USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=8 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 X(o=0,f=0) USER MOD Single : R 17 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : R 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : R 28 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.019) USER MOD Single : R 30 TYR OH : rot 120:sc= -0.452 USER MOD Single : R 31 GLN : amide:sc= -0.0992 X(o=-0.099,f=0) USER MOD Single : R 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : R 35 HIS : no HD1:sc= 0.174 K(o=0.17,f=-4.4!) USER MOD Single : R 40 ASN : amide:sc= -0.0185 X(o=-0.018,f=0) USER MOD Single : R 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : R 44 THR OG1 : rot 73:sc= -0.392! USER MOD Single : R 53 THR OG1 : rot 180:sc= 0.0328 USER MOD Single : R 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 16 HIS : no HD1:sc= -0.0985 X(o=-0.098,f=-0.57) USER MOD Single : S 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 27 LYS NZ :NH3+ -112:sc= 0.279 (180deg=0) USER MOD Single : S 28 ASN : amide:sc= -0.0992 X(o=-0.099,f=0) USER MOD Single : S 30 TYR OH : rot 180:sc= 0 USER MOD Single : S 31 GLN : amide:sc=-0.00633 X(o=-0.0063,f=0) USER MOD Single : S 32 ASN : amide:sc= -4.69! K(o=-4.7!,f=-0.79) USER MOD Single : S 35 HIS : no HD1:sc= -4.75! C(o=-4.8!,f=-10!) USER MOD Single : S 40 ASN : amide:sc= -0.993 K(o=-0.99,f=-2.7!) USER MOD Single : S 42 MET CE :methyl -166:sc= -0.0233 (180deg=-0.315) USER MOD Single : S 44 THR OG1 : rot -160:sc= 0 USER MOD Single : S 53 THR OG1 : rot 105:sc= 0.337 USER MOD Single : S 98 GLN : amide:sc= -0.0496 K(o=-0.05,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 180 N HIS R 16 23.410 -1.310 28.083 1.00 0.00 N ATOM 181 CA HIS R 16 24.572 -0.488 28.522 1.00 0.00 C ATOM 182 C HIS R 16 25.817 -1.353 28.697 1.00 0.00 C ATOM 183 O HIS R 16 26.925 -0.885 28.534 1.00 0.00 O ATOM 184 CB HIS R 16 24.245 0.169 29.869 1.00 0.00 C ATOM 185 CG HIS R 16 24.931 1.535 29.946 1.00 0.00 C ATOM 186 ND1 HIS R 16 24.460 2.616 29.474 1.00 0.00 N ATOM 187 CD2 HIS R 16 26.145 1.892 30.510 1.00 0.00 C ATOM 188 CE1 HIS R 16 25.261 3.591 29.693 1.00 0.00 C ATOM 189 NE2 HIS R 16 26.348 3.209 30.344 1.00 0.00 N ATOM 0 HA HIS R 16 24.766 0.266 27.759 1.00 0.00 H new ATOM 0 HB2 HIS R 16 23.167 0.284 29.978 1.00 0.00 H new ATOM 0 HB3 HIS R 16 24.582 -0.467 30.688 1.00 0.00 H new ATOM 0 HD2 HIS R 16 26.824 1.215 31.007 1.00 0.00 H new ATOM 0 HE1 HIS R 16 25.071 4.608 29.382 1.00 0.00 H new ATOM 0 HE2 HIS R 16 27.142 3.774 30.645 1.00 0.00 H new ATOM 197 N GLN R 17 25.617 -2.601 29.024 1.00 0.00 N ATOM 198 CA GLN R 17 26.790 -3.491 29.209 1.00 0.00 C ATOM 199 C GLN R 17 27.187 -4.156 27.891 1.00 0.00 C ATOM 200 O GLN R 17 28.303 -4.615 27.740 1.00 0.00 O ATOM 201 CB GLN R 17 26.431 -4.565 30.254 1.00 0.00 C ATOM 202 CG GLN R 17 25.934 -5.838 29.559 1.00 0.00 C ATOM 203 CD GLN R 17 25.241 -6.738 30.584 1.00 0.00 C ATOM 204 OE1 GLN R 17 25.636 -6.809 31.732 1.00 0.00 O ATOM 205 NE2 GLN R 17 24.206 -7.442 30.214 1.00 0.00 N ATOM 0 H GLN R 17 24.705 -3.035 29.168 1.00 0.00 H new ATOM 0 HA GLN R 17 27.639 -2.899 29.552 1.00 0.00 H new ATOM 0 HB2 GLN R 17 27.304 -4.793 30.865 1.00 0.00 H new ATOM 0 HB3 GLN R 17 25.662 -4.185 30.926 1.00 0.00 H new ATOM 0 HG2 GLN R 17 25.242 -5.581 28.757 1.00 0.00 H new ATOM 0 HG3 GLN R 17 26.770 -6.366 29.101 1.00 0.00 H new ATOM 0 HE21 GLN R 17 23.869 -7.387 29.253 1.00 0.00 H new ATOM 0 HE22 GLN R 17 23.734 -8.047 30.886 1.00 0.00 H new ATOM 214 N GLU R 18 26.264 -4.192 26.964 1.00 0.00 N ATOM 215 CA GLU R 18 26.560 -4.822 25.647 1.00 0.00 C ATOM 216 C GLU R 18 26.737 -3.754 24.566 1.00 0.00 C ATOM 217 O GLU R 18 27.565 -3.890 23.687 1.00 0.00 O ATOM 218 CB GLU R 18 25.383 -5.724 25.270 1.00 0.00 C ATOM 219 CG GLU R 18 24.079 -5.052 25.708 1.00 0.00 C ATOM 220 CD GLU R 18 22.894 -5.843 25.152 1.00 0.00 C ATOM 221 OE1 GLU R 18 23.041 -6.330 24.045 1.00 0.00 O ATOM 222 OE2 GLU R 18 21.909 -5.915 25.869 1.00 0.00 O ATOM 0 H GLU R 18 25.322 -3.813 27.064 1.00 0.00 H new ATOM 0 HA GLU R 18 27.483 -5.397 25.722 1.00 0.00 H new ATOM 0 HB2 GLU R 18 25.373 -5.900 24.194 1.00 0.00 H new ATOM 0 HB3 GLU R 18 25.485 -6.697 25.751 1.00 0.00 H new ATOM 0 HG2 GLU R 18 24.025 -5.010 26.796 1.00 0.00 H new ATOM 0 HG3 GLU R 18 24.047 -4.024 25.347 1.00 0.00 H new ATOM 229 N TRP R 19 25.954 -2.710 24.655 1.00 0.00 N ATOM 230 CA TRP R 19 26.057 -1.614 23.646 1.00 0.00 C ATOM 231 C TRP R 19 27.520 -1.201 23.454 1.00 0.00 C ATOM 232 O TRP R 19 27.841 -0.460 22.546 1.00 0.00 O ATOM 233 CB TRP R 19 25.253 -0.423 24.173 1.00 0.00 C ATOM 234 CG TRP R 19 25.631 0.825 23.385 1.00 0.00 C ATOM 235 CD1 TRP R 19 26.560 1.718 23.761 1.00 0.00 C ATOM 236 CD2 TRP R 19 25.095 1.181 22.217 1.00 0.00 C ATOM 237 NE1 TRP R 19 26.557 2.611 22.778 1.00 0.00 N ATOM 238 CE2 TRP R 19 25.680 2.357 21.777 1.00 0.00 C ATOM 239 CE3 TRP R 19 24.096 0.586 21.457 1.00 0.00 C ATOM 240 CZ2 TRP R 19 25.277 2.935 20.597 1.00 0.00 C ATOM 241 CZ3 TRP R 19 23.694 1.179 20.273 1.00 0.00 C ATOM 242 CH2 TRP R 19 24.289 2.352 19.848 1.00 0.00 C ATOM 0 H TRP R 19 25.250 -2.569 25.380 1.00 0.00 H new ATOM 0 HA TRP R 19 25.670 -1.951 22.685 1.00 0.00 H new ATOM 0 HB2 TRP R 19 24.185 -0.619 24.077 1.00 0.00 H new ATOM 0 HB3 TRP R 19 25.455 -0.273 25.234 1.00 0.00 H new ATOM 0 HD1 TRP R 19 27.168 1.712 24.654 1.00 0.00 H new ATOM 0 HE1 TRP R 19 27.169 3.427 22.777 1.00 0.00 H new ATOM 0 HE3 TRP R 19 23.636 -0.333 21.788 1.00 0.00 H new ATOM 0 HZ2 TRP R 19 25.740 3.850 20.260 1.00 0.00 H new ATOM 0 HZ3 TRP R 19 22.914 0.725 19.680 1.00 0.00 H new ATOM 0 HH2 TRP R 19 23.974 2.811 18.922 1.00 0.00 H new ATOM 253 N LEU R 20 28.374 -1.696 24.320 1.00 0.00 N ATOM 254 CA LEU R 20 29.822 -1.362 24.227 1.00 0.00 C ATOM 255 C LEU R 20 30.654 -2.592 23.851 1.00 0.00 C ATOM 256 O LEU R 20 31.416 -2.572 22.903 1.00 0.00 O ATOM 257 CB LEU R 20 30.298 -0.910 25.618 1.00 0.00 C ATOM 258 CG LEU R 20 29.870 0.534 25.892 1.00 0.00 C ATOM 259 CD1 LEU R 20 30.268 0.904 27.321 1.00 0.00 C ATOM 260 CD2 LEU R 20 30.572 1.485 24.915 1.00 0.00 C ATOM 0 H LEU R 20 28.124 -2.319 25.088 1.00 0.00 H new ATOM 0 HA LEU R 20 29.948 -0.590 23.468 1.00 0.00 H new ATOM 0 HB2 LEU R 20 29.884 -1.569 26.382 1.00 0.00 H new ATOM 0 HB3 LEU R 20 31.383 -0.991 25.681 1.00 0.00 H new ATOM 0 HG LEU R 20 28.791 0.622 25.764 1.00 0.00 H new ATOM 0 HD11 LEU R 20 29.968 1.931 27.528 1.00 0.00 H new ATOM 0 HD12 LEU R 20 29.772 0.233 28.022 1.00 0.00 H new ATOM 0 HD13 LEU R 20 31.348 0.812 27.433 1.00 0.00 H new ATOM 0 HD21 LEU R 20 30.261 2.510 25.118 1.00 0.00 H new ATOM 0 HD22 LEU R 20 31.652 1.402 25.039 1.00 0.00 H new ATOM 0 HD23 LEU R 20 30.303 1.220 23.893 1.00 0.00 H new ATOM 272 N ARG R 21 30.472 -3.638 24.613 1.00 0.00 N ATOM 273 CA ARG R 21 31.223 -4.898 24.363 1.00 0.00 C ATOM 274 C ARG R 21 31.029 -5.468 22.958 1.00 0.00 C ATOM 275 O ARG R 21 31.984 -5.638 22.234 1.00 0.00 O ATOM 276 CB ARG R 21 30.735 -5.944 25.375 1.00 0.00 C ATOM 277 CG ARG R 21 31.893 -6.877 25.745 1.00 0.00 C ATOM 278 CD ARG R 21 31.415 -7.887 26.793 1.00 0.00 C ATOM 279 NE ARG R 21 32.312 -7.816 27.980 1.00 0.00 N ATOM 280 CZ ARG R 21 33.546 -8.229 27.877 1.00 0.00 C ATOM 281 NH1 ARG R 21 33.789 -9.511 27.930 1.00 0.00 N ATOM 282 NH2 ARG R 21 34.495 -7.347 27.726 1.00 0.00 N ATOM 0 H ARG R 21 29.829 -3.671 25.404 1.00 0.00 H new ATOM 0 HA ARG R 21 32.283 -4.666 24.466 1.00 0.00 H new ATOM 0 HB2 ARG R 21 30.352 -5.450 26.268 1.00 0.00 H new ATOM 0 HB3 ARG R 21 29.912 -6.519 24.951 1.00 0.00 H new ATOM 0 HG2 ARG R 21 32.252 -7.399 24.858 1.00 0.00 H new ATOM 0 HG3 ARG R 21 32.730 -6.299 26.136 1.00 0.00 H new ATOM 0 HD2 ARG R 21 30.387 -7.669 27.084 1.00 0.00 H new ATOM 0 HD3 ARG R 21 31.422 -8.894 26.376 1.00 0.00 H new ATOM 0 HE ARG R 21 31.965 -7.448 28.866 1.00 0.00 H new ATOM 0 HH11 ARG R 21 33.021 -10.171 28.050 1.00 0.00 H new ATOM 0 HH12 ARG R 21 34.747 -9.852 27.851 1.00 0.00 H new ATOM 0 HH21 ARG R 21 34.267 -6.353 27.690 1.00 0.00 H new ATOM 0 HH22 ARG R 21 35.465 -7.651 27.644 1.00 0.00 H new ATOM 296 N PHE R 22 29.807 -5.749 22.594 1.00 0.00 N ATOM 297 CA PHE R 22 29.573 -6.313 21.233 1.00 0.00 C ATOM 298 C PHE R 22 29.685 -5.281 20.105 1.00 0.00 C ATOM 299 O PHE R 22 30.349 -5.519 19.109 1.00 0.00 O ATOM 300 CB PHE R 22 28.175 -6.939 21.200 1.00 0.00 C ATOM 301 CG PHE R 22 28.301 -8.338 20.597 1.00 0.00 C ATOM 302 CD1 PHE R 22 28.241 -8.514 19.228 1.00 0.00 C ATOM 303 CD2 PHE R 22 28.534 -9.436 21.408 1.00 0.00 C ATOM 304 CE1 PHE R 22 28.411 -9.766 18.676 1.00 0.00 C ATOM 305 CE2 PHE R 22 28.704 -10.688 20.854 1.00 0.00 C ATOM 306 CZ PHE R 22 28.646 -10.853 19.489 1.00 0.00 C ATOM 0 H PHE R 22 28.974 -5.616 23.168 1.00 0.00 H new ATOM 0 HA PHE R 22 30.356 -7.050 21.055 1.00 0.00 H new ATOM 0 HB2 PHE R 22 27.757 -6.993 22.205 1.00 0.00 H new ATOM 0 HB3 PHE R 22 27.497 -6.327 20.606 1.00 0.00 H new ATOM 0 HD1 PHE R 22 28.060 -7.665 18.586 1.00 0.00 H new ATOM 0 HD2 PHE R 22 28.583 -9.312 22.480 1.00 0.00 H new ATOM 0 HE1 PHE R 22 28.360 -9.895 17.605 1.00 0.00 H new ATOM 0 HE2 PHE R 22 28.883 -11.540 21.493 1.00 0.00 H new ATOM 0 HZ PHE R 22 28.784 -11.833 19.056 1.00 0.00 H new ATOM 316 N VAL R 23 29.044 -4.161 20.258 1.00 0.00 N ATOM 317 CA VAL R 23 29.132 -3.140 19.179 1.00 0.00 C ATOM 318 C VAL R 23 30.578 -2.896 18.745 1.00 0.00 C ATOM 319 O VAL R 23 30.848 -2.733 17.573 1.00 0.00 O ATOM 320 CB VAL R 23 28.538 -1.824 19.686 1.00 0.00 C ATOM 321 CG1 VAL R 23 28.301 -0.896 18.490 1.00 0.00 C ATOM 322 CG2 VAL R 23 27.200 -2.114 20.366 1.00 0.00 C ATOM 0 H VAL R 23 28.473 -3.909 21.065 1.00 0.00 H new ATOM 0 HA VAL R 23 28.577 -3.512 18.318 1.00 0.00 H new ATOM 0 HB VAL R 23 29.219 -1.353 20.394 1.00 0.00 H new ATOM 0 HG11 VAL R 23 27.877 0.046 18.839 1.00 0.00 H new ATOM 0 HG12 VAL R 23 29.248 -0.703 17.986 1.00 0.00 H new ATOM 0 HG13 VAL R 23 27.609 -1.369 17.794 1.00 0.00 H new ATOM 0 HG21 VAL R 23 26.768 -1.182 20.731 1.00 0.00 H new ATOM 0 HG22 VAL R 23 26.519 -2.573 19.649 1.00 0.00 H new ATOM 0 HG23 VAL R 23 27.357 -2.794 21.203 1.00 0.00 H new ATOM 332 N ASP R 24 31.482 -2.871 19.685 1.00 0.00 N ATOM 333 CA ASP R 24 32.901 -2.636 19.304 1.00 0.00 C ATOM 334 C ASP R 24 33.413 -3.742 18.385 1.00 0.00 C ATOM 335 O ASP R 24 34.289 -3.519 17.574 1.00 0.00 O ATOM 336 CB ASP R 24 33.756 -2.612 20.576 1.00 0.00 C ATOM 337 CG ASP R 24 33.955 -1.160 21.019 1.00 0.00 C ATOM 338 OD1 ASP R 24 32.971 -0.588 21.458 1.00 0.00 O ATOM 339 OD2 ASP R 24 35.079 -0.704 20.891 1.00 0.00 O ATOM 0 H ASP R 24 31.305 -3.000 20.681 1.00 0.00 H new ATOM 0 HA ASP R 24 32.967 -1.686 18.774 1.00 0.00 H new ATOM 0 HB2 ASP R 24 33.270 -3.183 21.367 1.00 0.00 H new ATOM 0 HB3 ASP R 24 34.721 -3.084 20.389 1.00 0.00 H new ATOM 344 N LEU R 25 32.854 -4.913 18.517 1.00 0.00 N ATOM 345 CA LEU R 25 33.307 -6.030 17.651 1.00 0.00 C ATOM 346 C LEU R 25 32.825 -5.799 16.228 1.00 0.00 C ATOM 347 O LEU R 25 33.464 -6.186 15.271 1.00 0.00 O ATOM 348 CB LEU R 25 32.721 -7.341 18.181 1.00 0.00 C ATOM 349 CG LEU R 25 32.868 -7.375 19.705 1.00 0.00 C ATOM 350 CD1 LEU R 25 32.316 -8.698 20.233 1.00 0.00 C ATOM 351 CD2 LEU R 25 34.346 -7.257 20.086 1.00 0.00 C ATOM 0 H LEU R 25 32.112 -5.141 19.179 1.00 0.00 H new ATOM 0 HA LEU R 25 34.396 -6.082 17.658 1.00 0.00 H new ATOM 0 HB2 LEU R 25 31.670 -7.423 17.903 1.00 0.00 H new ATOM 0 HB3 LEU R 25 33.237 -8.191 17.734 1.00 0.00 H new ATOM 0 HG LEU R 25 32.316 -6.542 20.140 1.00 0.00 H new ATOM 0 HD11 LEU R 25 32.418 -8.728 21.318 1.00 0.00 H new ATOM 0 HD12 LEU R 25 31.263 -8.786 19.965 1.00 0.00 H new ATOM 0 HD13 LEU R 25 32.872 -9.526 19.793 1.00 0.00 H new ATOM 0 HD21 LEU R 25 34.445 -7.282 21.171 1.00 0.00 H new ATOM 0 HD22 LEU R 25 34.901 -8.089 19.652 1.00 0.00 H new ATOM 0 HD23 LEU R 25 34.746 -6.317 19.707 1.00 0.00 H new ATOM 363 N LEU R 26 31.681 -5.196 16.111 1.00 0.00 N ATOM 364 CA LEU R 26 31.158 -4.934 14.751 1.00 0.00 C ATOM 365 C LEU R 26 32.248 -4.227 13.945 1.00 0.00 C ATOM 366 O LEU R 26 32.543 -4.580 12.809 1.00 0.00 O ATOM 367 CB LEU R 26 29.949 -3.995 14.886 1.00 0.00 C ATOM 368 CG LEU R 26 29.260 -3.827 13.529 1.00 0.00 C ATOM 369 CD1 LEU R 26 28.230 -4.943 13.344 1.00 0.00 C ATOM 370 CD2 LEU R 26 28.545 -2.475 13.495 1.00 0.00 C ATOM 0 H LEU R 26 31.095 -4.879 16.883 1.00 0.00 H new ATOM 0 HA LEU R 26 30.869 -5.861 14.255 1.00 0.00 H new ATOM 0 HB2 LEU R 26 29.244 -4.399 15.613 1.00 0.00 H new ATOM 0 HB3 LEU R 26 30.273 -3.024 15.261 1.00 0.00 H new ATOM 0 HG LEU R 26 30.001 -3.875 12.731 1.00 0.00 H new ATOM 0 HD11 LEU R 26 27.737 -4.827 12.379 1.00 0.00 H new ATOM 0 HD12 LEU R 26 28.731 -5.910 13.382 1.00 0.00 H new ATOM 0 HD13 LEU R 26 27.487 -4.888 14.140 1.00 0.00 H new ATOM 0 HD21 LEU R 26 28.052 -2.348 12.531 1.00 0.00 H new ATOM 0 HD22 LEU R 26 27.801 -2.437 14.291 1.00 0.00 H new ATOM 0 HD23 LEU R 26 29.272 -1.675 13.639 1.00 0.00 H new ATOM 382 N LYS R 27 32.843 -3.249 14.573 1.00 0.00 N ATOM 383 CA LYS R 27 33.913 -2.494 13.890 1.00 0.00 C ATOM 384 C LYS R 27 35.094 -3.404 13.557 1.00 0.00 C ATOM 385 O LYS R 27 35.823 -3.149 12.622 1.00 0.00 O ATOM 386 CB LYS R 27 34.342 -1.329 14.804 1.00 0.00 C ATOM 387 CG LYS R 27 35.661 -1.626 15.525 1.00 0.00 C ATOM 388 CD LYS R 27 35.798 -0.678 16.720 1.00 0.00 C ATOM 389 CE LYS R 27 37.258 -0.638 17.175 1.00 0.00 C ATOM 390 NZ LYS R 27 37.390 0.158 18.430 1.00 0.00 N ATOM 0 H LYS R 27 32.631 -2.947 15.524 1.00 0.00 H new ATOM 0 HA LYS R 27 33.544 -2.097 12.944 1.00 0.00 H new ATOM 0 HB2 LYS R 27 34.449 -0.422 14.210 1.00 0.00 H new ATOM 0 HB3 LYS R 27 33.561 -1.138 15.540 1.00 0.00 H new ATOM 0 HG2 LYS R 27 35.681 -2.662 15.862 1.00 0.00 H new ATOM 0 HG3 LYS R 27 36.501 -1.496 14.843 1.00 0.00 H new ATOM 0 HD2 LYS R 27 35.464 0.322 16.444 1.00 0.00 H new ATOM 0 HD3 LYS R 27 35.160 -1.012 17.538 1.00 0.00 H new ATOM 0 HE2 LYS R 27 37.622 -1.652 17.340 1.00 0.00 H new ATOM 0 HE3 LYS R 27 37.878 -0.200 16.392 1.00 0.00 H new ATOM 0 HZ1 LYS R 27 38.387 0.176 18.726 1.00 0.00 H new ATOM 0 HZ2 LYS R 27 37.061 1.130 18.261 1.00 0.00 H new ATOM 0 HZ3 LYS R 27 36.814 -0.277 19.179 1.00 0.00 H new ATOM 404 N ASN R 28 35.274 -4.452 14.324 1.00 0.00 N ATOM 405 CA ASN R 28 36.412 -5.355 14.014 1.00 0.00 C ATOM 406 C ASN R 28 36.199 -5.972 12.637 1.00 0.00 C ATOM 407 O ASN R 28 37.048 -5.883 11.773 1.00 0.00 O ATOM 408 CB ASN R 28 36.481 -6.488 15.037 1.00 0.00 C ATOM 409 CG ASN R 28 37.819 -6.433 15.777 1.00 0.00 C ATOM 410 OD1 ASN R 28 38.513 -7.422 15.891 1.00 0.00 O ATOM 411 ND2 ASN R 28 38.220 -5.304 16.291 1.00 0.00 N ATOM 0 H ASN R 28 34.699 -4.711 15.126 1.00 0.00 H new ATOM 0 HA ASN R 28 37.336 -4.777 14.041 1.00 0.00 H new ATOM 0 HB2 ASN R 28 35.658 -6.401 15.746 1.00 0.00 H new ATOM 0 HB3 ASN R 28 36.370 -7.450 14.537 1.00 0.00 H new ATOM 0 HD21 ASN R 28 39.111 -5.256 16.785 1.00 0.00 H new ATOM 0 HD22 ASN R 28 37.642 -4.468 16.199 1.00 0.00 H new ATOM 418 N ALA R 29 35.060 -6.591 12.459 1.00 0.00 N ATOM 419 CA ALA R 29 34.770 -7.219 11.141 1.00 0.00 C ATOM 420 C ALA R 29 35.103 -6.243 10.032 1.00 0.00 C ATOM 421 O ALA R 29 35.789 -6.586 9.093 1.00 0.00 O ATOM 422 CB ALA R 29 33.274 -7.558 11.080 1.00 0.00 C ATOM 0 H ALA R 29 34.327 -6.687 13.162 1.00 0.00 H new ATOM 0 HA ALA R 29 35.368 -8.122 11.020 1.00 0.00 H new ATOM 0 HB1 ALA R 29 33.044 -8.019 10.120 1.00 0.00 H new ATOM 0 HB2 ALA R 29 33.025 -8.250 11.884 1.00 0.00 H new ATOM 0 HB3 ALA R 29 32.689 -6.645 11.193 1.00 0.00 H new ATOM 428 N TYR R 30 34.620 -5.044 10.154 1.00 0.00 N ATOM 429 CA TYR R 30 34.927 -4.062 9.088 1.00 0.00 C ATOM 430 C TYR R 30 36.408 -4.093 8.748 1.00 0.00 C ATOM 431 O TYR R 30 36.810 -4.783 7.802 1.00 0.00 O ATOM 432 CB TYR R 30 34.586 -2.645 9.591 1.00 0.00 C ATOM 433 CG TYR R 30 33.150 -2.277 9.219 1.00 0.00 C ATOM 434 CD1 TYR R 30 32.110 -2.597 10.063 1.00 0.00 C ATOM 435 CD2 TYR R 30 32.881 -1.598 8.049 1.00 0.00 C ATOM 436 CE1 TYR R 30 30.816 -2.243 9.745 1.00 0.00 C ATOM 437 CE2 TYR R 30 31.586 -1.244 7.728 1.00 0.00 C ATOM 438 CZ TYR R 30 30.543 -1.564 8.575 1.00 0.00 C ATOM 439 OH TYR R 30 29.247 -1.208 8.260 1.00 0.00 O ATOM 0 H TYR R 30 34.041 -4.708 10.924 1.00 0.00 H new ATOM 0 HA TYR R 30 34.340 -4.315 8.205 1.00 0.00 H new ATOM 0 HB2 TYR R 30 34.712 -2.596 10.673 1.00 0.00 H new ATOM 0 HB3 TYR R 30 35.277 -1.922 9.157 1.00 0.00 H new ATOM 0 HD1 TYR R 30 32.310 -3.129 10.981 1.00 0.00 H new ATOM 0 HD2 TYR R 30 33.689 -1.342 7.380 1.00 0.00 H new ATOM 0 HE1 TYR R 30 30.010 -2.499 10.417 1.00 0.00 H new ATOM 0 HE2 TYR R 30 31.387 -0.713 6.809 1.00 0.00 H new ATOM 0 HH TYR R 30 29.187 -0.234 8.175 1.00 0.00 H new ATOM 449 N GLN R 31 37.156 -3.458 9.643 1.00 0.00 N ATOM 450 CA GLN R 31 38.639 -3.332 9.544 1.00 0.00 C ATOM 451 C GLN R 31 39.182 -3.973 8.301 1.00 0.00 C ATOM 452 O GLN R 31 39.660 -3.304 7.406 1.00 0.00 O ATOM 453 CB GLN R 31 39.255 -4.031 10.764 1.00 0.00 C ATOM 454 CG GLN R 31 40.740 -3.670 10.858 1.00 0.00 C ATOM 455 CD GLN R 31 40.942 -2.635 11.969 1.00 0.00 C ATOM 456 OE1 GLN R 31 41.390 -1.531 11.730 1.00 0.00 O ATOM 457 NE2 GLN R 31 40.627 -2.951 13.196 1.00 0.00 N ATOM 0 H GLN R 31 36.765 -3.007 10.470 1.00 0.00 H new ATOM 0 HA GLN R 31 38.892 -2.272 9.508 1.00 0.00 H new ATOM 0 HB2 GLN R 31 38.736 -3.725 11.673 1.00 0.00 H new ATOM 0 HB3 GLN R 31 39.136 -5.111 10.677 1.00 0.00 H new ATOM 0 HG2 GLN R 31 41.330 -4.563 11.066 1.00 0.00 H new ATOM 0 HG3 GLN R 31 41.090 -3.271 9.906 1.00 0.00 H new ATOM 0 HE21 GLN R 31 40.250 -3.876 13.404 1.00 0.00 H new ATOM 0 HE22 GLN R 31 40.757 -2.273 13.947 1.00 0.00 H new ATOM 466 N ASN R 32 39.102 -5.248 8.256 1.00 0.00 N ATOM 467 CA ASN R 32 39.616 -5.924 7.063 1.00 0.00 C ATOM 468 C ASN R 32 38.598 -5.737 5.940 1.00 0.00 C ATOM 469 O ASN R 32 38.569 -4.718 5.279 1.00 0.00 O ATOM 470 CB ASN R 32 39.764 -7.410 7.423 1.00 0.00 C ATOM 471 CG ASN R 32 41.189 -7.674 7.915 1.00 0.00 C ATOM 472 OD1 ASN R 32 41.989 -8.282 7.235 1.00 0.00 O ATOM 473 ND2 ASN R 32 41.543 -7.236 9.094 1.00 0.00 N ATOM 0 H ASN R 32 38.709 -5.849 8.981 1.00 0.00 H new ATOM 0 HA ASN R 32 40.576 -5.525 6.736 1.00 0.00 H new ATOM 0 HB2 ASN R 32 39.045 -7.682 8.195 1.00 0.00 H new ATOM 0 HB3 ASN R 32 39.547 -8.030 6.553 1.00 0.00 H new ATOM 0 HD21 ASN R 32 42.488 -7.406 9.439 1.00 0.00 H new ATOM 0 HD22 ASN R 32 40.874 -6.724 9.670 1.00 0.00 H new ATOM 480 N ASP R 33 37.798 -6.729 5.748 1.00 0.00 N ATOM 481 CA ASP R 33 36.762 -6.672 4.694 1.00 0.00 C ATOM 482 C ASP R 33 35.648 -7.597 5.114 1.00 0.00 C ATOM 483 O ASP R 33 34.887 -8.073 4.294 1.00 0.00 O ATOM 484 CB ASP R 33 37.348 -7.173 3.369 1.00 0.00 C ATOM 485 CG ASP R 33 38.848 -6.874 3.321 1.00 0.00 C ATOM 486 OD1 ASP R 33 39.162 -5.708 3.145 1.00 0.00 O ATOM 487 OD2 ASP R 33 39.596 -7.828 3.461 1.00 0.00 O ATOM 0 H ASP R 33 37.815 -7.596 6.285 1.00 0.00 H new ATOM 0 HA ASP R 33 36.403 -5.651 4.562 1.00 0.00 H new ATOM 0 HB2 ASP R 33 37.178 -8.245 3.268 1.00 0.00 H new ATOM 0 HB3 ASP R 33 36.844 -6.690 2.532 1.00 0.00 H new ATOM 492 N LEU R 34 35.559 -7.835 6.396 1.00 0.00 N ATOM 493 CA LEU R 34 34.494 -8.762 6.867 1.00 0.00 C ATOM 494 C LEU R 34 33.162 -8.093 7.205 1.00 0.00 C ATOM 495 O LEU R 34 32.296 -8.720 7.779 1.00 0.00 O ATOM 496 CB LEU R 34 35.028 -9.516 8.093 1.00 0.00 C ATOM 497 CG LEU R 34 35.986 -10.649 7.651 1.00 0.00 C ATOM 498 CD1 LEU R 34 35.193 -11.806 7.019 1.00 0.00 C ATOM 499 CD2 LEU R 34 37.007 -10.114 6.638 1.00 0.00 C ATOM 0 H LEU R 34 36.160 -7.439 7.119 1.00 0.00 H new ATOM 0 HA LEU R 34 34.268 -9.433 6.038 1.00 0.00 H new ATOM 0 HB2 LEU R 34 35.551 -8.825 8.754 1.00 0.00 H new ATOM 0 HB3 LEU R 34 34.197 -9.934 8.662 1.00 0.00 H new ATOM 0 HG LEU R 34 36.512 -11.017 8.532 1.00 0.00 H new ATOM 0 HD11 LEU R 34 35.881 -12.594 6.714 1.00 0.00 H new ATOM 0 HD12 LEU R 34 34.486 -12.203 7.747 1.00 0.00 H new ATOM 0 HD13 LEU R 34 34.649 -11.441 6.148 1.00 0.00 H new ATOM 0 HD21 LEU R 34 37.675 -10.920 6.335 1.00 0.00 H new ATOM 0 HD22 LEU R 34 36.484 -9.728 5.763 1.00 0.00 H new ATOM 0 HD23 LEU R 34 37.588 -9.314 7.096 1.00 0.00 H new ATOM 511 N HIS R 35 33.003 -6.848 6.867 1.00 0.00 N ATOM 512 CA HIS R 35 31.697 -6.218 7.202 1.00 0.00 C ATOM 513 C HIS R 35 30.580 -6.840 6.361 1.00 0.00 C ATOM 514 O HIS R 35 29.629 -7.362 6.899 1.00 0.00 O ATOM 515 CB HIS R 35 31.718 -4.694 6.942 1.00 0.00 C ATOM 516 CG HIS R 35 32.418 -4.341 5.625 1.00 0.00 C ATOM 517 ND1 HIS R 35 33.645 -4.529 5.362 1.00 0.00 N ATOM 518 CD2 HIS R 35 31.911 -3.695 4.510 1.00 0.00 C ATOM 519 CE1 HIS R 35 33.933 -4.063 4.201 1.00 0.00 C ATOM 520 NE2 HIS R 35 32.884 -3.521 3.605 1.00 0.00 N ATOM 0 H HIS R 35 33.687 -6.258 6.393 1.00 0.00 H new ATOM 0 HA HIS R 35 31.516 -6.393 8.262 1.00 0.00 H new ATOM 0 HB2 HIS R 35 30.696 -4.317 6.921 1.00 0.00 H new ATOM 0 HB3 HIS R 35 32.225 -4.193 7.767 1.00 0.00 H new ATOM 0 HD2 HIS R 35 30.886 -3.379 4.388 1.00 0.00 H new ATOM 0 HE1 HIS R 35 34.918 -4.108 3.761 1.00 0.00 H new ATOM 0 HE2 HIS R 35 32.829 -3.081 2.687 1.00 0.00 H new ATOM 528 N LEU R 36 30.775 -6.846 5.063 1.00 0.00 N ATOM 529 CA LEU R 36 29.746 -7.424 4.128 1.00 0.00 C ATOM 530 C LEU R 36 28.856 -8.517 4.758 1.00 0.00 C ATOM 531 O LEU R 36 27.659 -8.328 4.874 1.00 0.00 O ATOM 532 CB LEU R 36 30.454 -8.010 2.882 1.00 0.00 C ATOM 533 CG LEU R 36 30.306 -7.094 1.649 1.00 0.00 C ATOM 534 CD1 LEU R 36 28.887 -7.217 1.070 1.00 0.00 C ATOM 535 CD2 LEU R 36 30.594 -5.637 2.026 1.00 0.00 C ATOM 0 H LEU R 36 31.607 -6.474 4.605 1.00 0.00 H new ATOM 0 HA LEU R 36 29.084 -6.599 3.865 1.00 0.00 H new ATOM 0 HB2 LEU R 36 31.512 -8.155 3.101 1.00 0.00 H new ATOM 0 HB3 LEU R 36 30.037 -8.992 2.656 1.00 0.00 H new ATOM 0 HG LEU R 36 31.027 -7.407 0.894 1.00 0.00 H new ATOM 0 HD11 LEU R 36 28.791 -6.567 0.200 1.00 0.00 H new ATOM 0 HD12 LEU R 36 28.703 -8.250 0.773 1.00 0.00 H new ATOM 0 HD13 LEU R 36 28.159 -6.921 1.825 1.00 0.00 H new ATOM 0 HD21 LEU R 36 30.485 -5.005 1.145 1.00 0.00 H new ATOM 0 HD22 LEU R 36 29.891 -5.314 2.794 1.00 0.00 H new ATOM 0 HD23 LEU R 36 31.611 -5.554 2.408 1.00 0.00 H new ATOM 547 N PRO R 37 29.431 -9.633 5.173 1.00 0.00 N ATOM 548 CA PRO R 37 28.633 -10.718 5.779 1.00 0.00 C ATOM 549 C PRO R 37 27.749 -10.243 6.949 1.00 0.00 C ATOM 550 O PRO R 37 26.618 -9.852 6.736 1.00 0.00 O ATOM 551 CB PRO R 37 29.675 -11.749 6.251 1.00 0.00 C ATOM 552 CG PRO R 37 31.073 -11.113 6.054 1.00 0.00 C ATOM 553 CD PRO R 37 30.889 -9.908 5.126 1.00 0.00 C ATOM 0 HA PRO R 37 27.925 -11.128 5.059 1.00 0.00 H new ATOM 0 HB2 PRO R 37 29.514 -12.007 7.298 1.00 0.00 H new ATOM 0 HB3 PRO R 37 29.589 -12.673 5.678 1.00 0.00 H new ATOM 0 HG2 PRO R 37 31.494 -10.803 7.010 1.00 0.00 H new ATOM 0 HG3 PRO R 37 31.766 -11.833 5.619 1.00 0.00 H new ATOM 0 HD2 PRO R 37 31.468 -9.050 5.468 1.00 0.00 H new ATOM 0 HD3 PRO R 37 31.220 -10.132 4.112 1.00 0.00 H new ATOM 561 N LEU R 38 28.261 -10.284 8.157 1.00 0.00 N ATOM 562 CA LEU R 38 27.436 -9.836 9.306 1.00 0.00 C ATOM 563 C LEU R 38 26.778 -8.499 9.033 1.00 0.00 C ATOM 564 O LEU R 38 25.608 -8.328 9.315 1.00 0.00 O ATOM 565 CB LEU R 38 28.330 -9.693 10.543 1.00 0.00 C ATOM 566 CG LEU R 38 27.809 -10.620 11.641 1.00 0.00 C ATOM 567 CD1 LEU R 38 28.821 -10.675 12.780 1.00 0.00 C ATOM 568 CD2 LEU R 38 26.485 -10.075 12.181 1.00 0.00 C ATOM 0 H LEU R 38 29.201 -10.605 8.388 1.00 0.00 H new ATOM 0 HA LEU R 38 26.657 -10.581 9.469 1.00 0.00 H new ATOM 0 HB2 LEU R 38 29.361 -9.946 10.294 1.00 0.00 H new ATOM 0 HB3 LEU R 38 28.330 -8.660 10.891 1.00 0.00 H new ATOM 0 HG LEU R 38 27.659 -11.618 11.230 1.00 0.00 H new ATOM 0 HD11 LEU R 38 28.451 -11.336 13.564 1.00 0.00 H new ATOM 0 HD12 LEU R 38 29.771 -11.054 12.404 1.00 0.00 H new ATOM 0 HD13 LEU R 38 28.965 -9.674 13.187 1.00 0.00 H new ATOM 0 HD21 LEU R 38 26.112 -10.735 12.964 1.00 0.00 H new ATOM 0 HD22 LEU R 38 26.642 -9.078 12.592 1.00 0.00 H new ATOM 0 HD23 LEU R 38 25.756 -10.023 11.372 1.00 0.00 H new ATOM 580 N LEU R 39 27.546 -7.569 8.524 1.00 0.00 N ATOM 581 CA LEU R 39 26.949 -6.221 8.232 1.00 0.00 C ATOM 582 C LEU R 39 25.505 -6.363 7.755 1.00 0.00 C ATOM 583 O LEU R 39 24.629 -5.655 8.208 1.00 0.00 O ATOM 584 CB LEU R 39 27.758 -5.527 7.126 1.00 0.00 C ATOM 585 CG LEU R 39 27.107 -4.191 6.747 1.00 0.00 C ATOM 586 CD1 LEU R 39 26.939 -3.320 7.989 1.00 0.00 C ATOM 587 CD2 LEU R 39 28.016 -3.468 5.753 1.00 0.00 C ATOM 0 H LEU R 39 28.536 -7.675 8.301 1.00 0.00 H new ATOM 0 HA LEU R 39 26.973 -5.632 9.149 1.00 0.00 H new ATOM 0 HB2 LEU R 39 28.780 -5.358 7.466 1.00 0.00 H new ATOM 0 HB3 LEU R 39 27.816 -6.172 6.249 1.00 0.00 H new ATOM 0 HG LEU R 39 26.128 -4.377 6.305 1.00 0.00 H new ATOM 0 HD11 LEU R 39 26.476 -2.374 7.710 1.00 0.00 H new ATOM 0 HD12 LEU R 39 26.305 -3.835 8.711 1.00 0.00 H new ATOM 0 HD13 LEU R 39 27.915 -3.129 8.434 1.00 0.00 H new ATOM 0 HD21 LEU R 39 27.565 -2.515 5.474 1.00 0.00 H new ATOM 0 HD22 LEU R 39 28.988 -3.289 6.213 1.00 0.00 H new ATOM 0 HD23 LEU R 39 28.144 -4.083 4.862 1.00 0.00 H new ATOM 599 N ASN R 40 25.284 -7.276 6.848 1.00 0.00 N ATOM 600 CA ASN R 40 23.900 -7.468 6.342 1.00 0.00 C ATOM 601 C ASN R 40 23.024 -8.121 7.411 1.00 0.00 C ATOM 602 O ASN R 40 21.894 -7.723 7.619 1.00 0.00 O ATOM 603 CB ASN R 40 23.957 -8.380 5.112 1.00 0.00 C ATOM 604 CG ASN R 40 22.601 -8.357 4.405 1.00 0.00 C ATOM 605 OD1 ASN R 40 21.923 -9.360 4.307 1.00 0.00 O ATOM 606 ND2 ASN R 40 22.171 -7.234 3.898 1.00 0.00 N ATOM 0 H ASN R 40 25.992 -7.888 6.442 1.00 0.00 H new ATOM 0 HA ASN R 40 23.471 -6.499 6.085 1.00 0.00 H new ATOM 0 HB2 ASN R 40 24.741 -8.045 4.432 1.00 0.00 H new ATOM 0 HB3 ASN R 40 24.208 -9.398 5.411 1.00 0.00 H new ATOM 0 HD21 ASN R 40 21.269 -7.201 3.422 1.00 0.00 H new ATOM 0 HD22 ASN R 40 22.737 -6.389 3.978 1.00 0.00 H new ATOM 613 N LEU R 41 23.559 -9.115 8.069 1.00 0.00 N ATOM 614 CA LEU R 41 22.771 -9.803 9.127 1.00 0.00 C ATOM 615 C LEU R 41 22.543 -8.874 10.314 1.00 0.00 C ATOM 616 O LEU R 41 21.989 -9.275 11.321 1.00 0.00 O ATOM 617 CB LEU R 41 23.576 -11.016 9.623 1.00 0.00 C ATOM 618 CG LEU R 41 22.625 -12.184 9.902 1.00 0.00 C ATOM 619 CD1 LEU R 41 22.133 -12.775 8.577 1.00 0.00 C ATOM 620 CD2 LEU R 41 23.381 -13.261 10.679 1.00 0.00 C ATOM 0 H LEU R 41 24.501 -9.477 7.920 1.00 0.00 H new ATOM 0 HA LEU R 41 21.809 -10.104 8.712 1.00 0.00 H new ATOM 0 HB2 LEU R 41 24.314 -11.306 8.875 1.00 0.00 H new ATOM 0 HB3 LEU R 41 24.124 -10.756 10.528 1.00 0.00 H new ATOM 0 HG LEU R 41 21.771 -11.831 10.481 1.00 0.00 H new ATOM 0 HD11 LEU R 41 21.457 -13.606 8.778 1.00 0.00 H new ATOM 0 HD12 LEU R 41 21.607 -12.008 8.010 1.00 0.00 H new ATOM 0 HD13 LEU R 41 22.985 -13.133 7.999 1.00 0.00 H new ATOM 0 HD21 LEU R 41 22.714 -14.098 10.884 1.00 0.00 H new ATOM 0 HD22 LEU R 41 24.229 -13.609 10.088 1.00 0.00 H new ATOM 0 HD23 LEU R 41 23.741 -12.846 11.620 1.00 0.00 H new ATOM 632 N MET R 42 22.976 -7.647 10.172 1.00 0.00 N ATOM 633 CA MET R 42 22.800 -6.667 11.281 1.00 0.00 C ATOM 634 C MET R 42 21.713 -5.638 10.973 1.00 0.00 C ATOM 635 O MET R 42 20.993 -5.222 11.860 1.00 0.00 O ATOM 636 CB MET R 42 24.132 -5.927 11.462 1.00 0.00 C ATOM 637 CG MET R 42 24.009 -4.908 12.599 1.00 0.00 C ATOM 638 SD MET R 42 24.084 -3.156 12.149 1.00 0.00 S ATOM 639 CE MET R 42 23.786 -2.474 13.798 1.00 0.00 C ATOM 0 H MET R 42 23.441 -7.285 9.340 1.00 0.00 H new ATOM 0 HA MET R 42 22.502 -7.208 12.179 1.00 0.00 H new ATOM 0 HB2 MET R 42 24.927 -6.639 11.684 1.00 0.00 H new ATOM 0 HB3 MET R 42 24.406 -5.421 10.536 1.00 0.00 H new ATOM 0 HG2 MET R 42 23.063 -5.085 13.111 1.00 0.00 H new ATOM 0 HG3 MET R 42 24.803 -5.107 13.318 1.00 0.00 H new ATOM 0 HE1 MET R 42 23.791 -1.385 13.748 1.00 0.00 H new ATOM 0 HE2 MET R 42 22.818 -2.816 14.163 1.00 0.00 H new ATOM 0 HE3 MET R 42 24.569 -2.810 14.478 1.00 0.00 H new ATOM 649 N LEU R 43 21.609 -5.249 9.733 1.00 0.00 N ATOM 650 CA LEU R 43 20.583 -4.251 9.368 1.00 0.00 C ATOM 651 C LEU R 43 19.348 -4.881 8.721 1.00 0.00 C ATOM 652 O LEU R 43 18.250 -4.405 8.913 1.00 0.00 O ATOM 653 CB LEU R 43 21.230 -3.315 8.353 1.00 0.00 C ATOM 654 CG LEU R 43 22.145 -2.324 9.084 1.00 0.00 C ATOM 655 CD1 LEU R 43 23.249 -1.874 8.126 1.00 0.00 C ATOM 656 CD2 LEU R 43 21.340 -1.104 9.535 1.00 0.00 C ATOM 0 H LEU R 43 22.191 -5.581 8.964 1.00 0.00 H new ATOM 0 HA LEU R 43 20.248 -3.742 10.272 1.00 0.00 H new ATOM 0 HB2 LEU R 43 21.805 -3.890 7.627 1.00 0.00 H new ATOM 0 HB3 LEU R 43 20.462 -2.776 7.798 1.00 0.00 H new ATOM 0 HG LEU R 43 22.579 -2.807 9.959 1.00 0.00 H new ATOM 0 HD11 LEU R 43 23.907 -1.169 8.634 1.00 0.00 H new ATOM 0 HD12 LEU R 43 23.826 -2.740 7.803 1.00 0.00 H new ATOM 0 HD13 LEU R 43 22.802 -1.392 7.257 1.00 0.00 H new ATOM 0 HD21 LEU R 43 21.997 -0.406 10.053 1.00 0.00 H new ATOM 0 HD22 LEU R 43 20.904 -0.614 8.665 1.00 0.00 H new ATOM 0 HD23 LEU R 43 20.545 -1.422 10.209 1.00 0.00 H new ATOM 668 N THR R 44 19.534 -5.955 8.001 1.00 0.00 N ATOM 669 CA THR R 44 18.365 -6.610 7.339 1.00 0.00 C ATOM 670 C THR R 44 17.654 -5.574 6.451 1.00 0.00 C ATOM 671 O THR R 44 17.775 -4.386 6.668 1.00 0.00 O ATOM 672 CB THR R 44 17.370 -7.155 8.403 1.00 0.00 C ATOM 673 OG1 THR R 44 17.700 -6.548 9.639 1.00 0.00 O ATOM 674 CG2 THR R 44 17.605 -8.649 8.661 1.00 0.00 C ATOM 0 H THR R 44 20.436 -6.405 7.843 1.00 0.00 H new ATOM 0 HA THR R 44 18.716 -7.446 6.735 1.00 0.00 H new ATOM 0 HB THR R 44 16.357 -6.963 8.050 1.00 0.00 H new ATOM 0 HG1 THR R 44 17.423 -5.608 9.626 1.00 0.00 H new ATOM 0 HG21 THR R 44 16.896 -9.005 9.409 1.00 0.00 H new ATOM 0 HG22 THR R 44 17.464 -9.205 7.734 1.00 0.00 H new ATOM 0 HG23 THR R 44 18.622 -8.800 9.024 1.00 0.00 H new ATOM 682 N PRO R 45 16.929 -6.028 5.455 1.00 0.00 N ATOM 683 CA PRO R 45 16.212 -5.118 4.544 1.00 0.00 C ATOM 684 C PRO R 45 15.553 -3.938 5.270 1.00 0.00 C ATOM 685 O PRO R 45 15.883 -2.795 5.016 1.00 0.00 O ATOM 686 CB PRO R 45 15.142 -6.015 3.901 1.00 0.00 C ATOM 687 CG PRO R 45 15.568 -7.486 4.148 1.00 0.00 C ATOM 688 CD PRO R 45 16.725 -7.461 5.163 1.00 0.00 C ATOM 0 HA PRO R 45 16.893 -4.658 3.827 1.00 0.00 H new ATOM 0 HB2 PRO R 45 14.163 -5.819 4.338 1.00 0.00 H new ATOM 0 HB3 PRO R 45 15.061 -5.812 2.833 1.00 0.00 H new ATOM 0 HG2 PRO R 45 14.731 -8.069 4.533 1.00 0.00 H new ATOM 0 HG3 PRO R 45 15.883 -7.957 3.217 1.00 0.00 H new ATOM 0 HD2 PRO R 45 16.474 -8.018 6.065 1.00 0.00 H new ATOM 0 HD3 PRO R 45 17.626 -7.914 4.749 1.00 0.00 H new ATOM 696 N ASP R 46 14.643 -4.241 6.151 1.00 0.00 N ATOM 697 CA ASP R 46 13.942 -3.161 6.907 1.00 0.00 C ATOM 698 C ASP R 46 14.877 -2.012 7.307 1.00 0.00 C ATOM 699 O ASP R 46 14.642 -0.875 6.950 1.00 0.00 O ATOM 700 CB ASP R 46 13.348 -3.780 8.177 1.00 0.00 C ATOM 701 CG ASP R 46 12.144 -2.953 8.631 1.00 0.00 C ATOM 702 OD1 ASP R 46 12.386 -1.840 9.070 1.00 0.00 O ATOM 703 OD2 ASP R 46 11.051 -3.483 8.517 1.00 0.00 O ATOM 0 H ASP R 46 14.352 -5.191 6.383 1.00 0.00 H new ATOM 0 HA ASP R 46 13.173 -2.740 6.259 1.00 0.00 H new ATOM 0 HB2 ASP R 46 13.045 -4.809 7.985 1.00 0.00 H new ATOM 0 HB3 ASP R 46 14.100 -3.811 8.966 1.00 0.00 H new ATOM 708 N GLU R 47 15.911 -2.316 8.043 1.00 0.00 N ATOM 709 CA GLU R 47 16.841 -1.226 8.456 1.00 0.00 C ATOM 710 C GLU R 47 17.911 -0.958 7.400 1.00 0.00 C ATOM 711 O GLU R 47 18.648 -0.001 7.505 1.00 0.00 O ATOM 712 CB GLU R 47 17.538 -1.616 9.768 1.00 0.00 C ATOM 713 CG GLU R 47 16.588 -2.445 10.635 1.00 0.00 C ATOM 714 CD GLU R 47 16.964 -2.256 12.106 1.00 0.00 C ATOM 715 OE1 GLU R 47 18.104 -2.558 12.415 1.00 0.00 O ATOM 716 OE2 GLU R 47 16.091 -1.817 12.837 1.00 0.00 O ATOM 0 H GLU R 47 16.150 -3.252 8.371 1.00 0.00 H new ATOM 0 HA GLU R 47 16.247 -0.321 8.584 1.00 0.00 H new ATOM 0 HB2 GLU R 47 18.441 -2.187 9.554 1.00 0.00 H new ATOM 0 HB3 GLU R 47 17.847 -0.720 10.306 1.00 0.00 H new ATOM 0 HG2 GLU R 47 15.557 -2.134 10.467 1.00 0.00 H new ATOM 0 HG3 GLU R 47 16.652 -3.498 10.362 1.00 0.00 H new ATOM 723 N ARG R 48 18.002 -1.800 6.406 1.00 0.00 N ATOM 724 CA ARG R 48 19.041 -1.543 5.375 1.00 0.00 C ATOM 725 C ARG R 48 18.701 -0.270 4.610 1.00 0.00 C ATOM 726 O ARG R 48 19.421 0.704 4.675 1.00 0.00 O ATOM 727 CB ARG R 48 19.109 -2.710 4.380 1.00 0.00 C ATOM 728 CG ARG R 48 20.416 -2.583 3.592 1.00 0.00 C ATOM 729 CD ARG R 48 20.388 -3.514 2.380 1.00 0.00 C ATOM 730 NE ARG R 48 21.560 -3.194 1.515 1.00 0.00 N ATOM 731 CZ ARG R 48 22.426 -4.128 1.224 1.00 0.00 C ATOM 732 NH1 ARG R 48 23.250 -4.533 2.150 1.00 0.00 N ATOM 733 NH2 ARG R 48 22.444 -4.616 0.014 1.00 0.00 N ATOM 0 H ARG R 48 17.422 -2.627 6.266 1.00 0.00 H new ATOM 0 HA ARG R 48 20.003 -1.436 5.875 1.00 0.00 H new ATOM 0 HB2 ARG R 48 19.073 -3.663 4.907 1.00 0.00 H new ATOM 0 HB3 ARG R 48 18.253 -2.686 3.705 1.00 0.00 H new ATOM 0 HG2 ARG R 48 20.555 -1.552 3.266 1.00 0.00 H new ATOM 0 HG3 ARG R 48 21.262 -2.832 4.233 1.00 0.00 H new ATOM 0 HD2 ARG R 48 20.426 -4.555 2.700 1.00 0.00 H new ATOM 0 HD3 ARG R 48 19.459 -3.385 1.824 1.00 0.00 H new ATOM 0 HE ARG R 48 21.685 -2.249 1.152 1.00 0.00 H new ATOM 0 HH11 ARG R 48 23.211 -4.122 3.083 1.00 0.00 H new ATOM 0 HH12 ARG R 48 23.933 -5.261 1.942 1.00 0.00 H new ATOM 0 HH21 ARG R 48 21.789 -4.268 -0.686 1.00 0.00 H new ATOM 0 HH22 ARG R 48 23.113 -5.346 -0.232 1.00 0.00 H new ATOM 747 N GLU R 49 17.606 -0.298 3.897 1.00 0.00 N ATOM 748 CA GLU R 49 17.216 0.911 3.129 1.00 0.00 C ATOM 749 C GLU R 49 17.235 2.132 4.040 1.00 0.00 C ATOM 750 O GLU R 49 17.390 3.248 3.586 1.00 0.00 O ATOM 751 CB GLU R 49 15.796 0.708 2.587 1.00 0.00 C ATOM 752 CG GLU R 49 15.850 -0.228 1.377 1.00 0.00 C ATOM 753 CD GLU R 49 14.464 -0.300 0.733 1.00 0.00 C ATOM 754 OE1 GLU R 49 13.602 -0.878 1.373 1.00 0.00 O ATOM 755 OE2 GLU R 49 14.348 0.224 -0.361 1.00 0.00 O ATOM 0 H GLU R 49 16.975 -1.096 3.816 1.00 0.00 H new ATOM 0 HA GLU R 49 17.917 1.068 2.309 1.00 0.00 H new ATOM 0 HB2 GLU R 49 15.155 0.285 3.361 1.00 0.00 H new ATOM 0 HB3 GLU R 49 15.362 1.666 2.302 1.00 0.00 H new ATOM 0 HG2 GLU R 49 16.581 0.134 0.654 1.00 0.00 H new ATOM 0 HG3 GLU R 49 16.173 -1.222 1.686 1.00 0.00 H new ATOM 762 N ALA R 50 17.075 1.893 5.311 1.00 0.00 N ATOM 763 CA ALA R 50 17.084 3.029 6.262 1.00 0.00 C ATOM 764 C ALA R 50 18.486 3.616 6.321 1.00 0.00 C ATOM 765 O ALA R 50 18.658 4.816 6.405 1.00 0.00 O ATOM 766 CB ALA R 50 16.692 2.524 7.656 1.00 0.00 C ATOM 0 H ALA R 50 16.940 0.971 5.725 1.00 0.00 H new ATOM 0 HA ALA R 50 16.376 3.790 5.934 1.00 0.00 H new ATOM 0 HB1 ALA R 50 16.697 3.357 8.359 1.00 0.00 H new ATOM 0 HB2 ALA R 50 15.694 2.088 7.618 1.00 0.00 H new ATOM 0 HB3 ALA R 50 17.406 1.768 7.983 1.00 0.00 H new ATOM 772 N LEU R 51 19.471 2.751 6.278 1.00 0.00 N ATOM 773 CA LEU R 51 20.867 3.248 6.329 1.00 0.00 C ATOM 774 C LEU R 51 21.018 4.404 5.356 1.00 0.00 C ATOM 775 O LEU R 51 21.739 5.349 5.608 1.00 0.00 O ATOM 776 CB LEU R 51 21.814 2.116 5.912 1.00 0.00 C ATOM 777 CG LEU R 51 23.249 2.657 5.874 1.00 0.00 C ATOM 778 CD1 LEU R 51 24.200 1.614 6.468 1.00 0.00 C ATOM 779 CD2 LEU R 51 23.668 2.935 4.428 1.00 0.00 C ATOM 0 H LEU R 51 19.364 1.739 6.211 1.00 0.00 H new ATOM 0 HA LEU R 51 21.107 3.581 7.339 1.00 0.00 H new ATOM 0 HB2 LEU R 51 21.742 1.286 6.615 1.00 0.00 H new ATOM 0 HB3 LEU R 51 21.531 1.729 4.933 1.00 0.00 H new ATOM 0 HG LEU R 51 23.293 3.581 6.451 1.00 0.00 H new ATOM 0 HD11 LEU R 51 25.221 1.996 6.442 1.00 0.00 H new ATOM 0 HD12 LEU R 51 23.915 1.408 7.500 1.00 0.00 H new ATOM 0 HD13 LEU R 51 24.142 0.695 5.885 1.00 0.00 H new ATOM 0 HD21 LEU R 51 24.688 3.319 4.412 1.00 0.00 H new ATOM 0 HD22 LEU R 51 23.619 2.012 3.851 1.00 0.00 H new ATOM 0 HD23 LEU R 51 22.996 3.673 3.990 1.00 0.00 H new ATOM 791 N GLY R 52 20.339 4.301 4.248 1.00 0.00 N ATOM 792 CA GLY R 52 20.429 5.391 3.246 1.00 0.00 C ATOM 793 C GLY R 52 19.895 6.668 3.888 1.00 0.00 C ATOM 794 O GLY R 52 20.541 7.699 3.870 1.00 0.00 O ATOM 0 H GLY R 52 19.734 3.519 3.997 1.00 0.00 H new ATOM 0 HA2 GLY R 52 21.461 5.529 2.925 1.00 0.00 H new ATOM 0 HA3 GLY R 52 19.850 5.140 2.357 1.00 0.00 H new ATOM 798 N THR R 53 18.719 6.566 4.453 1.00 0.00 N ATOM 799 CA THR R 53 18.125 7.762 5.107 1.00 0.00 C ATOM 800 C THR R 53 19.145 8.373 6.060 1.00 0.00 C ATOM 801 O THR R 53 19.089 9.544 6.376 1.00 0.00 O ATOM 802 CB THR R 53 16.895 7.328 5.909 1.00 0.00 C ATOM 803 OG1 THR R 53 16.162 6.483 5.040 1.00 0.00 O ATOM 804 CG2 THR R 53 15.965 8.521 6.166 1.00 0.00 C ATOM 0 H THR R 53 18.154 5.718 4.488 1.00 0.00 H new ATOM 0 HA THR R 53 17.842 8.494 4.351 1.00 0.00 H new ATOM 0 HB THR R 53 17.206 6.877 6.851 1.00 0.00 H new ATOM 0 HG1 THR R 53 15.355 6.166 5.496 1.00 0.00 H new ATOM 0 HG21 THR R 53 15.098 8.190 6.737 1.00 0.00 H new ATOM 0 HG22 THR R 53 16.501 9.285 6.730 1.00 0.00 H new ATOM 0 HG23 THR R 53 15.635 8.937 5.214 1.00 0.00 H new ATOM 812 N ARG R 54 20.055 7.551 6.510 1.00 0.00 N ATOM 813 CA ARG R 54 21.093 8.056 7.441 1.00 0.00 C ATOM 814 C ARG R 54 22.079 8.921 6.669 1.00 0.00 C ATOM 815 O ARG R 54 22.153 10.111 6.867 1.00 0.00 O ATOM 816 CB ARG R 54 21.834 6.852 8.041 1.00 0.00 C ATOM 817 CG ARG R 54 21.940 7.028 9.556 1.00 0.00 C ATOM 818 CD ARG R 54 20.549 6.893 10.179 1.00 0.00 C ATOM 819 NE ARG R 54 20.519 5.672 11.031 1.00 0.00 N ATOM 820 CZ ARG R 54 19.376 5.233 11.484 1.00 0.00 C ATOM 821 NH1 ARG R 54 18.406 6.081 11.676 1.00 0.00 N ATOM 822 NH2 ARG R 54 19.243 3.958 11.726 1.00 0.00 N ATOM 0 H ARG R 54 20.121 6.561 6.273 1.00 0.00 H new ATOM 0 HA ARG R 54 20.635 8.648 8.233 1.00 0.00 H new ATOM 0 HB2 ARG R 54 21.303 5.930 7.807 1.00 0.00 H new ATOM 0 HB3 ARG R 54 22.828 6.767 7.603 1.00 0.00 H new ATOM 0 HG2 ARG R 54 22.613 6.279 9.974 1.00 0.00 H new ATOM 0 HG3 ARG R 54 22.363 8.004 9.792 1.00 0.00 H new ATOM 0 HD2 ARG R 54 20.316 7.775 10.776 1.00 0.00 H new ATOM 0 HD3 ARG R 54 19.791 6.827 9.398 1.00 0.00 H new ATOM 0 HE ARG R 54 21.384 5.183 11.259 1.00 0.00 H new ATOM 0 HH11 ARG R 54 18.546 7.071 11.473 1.00 0.00 H new ATOM 0 HH12 ARG R 54 17.506 5.755 12.029 1.00 0.00 H new ATOM 0 HH21 ARG R 54 20.024 3.323 11.561 1.00 0.00 H new ATOM 0 HH22 ARG R 54 18.358 3.596 12.080 1.00 0.00 H new ATOM 836 N VAL R 55 22.809 8.309 5.784 1.00 0.00 N ATOM 837 CA VAL R 55 23.791 9.088 4.990 1.00 0.00 C ATOM 838 C VAL R 55 23.160 10.381 4.465 1.00 0.00 C ATOM 839 O VAL R 55 23.850 11.288 4.054 1.00 0.00 O ATOM 840 CB VAL R 55 24.211 8.234 3.789 1.00 0.00 C ATOM 841 CG1 VAL R 55 25.205 9.019 2.930 1.00 0.00 C ATOM 842 CG2 VAL R 55 24.875 6.951 4.292 1.00 0.00 C ATOM 0 H VAL R 55 22.769 7.311 5.577 1.00 0.00 H new ATOM 0 HA VAL R 55 24.643 9.342 5.620 1.00 0.00 H new ATOM 0 HB VAL R 55 23.334 7.983 3.192 1.00 0.00 H new ATOM 0 HG11 VAL R 55 25.505 8.413 2.075 1.00 0.00 H new ATOM 0 HG12 VAL R 55 24.735 9.937 2.577 1.00 0.00 H new ATOM 0 HG13 VAL R 55 26.084 9.267 3.525 1.00 0.00 H new ATOM 0 HG21 VAL R 55 25.176 6.339 3.441 1.00 0.00 H new ATOM 0 HG22 VAL R 55 25.753 7.204 4.885 1.00 0.00 H new ATOM 0 HG23 VAL R 55 24.169 6.394 4.908 1.00 0.00 H new ATOM 852 N ARG R 56 21.855 10.438 4.501 1.00 0.00 N ATOM 853 CA ARG R 56 21.157 11.656 4.006 1.00 0.00 C ATOM 854 C ARG R 56 21.409 12.882 4.890 1.00 0.00 C ATOM 855 O ARG R 56 21.753 13.933 4.390 1.00 0.00 O ATOM 856 CB ARG R 56 19.651 11.363 3.975 1.00 0.00 C ATOM 857 CG ARG R 56 19.112 11.677 2.580 1.00 0.00 C ATOM 858 CD ARG R 56 19.698 10.679 1.576 1.00 0.00 C ATOM 859 NE ARG R 56 18.593 9.854 1.009 1.00 0.00 N ATOM 860 CZ ARG R 56 18.010 10.233 -0.095 1.00 0.00 C ATOM 861 NH1 ARG R 56 17.134 11.201 -0.046 1.00 0.00 N ATOM 862 NH2 ARG R 56 18.322 9.634 -1.212 1.00 0.00 N ATOM 0 H ARG R 56 21.247 9.697 4.850 1.00 0.00 H new ATOM 0 HA ARG R 56 21.545 11.889 3.014 1.00 0.00 H new ATOM 0 HB2 ARG R 56 19.465 10.318 4.224 1.00 0.00 H new ATOM 0 HB3 ARG R 56 19.135 11.965 4.723 1.00 0.00 H new ATOM 0 HG2 ARG R 56 18.024 11.618 2.576 1.00 0.00 H new ATOM 0 HG3 ARG R 56 19.377 12.695 2.296 1.00 0.00 H new ATOM 0 HD2 ARG R 56 20.219 11.209 0.779 1.00 0.00 H new ATOM 0 HD3 ARG R 56 20.432 10.039 2.066 1.00 0.00 H new ATOM 0 HE ARG R 56 18.295 9.000 1.481 1.00 0.00 H new ATOM 0 HH11 ARG R 56 16.916 11.647 0.845 1.00 0.00 H new ATOM 0 HH12 ARG R 56 16.668 11.511 -0.899 1.00 0.00 H new ATOM 0 HH21 ARG R 56 19.012 8.883 -1.212 1.00 0.00 H new ATOM 0 HH22 ARG R 56 17.876 9.917 -2.084 1.00 0.00 H new ATOM 876 N ILE R 57 21.244 12.743 6.182 1.00 0.00 N ATOM 877 CA ILE R 57 21.481 13.920 7.059 1.00 0.00 C ATOM 878 C ILE R 57 22.938 14.361 6.961 1.00 0.00 C ATOM 879 O ILE R 57 23.247 15.344 6.319 1.00 0.00 O ATOM 880 CB ILE R 57 21.173 13.562 8.516 1.00 0.00 C ATOM 881 CG1 ILE R 57 21.233 12.056 8.737 1.00 0.00 C ATOM 882 CG2 ILE R 57 19.758 14.049 8.853 1.00 0.00 C ATOM 883 CD1 ILE R 57 20.992 11.747 10.214 1.00 0.00 C ATOM 0 H ILE R 57 20.962 11.884 6.655 1.00 0.00 H new ATOM 0 HA ILE R 57 20.828 14.729 6.732 1.00 0.00 H new ATOM 0 HB ILE R 57 21.916 14.039 9.155 1.00 0.00 H new ATOM 0 HG12 ILE R 57 20.483 11.558 8.123 1.00 0.00 H new ATOM 0 HG13 ILE R 57 22.205 11.671 8.428 1.00 0.00 H new ATOM 0 HG21 ILE R 57 19.525 13.801 9.888 1.00 0.00 H new ATOM 0 HG22 ILE R 57 19.703 15.129 8.718 1.00 0.00 H new ATOM 0 HG23 ILE R 57 19.039 13.564 8.193 1.00 0.00 H new ATOM 0 HD11 ILE R 57 21.035 10.669 10.372 1.00 0.00 H new ATOM 0 HD12 ILE R 57 21.759 12.233 10.817 1.00 0.00 H new ATOM 0 HD13 ILE R 57 20.010 12.118 10.508 1.00 0.00 H new ATOM 895 N VAL R 58 23.798 13.622 7.614 1.00 0.00 N ATOM 896 CA VAL R 58 25.260 13.958 7.587 1.00 0.00 C ATOM 897 C VAL R 58 25.681 14.519 6.228 1.00 0.00 C ATOM 898 O VAL R 58 26.369 15.521 6.153 1.00 0.00 O ATOM 899 CB VAL R 58 26.066 12.674 7.850 1.00 0.00 C ATOM 900 CG1 VAL R 58 25.772 12.160 9.263 1.00 0.00 C ATOM 901 CG2 VAL R 58 25.675 11.594 6.835 1.00 0.00 C ATOM 0 H VAL R 58 23.554 12.800 8.166 1.00 0.00 H new ATOM 0 HA VAL R 58 25.451 14.712 8.350 1.00 0.00 H new ATOM 0 HB VAL R 58 27.128 12.899 7.752 1.00 0.00 H new ATOM 0 HG11 VAL R 58 26.344 11.251 9.446 1.00 0.00 H new ATOM 0 HG12 VAL R 58 26.054 12.919 9.992 1.00 0.00 H new ATOM 0 HG13 VAL R 58 24.708 11.944 9.357 1.00 0.00 H new ATOM 0 HG21 VAL R 58 26.250 10.688 7.028 1.00 0.00 H new ATOM 0 HG22 VAL R 58 24.611 11.375 6.928 1.00 0.00 H new ATOM 0 HG23 VAL R 58 25.885 11.949 5.826 1.00 0.00 H new ATOM 911 N GLU R 59 25.254 13.874 5.177 1.00 0.00 N ATOM 912 CA GLU R 59 25.631 14.365 3.826 1.00 0.00 C ATOM 913 C GLU R 59 25.150 15.799 3.610 1.00 0.00 C ATOM 914 O GLU R 59 25.891 16.634 3.135 1.00 0.00 O ATOM 915 CB GLU R 59 24.981 13.455 2.776 1.00 0.00 C ATOM 916 CG GLU R 59 25.200 14.050 1.383 1.00 0.00 C ATOM 917 CD GLU R 59 25.114 12.936 0.337 1.00 0.00 C ATOM 918 OE1 GLU R 59 24.456 11.954 0.644 1.00 0.00 O ATOM 919 OE2 GLU R 59 25.711 13.129 -0.710 1.00 0.00 O ATOM 0 H GLU R 59 24.668 13.039 5.196 1.00 0.00 H new ATOM 0 HA GLU R 59 26.717 14.349 3.735 1.00 0.00 H new ATOM 0 HB2 GLU R 59 25.412 12.455 2.828 1.00 0.00 H new ATOM 0 HB3 GLU R 59 23.914 13.353 2.977 1.00 0.00 H new ATOM 0 HG2 GLU R 59 24.450 14.814 1.179 1.00 0.00 H new ATOM 0 HG3 GLU R 59 26.174 14.538 1.332 1.00 0.00 H new ATOM 926 N GLU R 60 23.926 16.060 3.972 1.00 0.00 N ATOM 927 CA GLU R 60 23.389 17.436 3.788 1.00 0.00 C ATOM 928 C GLU R 60 23.976 18.414 4.807 1.00 0.00 C ATOM 929 O GLU R 60 24.116 19.588 4.528 1.00 0.00 O ATOM 930 CB GLU R 60 21.869 17.378 3.978 1.00 0.00 C ATOM 931 CG GLU R 60 21.239 16.770 2.724 1.00 0.00 C ATOM 932 CD GLU R 60 19.839 16.255 3.061 1.00 0.00 C ATOM 933 OE1 GLU R 60 19.059 17.069 3.528 1.00 0.00 O ATOM 934 OE2 GLU R 60 19.625 15.077 2.831 1.00 0.00 O ATOM 0 H GLU R 60 23.279 15.387 4.384 1.00 0.00 H new ATOM 0 HA GLU R 60 23.658 17.788 2.792 1.00 0.00 H new ATOM 0 HB2 GLU R 60 21.621 16.779 4.854 1.00 0.00 H new ATOM 0 HB3 GLU R 60 21.472 18.378 4.153 1.00 0.00 H new ATOM 0 HG2 GLU R 60 21.183 17.517 1.932 1.00 0.00 H new ATOM 0 HG3 GLU R 60 21.859 15.955 2.350 1.00 0.00 H new ATOM 941 N LEU R 61 24.303 17.917 5.969 1.00 0.00 N ATOM 942 CA LEU R 61 24.879 18.817 7.006 1.00 0.00 C ATOM 943 C LEU R 61 26.293 19.266 6.632 1.00 0.00 C ATOM 944 O LEU R 61 26.785 20.245 7.157 1.00 0.00 O ATOM 945 CB LEU R 61 24.952 18.052 8.335 1.00 0.00 C ATOM 946 CG LEU R 61 23.559 17.973 8.966 1.00 0.00 C ATOM 947 CD1 LEU R 61 23.486 16.724 9.847 1.00 0.00 C ATOM 948 CD2 LEU R 61 23.324 19.209 9.837 1.00 0.00 C ATOM 0 H LEU R 61 24.198 16.940 6.242 1.00 0.00 H new ATOM 0 HA LEU R 61 24.242 19.698 7.088 1.00 0.00 H new ATOM 0 HB2 LEU R 61 25.342 17.048 8.166 1.00 0.00 H new ATOM 0 HB3 LEU R 61 25.642 18.552 9.015 1.00 0.00 H new ATOM 0 HG LEU R 61 22.802 17.927 8.183 1.00 0.00 H new ATOM 0 HD11 LEU R 61 22.498 16.657 10.302 1.00 0.00 H new ATOM 0 HD12 LEU R 61 23.666 15.838 9.238 1.00 0.00 H new ATOM 0 HD13 LEU R 61 24.242 16.786 10.629 1.00 0.00 H new ATOM 0 HD21 LEU R 61 22.333 19.154 10.287 1.00 0.00 H new ATOM 0 HD22 LEU R 61 24.078 19.249 10.623 1.00 0.00 H new ATOM 0 HD23 LEU R 61 23.394 20.106 9.222 1.00 0.00 H new ATOM 1426 N PRO R 93 27.004 19.333 20.286 1.00 0.00 N ATOM 1427 CA PRO R 93 27.057 18.808 18.912 1.00 0.00 C ATOM 1428 C PRO R 93 28.482 18.856 18.376 1.00 0.00 C ATOM 1429 O PRO R 93 28.869 18.051 17.554 1.00 0.00 O ATOM 1430 CB PRO R 93 26.188 19.778 18.096 1.00 0.00 C ATOM 1431 CG PRO R 93 25.890 21.004 18.996 1.00 0.00 C ATOM 1432 CD PRO R 93 26.351 20.652 20.420 1.00 0.00 C ATOM 0 HA PRO R 93 26.718 17.773 18.861 1.00 0.00 H new ATOM 0 HB2 PRO R 93 26.706 20.086 17.188 1.00 0.00 H new ATOM 0 HB3 PRO R 93 25.261 19.295 17.786 1.00 0.00 H new ATOM 0 HG2 PRO R 93 26.415 21.886 18.630 1.00 0.00 H new ATOM 0 HG3 PRO R 93 24.826 21.239 18.984 1.00 0.00 H new ATOM 0 HD2 PRO R 93 27.043 21.399 20.809 1.00 0.00 H new ATOM 0 HD3 PRO R 93 25.508 20.609 21.110 1.00 0.00 H new ATOM 1440 N VAL R 94 29.229 19.814 18.852 1.00 0.00 N ATOM 1441 CA VAL R 94 30.633 19.946 18.395 1.00 0.00 C ATOM 1442 C VAL R 94 31.384 18.635 18.606 1.00 0.00 C ATOM 1443 O VAL R 94 32.382 18.375 17.963 1.00 0.00 O ATOM 1444 CB VAL R 94 31.290 21.063 19.223 1.00 0.00 C ATOM 1445 CG1 VAL R 94 32.801 20.829 19.325 1.00 0.00 C ATOM 1446 CG2 VAL R 94 31.037 22.404 18.532 1.00 0.00 C ATOM 0 H VAL R 94 28.925 20.507 19.536 1.00 0.00 H new ATOM 0 HA VAL R 94 30.663 20.186 17.332 1.00 0.00 H new ATOM 0 HB VAL R 94 30.863 21.066 20.226 1.00 0.00 H new ATOM 0 HG11 VAL R 94 33.254 21.627 19.914 1.00 0.00 H new ATOM 0 HG12 VAL R 94 32.989 19.870 19.808 1.00 0.00 H new ATOM 0 HG13 VAL R 94 33.237 20.823 18.326 1.00 0.00 H new ATOM 0 HG21 VAL R 94 31.499 23.204 19.111 1.00 0.00 H new ATOM 0 HG22 VAL R 94 31.468 22.385 17.531 1.00 0.00 H new ATOM 0 HG23 VAL R 94 29.964 22.580 18.461 1.00 0.00 H new ATOM 1456 N GLU R 95 30.881 17.823 19.496 1.00 0.00 N ATOM 1457 CA GLU R 95 31.559 16.525 19.753 1.00 0.00 C ATOM 1458 C GLU R 95 31.507 15.644 18.506 1.00 0.00 C ATOM 1459 O GLU R 95 32.155 14.620 18.438 1.00 0.00 O ATOM 1460 CB GLU R 95 30.842 15.813 20.909 1.00 0.00 C ATOM 1461 CG GLU R 95 31.345 16.387 22.237 1.00 0.00 C ATOM 1462 CD GLU R 95 30.612 15.710 23.398 1.00 0.00 C ATOM 1463 OE1 GLU R 95 30.473 14.500 23.318 1.00 0.00 O ATOM 1464 OE2 GLU R 95 30.231 16.441 24.298 1.00 0.00 O ATOM 0 H GLU R 95 30.042 18.000 20.048 1.00 0.00 H new ATOM 0 HA GLU R 95 32.602 16.707 20.010 1.00 0.00 H new ATOM 0 HB2 GLU R 95 29.764 15.949 20.824 1.00 0.00 H new ATOM 0 HB3 GLU R 95 31.032 14.741 20.866 1.00 0.00 H new ATOM 0 HG2 GLU R 95 32.419 16.229 22.330 1.00 0.00 H new ATOM 0 HG3 GLU R 95 31.178 17.464 22.266 1.00 0.00 H new ATOM 1471 N LEU R 96 30.724 16.061 17.545 1.00 0.00 N ATOM 1472 CA LEU R 96 30.611 15.269 16.289 1.00 0.00 C ATOM 1473 C LEU R 96 31.597 15.810 15.259 1.00 0.00 C ATOM 1474 O LEU R 96 32.228 15.061 14.534 1.00 0.00 O ATOM 1475 CB LEU R 96 29.183 15.414 15.734 1.00 0.00 C ATOM 1476 CG LEU R 96 28.731 14.102 15.069 1.00 0.00 C ATOM 1477 CD1 LEU R 96 27.231 14.183 14.777 1.00 0.00 C ATOM 1478 CD2 LEU R 96 29.475 13.903 13.744 1.00 0.00 C ATOM 0 H LEU R 96 30.162 16.911 17.577 1.00 0.00 H new ATOM 0 HA LEU R 96 30.831 14.221 16.495 1.00 0.00 H new ATOM 0 HB2 LEU R 96 28.497 15.676 16.540 1.00 0.00 H new ATOM 0 HB3 LEU R 96 29.148 16.227 15.009 1.00 0.00 H new ATOM 0 HG LEU R 96 28.947 13.269 15.738 1.00 0.00 H new ATOM 0 HD11 LEU R 96 26.902 13.257 14.305 1.00 0.00 H new ATOM 0 HD12 LEU R 96 26.686 14.329 15.710 1.00 0.00 H new ATOM 0 HD13 LEU R 96 27.035 15.021 14.108 1.00 0.00 H new ATOM 0 HD21 LEU R 96 29.149 12.972 13.280 1.00 0.00 H new ATOM 0 HD22 LEU R 96 29.258 14.737 13.076 1.00 0.00 H new ATOM 0 HD23 LEU R 96 30.548 13.858 13.932 1.00 0.00 H new ATOM 1490 N ARG R 97 31.711 17.110 15.212 1.00 0.00 N ATOM 1491 CA ARG R 97 32.642 17.715 14.249 1.00 0.00 C ATOM 1492 C ARG R 97 34.025 17.110 14.438 1.00 0.00 C ATOM 1493 O ARG R 97 34.867 17.177 13.566 1.00 0.00 O ATOM 1494 CB ARG R 97 32.699 19.210 14.554 1.00 0.00 C ATOM 1495 CG ARG R 97 31.385 19.861 14.126 1.00 0.00 C ATOM 1496 CD ARG R 97 31.505 21.375 14.300 1.00 0.00 C ATOM 1497 NE ARG R 97 31.457 22.025 12.960 1.00 0.00 N ATOM 1498 CZ ARG R 97 30.301 22.247 12.399 1.00 0.00 C ATOM 1499 NH1 ARG R 97 29.336 21.391 12.588 1.00 0.00 N ATOM 1500 NH2 ARG R 97 30.148 23.321 11.670 1.00 0.00 N ATOM 0 H ARG R 97 31.198 17.767 15.800 1.00 0.00 H new ATOM 0 HA ARG R 97 32.315 17.537 13.225 1.00 0.00 H new ATOM 0 HB2 ARG R 97 32.868 19.370 15.619 1.00 0.00 H new ATOM 0 HB3 ARG R 97 33.535 19.669 14.026 1.00 0.00 H new ATOM 0 HG2 ARG R 97 31.164 19.617 13.087 1.00 0.00 H new ATOM 0 HG3 ARG R 97 30.560 19.476 14.726 1.00 0.00 H new ATOM 0 HD2 ARG R 97 30.695 21.747 14.928 1.00 0.00 H new ATOM 0 HD3 ARG R 97 32.439 21.623 14.805 1.00 0.00 H new ATOM 0 HE ARG R 97 32.320 22.294 12.486 1.00 0.00 H new ATOM 0 HH11 ARG R 97 29.493 20.565 13.166 1.00 0.00 H new ATOM 0 HH12 ARG R 97 28.424 21.547 12.158 1.00 0.00 H new ATOM 0 HH21 ARG R 97 30.926 23.969 11.547 1.00 0.00 H new ATOM 0 HH22 ARG R 97 29.251 23.511 11.224 1.00 0.00 H new ATOM 1514 N GLN R 98 34.225 16.522 15.586 1.00 0.00 N ATOM 1515 CA GLN R 98 35.529 15.902 15.874 1.00 0.00 C ATOM 1516 C GLN R 98 35.969 15.053 14.693 1.00 0.00 C ATOM 1517 O GLN R 98 37.055 15.216 14.173 1.00 0.00 O ATOM 1518 CB GLN R 98 35.336 14.995 17.085 1.00 0.00 C ATOM 1519 CG GLN R 98 35.125 15.850 18.327 1.00 0.00 C ATOM 1520 CD GLN R 98 36.383 15.795 19.198 1.00 0.00 C ATOM 1521 OE1 GLN R 98 37.183 16.710 19.213 1.00 0.00 O ATOM 1522 NE2 GLN R 98 36.600 14.735 19.928 1.00 0.00 N ATOM 0 H GLN R 98 33.534 16.449 16.332 1.00 0.00 H new ATOM 0 HA GLN R 98 36.283 16.666 16.061 1.00 0.00 H new ATOM 0 HB2 GLN R 98 34.478 14.341 16.930 1.00 0.00 H new ATOM 0 HB3 GLN R 98 36.207 14.353 17.215 1.00 0.00 H new ATOM 0 HG2 GLN R 98 34.911 16.880 18.042 1.00 0.00 H new ATOM 0 HG3 GLN R 98 34.263 15.489 18.889 1.00 0.00 H new ATOM 0 HE21 GLN R 98 35.932 13.964 19.919 1.00 0.00 H new ATOM 0 HE22 GLN R 98 37.438 14.677 20.507 1.00 0.00 H new ATOM 1531 N TRP R 99 35.105 14.163 14.287 1.00 0.00 N ATOM 1532 CA TRP R 99 35.454 13.289 13.138 1.00 0.00 C ATOM 1533 C TRP R 99 34.904 13.825 11.820 1.00 0.00 C ATOM 1534 O TRP R 99 35.615 13.981 10.849 1.00 0.00 O ATOM 1535 CB TRP R 99 34.820 11.909 13.315 1.00 0.00 C ATOM 1536 CG TRP R 99 35.173 11.129 12.077 1.00 0.00 C ATOM 1537 CD1 TRP R 99 36.431 10.833 11.702 1.00 0.00 C ATOM 1538 CD2 TRP R 99 34.299 10.565 11.265 1.00 0.00 C ATOM 1539 NE1 TRP R 99 36.258 10.055 10.645 1.00 0.00 N ATOM 1540 CE2 TRP R 99 34.969 9.831 10.309 1.00 0.00 C ATOM 1541 CE3 TRP R 99 32.912 10.580 11.279 1.00 0.00 C ATOM 1542 CZ2 TRP R 99 34.267 9.109 9.398 1.00 0.00 C ATOM 1543 CZ3 TRP R 99 32.219 9.845 10.359 1.00 0.00 C ATOM 1544 CH2 TRP R 99 32.910 9.100 9.427 1.00 0.00 C ATOM 0 H TRP R 99 34.184 14.006 14.697 1.00 0.00 H new ATOM 0 HA TRP R 99 36.543 13.249 13.111 1.00 0.00 H new ATOM 0 HB2 TRP R 99 35.202 11.416 14.209 1.00 0.00 H new ATOM 0 HB3 TRP R 99 33.739 11.988 13.431 1.00 0.00 H new ATOM 0 HD1 TRP R 99 37.358 11.153 12.154 1.00 0.00 H new ATOM 0 HE1 TRP R 99 37.038 9.655 10.124 1.00 0.00 H new ATOM 0 HE3 TRP R 99 32.383 11.169 12.013 1.00 0.00 H new ATOM 0 HZ2 TRP R 99 34.792 8.538 8.646 1.00 0.00 H new ATOM 0 HZ3 TRP R 99 31.139 9.848 10.362 1.00 0.00 H new ATOM 0 HH2 TRP R 99 32.365 8.502 8.711 1.00 0.00 H new ATOM 1555 N LEU R 100 33.629 14.061 11.813 1.00 0.00 N ATOM 1556 CA LEU R 100 32.979 14.582 10.585 1.00 0.00 C ATOM 1557 C LEU R 100 33.820 15.636 9.869 1.00 0.00 C ATOM 1558 O LEU R 100 34.096 15.519 8.692 1.00 0.00 O ATOM 1559 CB LEU R 100 31.662 15.196 11.007 1.00 0.00 C ATOM 1560 CG LEU R 100 30.635 14.958 9.903 1.00 0.00 C ATOM 1561 CD1 LEU R 100 30.004 13.577 10.096 1.00 0.00 C ATOM 1562 CD2 LEU R 100 29.550 16.018 10.002 1.00 0.00 C ATOM 0 H LEU R 100 33.005 13.916 12.607 1.00 0.00 H new ATOM 0 HA LEU R 100 32.848 13.760 9.881 1.00 0.00 H new ATOM 0 HB2 LEU R 100 31.321 14.752 11.942 1.00 0.00 H new ATOM 0 HB3 LEU R 100 31.783 16.264 11.186 1.00 0.00 H new ATOM 0 HG LEU R 100 31.119 15.010 8.928 1.00 0.00 H new ATOM 0 HD11 LEU R 100 29.269 13.400 9.311 1.00 0.00 H new ATOM 0 HD12 LEU R 100 30.779 12.813 10.046 1.00 0.00 H new ATOM 0 HD13 LEU R 100 29.514 13.534 11.068 1.00 0.00 H new ATOM 0 HD21 LEU R 100 28.811 15.857 9.217 1.00 0.00 H new ATOM 0 HD22 LEU R 100 29.065 15.952 10.976 1.00 0.00 H new ATOM 0 HD23 LEU R 100 29.995 17.006 9.884 1.00 0.00 H new ATOM 1574 N GLU R 101 34.206 16.650 10.589 1.00 0.00 N ATOM 1575 CA GLU R 101 35.026 17.728 9.974 1.00 0.00 C ATOM 1576 C GLU R 101 36.241 17.178 9.219 1.00 0.00 C ATOM 1577 O GLU R 101 36.774 17.830 8.344 1.00 0.00 O ATOM 1578 CB GLU R 101 35.531 18.623 11.108 1.00 0.00 C ATOM 1579 CG GLU R 101 35.931 19.980 10.532 1.00 0.00 C ATOM 1580 CD GLU R 101 36.749 20.759 11.567 1.00 0.00 C ATOM 1581 OE1 GLU R 101 37.296 20.104 12.440 1.00 0.00 O ATOM 1582 OE2 GLU R 101 36.785 21.970 11.426 1.00 0.00 O ATOM 0 H GLU R 101 33.989 16.779 11.577 1.00 0.00 H new ATOM 0 HA GLU R 101 34.407 18.268 9.257 1.00 0.00 H new ATOM 0 HB2 GLU R 101 34.754 18.749 11.862 1.00 0.00 H new ATOM 0 HB3 GLU R 101 36.384 18.158 11.603 1.00 0.00 H new ATOM 0 HG2 GLU R 101 36.515 19.842 9.622 1.00 0.00 H new ATOM 0 HG3 GLU R 101 35.041 20.546 10.257 1.00 0.00 H new ATOM 1589 N GLU R 102 36.656 15.991 9.568 1.00 0.00 N ATOM 1590 CA GLU R 102 37.835 15.396 8.877 1.00 0.00 C ATOM 1591 C GLU R 102 37.461 14.534 7.667 1.00 0.00 C ATOM 1592 O GLU R 102 38.241 14.409 6.745 1.00 0.00 O ATOM 1593 CB GLU R 102 38.580 14.519 9.893 1.00 0.00 C ATOM 1594 CG GLU R 102 39.221 15.428 10.942 1.00 0.00 C ATOM 1595 CD GLU R 102 40.723 15.534 10.671 1.00 0.00 C ATOM 1596 OE1 GLU R 102 41.369 14.506 10.786 1.00 0.00 O ATOM 1597 OE2 GLU R 102 41.140 16.640 10.364 1.00 0.00 O ATOM 0 H GLU R 102 36.235 15.412 10.294 1.00 0.00 H new ATOM 0 HA GLU R 102 38.448 16.216 8.503 1.00 0.00 H new ATOM 0 HB2 GLU R 102 37.891 13.821 10.368 1.00 0.00 H new ATOM 0 HB3 GLU R 102 39.343 13.923 9.392 1.00 0.00 H new ATOM 0 HG2 GLU R 102 38.764 16.417 10.911 1.00 0.00 H new ATOM 0 HG3 GLU R 102 39.048 15.028 11.941 1.00 0.00 H new ATOM 1604 N VAL R 103 36.286 13.960 7.675 1.00 0.00 N ATOM 1605 CA VAL R 103 35.898 13.110 6.504 1.00 0.00 C ATOM 1606 C VAL R 103 35.135 13.886 5.429 1.00 0.00 C ATOM 1607 O VAL R 103 35.386 13.715 4.252 1.00 0.00 O ATOM 1608 CB VAL R 103 35.003 11.968 7.005 1.00 0.00 C ATOM 1609 CG1 VAL R 103 34.079 12.496 8.094 1.00 0.00 C ATOM 1610 CG2 VAL R 103 34.146 11.433 5.852 1.00 0.00 C ATOM 0 H VAL R 103 35.593 14.037 8.419 1.00 0.00 H new ATOM 0 HA VAL R 103 36.818 12.740 6.051 1.00 0.00 H new ATOM 0 HB VAL R 103 35.631 11.168 7.397 1.00 0.00 H new ATOM 0 HG11 VAL R 103 33.441 11.688 8.453 1.00 0.00 H new ATOM 0 HG12 VAL R 103 34.675 12.883 8.921 1.00 0.00 H new ATOM 0 HG13 VAL R 103 33.459 13.295 7.689 1.00 0.00 H new ATOM 0 HG21 VAL R 103 33.513 10.623 6.214 1.00 0.00 H new ATOM 0 HG22 VAL R 103 33.520 12.235 5.461 1.00 0.00 H new ATOM 0 HG23 VAL R 103 34.795 11.060 5.059 1.00 0.00 H new ATOM 1620 N LEU R 104 34.223 14.723 5.837 1.00 0.00 N ATOM 1621 CA LEU R 104 33.450 15.495 4.826 1.00 0.00 C ATOM 1622 C LEU R 104 34.212 16.720 4.316 1.00 0.00 C ATOM 1623 O LEU R 104 34.335 16.915 3.123 1.00 0.00 O ATOM 1624 CB LEU R 104 32.139 15.944 5.479 1.00 0.00 C ATOM 1625 CG LEU R 104 31.000 15.031 4.995 1.00 0.00 C ATOM 1626 CD1 LEU R 104 29.732 15.336 5.796 1.00 0.00 C ATOM 1627 CD2 LEU R 104 30.728 15.276 3.502 1.00 0.00 C ATOM 0 H LEU R 104 33.982 14.904 6.811 1.00 0.00 H new ATOM 0 HA LEU R 104 33.270 14.853 3.964 1.00 0.00 H new ATOM 0 HB2 LEU R 104 32.224 15.897 6.565 1.00 0.00 H new ATOM 0 HB3 LEU R 104 31.926 16.981 5.221 1.00 0.00 H new ATOM 0 HG LEU R 104 31.289 13.990 5.141 1.00 0.00 H new ATOM 0 HD11 LEU R 104 28.922 14.690 5.455 1.00 0.00 H new ATOM 0 HD12 LEU R 104 29.918 15.156 6.855 1.00 0.00 H new ATOM 0 HD13 LEU R 104 29.451 16.379 5.649 1.00 0.00 H new ATOM 0 HD21 LEU R 104 29.920 14.625 3.168 1.00 0.00 H new ATOM 0 HD22 LEU R 104 30.442 16.317 3.350 1.00 0.00 H new ATOM 0 HD23 LEU R 104 31.629 15.060 2.928 1.00 0.00 H new ATOM 1639 N LEU R 105 34.706 17.528 5.215 1.00 0.00 N ATOM 1640 CA LEU R 105 35.454 18.732 4.757 1.00 0.00 C ATOM 1641 C LEU R 105 36.757 18.323 4.072 1.00 0.00 C ATOM 1642 O LEU R 105 37.475 19.150 3.548 1.00 0.00 O ATOM 1643 CB LEU R 105 35.790 19.605 5.985 1.00 0.00 C ATOM 1644 CG LEU R 105 35.172 21.015 5.863 1.00 0.00 C ATOM 1645 CD1 LEU R 105 35.544 21.655 4.516 1.00 0.00 C ATOM 1646 CD2 LEU R 105 33.645 20.927 6.000 1.00 0.00 C ATOM 0 H LEU R 105 34.627 17.411 6.225 1.00 0.00 H new ATOM 0 HA LEU R 105 34.838 19.285 4.048 1.00 0.00 H new ATOM 0 HB2 LEU R 105 35.420 19.121 6.889 1.00 0.00 H new ATOM 0 HB3 LEU R 105 36.872 19.688 6.088 1.00 0.00 H new ATOM 0 HG LEU R 105 35.570 21.640 6.662 1.00 0.00 H new ATOM 0 HD11 LEU R 105 35.099 22.648 4.450 1.00 0.00 H new ATOM 0 HD12 LEU R 105 36.628 21.737 4.439 1.00 0.00 H new ATOM 0 HD13 LEU R 105 35.169 21.034 3.702 1.00 0.00 H new ATOM 0 HD21 LEU R 105 33.214 21.924 5.913 1.00 0.00 H new ATOM 0 HD22 LEU R 105 33.245 20.289 5.212 1.00 0.00 H new ATOM 0 HD23 LEU R 105 33.391 20.505 6.972 1.00 0.00 H new ATOM 1871 N HIS S 16 23.125 0.839 -4.829 1.00 0.00 N ATOM 1872 CA HIS S 16 24.393 0.367 -4.215 1.00 0.00 C ATOM 1873 C HIS S 16 25.533 1.343 -4.494 1.00 0.00 C ATOM 1874 O HIS S 16 26.575 0.959 -4.989 1.00 0.00 O ATOM 1875 CB HIS S 16 24.738 -1.002 -4.810 1.00 0.00 C ATOM 1876 CG HIS S 16 23.836 -2.054 -4.169 1.00 0.00 C ATOM 1877 ND1 HIS S 16 22.858 -1.798 -3.406 1.00 0.00 N ATOM 1878 CD2 HIS S 16 23.865 -3.432 -4.263 1.00 0.00 C ATOM 1879 CE1 HIS S 16 22.288 -2.877 -3.027 1.00 0.00 C ATOM 1880 NE2 HIS S 16 22.871 -3.955 -3.529 1.00 0.00 N ATOM 0 HA HIS S 16 24.263 0.297 -3.135 1.00 0.00 H new ATOM 0 HB2 HIS S 16 24.597 -0.991 -5.891 1.00 0.00 H new ATOM 0 HB3 HIS S 16 25.786 -1.240 -4.628 1.00 0.00 H new ATOM 0 HD2 HIS S 16 24.579 -4.002 -4.839 1.00 0.00 H new ATOM 0 HE1 HIS S 16 21.429 -2.906 -2.372 1.00 0.00 H new ATOM 0 HE2 HIS S 16 22.626 -4.936 -3.392 1.00 0.00 H new ATOM 1888 N GLN S 17 25.302 2.587 -4.168 1.00 0.00 N ATOM 1889 CA GLN S 17 26.342 3.628 -4.395 1.00 0.00 C ATOM 1890 C GLN S 17 26.829 4.176 -3.060 1.00 0.00 C ATOM 1891 O GLN S 17 28.013 4.328 -2.839 1.00 0.00 O ATOM 1892 CB GLN S 17 25.722 4.780 -5.198 1.00 0.00 C ATOM 1893 CG GLN S 17 24.665 4.228 -6.158 1.00 0.00 C ATOM 1894 CD GLN S 17 24.136 5.366 -7.033 1.00 0.00 C ATOM 1895 OE1 GLN S 17 24.729 5.725 -8.031 1.00 0.00 O ATOM 1896 NE2 GLN S 17 23.025 5.959 -6.695 1.00 0.00 N ATOM 0 H GLN S 17 24.434 2.926 -3.753 1.00 0.00 H new ATOM 0 HA GLN S 17 27.180 3.188 -4.936 1.00 0.00 H new ATOM 0 HB2 GLN S 17 25.270 5.506 -4.522 1.00 0.00 H new ATOM 0 HB3 GLN S 17 26.497 5.305 -5.757 1.00 0.00 H new ATOM 0 HG2 GLN S 17 25.096 3.445 -6.781 1.00 0.00 H new ATOM 0 HG3 GLN S 17 23.848 3.775 -5.597 1.00 0.00 H new ATOM 0 HE21 GLN S 17 22.523 5.662 -5.858 1.00 0.00 H new ATOM 0 HE22 GLN S 17 22.658 6.720 -7.267 1.00 0.00 H new ATOM 1905 N GLU S 18 25.900 4.465 -2.188 1.00 0.00 N ATOM 1906 CA GLU S 18 26.286 5.005 -0.862 1.00 0.00 C ATOM 1907 C GLU S 18 26.553 3.864 0.121 1.00 0.00 C ATOM 1908 O GLU S 18 27.211 4.044 1.127 1.00 0.00 O ATOM 1909 CB GLU S 18 25.129 5.870 -0.342 1.00 0.00 C ATOM 1910 CG GLU S 18 24.522 6.652 -1.515 1.00 0.00 C ATOM 1911 CD GLU S 18 23.938 7.974 -1.006 1.00 0.00 C ATOM 1912 OE1 GLU S 18 24.722 8.903 -0.892 1.00 0.00 O ATOM 1913 OE2 GLU S 18 22.741 7.981 -0.768 1.00 0.00 O ATOM 0 H GLU S 18 24.898 4.350 -2.339 1.00 0.00 H new ATOM 0 HA GLU S 18 27.196 5.598 -0.956 1.00 0.00 H new ATOM 0 HB2 GLU S 18 24.370 5.242 0.125 1.00 0.00 H new ATOM 0 HB3 GLU S 18 25.488 6.558 0.423 1.00 0.00 H new ATOM 0 HG2 GLU S 18 25.285 6.846 -2.269 1.00 0.00 H new ATOM 0 HG3 GLU S 18 23.743 6.060 -1.995 1.00 0.00 H new ATOM 1920 N TRP S 19 26.039 2.706 -0.200 1.00 0.00 N ATOM 1921 CA TRP S 19 26.242 1.531 0.691 1.00 0.00 C ATOM 1922 C TRP S 19 27.729 1.167 0.793 1.00 0.00 C ATOM 1923 O TRP S 19 28.150 0.540 1.744 1.00 0.00 O ATOM 1924 CB TRP S 19 25.476 0.343 0.098 1.00 0.00 C ATOM 1925 CG TRP S 19 25.752 -0.903 0.940 1.00 0.00 C ATOM 1926 CD1 TRP S 19 26.662 -1.844 0.635 1.00 0.00 C ATOM 1927 CD2 TRP S 19 25.160 -1.200 2.099 1.00 0.00 C ATOM 1928 NE1 TRP S 19 26.590 -2.694 1.654 1.00 0.00 N ATOM 1929 CE2 TRP S 19 25.685 -2.371 2.606 1.00 0.00 C ATOM 1930 CE3 TRP S 19 24.147 -0.556 2.789 1.00 0.00 C ATOM 1931 CZ2 TRP S 19 25.215 -2.894 3.786 1.00 0.00 C ATOM 1932 CZ3 TRP S 19 23.670 -1.085 3.971 1.00 0.00 C ATOM 1933 CH2 TRP S 19 24.206 -2.254 4.470 1.00 0.00 C ATOM 0 H TRP S 19 25.489 2.525 -1.040 1.00 0.00 H new ATOM 0 HA TRP S 19 25.880 1.773 1.690 1.00 0.00 H new ATOM 0 HB2 TRP S 19 24.407 0.556 0.081 1.00 0.00 H new ATOM 0 HB3 TRP S 19 25.784 0.175 -0.934 1.00 0.00 H new ATOM 0 HD1 TRP S 19 27.301 -1.897 -0.234 1.00 0.00 H new ATOM 0 HE1 TRP S 19 27.174 -3.528 1.714 1.00 0.00 H new ATOM 0 HE3 TRP S 19 23.730 0.362 2.402 1.00 0.00 H new ATOM 0 HZ2 TRP S 19 25.637 -3.808 4.177 1.00 0.00 H new ATOM 0 HZ3 TRP S 19 22.877 -0.584 4.506 1.00 0.00 H new ATOM 0 HH2 TRP S 19 23.835 -2.667 5.396 1.00 0.00 H new ATOM 1944 N LEU S 20 28.496 1.562 -0.195 1.00 0.00 N ATOM 1945 CA LEU S 20 29.953 1.252 -0.175 1.00 0.00 C ATOM 1946 C LEU S 20 30.804 2.479 0.146 1.00 0.00 C ATOM 1947 O LEU S 20 31.522 2.509 1.126 1.00 0.00 O ATOM 1948 CB LEU S 20 30.350 0.783 -1.579 1.00 0.00 C ATOM 1949 CG LEU S 20 29.894 -0.653 -1.774 1.00 0.00 C ATOM 1950 CD1 LEU S 20 29.590 -0.889 -3.255 1.00 0.00 C ATOM 1951 CD2 LEU S 20 31.016 -1.582 -1.329 1.00 0.00 C ATOM 0 H LEU S 20 28.174 2.084 -1.010 1.00 0.00 H new ATOM 0 HA LEU S 20 30.126 0.498 0.593 1.00 0.00 H new ATOM 0 HB2 LEU S 20 29.896 1.427 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU S 20 31.430 0.855 -1.707 1.00 0.00 H new ATOM 0 HG LEU S 20 28.996 -0.847 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU S 20 29.262 -1.918 -3.400 1.00 0.00 H new ATOM 0 HD12 LEU S 20 28.802 -0.209 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU S 20 30.489 -0.708 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU S 20 30.705 -2.618 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU S 20 31.906 -1.390 -1.928 1.00 0.00 H new ATOM 0 HD23 LEU S 20 31.241 -1.403 -0.278 1.00 0.00 H new ATOM 1963 N ARG S 21 30.698 3.466 -0.696 1.00 0.00 N ATOM 1964 CA ARG S 21 31.481 4.714 -0.495 1.00 0.00 C ATOM 1965 C ARG S 21 31.213 5.399 0.850 1.00 0.00 C ATOM 1966 O ARG S 21 32.134 5.864 1.489 1.00 0.00 O ATOM 1967 CB ARG S 21 31.114 5.687 -1.625 1.00 0.00 C ATOM 1968 CG ARG S 21 31.350 5.007 -2.981 1.00 0.00 C ATOM 1969 CD ARG S 21 32.505 5.704 -3.702 1.00 0.00 C ATOM 1970 NE ARG S 21 32.084 7.082 -4.082 1.00 0.00 N ATOM 1971 CZ ARG S 21 32.039 7.415 -5.343 1.00 0.00 C ATOM 1972 NH1 ARG S 21 33.159 7.586 -5.991 1.00 0.00 N ATOM 1973 NH2 ARG S 21 30.875 7.567 -5.914 1.00 0.00 N ATOM 0 H ARG S 21 30.098 3.462 -1.521 1.00 0.00 H new ATOM 0 HA ARG S 21 32.537 4.443 -0.502 1.00 0.00 H new ATOM 0 HB2 ARG S 21 30.071 5.990 -1.534 1.00 0.00 H new ATOM 0 HB3 ARG S 21 31.716 6.592 -1.550 1.00 0.00 H new ATOM 0 HG2 ARG S 21 31.581 3.952 -2.836 1.00 0.00 H new ATOM 0 HG3 ARG S 21 30.446 5.055 -3.587 1.00 0.00 H new ATOM 0 HD2 ARG S 21 33.382 5.744 -3.056 1.00 0.00 H new ATOM 0 HD3 ARG S 21 32.789 5.139 -4.590 1.00 0.00 H new ATOM 0 HE ARG S 21 31.833 7.760 -3.362 1.00 0.00 H new ATOM 0 HH11 ARG S 21 34.050 7.459 -5.511 1.00 0.00 H new ATOM 0 HH12 ARG S 21 33.143 7.846 -6.977 1.00 0.00 H new ATOM 0 HH21 ARG S 21 30.020 7.426 -5.375 1.00 0.00 H new ATOM 0 HH22 ARG S 21 30.820 7.827 -6.899 1.00 0.00 H new ATOM 1987 N PHE S 22 29.977 5.459 1.264 1.00 0.00 N ATOM 1988 CA PHE S 22 29.696 6.127 2.572 1.00 0.00 C ATOM 1989 C PHE S 22 29.893 5.191 3.767 1.00 0.00 C ATOM 1990 O PHE S 22 30.460 5.580 4.776 1.00 0.00 O ATOM 1991 CB PHE S 22 28.251 6.632 2.563 1.00 0.00 C ATOM 1992 CG PHE S 22 28.237 8.079 3.059 1.00 0.00 C ATOM 1993 CD1 PHE S 22 28.128 8.357 4.409 1.00 0.00 C ATOM 1994 CD2 PHE S 22 28.357 9.127 2.166 1.00 0.00 C ATOM 1995 CE1 PHE S 22 28.136 9.662 4.858 1.00 0.00 C ATOM 1996 CE2 PHE S 22 28.364 10.432 2.614 1.00 0.00 C ATOM 1997 CZ PHE S 22 28.255 10.701 3.960 1.00 0.00 C ATOM 0 H PHE S 22 29.166 5.086 0.770 1.00 0.00 H new ATOM 0 HA PHE S 22 30.404 6.948 2.685 1.00 0.00 H new ATOM 0 HB2 PHE S 22 27.836 6.573 1.557 1.00 0.00 H new ATOM 0 HB3 PHE S 22 27.628 6.007 3.202 1.00 0.00 H new ATOM 0 HD1 PHE S 22 28.036 7.547 5.117 1.00 0.00 H new ATOM 0 HD2 PHE S 22 28.446 8.923 1.109 1.00 0.00 H new ATOM 0 HE1 PHE S 22 28.049 9.869 5.914 1.00 0.00 H new ATOM 0 HE2 PHE S 22 28.455 11.244 1.908 1.00 0.00 H new ATOM 0 HZ PHE S 22 28.263 11.722 4.311 1.00 0.00 H new ATOM 2007 N VAL S 23 29.407 3.989 3.663 1.00 0.00 N ATOM 2008 CA VAL S 23 29.585 3.061 4.806 1.00 0.00 C ATOM 2009 C VAL S 23 31.071 2.943 5.127 1.00 0.00 C ATOM 2010 O VAL S 23 31.452 2.739 6.263 1.00 0.00 O ATOM 2011 CB VAL S 23 29.020 1.691 4.423 1.00 0.00 C ATOM 2012 CG1 VAL S 23 29.085 0.751 5.629 1.00 0.00 C ATOM 2013 CG2 VAL S 23 27.558 1.869 4.013 1.00 0.00 C ATOM 0 H VAL S 23 28.906 3.616 2.856 1.00 0.00 H new ATOM 0 HA VAL S 23 29.059 3.437 5.684 1.00 0.00 H new ATOM 0 HB VAL S 23 29.600 1.268 3.603 1.00 0.00 H new ATOM 0 HG11 VAL S 23 28.682 -0.223 5.353 1.00 0.00 H new ATOM 0 HG12 VAL S 23 30.121 0.638 5.947 1.00 0.00 H new ATOM 0 HG13 VAL S 23 28.498 1.168 6.447 1.00 0.00 H new ATOM 0 HG21 VAL S 23 27.137 0.902 3.736 1.00 0.00 H new ATOM 0 HG22 VAL S 23 26.994 2.284 4.848 1.00 0.00 H new ATOM 0 HG23 VAL S 23 27.499 2.547 3.162 1.00 0.00 H new ATOM 2023 N ASP S 24 31.883 3.076 4.111 1.00 0.00 N ATOM 2024 CA ASP S 24 33.348 2.981 4.330 1.00 0.00 C ATOM 2025 C ASP S 24 33.783 4.068 5.304 1.00 0.00 C ATOM 2026 O ASP S 24 34.818 3.973 5.934 1.00 0.00 O ATOM 2027 CB ASP S 24 34.053 3.197 2.985 1.00 0.00 C ATOM 2028 CG ASP S 24 35.545 3.441 3.221 1.00 0.00 C ATOM 2029 OD1 ASP S 24 36.195 2.487 3.614 1.00 0.00 O ATOM 2030 OD2 ASP S 24 35.952 4.569 2.995 1.00 0.00 O ATOM 0 H ASP S 24 31.594 3.245 3.148 1.00 0.00 H new ATOM 0 HA ASP S 24 33.605 2.004 4.739 1.00 0.00 H new ATOM 0 HB2 ASP S 24 33.913 2.325 2.346 1.00 0.00 H new ATOM 0 HB3 ASP S 24 33.613 4.048 2.465 1.00 0.00 H new ATOM 2035 N LEU S 25 32.976 5.092 5.391 1.00 0.00 N ATOM 2036 CA LEU S 25 33.295 6.213 6.311 1.00 0.00 C ATOM 2037 C LEU S 25 32.850 5.852 7.724 1.00 0.00 C ATOM 2038 O LEU S 25 33.484 6.204 8.701 1.00 0.00 O ATOM 2039 CB LEU S 25 32.526 7.459 5.858 1.00 0.00 C ATOM 2040 CG LEU S 25 32.749 7.674 4.359 1.00 0.00 C ATOM 2041 CD1 LEU S 25 31.978 8.915 3.911 1.00 0.00 C ATOM 2042 CD2 LEU S 25 34.240 7.885 4.089 1.00 0.00 C ATOM 0 H LEU S 25 32.110 5.197 4.863 1.00 0.00 H new ATOM 0 HA LEU S 25 34.368 6.403 6.299 1.00 0.00 H new ATOM 0 HB2 LEU S 25 31.463 7.340 6.066 1.00 0.00 H new ATOM 0 HB3 LEU S 25 32.864 8.332 6.416 1.00 0.00 H new ATOM 0 HG LEU S 25 32.399 6.800 3.809 1.00 0.00 H new ATOM 0 HD11 LEU S 25 32.133 9.074 2.844 1.00 0.00 H new ATOM 0 HD12 LEU S 25 30.915 8.773 4.106 1.00 0.00 H new ATOM 0 HD13 LEU S 25 32.336 9.784 4.463 1.00 0.00 H new ATOM 0 HD21 LEU S 25 34.398 8.038 3.021 1.00 0.00 H new ATOM 0 HD22 LEU S 25 34.589 8.761 4.637 1.00 0.00 H new ATOM 0 HD23 LEU S 25 34.797 7.007 4.416 1.00 0.00 H new ATOM 2054 N LEU S 26 31.745 5.168 7.814 1.00 0.00 N ATOM 2055 CA LEU S 26 31.258 4.780 9.162 1.00 0.00 C ATOM 2056 C LEU S 26 32.372 4.038 9.901 1.00 0.00 C ATOM 2057 O LEU S 26 32.619 4.272 11.072 1.00 0.00 O ATOM 2058 CB LEU S 26 30.054 3.839 8.990 1.00 0.00 C ATOM 2059 CG LEU S 26 29.632 3.270 10.353 1.00 0.00 C ATOM 2060 CD1 LEU S 26 29.394 4.418 11.336 1.00 0.00 C ATOM 2061 CD2 LEU S 26 28.333 2.481 10.184 1.00 0.00 C ATOM 0 H LEU S 26 31.169 4.866 7.028 1.00 0.00 H new ATOM 0 HA LEU S 26 30.968 5.664 9.729 1.00 0.00 H new ATOM 0 HB2 LEU S 26 29.222 4.379 8.539 1.00 0.00 H new ATOM 0 HB3 LEU S 26 30.312 3.026 8.311 1.00 0.00 H new ATOM 0 HG LEU S 26 30.418 2.619 10.735 1.00 0.00 H new ATOM 0 HD11 LEU S 26 29.095 4.013 12.303 1.00 0.00 H new ATOM 0 HD12 LEU S 26 30.312 4.994 11.452 1.00 0.00 H new ATOM 0 HD13 LEU S 26 28.605 5.066 10.954 1.00 0.00 H new ATOM 0 HD21 LEU S 26 28.027 2.074 11.148 1.00 0.00 H new ATOM 0 HD22 LEU S 26 27.553 3.141 9.805 1.00 0.00 H new ATOM 0 HD23 LEU S 26 28.492 1.665 9.479 1.00 0.00 H new ATOM 2073 N LYS S 27 33.030 3.157 9.191 1.00 0.00 N ATOM 2074 CA LYS S 27 34.127 2.386 9.812 1.00 0.00 C ATOM 2075 C LYS S 27 35.284 3.307 10.197 1.00 0.00 C ATOM 2076 O LYS S 27 36.074 2.981 11.060 1.00 0.00 O ATOM 2077 CB LYS S 27 34.572 1.312 8.794 1.00 0.00 C ATOM 2078 CG LYS S 27 36.032 1.503 8.376 1.00 0.00 C ATOM 2079 CD LYS S 27 36.361 0.489 7.275 1.00 0.00 C ATOM 2080 CE LYS S 27 37.881 0.371 7.119 1.00 0.00 C ATOM 2081 NZ LYS S 27 38.227 -0.784 6.244 1.00 0.00 N ATOM 0 H LYS S 27 32.849 2.945 8.210 1.00 0.00 H new ATOM 0 HA LYS S 27 33.790 1.908 10.732 1.00 0.00 H new ATOM 0 HB2 LYS S 27 34.444 0.321 9.230 1.00 0.00 H new ATOM 0 HB3 LYS S 27 33.932 1.357 7.913 1.00 0.00 H new ATOM 0 HG2 LYS S 27 36.193 2.519 8.015 1.00 0.00 H new ATOM 0 HG3 LYS S 27 36.692 1.360 9.231 1.00 0.00 H new ATOM 0 HD2 LYS S 27 35.935 -0.483 7.523 1.00 0.00 H new ATOM 0 HD3 LYS S 27 35.912 0.803 6.332 1.00 0.00 H new ATOM 0 HE2 LYS S 27 38.281 1.291 6.693 1.00 0.00 H new ATOM 0 HE3 LYS S 27 38.344 0.245 8.098 1.00 0.00 H new ATOM 0 HZ1 LYS S 27 38.697 -1.519 6.810 1.00 0.00 H new ATOM 0 HZ2 LYS S 27 37.359 -1.173 5.823 1.00 0.00 H new ATOM 0 HZ3 LYS S 27 38.867 -0.467 5.488 1.00 0.00 H new ATOM 2095 N ASN S 28 35.368 4.447 9.555 1.00 0.00 N ATOM 2096 CA ASN S 28 36.477 5.378 9.900 1.00 0.00 C ATOM 2097 C ASN S 28 36.297 5.908 11.312 1.00 0.00 C ATOM 2098 O ASN S 28 37.153 5.745 12.158 1.00 0.00 O ATOM 2099 CB ASN S 28 36.473 6.581 8.959 1.00 0.00 C ATOM 2100 CG ASN S 28 37.825 6.677 8.250 1.00 0.00 C ATOM 2101 OD1 ASN S 28 38.504 7.683 8.317 1.00 0.00 O ATOM 2102 ND2 ASN S 28 38.253 5.658 7.561 1.00 0.00 N ATOM 0 H ASN S 28 34.731 4.765 8.824 1.00 0.00 H new ATOM 0 HA ASN S 28 37.413 4.826 9.812 1.00 0.00 H new ATOM 0 HB2 ASN S 28 35.672 6.481 8.226 1.00 0.00 H new ATOM 0 HB3 ASN S 28 36.279 7.495 9.520 1.00 0.00 H new ATOM 0 HD21 ASN S 28 39.152 5.708 7.082 1.00 0.00 H new ATOM 0 HD22 ASN S 28 37.689 4.810 7.500 1.00 0.00 H new ATOM 2109 N ALA S 29 35.177 6.532 11.534 1.00 0.00 N ATOM 2110 CA ALA S 29 34.914 7.087 12.884 1.00 0.00 C ATOM 2111 C ALA S 29 35.122 6.018 13.947 1.00 0.00 C ATOM 2112 O ALA S 29 35.729 6.272 14.967 1.00 0.00 O ATOM 2113 CB ALA S 29 33.462 7.549 12.938 1.00 0.00 C ATOM 0 H ALA S 29 34.439 6.680 10.845 1.00 0.00 H new ATOM 0 HA ALA S 29 35.597 7.915 13.073 1.00 0.00 H new ATOM 0 HB1 ALA S 29 33.248 7.961 13.924 1.00 0.00 H new ATOM 0 HB2 ALA S 29 33.295 8.315 12.181 1.00 0.00 H new ATOM 0 HB3 ALA S 29 32.803 6.702 12.748 1.00 0.00 H new ATOM 2119 N TYR S 30 34.610 4.843 13.692 1.00 0.00 N ATOM 2120 CA TYR S 30 34.781 3.760 14.691 1.00 0.00 C ATOM 2121 C TYR S 30 36.216 3.719 15.196 1.00 0.00 C ATOM 2122 O TYR S 30 36.510 4.293 16.225 1.00 0.00 O ATOM 2123 CB TYR S 30 34.473 2.401 14.039 1.00 0.00 C ATOM 2124 CG TYR S 30 33.088 1.909 14.472 1.00 0.00 C ATOM 2125 CD1 TYR S 30 32.820 1.648 15.800 1.00 0.00 C ATOM 2126 CD2 TYR S 30 32.099 1.681 13.535 1.00 0.00 C ATOM 2127 CE1 TYR S 30 31.586 1.163 16.182 1.00 0.00 C ATOM 2128 CE2 TYR S 30 30.868 1.194 13.917 1.00 0.00 C ATOM 2129 CZ TYR S 30 30.600 0.932 15.243 1.00 0.00 C ATOM 2130 OH TYR S 30 29.367 0.448 15.627 1.00 0.00 O ATOM 0 H TYR S 30 34.091 4.593 12.850 1.00 0.00 H new ATOM 0 HA TYR S 30 34.101 3.955 15.520 1.00 0.00 H new ATOM 0 HB2 TYR S 30 34.511 2.493 12.954 1.00 0.00 H new ATOM 0 HB3 TYR S 30 35.232 1.672 14.324 1.00 0.00 H new ATOM 0 HD1 TYR S 30 33.581 1.824 16.546 1.00 0.00 H new ATOM 0 HD2 TYR S 30 32.293 1.887 12.493 1.00 0.00 H new ATOM 0 HE1 TYR S 30 31.389 0.962 17.225 1.00 0.00 H new ATOM 0 HE2 TYR S 30 30.107 1.016 13.171 1.00 0.00 H new ATOM 0 HH TYR S 30 28.795 0.346 14.838 1.00 0.00 H new ATOM 2140 N GLN S 31 37.071 3.131 14.377 1.00 0.00 N ATOM 2141 CA GLN S 31 38.530 2.979 14.695 1.00 0.00 C ATOM 2142 C GLN S 31 38.987 3.883 15.828 1.00 0.00 C ATOM 2143 O GLN S 31 39.290 3.428 16.913 1.00 0.00 O ATOM 2144 CB GLN S 31 39.326 3.325 13.430 1.00 0.00 C ATOM 2145 CG GLN S 31 39.727 2.031 12.712 1.00 0.00 C ATOM 2146 CD GLN S 31 40.563 2.376 11.478 1.00 0.00 C ATOM 2147 OE1 GLN S 31 40.193 2.076 10.361 1.00 0.00 O ATOM 2148 NE2 GLN S 31 41.695 3.005 11.635 1.00 0.00 N ATOM 0 H GLN S 31 36.803 2.740 13.474 1.00 0.00 H new ATOM 0 HA GLN S 31 38.700 1.952 15.019 1.00 0.00 H new ATOM 0 HB2 GLN S 31 38.726 3.950 12.769 1.00 0.00 H new ATOM 0 HB3 GLN S 31 40.215 3.899 13.692 1.00 0.00 H new ATOM 0 HG2 GLN S 31 40.297 1.390 13.384 1.00 0.00 H new ATOM 0 HG3 GLN S 31 38.837 1.474 12.419 1.00 0.00 H new ATOM 0 HE21 GLN S 31 42.011 3.260 12.571 1.00 0.00 H new ATOM 0 HE22 GLN S 31 42.264 3.242 10.822 1.00 0.00 H new ATOM 2157 N ASN S 32 39.040 5.140 15.546 1.00 0.00 N ATOM 2158 CA ASN S 32 39.471 6.107 16.571 1.00 0.00 C ATOM 2159 C ASN S 32 38.360 6.333 17.575 1.00 0.00 C ATOM 2160 O ASN S 32 38.221 7.415 18.107 1.00 0.00 O ATOM 2161 CB ASN S 32 39.759 7.423 15.884 1.00 0.00 C ATOM 2162 CG ASN S 32 40.823 7.216 14.805 1.00 0.00 C ATOM 2163 OD1 ASN S 32 41.272 8.150 14.173 1.00 0.00 O ATOM 2164 ND2 ASN S 32 41.252 6.007 14.561 1.00 0.00 N ATOM 0 H ASN S 32 38.801 5.544 14.641 1.00 0.00 H new ATOM 0 HA ASN S 32 40.353 5.724 17.085 1.00 0.00 H new ATOM 0 HB2 ASN S 32 38.847 7.819 15.438 1.00 0.00 H new ATOM 0 HB3 ASN S 32 40.103 8.157 16.612 1.00 0.00 H new ATOM 0 HD21 ASN S 32 41.960 5.852 13.843 1.00 0.00 H new ATOM 0 HD22 ASN S 32 40.879 5.217 15.088 1.00 0.00 H new ATOM 2171 N ASP S 33 37.643 5.276 17.859 1.00 0.00 N ATOM 2172 CA ASP S 33 36.516 5.354 18.821 1.00 0.00 C ATOM 2173 C ASP S 33 35.876 6.725 18.820 1.00 0.00 C ATOM 2174 O ASP S 33 35.353 7.185 19.817 1.00 0.00 O ATOM 2175 CB ASP S 33 37.103 5.119 20.189 1.00 0.00 C ATOM 2176 CG ASP S 33 36.151 4.257 21.016 1.00 0.00 C ATOM 2177 OD1 ASP S 33 35.908 3.145 20.574 1.00 0.00 O ATOM 2178 OD2 ASP S 33 35.719 4.757 22.041 1.00 0.00 O ATOM 0 H ASP S 33 37.797 4.352 17.456 1.00 0.00 H new ATOM 0 HA ASP S 33 35.755 4.623 18.550 1.00 0.00 H new ATOM 0 HB2 ASP S 33 38.071 4.626 20.100 1.00 0.00 H new ATOM 0 HB3 ASP S 33 37.275 6.072 20.690 1.00 0.00 H new ATOM 2183 N LEU S 34 35.926 7.343 17.680 1.00 0.00 N ATOM 2184 CA LEU S 34 35.333 8.695 17.559 1.00 0.00 C ATOM 2185 C LEU S 34 33.927 8.592 16.999 1.00 0.00 C ATOM 2186 O LEU S 34 33.350 9.567 16.558 1.00 0.00 O ATOM 2187 CB LEU S 34 36.187 9.506 16.577 1.00 0.00 C ATOM 2188 CG LEU S 34 36.714 10.785 17.240 1.00 0.00 C ATOM 2189 CD1 LEU S 34 37.982 10.453 18.026 1.00 0.00 C ATOM 2190 CD2 LEU S 34 37.059 11.802 16.153 1.00 0.00 C ATOM 0 H LEU S 34 36.350 6.972 16.830 1.00 0.00 H new ATOM 0 HA LEU S 34 35.301 9.172 18.539 1.00 0.00 H new ATOM 0 HB2 LEU S 34 37.024 8.900 16.229 1.00 0.00 H new ATOM 0 HB3 LEU S 34 35.594 9.764 15.699 1.00 0.00 H new ATOM 0 HG LEU S 34 35.957 11.195 17.909 1.00 0.00 H new ATOM 0 HD11 LEU S 34 38.363 11.357 18.501 1.00 0.00 H new ATOM 0 HD12 LEU S 34 37.752 9.711 18.791 1.00 0.00 H new ATOM 0 HD13 LEU S 34 38.736 10.054 17.348 1.00 0.00 H new ATOM 0 HD21 LEU S 34 37.435 12.715 16.615 1.00 0.00 H new ATOM 0 HD22 LEU S 34 37.823 11.387 15.496 1.00 0.00 H new ATOM 0 HD23 LEU S 34 36.166 12.031 15.572 1.00 0.00 H new ATOM 2202 N HIS S 35 33.401 7.404 17.031 1.00 0.00 N ATOM 2203 CA HIS S 35 32.023 7.210 16.494 1.00 0.00 C ATOM 2204 C HIS S 35 30.950 7.306 17.569 1.00 0.00 C ATOM 2205 O HIS S 35 29.785 7.378 17.258 1.00 0.00 O ATOM 2206 CB HIS S 35 31.941 5.807 15.906 1.00 0.00 C ATOM 2207 CG HIS S 35 32.187 4.802 17.036 1.00 0.00 C ATOM 2208 ND1 HIS S 35 33.221 4.771 17.773 1.00 0.00 N ATOM 2209 CD2 HIS S 35 31.384 3.780 17.508 1.00 0.00 C ATOM 2210 CE1 HIS S 35 33.127 3.836 18.644 1.00 0.00 C ATOM 2211 NE2 HIS S 35 31.991 3.166 18.535 1.00 0.00 N ATOM 0 H HIS S 35 33.854 6.568 17.399 1.00 0.00 H new ATOM 0 HA HIS S 35 31.845 7.996 15.760 1.00 0.00 H new ATOM 0 HB2 HIS S 35 30.963 5.640 15.454 1.00 0.00 H new ATOM 0 HB3 HIS S 35 32.682 5.681 15.117 1.00 0.00 H new ATOM 0 HD2 HIS S 35 30.415 3.516 17.110 1.00 0.00 H new ATOM 0 HE1 HIS S 35 33.886 3.620 19.381 1.00 0.00 H new ATOM 0 HE2 HIS S 35 31.659 2.379 19.093 1.00 0.00 H new ATOM 2219 N LEU S 36 31.334 7.321 18.807 1.00 0.00 N ATOM 2220 CA LEU S 36 30.285 7.408 19.848 1.00 0.00 C ATOM 2221 C LEU S 36 29.380 8.642 19.691 1.00 0.00 C ATOM 2222 O LEU S 36 28.178 8.520 19.798 1.00 0.00 O ATOM 2223 CB LEU S 36 30.931 7.389 21.238 1.00 0.00 C ATOM 2224 CG LEU S 36 30.691 6.005 21.863 1.00 0.00 C ATOM 2225 CD1 LEU S 36 31.434 5.911 23.194 1.00 0.00 C ATOM 2226 CD2 LEU S 36 29.190 5.792 22.114 1.00 0.00 C ATOM 0 H LEU S 36 32.298 7.278 19.137 1.00 0.00 H new ATOM 0 HA LEU S 36 29.640 6.538 19.727 1.00 0.00 H new ATOM 0 HB2 LEU S 36 31.999 7.592 21.163 1.00 0.00 H new ATOM 0 HB3 LEU S 36 30.502 8.169 21.867 1.00 0.00 H new ATOM 0 HG LEU S 36 31.056 5.241 21.177 1.00 0.00 H new ATOM 0 HD11 LEU S 36 31.264 4.930 23.637 1.00 0.00 H new ATOM 0 HD12 LEU S 36 32.502 6.053 23.026 1.00 0.00 H new ATOM 0 HD13 LEU S 36 31.068 6.683 23.871 1.00 0.00 H new ATOM 0 HD21 LEU S 36 29.031 4.809 22.557 1.00 0.00 H new ATOM 0 HD22 LEU S 36 28.822 6.560 22.794 1.00 0.00 H new ATOM 0 HD23 LEU S 36 28.650 5.856 21.169 1.00 0.00 H new ATOM 2238 N PRO S 37 29.941 9.810 19.437 1.00 0.00 N ATOM 2239 CA PRO S 37 29.111 11.016 19.279 1.00 0.00 C ATOM 2240 C PRO S 37 28.243 10.917 18.028 1.00 0.00 C ATOM 2241 O PRO S 37 27.032 10.986 18.115 1.00 0.00 O ATOM 2242 CB PRO S 37 30.106 12.178 19.146 1.00 0.00 C ATOM 2243 CG PRO S 37 31.535 11.575 19.205 1.00 0.00 C ATOM 2244 CD PRO S 37 31.395 10.046 19.313 1.00 0.00 C ATOM 0 HA PRO S 37 28.433 11.150 20.122 1.00 0.00 H new ATOM 0 HB2 PRO S 37 29.952 12.709 18.207 1.00 0.00 H new ATOM 0 HB3 PRO S 37 29.961 12.901 19.949 1.00 0.00 H new ATOM 0 HG2 PRO S 37 32.101 11.845 18.313 1.00 0.00 H new ATOM 0 HG3 PRO S 37 32.082 11.970 20.061 1.00 0.00 H new ATOM 0 HD2 PRO S 37 31.803 9.548 18.434 1.00 0.00 H new ATOM 0 HD3 PRO S 37 31.934 9.659 20.178 1.00 0.00 H new ATOM 2252 N LEU S 38 28.858 10.760 16.885 1.00 0.00 N ATOM 2253 CA LEU S 38 28.034 10.660 15.657 1.00 0.00 C ATOM 2254 C LEU S 38 27.102 9.460 15.765 1.00 0.00 C ATOM 2255 O LEU S 38 25.950 9.541 15.389 1.00 0.00 O ATOM 2256 CB LEU S 38 28.943 10.552 14.421 1.00 0.00 C ATOM 2257 CG LEU S 38 29.434 9.116 14.209 1.00 0.00 C ATOM 2258 CD1 LEU S 38 28.400 8.285 13.421 1.00 0.00 C ATOM 2259 CD2 LEU S 38 30.716 9.198 13.404 1.00 0.00 C ATOM 0 H LEU S 38 29.868 10.699 16.754 1.00 0.00 H new ATOM 0 HA LEU S 38 27.426 11.558 15.548 1.00 0.00 H new ATOM 0 HB2 LEU S 38 28.399 10.886 13.538 1.00 0.00 H new ATOM 0 HB3 LEU S 38 29.799 11.217 14.538 1.00 0.00 H new ATOM 0 HG LEU S 38 29.589 8.633 15.174 1.00 0.00 H new ATOM 0 HD11 LEU S 38 28.775 7.271 13.286 1.00 0.00 H new ATOM 0 HD12 LEU S 38 27.461 8.254 13.974 1.00 0.00 H new ATOM 0 HD13 LEU S 38 28.232 8.743 12.446 1.00 0.00 H new ATOM 0 HD21 LEU S 38 31.101 8.193 13.230 1.00 0.00 H new ATOM 0 HD22 LEU S 38 30.515 9.680 12.448 1.00 0.00 H new ATOM 0 HD23 LEU S 38 31.455 9.779 13.955 1.00 0.00 H new ATOM 2271 N LEU S 39 27.615 8.365 16.252 1.00 0.00 N ATOM 2272 CA LEU S 39 26.729 7.167 16.380 1.00 0.00 C ATOM 2273 C LEU S 39 25.443 7.625 17.066 1.00 0.00 C ATOM 2274 O LEU S 39 24.350 7.270 16.671 1.00 0.00 O ATOM 2275 CB LEU S 39 27.431 6.094 17.239 1.00 0.00 C ATOM 2276 CG LEU S 39 26.468 4.938 17.551 1.00 0.00 C ATOM 2277 CD1 LEU S 39 25.782 4.456 16.267 1.00 0.00 C ATOM 2278 CD2 LEU S 39 27.274 3.775 18.141 1.00 0.00 C ATOM 0 H LEU S 39 28.580 8.244 16.560 1.00 0.00 H new ATOM 0 HA LEU S 39 26.511 6.736 15.403 1.00 0.00 H new ATOM 0 HB2 LEU S 39 28.306 5.714 16.712 1.00 0.00 H new ATOM 0 HB3 LEU S 39 27.787 6.539 18.168 1.00 0.00 H new ATOM 0 HG LEU S 39 25.711 5.282 18.255 1.00 0.00 H new ATOM 0 HD11 LEU S 39 25.103 3.637 16.503 1.00 0.00 H new ATOM 0 HD12 LEU S 39 25.219 5.278 15.824 1.00 0.00 H new ATOM 0 HD13 LEU S 39 26.536 4.110 15.560 1.00 0.00 H new ATOM 0 HD21 LEU S 39 26.604 2.946 18.368 1.00 0.00 H new ATOM 0 HD22 LEU S 39 28.023 3.449 17.420 1.00 0.00 H new ATOM 0 HD23 LEU S 39 27.769 4.102 19.055 1.00 0.00 H new ATOM 2290 N ASN S 40 25.620 8.410 18.094 1.00 0.00 N ATOM 2291 CA ASN S 40 24.453 8.935 18.848 1.00 0.00 C ATOM 2292 C ASN S 40 23.453 9.581 17.884 1.00 0.00 C ATOM 2293 O ASN S 40 22.259 9.539 18.099 1.00 0.00 O ATOM 2294 CB ASN S 40 24.971 10.015 19.808 1.00 0.00 C ATOM 2295 CG ASN S 40 24.087 10.073 21.051 1.00 0.00 C ATOM 2296 OD1 ASN S 40 22.938 9.672 21.032 1.00 0.00 O ATOM 2297 ND2 ASN S 40 24.583 10.563 22.153 1.00 0.00 N ATOM 0 H ASN S 40 26.530 8.710 18.444 1.00 0.00 H new ATOM 0 HA ASN S 40 23.959 8.125 19.385 1.00 0.00 H new ATOM 0 HB2 ASN S 40 26.000 9.797 20.093 1.00 0.00 H new ATOM 0 HB3 ASN S 40 24.977 10.984 19.310 1.00 0.00 H new ATOM 0 HD21 ASN S 40 24.009 10.609 22.995 1.00 0.00 H new ATOM 0 HD22 ASN S 40 25.545 10.900 22.173 1.00 0.00 H new ATOM 2304 N LEU S 41 23.968 10.181 16.846 1.00 0.00 N ATOM 2305 CA LEU S 41 23.072 10.838 15.852 1.00 0.00 C ATOM 2306 C LEU S 41 22.269 9.789 15.085 1.00 0.00 C ATOM 2307 O LEU S 41 21.218 10.079 14.546 1.00 0.00 O ATOM 2308 CB LEU S 41 23.948 11.617 14.858 1.00 0.00 C ATOM 2309 CG LEU S 41 23.082 12.617 14.084 1.00 0.00 C ATOM 2310 CD1 LEU S 41 23.053 13.949 14.840 1.00 0.00 C ATOM 2311 CD2 LEU S 41 23.690 12.838 12.699 1.00 0.00 C ATOM 0 H LEU S 41 24.966 10.245 16.643 1.00 0.00 H new ATOM 0 HA LEU S 41 22.380 11.503 16.369 1.00 0.00 H new ATOM 0 HB2 LEU S 41 24.741 12.143 15.391 1.00 0.00 H new ATOM 0 HB3 LEU S 41 24.432 10.928 14.166 1.00 0.00 H new ATOM 0 HG LEU S 41 22.068 12.229 13.985 1.00 0.00 H new ATOM 0 HD11 LEU S 41 22.438 14.664 14.294 1.00 0.00 H new ATOM 0 HD12 LEU S 41 22.633 13.794 15.834 1.00 0.00 H new ATOM 0 HD13 LEU S 41 24.067 14.338 14.931 1.00 0.00 H new ATOM 0 HD21 LEU S 41 23.079 13.549 12.143 1.00 0.00 H new ATOM 0 HD22 LEU S 41 24.701 13.233 12.804 1.00 0.00 H new ATOM 0 HD23 LEU S 41 23.725 11.890 12.161 1.00 0.00 H new ATOM 2323 N MET S 42 22.783 8.588 15.059 1.00 0.00 N ATOM 2324 CA MET S 42 22.077 7.492 14.337 1.00 0.00 C ATOM 2325 C MET S 42 21.374 6.538 15.306 1.00 0.00 C ATOM 2326 O MET S 42 20.691 5.624 14.884 1.00 0.00 O ATOM 2327 CB MET S 42 23.123 6.692 13.547 1.00 0.00 C ATOM 2328 CG MET S 42 23.928 7.644 12.660 1.00 0.00 C ATOM 2329 SD MET S 42 24.835 6.926 11.266 1.00 0.00 S ATOM 2330 CE MET S 42 25.589 5.546 12.164 1.00 0.00 C ATOM 0 H MET S 42 23.660 8.320 15.506 1.00 0.00 H new ATOM 0 HA MET S 42 21.324 7.934 13.684 1.00 0.00 H new ATOM 0 HB2 MET S 42 23.788 6.166 14.232 1.00 0.00 H new ATOM 0 HB3 MET S 42 22.632 5.935 12.935 1.00 0.00 H new ATOM 0 HG2 MET S 42 23.243 8.394 12.265 1.00 0.00 H new ATOM 0 HG3 MET S 42 24.644 8.168 13.293 1.00 0.00 H new ATOM 0 HE1 MET S 42 26.386 5.112 11.561 1.00 0.00 H new ATOM 0 HE2 MET S 42 26.002 5.907 13.106 1.00 0.00 H new ATOM 0 HE3 MET S 42 24.833 4.787 12.367 1.00 0.00 H new ATOM 2340 N LEU S 43 21.548 6.762 16.583 1.00 0.00 N ATOM 2341 CA LEU S 43 20.894 5.873 17.578 1.00 0.00 C ATOM 2342 C LEU S 43 19.457 5.534 17.186 1.00 0.00 C ATOM 2343 O LEU S 43 19.154 4.395 16.896 1.00 0.00 O ATOM 2344 CB LEU S 43 20.862 6.597 18.930 1.00 0.00 C ATOM 2345 CG LEU S 43 21.628 5.779 19.971 1.00 0.00 C ATOM 2346 CD1 LEU S 43 21.777 6.607 21.249 1.00 0.00 C ATOM 2347 CD2 LEU S 43 20.849 4.501 20.296 1.00 0.00 C ATOM 0 H LEU S 43 22.111 7.517 16.974 1.00 0.00 H new ATOM 0 HA LEU S 43 21.464 4.945 17.627 1.00 0.00 H new ATOM 0 HB2 LEU S 43 21.306 7.588 18.833 1.00 0.00 H new ATOM 0 HB3 LEU S 43 19.831 6.740 19.253 1.00 0.00 H new ATOM 0 HG LEU S 43 22.610 5.519 19.576 1.00 0.00 H new ATOM 0 HD11 LEU S 43 22.322 6.029 21.995 1.00 0.00 H new ATOM 0 HD12 LEU S 43 22.325 7.523 21.027 1.00 0.00 H new ATOM 0 HD13 LEU S 43 20.790 6.860 21.636 1.00 0.00 H new ATOM 0 HD21 LEU S 43 21.397 3.920 21.038 1.00 0.00 H new ATOM 0 HD22 LEU S 43 19.868 4.764 20.693 1.00 0.00 H new ATOM 0 HD23 LEU S 43 20.727 3.909 19.389 1.00 0.00 H new ATOM 2359 N THR S 44 18.606 6.532 17.197 1.00 0.00 N ATOM 2360 CA THR S 44 17.175 6.308 16.836 1.00 0.00 C ATOM 2361 C THR S 44 16.561 5.213 17.748 1.00 0.00 C ATOM 2362 O THR S 44 17.018 4.089 17.730 1.00 0.00 O ATOM 2363 CB THR S 44 17.108 5.847 15.371 1.00 0.00 C ATOM 2364 OG1 THR S 44 17.366 7.010 14.604 1.00 0.00 O ATOM 2365 CG2 THR S 44 15.678 5.452 14.991 1.00 0.00 C ATOM 0 H THR S 44 18.844 7.493 17.441 1.00 0.00 H new ATOM 0 HA THR S 44 16.614 7.233 16.969 1.00 0.00 H new ATOM 0 HB THR S 44 17.792 5.013 15.213 1.00 0.00 H new ATOM 0 HG1 THR S 44 17.036 6.879 13.691 1.00 0.00 H new ATOM 0 HG21 THR S 44 15.654 5.129 13.950 1.00 0.00 H new ATOM 0 HG22 THR S 44 15.343 4.636 15.632 1.00 0.00 H new ATOM 0 HG23 THR S 44 15.017 6.309 15.120 1.00 0.00 H new ATOM 2373 N PRO S 45 15.520 5.524 18.522 1.00 0.00 N ATOM 2374 CA PRO S 45 14.910 4.512 19.410 1.00 0.00 C ATOM 2375 C PRO S 45 14.526 3.225 18.676 1.00 0.00 C ATOM 2376 O PRO S 45 15.015 2.162 19.001 1.00 0.00 O ATOM 2377 CB PRO S 45 13.646 5.185 19.969 1.00 0.00 C ATOM 2378 CG PRO S 45 13.669 6.668 19.530 1.00 0.00 C ATOM 2379 CD PRO S 45 14.851 6.848 18.566 1.00 0.00 C ATOM 0 HA PRO S 45 15.620 4.209 20.180 1.00 0.00 H new ATOM 0 HB2 PRO S 45 12.751 4.689 19.594 1.00 0.00 H new ATOM 0 HB3 PRO S 45 13.621 5.108 21.056 1.00 0.00 H new ATOM 0 HG2 PRO S 45 12.732 6.938 19.042 1.00 0.00 H new ATOM 0 HG3 PRO S 45 13.777 7.322 20.395 1.00 0.00 H new ATOM 0 HD2 PRO S 45 14.510 7.150 17.576 1.00 0.00 H new ATOM 0 HD3 PRO S 45 15.532 7.622 18.918 1.00 0.00 H new ATOM 2387 N ASP S 46 13.657 3.342 17.712 1.00 0.00 N ATOM 2388 CA ASP S 46 13.235 2.131 16.956 1.00 0.00 C ATOM 2389 C ASP S 46 14.423 1.222 16.637 1.00 0.00 C ATOM 2390 O ASP S 46 14.303 0.014 16.660 1.00 0.00 O ATOM 2391 CB ASP S 46 12.593 2.584 15.642 1.00 0.00 C ATOM 2392 CG ASP S 46 12.539 1.402 14.672 1.00 0.00 C ATOM 2393 OD1 ASP S 46 11.850 0.455 15.012 1.00 0.00 O ATOM 2394 OD2 ASP S 46 13.189 1.514 13.646 1.00 0.00 O ATOM 0 H ASP S 46 13.223 4.217 17.416 1.00 0.00 H new ATOM 0 HA ASP S 46 12.532 1.566 17.569 1.00 0.00 H new ATOM 0 HB2 ASP S 46 11.588 2.964 15.827 1.00 0.00 H new ATOM 0 HB3 ASP S 46 13.168 3.401 15.206 1.00 0.00 H new ATOM 2399 N GLU S 47 15.545 1.818 16.344 1.00 0.00 N ATOM 2400 CA GLU S 47 16.746 0.998 16.023 1.00 0.00 C ATOM 2401 C GLU S 47 17.433 0.502 17.293 1.00 0.00 C ATOM 2402 O GLU S 47 17.918 -0.611 17.346 1.00 0.00 O ATOM 2403 CB GLU S 47 17.730 1.873 15.244 1.00 0.00 C ATOM 2404 CG GLU S 47 17.197 2.094 13.828 1.00 0.00 C ATOM 2405 CD GLU S 47 17.975 1.206 12.853 1.00 0.00 C ATOM 2406 OE1 GLU S 47 18.269 0.093 13.251 1.00 0.00 O ATOM 2407 OE2 GLU S 47 18.234 1.697 11.766 1.00 0.00 O ATOM 0 H GLU S 47 15.682 2.828 16.313 1.00 0.00 H new ATOM 0 HA GLU S 47 16.435 0.132 15.439 1.00 0.00 H new ATOM 0 HB2 GLU S 47 17.862 2.830 15.749 1.00 0.00 H new ATOM 0 HB3 GLU S 47 18.709 1.395 15.206 1.00 0.00 H new ATOM 0 HG2 GLU S 47 16.134 1.857 13.786 1.00 0.00 H new ATOM 0 HG3 GLU S 47 17.301 3.142 13.547 1.00 0.00 H new ATOM 2414 N ARG S 48 17.463 1.340 18.288 1.00 0.00 N ATOM 2415 CA ARG S 48 18.114 0.941 19.563 1.00 0.00 C ATOM 2416 C ARG S 48 17.634 -0.439 20.014 1.00 0.00 C ATOM 2417 O ARG S 48 18.427 -1.327 20.253 1.00 0.00 O ATOM 2418 CB ARG S 48 17.727 1.973 20.630 1.00 0.00 C ATOM 2419 CG ARG S 48 18.587 1.765 21.877 1.00 0.00 C ATOM 2420 CD ARG S 48 17.738 2.043 23.118 1.00 0.00 C ATOM 2421 NE ARG S 48 16.708 0.975 23.242 1.00 0.00 N ATOM 2422 CZ ARG S 48 15.926 0.951 24.285 1.00 0.00 C ATOM 2423 NH1 ARG S 48 16.460 1.007 25.475 1.00 0.00 N ATOM 2424 NH2 ARG S 48 14.635 0.870 24.105 1.00 0.00 N ATOM 0 H ARG S 48 17.067 2.280 18.274 1.00 0.00 H new ATOM 0 HA ARG S 48 19.194 0.899 19.420 1.00 0.00 H new ATOM 0 HB2 ARG S 48 17.867 2.982 20.243 1.00 0.00 H new ATOM 0 HB3 ARG S 48 16.671 1.872 20.882 1.00 0.00 H new ATOM 0 HG2 ARG S 48 18.971 0.745 21.904 1.00 0.00 H new ATOM 0 HG3 ARG S 48 19.450 2.430 21.854 1.00 0.00 H new ATOM 0 HD2 ARG S 48 18.367 2.067 24.008 1.00 0.00 H new ATOM 0 HD3 ARG S 48 17.261 3.020 23.038 1.00 0.00 H new ATOM 0 HE ARG S 48 16.615 0.266 22.515 1.00 0.00 H new ATOM 0 HH11 ARG S 48 17.473 1.068 25.577 1.00 0.00 H new ATOM 0 HH12 ARG S 48 15.864 0.989 26.303 1.00 0.00 H new ATOM 0 HH21 ARG S 48 14.254 0.827 23.160 1.00 0.00 H new ATOM 0 HH22 ARG S 48 14.008 0.850 24.909 1.00 0.00 H new ATOM 2438 N GLU S 49 16.342 -0.587 20.122 1.00 0.00 N ATOM 2439 CA GLU S 49 15.781 -1.896 20.557 1.00 0.00 C ATOM 2440 C GLU S 49 16.097 -3.016 19.563 1.00 0.00 C ATOM 2441 O GLU S 49 15.877 -4.178 19.851 1.00 0.00 O ATOM 2442 CB GLU S 49 14.258 -1.750 20.659 1.00 0.00 C ATOM 2443 CG GLU S 49 13.744 -2.635 21.795 1.00 0.00 C ATOM 2444 CD GLU S 49 12.268 -2.957 21.557 1.00 0.00 C ATOM 2445 OE1 GLU S 49 11.646 -2.171 20.863 1.00 0.00 O ATOM 2446 OE2 GLU S 49 11.844 -3.973 22.085 1.00 0.00 O ATOM 0 H GLU S 49 15.653 0.140 19.928 1.00 0.00 H new ATOM 0 HA GLU S 49 16.230 -2.161 21.514 1.00 0.00 H new ATOM 0 HB2 GLU S 49 13.992 -0.709 20.844 1.00 0.00 H new ATOM 0 HB3 GLU S 49 13.789 -2.037 19.718 1.00 0.00 H new ATOM 0 HG2 GLU S 49 14.325 -3.556 21.846 1.00 0.00 H new ATOM 0 HG3 GLU S 49 13.868 -2.127 22.751 1.00 0.00 H new ATOM 2453 N ALA S 50 16.607 -2.659 18.414 1.00 0.00 N ATOM 2454 CA ALA S 50 16.929 -3.705 17.406 1.00 0.00 C ATOM 2455 C ALA S 50 18.374 -4.195 17.524 1.00 0.00 C ATOM 2456 O ALA S 50 18.637 -5.373 17.395 1.00 0.00 O ATOM 2457 CB ALA S 50 16.735 -3.104 16.009 1.00 0.00 C ATOM 0 H ALA S 50 16.812 -1.700 18.134 1.00 0.00 H new ATOM 0 HA ALA S 50 16.269 -4.555 17.578 1.00 0.00 H new ATOM 0 HB1 ALA S 50 16.966 -3.856 15.254 1.00 0.00 H new ATOM 0 HB2 ALA S 50 15.701 -2.779 15.893 1.00 0.00 H new ATOM 0 HB3 ALA S 50 17.400 -2.249 15.885 1.00 0.00 H new ATOM 2463 N LEU S 51 19.285 -3.293 17.773 1.00 0.00 N ATOM 2464 CA LEU S 51 20.706 -3.723 17.893 1.00 0.00 C ATOM 2465 C LEU S 51 20.861 -4.878 18.873 1.00 0.00 C ATOM 2466 O LEU S 51 21.392 -5.918 18.536 1.00 0.00 O ATOM 2467 CB LEU S 51 21.547 -2.549 18.412 1.00 0.00 C ATOM 2468 CG LEU S 51 23.005 -3.005 18.512 1.00 0.00 C ATOM 2469 CD1 LEU S 51 23.910 -1.933 17.903 1.00 0.00 C ATOM 2470 CD2 LEU S 51 23.375 -3.200 19.983 1.00 0.00 C ATOM 0 H LEU S 51 19.111 -2.295 17.896 1.00 0.00 H new ATOM 0 HA LEU S 51 21.039 -4.046 16.907 1.00 0.00 H new ATOM 0 HB2 LEU S 51 21.462 -1.695 17.740 1.00 0.00 H new ATOM 0 HB3 LEU S 51 21.184 -2.224 19.387 1.00 0.00 H new ATOM 0 HG LEU S 51 23.133 -3.945 17.975 1.00 0.00 H new ATOM 0 HD11 LEU S 51 24.950 -2.253 17.972 1.00 0.00 H new ATOM 0 HD12 LEU S 51 23.644 -1.784 16.856 1.00 0.00 H new ATOM 0 HD13 LEU S 51 23.782 -0.997 18.446 1.00 0.00 H new ATOM 0 HD21 LEU S 51 24.413 -3.525 20.057 1.00 0.00 H new ATOM 0 HD22 LEU S 51 23.250 -2.258 20.517 1.00 0.00 H new ATOM 0 HD23 LEU S 51 22.726 -3.956 20.424 1.00 0.00 H new ATOM 2482 N GLY S 52 20.399 -4.673 20.070 1.00 0.00 N ATOM 2483 CA GLY S 52 20.511 -5.750 21.087 1.00 0.00 C ATOM 2484 C GLY S 52 19.845 -7.044 20.587 1.00 0.00 C ATOM 2485 O GLY S 52 20.449 -8.104 20.595 1.00 0.00 O ATOM 0 H GLY S 52 19.952 -3.813 20.388 1.00 0.00 H new ATOM 0 HA2 GLY S 52 21.561 -5.939 21.310 1.00 0.00 H new ATOM 0 HA3 GLY S 52 20.041 -5.429 22.017 1.00 0.00 H new ATOM 2489 N THR S 53 18.617 -6.930 20.151 1.00 0.00 N ATOM 2490 CA THR S 53 17.900 -8.137 19.650 1.00 0.00 C ATOM 2491 C THR S 53 18.719 -8.894 18.602 1.00 0.00 C ATOM 2492 O THR S 53 19.006 -10.059 18.767 1.00 0.00 O ATOM 2493 CB THR S 53 16.580 -7.692 19.013 1.00 0.00 C ATOM 2494 OG1 THR S 53 15.781 -7.227 20.087 1.00 0.00 O ATOM 2495 CG2 THR S 53 15.818 -8.902 18.459 1.00 0.00 C ATOM 0 H THR S 53 18.085 -6.060 20.121 1.00 0.00 H new ATOM 0 HA THR S 53 17.730 -8.805 20.494 1.00 0.00 H new ATOM 0 HB THR S 53 16.773 -6.964 18.225 1.00 0.00 H new ATOM 0 HG1 THR S 53 15.750 -6.248 20.071 1.00 0.00 H new ATOM 0 HG21 THR S 53 14.883 -8.568 18.010 1.00 0.00 H new ATOM 0 HG22 THR S 53 16.426 -9.400 17.704 1.00 0.00 H new ATOM 0 HG23 THR S 53 15.603 -9.599 19.269 1.00 0.00 H new ATOM 2503 N ARG S 54 19.068 -8.232 17.535 1.00 0.00 N ATOM 2504 CA ARG S 54 19.861 -8.913 16.490 1.00 0.00 C ATOM 2505 C ARG S 54 21.105 -9.540 17.096 1.00 0.00 C ATOM 2506 O ARG S 54 21.419 -10.682 16.841 1.00 0.00 O ATOM 2507 CB ARG S 54 20.281 -7.847 15.479 1.00 0.00 C ATOM 2508 CG ARG S 54 19.028 -7.211 14.869 1.00 0.00 C ATOM 2509 CD ARG S 54 18.328 -8.213 13.944 1.00 0.00 C ATOM 2510 NE ARG S 54 17.523 -7.461 12.945 1.00 0.00 N ATOM 2511 CZ ARG S 54 16.299 -7.834 12.697 1.00 0.00 C ATOM 2512 NH1 ARG S 54 16.102 -8.913 11.990 1.00 0.00 N ATOM 2513 NH2 ARG S 54 15.317 -7.119 13.169 1.00 0.00 N ATOM 0 H ARG S 54 18.838 -7.256 17.347 1.00 0.00 H new ATOM 0 HA ARG S 54 19.272 -9.701 16.020 1.00 0.00 H new ATOM 0 HB2 ARG S 54 20.889 -7.085 15.967 1.00 0.00 H new ATOM 0 HB3 ARG S 54 20.895 -8.293 14.696 1.00 0.00 H new ATOM 0 HG2 ARG S 54 18.347 -6.897 15.661 1.00 0.00 H new ATOM 0 HG3 ARG S 54 19.300 -6.316 14.310 1.00 0.00 H new ATOM 0 HD2 ARG S 54 19.064 -8.840 13.441 1.00 0.00 H new ATOM 0 HD3 ARG S 54 17.686 -8.877 14.523 1.00 0.00 H new ATOM 0 HE ARG S 54 17.925 -6.660 12.458 1.00 0.00 H new ATOM 0 HH11 ARG S 54 16.898 -9.448 11.643 1.00 0.00 H new ATOM 0 HH12 ARG S 54 15.152 -9.222 11.785 1.00 0.00 H new ATOM 0 HH21 ARG S 54 15.513 -6.284 13.721 1.00 0.00 H new ATOM 0 HH22 ARG S 54 14.352 -7.394 12.986 1.00 0.00 H new ATOM 2527 N VAL S 55 21.789 -8.778 17.891 1.00 0.00 N ATOM 2528 CA VAL S 55 23.020 -9.308 18.530 1.00 0.00 C ATOM 2529 C VAL S 55 22.778 -10.722 19.083 1.00 0.00 C ATOM 2530 O VAL S 55 23.647 -11.574 19.038 1.00 0.00 O ATOM 2531 CB VAL S 55 23.398 -8.335 19.670 1.00 0.00 C ATOM 2532 CG1 VAL S 55 23.610 -9.075 21.000 1.00 0.00 C ATOM 2533 CG2 VAL S 55 24.695 -7.621 19.291 1.00 0.00 C ATOM 0 H VAL S 55 21.552 -7.814 18.127 1.00 0.00 H new ATOM 0 HA VAL S 55 23.829 -9.381 17.803 1.00 0.00 H new ATOM 0 HB VAL S 55 22.581 -7.626 19.802 1.00 0.00 H new ATOM 0 HG11 VAL S 55 23.874 -8.358 21.777 1.00 0.00 H new ATOM 0 HG12 VAL S 55 22.692 -9.591 21.280 1.00 0.00 H new ATOM 0 HG13 VAL S 55 24.415 -9.802 20.888 1.00 0.00 H new ATOM 0 HG21 VAL S 55 24.976 -6.930 20.086 1.00 0.00 H new ATOM 0 HG22 VAL S 55 25.488 -8.356 19.152 1.00 0.00 H new ATOM 0 HG23 VAL S 55 24.548 -7.067 18.364 1.00 0.00 H new ATOM 2543 N ARG S 56 21.593 -10.945 19.580 1.00 0.00 N ATOM 2544 CA ARG S 56 21.275 -12.290 20.142 1.00 0.00 C ATOM 2545 C ARG S 56 21.442 -13.428 19.124 1.00 0.00 C ATOM 2546 O ARG S 56 22.007 -14.454 19.450 1.00 0.00 O ATOM 2547 CB ARG S 56 19.821 -12.273 20.635 1.00 0.00 C ATOM 2548 CG ARG S 56 19.741 -12.910 22.026 1.00 0.00 C ATOM 2549 CD ARG S 56 20.192 -11.882 23.070 1.00 0.00 C ATOM 2550 NE ARG S 56 19.008 -11.101 23.527 1.00 0.00 N ATOM 2551 CZ ARG S 56 18.748 -11.008 24.803 1.00 0.00 C ATOM 2552 NH1 ARG S 56 19.382 -10.117 25.515 1.00 0.00 N ATOM 2553 NH2 ARG S 56 17.861 -11.810 25.327 1.00 0.00 N ATOM 0 H ARG S 56 20.837 -10.262 19.622 1.00 0.00 H new ATOM 0 HA ARG S 56 21.979 -12.483 20.951 1.00 0.00 H new ATOM 0 HB2 ARG S 56 19.451 -11.248 20.672 1.00 0.00 H new ATOM 0 HB3 ARG S 56 19.184 -12.817 19.938 1.00 0.00 H new ATOM 0 HG2 ARG S 56 18.722 -13.235 22.233 1.00 0.00 H new ATOM 0 HG3 ARG S 56 20.374 -13.796 22.072 1.00 0.00 H new ATOM 0 HD2 ARG S 56 20.660 -12.385 23.916 1.00 0.00 H new ATOM 0 HD3 ARG S 56 20.940 -11.215 22.642 1.00 0.00 H new ATOM 0 HE ARG S 56 18.404 -10.641 22.846 1.00 0.00 H new ATOM 0 HH11 ARG S 56 20.069 -9.506 25.073 1.00 0.00 H new ATOM 0 HH12 ARG S 56 19.190 -10.031 26.513 1.00 0.00 H new ATOM 0 HH21 ARG S 56 17.384 -12.495 24.741 1.00 0.00 H new ATOM 0 HH22 ARG S 56 17.645 -11.751 26.322 1.00 0.00 H new ATOM 2567 N ILE S 57 20.956 -13.256 17.918 1.00 0.00 N ATOM 2568 CA ILE S 57 21.111 -14.354 16.933 1.00 0.00 C ATOM 2569 C ILE S 57 22.571 -14.792 16.779 1.00 0.00 C ATOM 2570 O ILE S 57 22.879 -15.949 16.981 1.00 0.00 O ATOM 2571 CB ILE S 57 20.521 -13.915 15.586 1.00 0.00 C ATOM 2572 CG1 ILE S 57 21.528 -13.145 14.738 1.00 0.00 C ATOM 2573 CG2 ILE S 57 19.310 -13.010 15.852 1.00 0.00 C ATOM 2574 CD1 ILE S 57 20.791 -12.563 13.537 1.00 0.00 C ATOM 0 H ILE S 57 20.472 -12.422 17.585 1.00 0.00 H new ATOM 0 HA ILE S 57 20.566 -15.223 17.302 1.00 0.00 H new ATOM 0 HB ILE S 57 20.237 -14.812 15.036 1.00 0.00 H new ATOM 0 HG12 ILE S 57 21.989 -12.349 15.324 1.00 0.00 H new ATOM 0 HG13 ILE S 57 22.331 -13.804 14.409 1.00 0.00 H new ATOM 0 HG21 ILE S 57 18.880 -12.690 14.903 1.00 0.00 H new ATOM 0 HG22 ILE S 57 18.562 -13.561 16.422 1.00 0.00 H new ATOM 0 HG23 ILE S 57 19.627 -12.135 16.420 1.00 0.00 H new ATOM 0 HD11 ILE S 57 21.492 -12.007 12.915 1.00 0.00 H new ATOM 0 HD12 ILE S 57 20.350 -13.372 12.954 1.00 0.00 H new ATOM 0 HD13 ILE S 57 20.003 -11.894 13.883 1.00 0.00 H new ATOM 2586 N VAL S 58 23.453 -13.884 16.445 1.00 0.00 N ATOM 2587 CA VAL S 58 24.875 -14.304 16.291 1.00 0.00 C ATOM 2588 C VAL S 58 25.339 -15.100 17.513 1.00 0.00 C ATOM 2589 O VAL S 58 25.973 -16.133 17.379 1.00 0.00 O ATOM 2590 CB VAL S 58 25.757 -13.055 16.076 1.00 0.00 C ATOM 2591 CG1 VAL S 58 24.901 -11.945 15.464 1.00 0.00 C ATOM 2592 CG2 VAL S 58 26.356 -12.555 17.393 1.00 0.00 C ATOM 0 H VAL S 58 23.257 -12.897 16.277 1.00 0.00 H new ATOM 0 HA VAL S 58 24.966 -14.955 15.421 1.00 0.00 H new ATOM 0 HB VAL S 58 26.577 -13.325 15.411 1.00 0.00 H new ATOM 0 HG11 VAL S 58 25.514 -11.057 15.308 1.00 0.00 H new ATOM 0 HG12 VAL S 58 24.498 -12.281 14.508 1.00 0.00 H new ATOM 0 HG13 VAL S 58 24.080 -11.705 16.139 1.00 0.00 H new ATOM 0 HG21 VAL S 58 26.970 -11.675 17.202 1.00 0.00 H new ATOM 0 HG22 VAL S 58 25.553 -12.294 18.082 1.00 0.00 H new ATOM 0 HG23 VAL S 58 26.972 -13.339 17.833 1.00 0.00 H new ATOM 2602 N GLU S 59 24.987 -14.637 18.680 1.00 0.00 N ATOM 2603 CA GLU S 59 25.412 -15.371 19.899 1.00 0.00 C ATOM 2604 C GLU S 59 24.647 -16.682 20.056 1.00 0.00 C ATOM 2605 O GLU S 59 25.147 -17.744 19.738 1.00 0.00 O ATOM 2606 CB GLU S 59 25.103 -14.501 21.124 1.00 0.00 C ATOM 2607 CG GLU S 59 26.056 -13.303 21.164 1.00 0.00 C ATOM 2608 CD GLU S 59 26.100 -12.757 22.593 1.00 0.00 C ATOM 2609 OE1 GLU S 59 25.171 -13.066 23.317 1.00 0.00 O ATOM 2610 OE2 GLU S 59 27.062 -12.063 22.878 1.00 0.00 O ATOM 0 H GLU S 59 24.433 -13.796 18.840 1.00 0.00 H new ATOM 0 HA GLU S 59 26.476 -15.589 19.812 1.00 0.00 H new ATOM 0 HB2 GLU S 59 24.070 -14.155 21.084 1.00 0.00 H new ATOM 0 HB3 GLU S 59 25.207 -15.090 22.035 1.00 0.00 H new ATOM 0 HG2 GLU S 59 27.054 -13.603 20.844 1.00 0.00 H new ATOM 0 HG3 GLU S 59 25.719 -12.529 20.474 1.00 0.00 H new ATOM 2617 N GLU S 60 23.448 -16.567 20.549 1.00 0.00 N ATOM 2618 CA GLU S 60 22.592 -17.768 20.758 1.00 0.00 C ATOM 2619 C GLU S 60 22.787 -18.853 19.693 1.00 0.00 C ATOM 2620 O GLU S 60 22.757 -20.026 20.009 1.00 0.00 O ATOM 2621 CB GLU S 60 21.129 -17.312 20.724 1.00 0.00 C ATOM 2622 CG GLU S 60 20.363 -18.010 21.847 1.00 0.00 C ATOM 2623 CD GLU S 60 20.555 -19.523 21.730 1.00 0.00 C ATOM 2624 OE1 GLU S 60 20.067 -20.057 20.748 1.00 0.00 O ATOM 2625 OE2 GLU S 60 21.182 -20.061 22.628 1.00 0.00 O ATOM 0 H GLU S 60 23.018 -15.682 20.820 1.00 0.00 H new ATOM 0 HA GLU S 60 22.874 -18.209 21.714 1.00 0.00 H new ATOM 0 HB2 GLU S 60 21.069 -16.230 20.844 1.00 0.00 H new ATOM 0 HB3 GLU S 60 20.683 -17.551 19.759 1.00 0.00 H new ATOM 0 HG2 GLU S 60 20.719 -17.661 22.816 1.00 0.00 H new ATOM 0 HG3 GLU S 60 19.303 -17.761 21.788 1.00 0.00 H new ATOM 3131 N VAL S 94 28.130 -17.923 3.834 1.00 0.00 N ATOM 3132 CA VAL S 94 29.393 -18.540 4.326 1.00 0.00 C ATOM 3133 C VAL S 94 30.470 -17.496 4.627 1.00 0.00 C ATOM 3134 O VAL S 94 31.368 -17.740 5.405 1.00 0.00 O ATOM 3135 CB VAL S 94 29.912 -19.467 3.220 1.00 0.00 C ATOM 3136 CG1 VAL S 94 30.919 -20.456 3.811 1.00 0.00 C ATOM 3137 CG2 VAL S 94 28.734 -20.240 2.621 1.00 0.00 C ATOM 0 HA VAL S 94 29.182 -19.074 5.253 1.00 0.00 H new ATOM 0 HB VAL S 94 30.399 -18.875 2.445 1.00 0.00 H new ATOM 0 HG11 VAL S 94 31.287 -21.114 3.024 1.00 0.00 H new ATOM 0 HG12 VAL S 94 31.755 -19.908 4.246 1.00 0.00 H new ATOM 0 HG13 VAL S 94 30.433 -21.051 4.584 1.00 0.00 H new ATOM 0 HG21 VAL S 94 29.096 -20.901 1.834 1.00 0.00 H new ATOM 0 HG22 VAL S 94 28.253 -20.832 3.400 1.00 0.00 H new ATOM 0 HG23 VAL S 94 28.013 -19.538 2.202 1.00 0.00 H new ATOM 3147 N GLU S 95 30.363 -16.356 4.008 1.00 0.00 N ATOM 3148 CA GLU S 95 31.382 -15.302 4.259 1.00 0.00 C ATOM 3149 C GLU S 95 31.339 -14.818 5.708 1.00 0.00 C ATOM 3150 O GLU S 95 32.183 -14.055 6.132 1.00 0.00 O ATOM 3151 CB GLU S 95 31.089 -14.117 3.331 1.00 0.00 C ATOM 3152 CG GLU S 95 31.844 -14.304 2.014 1.00 0.00 C ATOM 3153 CD GLU S 95 33.244 -13.701 2.147 1.00 0.00 C ATOM 3154 OE1 GLU S 95 33.689 -13.603 3.279 1.00 0.00 O ATOM 3155 OE2 GLU S 95 33.791 -13.369 1.108 1.00 0.00 O ATOM 0 H GLU S 95 29.625 -16.110 3.348 1.00 0.00 H new ATOM 0 HA GLU S 95 32.371 -15.719 4.069 1.00 0.00 H new ATOM 0 HB2 GLU S 95 30.018 -14.045 3.142 1.00 0.00 H new ATOM 0 HB3 GLU S 95 31.392 -13.184 3.807 1.00 0.00 H new ATOM 0 HG2 GLU S 95 31.913 -15.364 1.768 1.00 0.00 H new ATOM 0 HG3 GLU S 95 31.303 -13.822 1.199 1.00 0.00 H new ATOM 3162 N LEU S 96 30.367 -15.281 6.446 1.00 0.00 N ATOM 3163 CA LEU S 96 30.265 -14.849 7.866 1.00 0.00 C ATOM 3164 C LEU S 96 31.100 -15.739 8.781 1.00 0.00 C ATOM 3165 O LEU S 96 32.000 -15.265 9.449 1.00 0.00 O ATOM 3166 CB LEU S 96 28.784 -14.922 8.279 1.00 0.00 C ATOM 3167 CG LEU S 96 28.632 -14.799 9.802 1.00 0.00 C ATOM 3168 CD1 LEU S 96 29.378 -13.559 10.313 1.00 0.00 C ATOM 3169 CD2 LEU S 96 27.147 -14.644 10.132 1.00 0.00 C ATOM 0 H LEU S 96 29.648 -15.932 6.131 1.00 0.00 H new ATOM 0 HA LEU S 96 30.647 -13.833 7.961 1.00 0.00 H new ATOM 0 HB2 LEU S 96 28.226 -14.124 7.788 1.00 0.00 H new ATOM 0 HB3 LEU S 96 28.355 -15.865 7.942 1.00 0.00 H new ATOM 0 HG LEU S 96 29.046 -15.688 10.277 1.00 0.00 H new ATOM 0 HD11 LEU S 96 29.262 -13.484 11.394 1.00 0.00 H new ATOM 0 HD12 LEU S 96 30.436 -13.644 10.067 1.00 0.00 H new ATOM 0 HD13 LEU S 96 28.966 -12.667 9.841 1.00 0.00 H new ATOM 0 HD21 LEU S 96 27.021 -14.555 11.211 1.00 0.00 H new ATOM 0 HD22 LEU S 96 26.758 -13.749 9.647 1.00 0.00 H new ATOM 0 HD23 LEU S 96 26.602 -15.517 9.774 1.00 0.00 H new ATOM 3181 N ARG S 97 30.784 -17.005 8.804 1.00 0.00 N ATOM 3182 CA ARG S 97 31.544 -17.934 9.662 1.00 0.00 C ATOM 3183 C ARG S 97 33.034 -17.612 9.616 1.00 0.00 C ATOM 3184 O ARG S 97 33.772 -17.902 10.540 1.00 0.00 O ATOM 3185 CB ARG S 97 31.307 -19.335 9.108 1.00 0.00 C ATOM 3186 CG ARG S 97 29.812 -19.660 9.202 1.00 0.00 C ATOM 3187 CD ARG S 97 29.540 -21.008 8.526 1.00 0.00 C ATOM 3188 NE ARG S 97 28.460 -20.832 7.514 1.00 0.00 N ATOM 3189 CZ ARG S 97 27.227 -21.105 7.842 1.00 0.00 C ATOM 3190 NH1 ARG S 97 26.983 -22.198 8.511 1.00 0.00 N ATOM 3191 NH2 ARG S 97 26.281 -20.279 7.490 1.00 0.00 N ATOM 0 H ARG S 97 30.031 -17.429 8.263 1.00 0.00 H new ATOM 0 HA ARG S 97 31.218 -17.851 10.699 1.00 0.00 H new ATOM 0 HB2 ARG S 97 31.641 -19.392 8.072 1.00 0.00 H new ATOM 0 HB3 ARG S 97 31.888 -20.066 9.671 1.00 0.00 H new ATOM 0 HG2 ARG S 97 29.501 -19.695 10.246 1.00 0.00 H new ATOM 0 HG3 ARG S 97 29.227 -18.875 8.722 1.00 0.00 H new ATOM 0 HD2 ARG S 97 30.447 -21.380 8.049 1.00 0.00 H new ATOM 0 HD3 ARG S 97 29.244 -21.749 9.268 1.00 0.00 H new ATOM 0 HE ARG S 97 28.682 -20.502 6.575 1.00 0.00 H new ATOM 0 HH11 ARG S 97 27.749 -22.821 8.768 1.00 0.00 H new ATOM 0 HH12 ARG S 97 26.026 -22.430 8.777 1.00 0.00 H new ATOM 0 HH21 ARG S 97 26.510 -19.434 6.966 1.00 0.00 H new ATOM 0 HH22 ARG S 97 25.312 -20.478 7.739 1.00 0.00 H new ATOM 3205 N GLN S 98 33.439 -16.999 8.538 1.00 0.00 N ATOM 3206 CA GLN S 98 34.860 -16.640 8.388 1.00 0.00 C ATOM 3207 C GLN S 98 35.310 -15.753 9.539 1.00 0.00 C ATOM 3208 O GLN S 98 36.239 -16.079 10.252 1.00 0.00 O ATOM 3209 CB GLN S 98 34.988 -15.860 7.082 1.00 0.00 C ATOM 3210 CG GLN S 98 34.705 -16.796 5.909 1.00 0.00 C ATOM 3211 CD GLN S 98 35.966 -17.595 5.577 1.00 0.00 C ATOM 3212 OE1 GLN S 98 37.053 -17.057 5.508 1.00 0.00 O ATOM 3213 NE2 GLN S 98 35.867 -18.877 5.364 1.00 0.00 N ATOM 0 H GLN S 98 32.838 -16.734 7.757 1.00 0.00 H new ATOM 0 HA GLN S 98 35.478 -17.538 8.385 1.00 0.00 H new ATOM 0 HB2 GLN S 98 34.288 -15.024 7.073 1.00 0.00 H new ATOM 0 HB3 GLN S 98 35.989 -15.438 6.993 1.00 0.00 H new ATOM 0 HG2 GLN S 98 33.888 -17.473 6.159 1.00 0.00 H new ATOM 0 HG3 GLN S 98 34.387 -16.221 5.040 1.00 0.00 H new ATOM 0 HE21 GLN S 98 34.957 -19.335 5.420 1.00 0.00 H new ATOM 0 HE22 GLN S 98 36.699 -19.423 5.141 1.00 0.00 H new ATOM 3222 N TRP S 99 34.642 -14.640 9.704 1.00 0.00 N ATOM 3223 CA TRP S 99 35.036 -13.732 10.815 1.00 0.00 C ATOM 3224 C TRP S 99 34.492 -14.207 12.151 1.00 0.00 C ATOM 3225 O TRP S 99 35.216 -14.359 13.114 1.00 0.00 O ATOM 3226 CB TRP S 99 34.460 -12.328 10.610 1.00 0.00 C ATOM 3227 CG TRP S 99 34.965 -11.509 11.769 1.00 0.00 C ATOM 3228 CD1 TRP S 99 36.267 -11.290 12.040 1.00 0.00 C ATOM 3229 CD2 TRP S 99 34.198 -10.877 12.638 1.00 0.00 C ATOM 3230 NE1 TRP S 99 36.230 -10.495 13.095 1.00 0.00 N ATOM 3231 CE2 TRP S 99 34.991 -10.183 13.525 1.00 0.00 C ATOM 3232 CE3 TRP S 99 32.818 -10.798 12.747 1.00 0.00 C ATOM 3233 CZ2 TRP S 99 34.427 -9.416 14.489 1.00 0.00 C ATOM 3234 CZ3 TRP S 99 32.263 -10.016 13.719 1.00 0.00 C ATOM 3235 CH2 TRP S 99 33.075 -9.321 14.581 1.00 0.00 C ATOM 0 H TRP S 99 33.858 -14.328 9.130 1.00 0.00 H new ATOM 0 HA TRP S 99 36.126 -13.725 10.816 1.00 0.00 H new ATOM 0 HB2 TRP S 99 34.787 -11.905 9.660 1.00 0.00 H new ATOM 0 HB3 TRP S 99 33.370 -12.350 10.591 1.00 0.00 H new ATOM 0 HD1 TRP S 99 37.133 -11.672 11.520 1.00 0.00 H new ATOM 0 HE1 TRP S 99 37.074 -10.145 13.549 1.00 0.00 H new ATOM 0 HE3 TRP S 99 32.186 -11.351 12.068 1.00 0.00 H new ATOM 0 HZ2 TRP S 99 35.054 -8.879 15.186 1.00 0.00 H new ATOM 0 HZ3 TRP S 99 31.189 -9.944 13.810 1.00 0.00 H new ATOM 0 HH2 TRP S 99 32.634 -8.692 15.340 1.00 0.00 H new ATOM 3246 N LEU S 100 33.207 -14.367 12.195 1.00 0.00 N ATOM 3247 CA LEU S 100 32.566 -14.826 13.446 1.00 0.00 C ATOM 3248 C LEU S 100 33.396 -15.892 14.169 1.00 0.00 C ATOM 3249 O LEU S 100 33.334 -16.009 15.375 1.00 0.00 O ATOM 3250 CB LEU S 100 31.193 -15.367 13.090 1.00 0.00 C ATOM 3251 CG LEU S 100 30.249 -15.085 14.257 1.00 0.00 C ATOM 3252 CD1 LEU S 100 29.810 -13.617 14.231 1.00 0.00 C ATOM 3253 CD2 LEU S 100 29.019 -15.964 14.120 1.00 0.00 C ATOM 0 H LEU S 100 32.571 -14.199 11.416 1.00 0.00 H new ATOM 0 HA LEU S 100 32.486 -13.986 14.136 1.00 0.00 H new ATOM 0 HB2 LEU S 100 30.823 -14.895 12.180 1.00 0.00 H new ATOM 0 HB3 LEU S 100 31.246 -16.438 12.895 1.00 0.00 H new ATOM 0 HG LEU S 100 30.764 -15.294 15.195 1.00 0.00 H new ATOM 0 HD11 LEU S 100 29.137 -13.424 15.066 1.00 0.00 H new ATOM 0 HD12 LEU S 100 30.686 -12.974 14.314 1.00 0.00 H new ATOM 0 HD13 LEU S 100 29.294 -13.408 13.294 1.00 0.00 H new ATOM 0 HD21 LEU S 100 28.339 -15.770 14.949 1.00 0.00 H new ATOM 0 HD22 LEU S 100 28.516 -15.742 13.179 1.00 0.00 H new ATOM 0 HD23 LEU S 100 29.318 -17.012 14.134 1.00 0.00 H new ATOM 3265 N GLU S 101 34.145 -16.662 13.425 1.00 0.00 N ATOM 3266 CA GLU S 101 34.973 -17.712 14.075 1.00 0.00 C ATOM 3267 C GLU S 101 36.049 -17.077 14.961 1.00 0.00 C ATOM 3268 O GLU S 101 36.423 -17.619 15.982 1.00 0.00 O ATOM 3269 CB GLU S 101 35.661 -18.514 12.965 1.00 0.00 C ATOM 3270 CG GLU S 101 34.971 -19.872 12.821 1.00 0.00 C ATOM 3271 CD GLU S 101 35.555 -20.614 11.617 1.00 0.00 C ATOM 3272 OE1 GLU S 101 36.744 -20.886 11.674 1.00 0.00 O ATOM 3273 OE2 GLU S 101 34.780 -20.868 10.711 1.00 0.00 O ATOM 0 H GLU S 101 34.218 -16.609 12.409 1.00 0.00 H new ATOM 0 HA GLU S 101 34.341 -18.347 14.695 1.00 0.00 H new ATOM 0 HB2 GLU S 101 35.614 -17.968 12.023 1.00 0.00 H new ATOM 0 HB3 GLU S 101 36.716 -18.652 13.201 1.00 0.00 H new ATOM 0 HG2 GLU S 101 35.110 -20.461 13.728 1.00 0.00 H new ATOM 0 HG3 GLU S 101 33.897 -19.735 12.692 1.00 0.00 H new ATOM 3280 N GLU S 102 36.517 -15.938 14.537 1.00 0.00 N ATOM 3281 CA GLU S 102 37.567 -15.218 15.306 1.00 0.00 C ATOM 3282 C GLU S 102 36.986 -14.285 16.377 1.00 0.00 C ATOM 3283 O GLU S 102 37.698 -13.874 17.272 1.00 0.00 O ATOM 3284 CB GLU S 102 38.352 -14.354 14.306 1.00 0.00 C ATOM 3285 CG GLU S 102 38.636 -15.171 13.044 1.00 0.00 C ATOM 3286 CD GLU S 102 39.643 -14.416 12.175 1.00 0.00 C ATOM 3287 OE1 GLU S 102 40.038 -13.346 12.610 1.00 0.00 O ATOM 3288 OE2 GLU S 102 39.962 -14.950 11.124 1.00 0.00 O ATOM 0 H GLU S 102 36.214 -15.471 13.682 1.00 0.00 H new ATOM 0 HA GLU S 102 38.186 -15.958 15.813 1.00 0.00 H new ATOM 0 HB2 GLU S 102 37.781 -13.460 14.054 1.00 0.00 H new ATOM 0 HB3 GLU S 102 39.287 -14.019 14.754 1.00 0.00 H new ATOM 0 HG2 GLU S 102 39.031 -16.151 13.312 1.00 0.00 H new ATOM 0 HG3 GLU S 102 37.713 -15.340 12.490 1.00 0.00 H new ATOM 3295 N VAL S 103 35.719 -13.966 16.281 1.00 0.00 N ATOM 3296 CA VAL S 103 35.130 -13.052 17.312 1.00 0.00 C ATOM 3297 C VAL S 103 34.479 -13.767 18.506 1.00 0.00 C ATOM 3298 O VAL S 103 34.437 -13.205 19.583 1.00 0.00 O ATOM 3299 CB VAL S 103 34.062 -12.181 16.634 1.00 0.00 C ATOM 3300 CG1 VAL S 103 32.718 -12.916 16.625 1.00 0.00 C ATOM 3301 CG2 VAL S 103 33.906 -10.881 17.421 1.00 0.00 C ATOM 0 H VAL S 103 35.080 -14.288 15.554 1.00 0.00 H new ATOM 0 HA VAL S 103 35.960 -12.471 17.715 1.00 0.00 H new ATOM 0 HB VAL S 103 34.368 -11.970 15.609 1.00 0.00 H new ATOM 0 HG11 VAL S 103 31.965 -12.292 16.143 1.00 0.00 H new ATOM 0 HG12 VAL S 103 32.819 -13.852 16.076 1.00 0.00 H new ATOM 0 HG13 VAL S 103 32.412 -13.127 17.650 1.00 0.00 H new ATOM 0 HG21 VAL S 103 33.149 -10.257 16.946 1.00 0.00 H new ATOM 0 HG22 VAL S 103 33.600 -11.108 18.442 1.00 0.00 H new ATOM 0 HG23 VAL S 103 34.857 -10.349 17.437 1.00 0.00 H new ATOM 3311 N LEU S 104 33.989 -14.969 18.313 1.00 0.00 N ATOM 3312 CA LEU S 104 33.343 -15.686 19.465 1.00 0.00 C ATOM 3313 C LEU S 104 34.106 -16.933 19.920 1.00 0.00 C ATOM 3314 O LEU S 104 34.374 -17.090 21.095 1.00 0.00 O ATOM 3315 CB LEU S 104 31.937 -16.123 19.025 1.00 0.00 C ATOM 3316 CG LEU S 104 30.889 -15.167 19.612 1.00 0.00 C ATOM 3317 CD1 LEU S 104 29.618 -15.228 18.764 1.00 0.00 C ATOM 3318 CD2 LEU S 104 30.555 -15.603 21.040 1.00 0.00 C ATOM 0 H LEU S 104 34.006 -15.478 17.429 1.00 0.00 H new ATOM 0 HA LEU S 104 33.328 -14.994 20.307 1.00 0.00 H new ATOM 0 HB2 LEU S 104 31.871 -16.126 17.937 1.00 0.00 H new ATOM 0 HB3 LEU S 104 31.741 -17.142 19.359 1.00 0.00 H new ATOM 0 HG LEU S 104 31.283 -14.151 19.616 1.00 0.00 H new ATOM 0 HD11 LEU S 104 28.871 -14.550 19.178 1.00 0.00 H new ATOM 0 HD12 LEU S 104 29.849 -14.932 17.741 1.00 0.00 H new ATOM 0 HD13 LEU S 104 29.226 -16.245 18.768 1.00 0.00 H new ATOM 0 HD21 LEU S 104 29.811 -14.927 21.462 1.00 0.00 H new ATOM 0 HD22 LEU S 104 30.158 -16.618 21.027 1.00 0.00 H new ATOM 0 HD23 LEU S 104 31.458 -15.575 21.650 1.00 0.00 H new ATOM 3330 N LEU S 105 34.432 -17.801 19.000 1.00 0.00 N ATOM 3331 CA LEU S 105 35.173 -19.034 19.393 1.00 0.00 C ATOM 3332 C LEU S 105 36.272 -18.724 20.407 1.00 0.00 C ATOM 3333 O LEU S 105 36.139 -19.026 21.577 1.00 0.00 O ATOM 3334 CB LEU S 105 35.805 -19.651 18.140 1.00 0.00 C ATOM 3335 CG LEU S 105 36.236 -21.085 18.451 1.00 0.00 C ATOM 3336 CD1 LEU S 105 35.114 -22.051 18.063 1.00 0.00 C ATOM 3337 CD2 LEU S 105 37.487 -21.419 17.637 1.00 0.00 C ATOM 0 H LEU S 105 34.221 -17.712 18.006 1.00 0.00 H new ATOM 0 HA LEU S 105 34.470 -19.728 19.854 1.00 0.00 H new ATOM 0 HB2 LEU S 105 35.091 -19.643 17.316 1.00 0.00 H new ATOM 0 HB3 LEU S 105 36.664 -19.060 17.823 1.00 0.00 H new ATOM 0 HG LEU S 105 36.448 -21.180 19.516 1.00 0.00 H new ATOM 0 HD11 LEU S 105 35.421 -23.073 18.285 1.00 0.00 H new ATOM 0 HD12 LEU S 105 34.215 -21.811 18.631 1.00 0.00 H new ATOM 0 HD13 LEU S 105 34.906 -21.958 16.997 1.00 0.00 H new ATOM 0 HD21 LEU S 105 37.800 -22.440 17.854 1.00 0.00 H new ATOM 0 HD22 LEU S 105 37.265 -21.325 16.574 1.00 0.00 H new ATOM 0 HD23 LEU S 105 38.289 -20.730 17.902 1.00 0.00 H new