207 13.211 1.00 0.00 N ATOM 3231 CE2 TRP S 99 35.036 -10.130 13.570 1.00 0.00 C ATOM 3232 CE3 TRP S 99 33.040 -11.071 12.659 1.00 0.00 C ATOM 3233 CZ2 TRP S 99 34.299 -9.430 14.463 1.00 0.00 C ATOM 3234 CZ3 TRP S 99 32.308 -10.345 13.566 1.00 0.00 C ATOM 3235 CH2 TRP S 99 32.952 -9.511 14.449 1.00 0.00 C ATOM 0 H TRP S 99 35.057 -14.201 8.922 1.00 0.00 H new ATOM 0 HA TRP S 99 36.932 -13.363 10.845 1.00 0.00 H new ATOM 0 HB2 TRP S 99 35.371 -11.754 9.683 1.00 0.00 H new ATOM 0 HB3 TRP S 99 33.996 -12.474 10.497 1.00 0.00 H new ATOM 0 HD1 TRP S 99 37.520 -11.189 11.691 1.00 0.00 H new ATOM 0 HE1 TRP S 99 37.069 -9.712 13.711 1.00 0.00 H new ATOM 0 HE3 TRP S 99 32.544 -11.729 11.961 1.00 0.00 H new ATOM 0 HZ2 TRP S 99 34.792 -8.803 15.191 1.00 0.00 H new ATOM 0 HZ3 TRP S 99 31.231 -10.429 13.586 1.00 0.00 H new ATOM 0 HH2 TRP S 99 32.374 -8.914 15.139 1.00 0.00 H new ATOM 3246 N LEU S 100 34.057 -14.362 12.126 1.00 0.00 N ATOM 3247 CA LEU S 100 33.404 -14.933 13.330 1.00 0.00 C ATOM 3248 C LEU S 100 34.331 -15.795 14.185 1.00 0.00 C ATOM 3249 O LEU S 100 34.318 -15.702 15.398 1.00 0.00 O ATOM 3250 CB LEU S 100 32.205 -15.746 12.886 1.00 0.00 C ATOM 3251 CG LEU S 100 31.134 -15.596 13.967 1.00 0.00 C ATOM 3252 CD1 LEU S 100 30.394 -14.261 13.796 1.00 0.00 C ATOM 3253 CD2 LEU S 100 30.138 -16.736 13.848 1.00 0.00 C ATOM 0 H LEU S 100 33.425 -14.160 11.351 1.00 0.00 H new ATOM 0 HA LEU S 100 33.106 -14.098 13.965 1.00 0.00 H new ATOM 0 HB2 LEU S 100 31.834 -15.391 11.924 1.00 0.00 H new ATOM 0 HB3 LEU S 100 32.477 -16.794 12.756 1.00 0.00 H new ATOM 0 HG LEU S 100 31.612 -15.618 14.946 1.00 0.00 H new ATOM 0 HD11 LEU S 100 29.634 -14.165 14.571 1.00 0.00 H new ATOM 0 HD12 LEU S 100 31.104 -13.438 13.880 1.00 0.00 H new ATOM 0 HD13 LEU S 100 29.919 -14.232 12.816 1.00 0.00 H new ATOM 0 HD21 LEU S 100 29.373 -16.632 14.617 1.00 0.00 H new ATOM 0 HD22 LEU S 100 29.670 -16.709 12.864 1.00 0.00 H new ATOM 0 HD23 LEU S 100 30.656 -17.686 13.977 1.00 0.00 H new ATOM 3265 N GLU S 101 35.116 -16.618 13.549 1.00 0.00 N ATOM 3266 CA GLU S 101 36.034 -17.483 14.328 1.00 0.00 C ATOM 3267 C GLU S 101 37.055 -16.656 15.104 1.00 0.00 C ATOM 3268 O GLU S 101 37.228 -16.832 16.293 1.00 0.00 O ATOM 3269 CB GLU S 101 36.793 -18.377 13.344 1.00 0.00 C ATOM 3270 CG GLU S 101 36.131 -19.755 13.286 1.00 0.00 C ATOM 3271 CD GLU S 101 36.552 -20.465 11.996 1.00 0.00 C ATOM 3272 OE1 GLU S 101 37.601 -21.088 12.038 1.00 0.00 O ATOM 3273 OE2 GLU S 101 35.807 -20.337 11.039 1.00 0.00 O ATOM 0 H GLU S 101 35.160 -16.727 12.536 1.00 0.00 H new ATOM 0 HA GLU S 101 35.447 -18.066 15.038 1.00 0.00 H new ATOM 0 HB2 GLU S 101 36.797 -17.923 12.353 1.00 0.00 H new ATOM 0 HB3 GLU S 101 37.833 -18.475 13.654 1.00 0.00 H new ATOM 0 HG2 GLU S 101 36.423 -20.348 14.153 1.00 0.00 H new ATOM 0 HG3 GLU S 101 35.046 -19.652 13.321 1.00 0.00 H new ATOM 3280 N GLU S 102 37.711 -15.772 14.411 1.00 0.00 N ATOM 3281 CA GLU S 102 38.733 -14.919 15.072 1.00 0.00 C ATOM 3282 C GLU S 102 38.163 -13.982 16.147 1.00 0.00 C ATOM 3283 O GLU S 102 38.907 -13.517 16.989 1.00 0.00 O ATOM 3284 CB GLU S 102 39.406 -14.086 13.979 1.00 0.00 C ATOM 3285 CG GLU S 102 40.205 -15.028 13.077 1.00 0.00 C ATOM 3286 CD GLU S 102 40.996 -14.211 12.055 1.00 0.00 C ATOM 3287 OE1 GLU S 102 42.109 -13.845 12.397 1.00 0.00 O ATOM 3288 OE2 GLU S 102 40.445 -14.004 10.985 1.00 0.00 O ATOM 0 H GLU S 102 37.583 -15.603 13.413 1.00 0.00 H new ATOM 0 HA GLU S 102 39.432 -15.575 15.591 1.00 0.00 H new ATOM 0 HB2 GLU S 102 38.658 -13.548 13.397 1.00 0.00 H new ATOM 0 HB3 GLU S 102 40.063 -13.338 14.423 1.00 0.00 H new ATOM 0 HG2 GLU S 102 40.884 -15.634 13.677 1.00 0.00 H new ATOM 0 HG3 GLU S 102 39.532 -15.716 12.565 1.00 0.00 H new ATOM 3295 N VAL S 103 36.877 -13.707 16.115 1.00 0.00 N ATOM 3296 CA VAL S 103 36.317 -12.790 17.163 1.00 0.00 C ATOM 3297 C VAL S 103 35.685 -13.549 18.339 1.00 0.00 C ATOM 3298 O VAL S 103 35.990 -13.261 19.480 1.00 0.00 O ATOM 3299 CB VAL S 103 35.255 -11.870 16.529 1.00 0.00 C ATOM 3300 CG1 VAL S 103 34.382 -12.659 15.561 1.00 0.00 C ATOM 3301 CG2 VAL S 103 34.368 -11.287 17.628 1.00 0.00 C ATOM 0 H VAL S 103 36.210 -14.065 15.432 1.00 0.00 H new ATOM 0 HA VAL S 103 37.150 -12.208 17.557 1.00 0.00 H new ATOM 0 HB VAL S 103 35.762 -11.070 15.989 1.00 0.00 H new ATOM 0 HG11 VAL S 103 33.637 -11.997 15.121 1.00 0.00 H new ATOM 0 HG12 VAL S 103 35.004 -13.081 14.772 1.00 0.00 H new ATOM 0 HG13 VAL S 103 33.880 -13.464 16.097 1.00 0.00 H new ATOM 0 HG21 VAL S 103 33.616 -10.636 17.182 1.00 0.00 H new ATOM 0 HG22 VAL S 103 33.874 -12.097 18.165 1.00 0.00 H new ATOM 0 HG23 VAL S 103 34.980 -10.712 18.323 1.00 0.00 H new ATOM 3311 N LEU S 104 34.832 -14.504 18.061 1.00 0.00 N ATOM 3312 CA LEU S 104 34.199 -15.257 19.187 1.00 0.00 C ATOM 3313 C LEU S 104 35.087 -16.404 19.677 1.00 0.00 C ATOM 3314 O LEU S 104 35.612 -16.350 20.771 1.00 0.00 O ATOM 3315 CB LEU S 104 32.850 -15.832 18.715 1.00 0.00 C ATOM 3316 CG LEU S 104 31.876 -14.678 18.419 1.00 0.00 C ATOM 3317 CD1 LEU S 104 30.580 -15.241 17.824 1.00 0.00 C ATOM 3318 CD2 LEU S 104 31.532 -13.926 19.712 1.00 0.00 C ATOM 0 H LEU S 104 34.551 -14.790 17.123 1.00 0.00 H new ATOM 0 HA LEU S 104 34.056 -14.564 20.016 1.00 0.00 H new ATOM 0 HB2 LEU S 104 32.994 -16.439 17.821 1.00 0.00 H new ATOM 0 HB3 LEU S 104 32.433 -16.486 19.481 1.00 0.00 H new ATOM 0 HG LEU S 104 32.351 -13.995 17.715 1.00 0.00 H new ATOM 0 HD11 LEU S 104 29.890 -14.423 17.615 1.00 0.00 H new ATOM 0 HD12 LEU S 104 30.805 -15.772 16.899 1.00 0.00 H new ATOM 0 HD13 LEU S 104 30.122 -15.929 18.535 1.00 0.00 H new ATOM 0 HD21 LEU S 104 30.842 -13.112 19.487 1.00 0.00 H new ATOM 0 HD22 LEU S 104 31.066 -14.612 20.419 1.00 0.00 H new ATOM 0 HD23 LEU S 104 32.443 -13.518 20.149 1.00 0.00 H new ATOM 3330 N LEU S 105 35.239 -17.421 18.871 1.00 0.00 N ATOM 3331 CA LEU S 105 36.093 -18.566 19.302 1.00 0.00 C ATOM 3332 C LEU S 105 37.396 -18.069 19.924 1.00 0.00 C ATOM 3333 O LEU S 105 38.024 -18.775 20.689 1.00 0.00 O ATOM 3334 CB LEU S 105 36.431 -19.418 18.075 1.00 0.00 C ATOM 3335 CG LEU S 105 36.466 -20.899 18.478 1.00 0.00 C ATOM 3336 CD1 LEU S 105 35.044 -21.463 18.439 1.00 0.00 C ATOM 3337 CD2 LEU S 105 37.342 -21.678 17.492 1.00 0.00 C ATOM 0 H LEU S 105 34.816 -17.509 17.947 1.00 0.00 H new ATOM 0 HA LEU S 105 35.548 -19.149 20.044 1.00 0.00 H new ATOM 0 HB2 LEU S 105 35.689 -19.260 17.293 1.00 0.00 H new ATOM 0 HB3 LEU S 105 37.395 -19.118 17.665 1.00 0.00 H new ATOM 0 HG LEU S 105 36.876 -20.993 19.483 1.00 0.00 H new ATOM 0 HD11 LEU S 105 35.062 -22.515 18.724 1.00 0.00 H new ATOM 0 HD12 LEU S 105 34.414 -20.909 19.135 1.00 0.00 H new ATOM 0 HD13 LEU S 105 34.642 -21.367 17.430 1.00 0.00 H new ATOM 0 HD21 LEU S 105 37.366 -22.729 17.779 1.00 0.00 H new ATOM 0 HD22 LEU S 105 36.930 -21.585 16.487 1.00 0.00 H new ATOM 0 HD23 LEU S 105 38.354 -21.274 17.507 1.00 0.00 H new