USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 1002 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : R 16 HIS : no HD1:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : R 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : R 27 LYS NZ :NH3+ 170:sc= -1.89! (180deg=-2.21) USER MOD Single : R 28 ASN : amide:sc=-0.000562 X(o=-0.00056,f=0) USER MOD Single : R 30 TYR OH : rot 180:sc= 0 USER MOD Single : R 31 GLN : amide:sc= -0.0459 X(o=-0.046,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= -2.67! C(o=-2.7!,f=-6.9!) USER MOD Single : R 40 ASN : amide:sc= -4.7! K(o=-4.7!,f=-0.47) USER MOD Single : R 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : R 44 THR OG1 : rot -115:sc= 1.13 USER MOD Single : R 53 THR OG1 : rot -106:sc= 0.364 USER MOD Single : R 98 GLN : amide:sc= -0.0723 K(o=-0.072,f=-2.1!) USER MOD Single : S 16 HIS : no HD1:sc= -2.21! K(o=-2.2!,f=-1.1) USER MOD Single : S 17 GLN : amide:sc=-0.00603 X(o=-0.006,f=0) USER MOD Single : S 27 LYS NZ :NH3+ 163:sc= -0.052 (180deg=-0.471) USER MOD Single : S 28 ASN : amide:sc= -0.032 X(o=-0.032,f=-0.29) USER MOD Single : S 30 TYR OH : rot 180:sc= -0.233 USER MOD Single : S 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 32 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : S 35 HIS : no HD1:sc= -5.34! C(o=-5.3!,f=-9.2!) USER MOD Single : S 40 ASN : amide:sc= -6.32! C(o=-6.3!,f=-5.7!) USER MOD Single : S 42 MET CE :methyl -162:sc= -0.0861 (180deg=-0.265) USER MOD Single : S 44 THR OG1 : rot 180:sc= -1.26! USER MOD Single : S 53 THR OG1 : rot 113:sc= 0.409 USER MOD Single : S 98 GLN : amide:sc= -1.88 K(o=-1.9,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 180 N HIS R 16 24.581 -0.816 30.354 1.00 0.00 N ATOM 181 CA HIS R 16 25.449 -0.535 29.176 1.00 0.00 C ATOM 182 C HIS R 16 26.635 -1.495 29.099 1.00 0.00 C ATOM 183 O HIS R 16 27.717 -1.114 28.704 1.00 0.00 O ATOM 184 CB HIS R 16 25.983 0.895 29.310 1.00 0.00 C ATOM 185 CG HIS R 16 24.947 1.742 30.051 1.00 0.00 C ATOM 186 ND1 HIS R 16 25.175 2.426 31.092 1.00 0.00 N ATOM 187 CD2 HIS R 16 23.606 1.938 29.780 1.00 0.00 C ATOM 188 CE1 HIS R 16 24.111 3.017 31.486 1.00 0.00 C ATOM 189 NE2 HIS R 16 23.074 2.756 30.704 1.00 0.00 N ATOM 0 HA HIS R 16 24.856 -0.662 28.270 1.00 0.00 H new ATOM 0 HB2 HIS R 16 26.928 0.895 29.853 1.00 0.00 H new ATOM 0 HB3 HIS R 16 26.181 1.318 28.325 1.00 0.00 H new ATOM 0 HD2 HIS R 16 23.068 1.501 28.952 1.00 0.00 H new ATOM 0 HE1 HIS R 16 24.064 3.655 32.356 1.00 0.00 H new ATOM 0 HE2 HIS R 16 22.114 3.091 30.783 1.00 0.00 H new ATOM 197 N GLN R 17 26.416 -2.723 29.478 1.00 0.00 N ATOM 198 CA GLN R 17 27.533 -3.705 29.426 1.00 0.00 C ATOM 199 C GLN R 17 27.595 -4.393 28.059 1.00 0.00 C ATOM 200 O GLN R 17 28.614 -4.942 27.688 1.00 0.00 O ATOM 201 CB GLN R 17 27.300 -4.768 30.507 1.00 0.00 C ATOM 202 CG GLN R 17 25.865 -5.288 30.407 1.00 0.00 C ATOM 203 CD GLN R 17 25.759 -6.625 31.144 1.00 0.00 C ATOM 204 OE1 GLN R 17 25.276 -7.604 30.611 1.00 0.00 O ATOM 205 NE2 GLN R 17 26.203 -6.709 32.368 1.00 0.00 N ATOM 0 H GLN R 17 25.525 -3.085 29.817 1.00 0.00 H new ATOM 0 HA GLN R 17 28.473 -3.179 29.593 1.00 0.00 H new ATOM 0 HB2 GLN R 17 28.006 -5.589 30.383 1.00 0.00 H new ATOM 0 HB3 GLN R 17 27.476 -4.343 31.495 1.00 0.00 H new ATOM 0 HG2 GLN R 17 25.173 -4.565 30.840 1.00 0.00 H new ATOM 0 HG3 GLN R 17 25.583 -5.413 29.361 1.00 0.00 H new ATOM 0 HE21 GLN R 17 26.610 -5.890 32.820 1.00 0.00 H new ATOM 0 HE22 GLN R 17 26.144 -7.594 32.872 1.00 0.00 H new ATOM 214 N GLU R 18 26.504 -4.342 27.337 1.00 0.00 N ATOM 215 CA GLU R 18 26.473 -4.985 25.992 1.00 0.00 C ATOM 216 C GLU R 18 26.573 -3.935 24.883 1.00 0.00 C ATOM 217 O GLU R 18 27.277 -4.117 23.909 1.00 0.00 O ATOM 218 CB GLU R 18 25.135 -5.727 25.850 1.00 0.00 C ATOM 219 CG GLU R 18 24.824 -5.932 24.366 1.00 0.00 C ATOM 220 CD GLU R 18 23.806 -7.065 24.213 1.00 0.00 C ATOM 221 OE1 GLU R 18 23.268 -7.453 25.238 1.00 0.00 O ATOM 222 OE2 GLU R 18 23.622 -7.477 23.080 1.00 0.00 O ATOM 0 H GLU R 18 25.638 -3.884 27.621 1.00 0.00 H new ATOM 0 HA GLU R 18 27.318 -5.668 25.901 1.00 0.00 H new ATOM 0 HB2 GLU R 18 25.184 -6.690 26.359 1.00 0.00 H new ATOM 0 HB3 GLU R 18 24.337 -5.156 26.325 1.00 0.00 H new ATOM 0 HG2 GLU R 18 24.429 -5.012 23.935 1.00 0.00 H new ATOM 0 HG3 GLU R 18 25.737 -6.172 23.821 1.00 0.00 H new ATOM 229 N TRP R 19 25.858 -2.856 25.064 1.00 0.00 N ATOM 230 CA TRP R 19 25.871 -1.763 24.049 1.00 0.00 C ATOM 231 C TRP R 19 27.291 -1.358 23.639 1.00 0.00 C ATOM 232 O TRP R 19 27.468 -0.669 22.655 1.00 0.00 O ATOM 233 CB TRP R 19 25.163 -0.554 24.666 1.00 0.00 C ATOM 234 CG TRP R 19 25.578 0.702 23.912 1.00 0.00 C ATOM 235 CD1 TRP R 19 26.398 1.649 24.396 1.00 0.00 C ATOM 236 CD2 TRP R 19 25.221 0.994 22.665 1.00 0.00 C ATOM 237 NE1 TRP R 19 26.515 2.507 23.383 1.00 0.00 N ATOM 238 CE2 TRP R 19 25.819 2.174 22.268 1.00 0.00 C ATOM 239 CE3 TRP R 19 24.389 0.314 21.789 1.00 0.00 C ATOM 240 CZ2 TRP R 19 25.592 2.674 21.006 1.00 0.00 C ATOM 241 CZ3 TRP R 19 24.164 0.818 20.525 1.00 0.00 C ATOM 242 CH2 TRP R 19 24.762 1.999 20.137 1.00 0.00 C ATOM 0 H TRP R 19 25.263 -2.685 25.875 1.00 0.00 H new ATOM 0 HA TRP R 19 25.369 -2.117 23.149 1.00 0.00 H new ATOM 0 HB2 TRP R 19 24.082 -0.684 24.614 1.00 0.00 H new ATOM 0 HB3 TRP R 19 25.423 -0.463 25.721 1.00 0.00 H new ATOM 0 HD1 TRP R 19 26.854 1.703 25.374 1.00 0.00 H new ATOM 0 HE1 TRP R 19 27.085 3.351 23.442 1.00 0.00 H new ATOM 0 HE3 TRP R 19 23.918 -0.608 22.096 1.00 0.00 H new ATOM 0 HZ2 TRP R 19 26.064 3.595 20.697 1.00 0.00 H new ATOM 0 HZ3 TRP R 19 23.520 0.288 19.839 1.00 0.00 H new ATOM 0 HH2 TRP R 19 24.579 2.396 19.149 1.00 0.00 H new ATOM 253 N LEU R 20 28.269 -1.788 24.395 1.00 0.00 N ATOM 254 CA LEU R 20 29.681 -1.430 24.051 1.00 0.00 C ATOM 255 C LEU R 20 30.488 -2.666 23.663 1.00 0.00 C ATOM 256 O LEU R 20 30.913 -2.813 22.533 1.00 0.00 O ATOM 257 CB LEU R 20 30.348 -0.801 25.287 1.00 0.00 C ATOM 258 CG LEU R 20 29.521 0.387 25.802 1.00 0.00 C ATOM 259 CD1 LEU R 20 30.004 0.760 27.214 1.00 0.00 C ATOM 260 CD2 LEU R 20 29.708 1.592 24.866 1.00 0.00 C ATOM 0 H LEU R 20 28.155 -2.366 25.228 1.00 0.00 H new ATOM 0 HA LEU R 20 29.661 -0.738 23.209 1.00 0.00 H new ATOM 0 HB2 LEU R 20 30.448 -1.549 26.073 1.00 0.00 H new ATOM 0 HB3 LEU R 20 31.354 -0.468 25.034 1.00 0.00 H new ATOM 0 HG LEU R 20 28.466 0.113 25.830 1.00 0.00 H new ATOM 0 HD11 LEU R 20 29.422 1.603 27.587 1.00 0.00 H new ATOM 0 HD12 LEU R 20 29.875 -0.093 27.880 1.00 0.00 H new ATOM 0 HD13 LEU R 20 31.058 1.035 27.177 1.00 0.00 H new ATOM 0 HD21 LEU R 20 29.120 2.433 25.234 1.00 0.00 H new ATOM 0 HD22 LEU R 20 30.761 1.870 24.837 1.00 0.00 H new ATOM 0 HD23 LEU R 20 29.375 1.328 23.862 1.00 0.00 H new ATOM 272 N ARG R 21 30.681 -3.525 24.620 1.00 0.00 N ATOM 273 CA ARG R 21 31.456 -4.771 24.375 1.00 0.00 C ATOM 274 C ARG R 21 31.219 -5.372 22.986 1.00 0.00 C ATOM 275 O ARG R 21 32.159 -5.763 22.321 1.00 0.00 O ATOM 276 CB ARG R 21 31.037 -5.798 25.427 1.00 0.00 C ATOM 277 CG ARG R 21 32.207 -6.745 25.675 1.00 0.00 C ATOM 278 CD ARG R 21 31.758 -7.861 26.616 1.00 0.00 C ATOM 279 NE ARG R 21 31.320 -9.029 25.806 1.00 0.00 N ATOM 280 CZ ARG R 21 31.119 -10.175 26.392 1.00 0.00 C ATOM 281 NH1 ARG R 21 30.029 -10.341 27.091 1.00 0.00 N ATOM 282 NH2 ARG R 21 32.017 -11.113 26.269 1.00 0.00 N ATOM 0 H ARG R 21 30.332 -3.417 25.572 1.00 0.00 H new ATOM 0 HA ARG R 21 32.515 -4.518 24.435 1.00 0.00 H new ATOM 0 HB2 ARG R 21 30.753 -5.297 26.353 1.00 0.00 H new ATOM 0 HB3 ARG R 21 30.165 -6.355 25.085 1.00 0.00 H new ATOM 0 HG2 ARG R 21 32.556 -7.166 24.732 1.00 0.00 H new ATOM 0 HG3 ARG R 21 33.045 -6.201 26.110 1.00 0.00 H new ATOM 0 HD2 ARG R 21 32.575 -8.147 27.278 1.00 0.00 H new ATOM 0 HD3 ARG R 21 30.941 -7.514 27.249 1.00 0.00 H new ATOM 0 HE ARG R 21 31.178 -8.934 24.800 1.00 0.00 H new ATOM 0 HH11 ARG R 21 29.353 -9.581 27.171 1.00 0.00 H new ATOM 0 HH12 ARG R 21 29.853 -11.231 27.558 1.00 0.00 H new ATOM 0 HH21 ARG R 21 32.860 -10.943 25.721 1.00 0.00 H new ATOM 0 HH22 ARG R 21 31.876 -12.016 26.721 1.00 0.00 H new ATOM 296 N PHE R 22 29.986 -5.448 22.563 1.00 0.00 N ATOM 297 CA PHE R 22 29.731 -6.031 21.216 1.00 0.00 C ATOM 298 C PHE R 22 29.956 -4.997 20.121 1.00 0.00 C ATOM 299 O PHE R 22 30.584 -5.277 19.115 1.00 0.00 O ATOM 300 CB PHE R 22 28.286 -6.533 21.167 1.00 0.00 C ATOM 301 CG PHE R 22 28.153 -7.711 22.138 1.00 0.00 C ATOM 302 CD1 PHE R 22 28.078 -7.484 23.498 1.00 0.00 C ATOM 303 CD2 PHE R 22 28.143 -9.012 21.670 1.00 0.00 C ATOM 304 CE1 PHE R 22 27.996 -8.542 24.381 1.00 0.00 C ATOM 305 CE2 PHE R 22 28.058 -10.070 22.553 1.00 0.00 C ATOM 306 CZ PHE R 22 27.986 -9.835 23.908 1.00 0.00 C ATOM 0 H PHE R 22 29.162 -5.139 23.078 1.00 0.00 H new ATOM 0 HA PHE R 22 30.425 -6.855 21.046 1.00 0.00 H new ATOM 0 HB2 PHE R 22 27.597 -5.734 21.442 1.00 0.00 H new ATOM 0 HB3 PHE R 22 28.026 -6.844 20.155 1.00 0.00 H new ATOM 0 HD1 PHE R 22 28.084 -6.471 23.874 1.00 0.00 H new ATOM 0 HD2 PHE R 22 28.202 -9.202 20.608 1.00 0.00 H new ATOM 0 HE1 PHE R 22 27.940 -8.355 25.443 1.00 0.00 H new ATOM 0 HE2 PHE R 22 28.048 -11.084 22.180 1.00 0.00 H new ATOM 0 HZ PHE R 22 27.922 -10.663 24.598 1.00 0.00 H new ATOM 316 N VAL R 23 29.439 -3.821 20.317 1.00 0.00 N ATOM 317 CA VAL R 23 29.638 -2.787 19.279 1.00 0.00 C ATOM 318 C VAL R 23 31.135 -2.625 19.018 1.00 0.00 C ATOM 319 O VAL R 23 31.538 -2.054 18.024 1.00 0.00 O ATOM 320 CB VAL R 23 29.060 -1.459 19.786 1.00 0.00 C ATOM 321 CG1 VAL R 23 29.643 -0.316 18.959 1.00 0.00 C ATOM 322 CG2 VAL R 23 27.537 -1.475 19.611 1.00 0.00 C ATOM 0 H VAL R 23 28.898 -3.537 21.134 1.00 0.00 H new ATOM 0 HA VAL R 23 29.136 -3.078 18.356 1.00 0.00 H new ATOM 0 HB VAL R 23 29.310 -1.323 20.838 1.00 0.00 H new ATOM 0 HG11 VAL R 23 29.238 0.632 19.312 1.00 0.00 H new ATOM 0 HG12 VAL R 23 30.728 -0.308 19.063 1.00 0.00 H new ATOM 0 HG13 VAL R 23 29.380 -0.455 17.910 1.00 0.00 H new ATOM 0 HG21 VAL R 23 27.120 -0.534 19.969 1.00 0.00 H new ATOM 0 HG22 VAL R 23 27.293 -1.602 18.556 1.00 0.00 H new ATOM 0 HG23 VAL R 23 27.114 -2.301 20.183 1.00 0.00 H new ATOM 332 N ASP R 24 31.930 -3.135 19.928 1.00 0.00 N ATOM 333 CA ASP R 24 33.407 -3.033 19.763 1.00 0.00 C ATOM 334 C ASP R 24 33.894 -4.105 18.797 1.00 0.00 C ATOM 335 O ASP R 24 34.934 -3.977 18.187 1.00 0.00 O ATOM 336 CB ASP R 24 34.073 -3.251 21.126 1.00 0.00 C ATOM 337 CG ASP R 24 33.705 -2.091 22.053 1.00 0.00 C ATOM 338 OD1 ASP R 24 33.588 -0.997 21.527 1.00 0.00 O ATOM 339 OD2 ASP R 24 33.559 -2.365 23.233 1.00 0.00 O ATOM 0 H ASP R 24 31.618 -3.614 20.773 1.00 0.00 H new ATOM 0 HA ASP R 24 33.662 -2.049 19.369 1.00 0.00 H new ATOM 0 HB2 ASP R 24 33.745 -4.196 21.558 1.00 0.00 H new ATOM 0 HB3 ASP R 24 35.155 -3.312 21.011 1.00 0.00 H new ATOM 344 N LEU R 25 33.141 -5.163 18.705 1.00 0.00 N ATOM 345 CA LEU R 25 33.531 -6.253 17.785 1.00 0.00 C ATOM 346 C LEU R 25 33.090 -5.869 16.372 1.00 0.00 C ATOM 347 O LEU R 25 33.591 -6.370 15.382 1.00 0.00 O ATOM 348 CB LEU R 25 32.818 -7.537 18.230 1.00 0.00 C ATOM 349 CG LEU R 25 33.179 -7.818 19.694 1.00 0.00 C ATOM 350 CD1 LEU R 25 32.439 -9.069 20.171 1.00 0.00 C ATOM 351 CD2 LEU R 25 34.689 -8.052 19.815 1.00 0.00 C ATOM 0 H LEU R 25 32.277 -5.316 19.226 1.00 0.00 H new ATOM 0 HA LEU R 25 34.609 -6.414 17.798 1.00 0.00 H new ATOM 0 HB2 LEU R 25 31.739 -7.427 18.121 1.00 0.00 H new ATOM 0 HB3 LEU R 25 33.118 -8.374 17.599 1.00 0.00 H new ATOM 0 HG LEU R 25 32.890 -6.963 20.306 1.00 0.00 H new ATOM 0 HD11 LEU R 25 32.695 -9.269 21.211 1.00 0.00 H new ATOM 0 HD12 LEU R 25 31.364 -8.910 20.086 1.00 0.00 H new ATOM 0 HD13 LEU R 25 32.730 -9.920 19.556 1.00 0.00 H new ATOM 0 HD21 LEU R 25 34.944 -8.252 20.856 1.00 0.00 H new ATOM 0 HD22 LEU R 25 34.975 -8.906 19.201 1.00 0.00 H new ATOM 0 HD23 LEU R 25 35.223 -7.165 19.474 1.00 0.00 H new ATOM 363 N LEU R 26 32.145 -4.972 16.309 1.00 0.00 N ATOM 364 CA LEU R 26 31.653 -4.531 14.980 1.00 0.00 C ATOM 365 C LEU R 26 32.819 -3.970 14.165 1.00 0.00 C ATOM 366 O LEU R 26 33.003 -4.321 13.012 1.00 0.00 O ATOM 367 CB LEU R 26 30.610 -3.414 15.194 1.00 0.00 C ATOM 368 CG LEU R 26 29.330 -3.675 14.377 1.00 0.00 C ATOM 369 CD1 LEU R 26 29.686 -4.047 12.929 1.00 0.00 C ATOM 370 CD2 LEU R 26 28.519 -4.801 15.035 1.00 0.00 C ATOM 0 H LEU R 26 31.698 -4.531 17.113 1.00 0.00 H new ATOM 0 HA LEU R 26 31.209 -5.373 14.448 1.00 0.00 H new ATOM 0 HB2 LEU R 26 30.360 -3.346 16.253 1.00 0.00 H new ATOM 0 HB3 LEU R 26 31.038 -2.454 14.905 1.00 0.00 H new ATOM 0 HG LEU R 26 28.728 -2.767 14.358 1.00 0.00 H new ATOM 0 HD11 LEU R 26 28.771 -4.228 12.365 1.00 0.00 H new ATOM 0 HD12 LEU R 26 30.240 -3.229 12.469 1.00 0.00 H new ATOM 0 HD13 LEU R 26 30.299 -4.948 12.925 1.00 0.00 H new ATOM 0 HD21 LEU R 26 27.614 -4.984 14.456 1.00 0.00 H new ATOM 0 HD22 LEU R 26 29.119 -5.710 15.068 1.00 0.00 H new ATOM 0 HD23 LEU R 26 28.247 -4.509 16.049 1.00 0.00 H new ATOM 382 N LYS R 27 33.593 -3.107 14.774 1.00 0.00 N ATOM 383 CA LYS R 27 34.742 -2.533 14.024 1.00 0.00 C ATOM 384 C LYS R 27 35.727 -3.634 13.647 1.00 0.00 C ATOM 385 O LYS R 27 36.298 -3.613 12.575 1.00 0.00 O ATOM 386 CB LYS R 27 35.503 -1.484 14.864 1.00 0.00 C ATOM 387 CG LYS R 27 34.855 -1.287 16.238 1.00 0.00 C ATOM 388 CD LYS R 27 35.796 -0.444 17.104 1.00 0.00 C ATOM 389 CE LYS R 27 36.667 -1.367 17.964 1.00 0.00 C ATOM 390 NZ LYS R 27 37.094 -2.568 17.191 1.00 0.00 N ATOM 0 H LYS R 27 33.481 -2.783 15.735 1.00 0.00 H new ATOM 0 HA LYS R 27 34.334 -2.056 13.133 1.00 0.00 H new ATOM 0 HB2 LYS R 27 36.539 -1.800 14.991 1.00 0.00 H new ATOM 0 HB3 LYS R 27 35.523 -0.534 14.330 1.00 0.00 H new ATOM 0 HG2 LYS R 27 33.890 -0.791 16.134 1.00 0.00 H new ATOM 0 HG3 LYS R 27 34.668 -2.251 16.710 1.00 0.00 H new ATOM 0 HD2 LYS R 27 36.426 0.182 16.472 1.00 0.00 H new ATOM 0 HD3 LYS R 27 35.218 0.226 17.741 1.00 0.00 H new ATOM 0 HE2 LYS R 27 37.545 -0.824 18.314 1.00 0.00 H new ATOM 0 HE3 LYS R 27 36.111 -1.678 18.849 1.00 0.00 H new ATOM 0 HZ1 LYS R 27 37.814 -3.090 17.730 1.00 0.00 H new ATOM 0 HZ2 LYS R 27 36.273 -3.184 17.024 1.00 0.00 H new ATOM 0 HZ3 LYS R 27 37.494 -2.269 16.278 1.00 0.00 H new ATOM 404 N ASN R 28 35.916 -4.583 14.530 1.00 0.00 N ATOM 405 CA ASN R 28 36.869 -5.674 14.200 1.00 0.00 C ATOM 406 C ASN R 28 36.590 -6.204 12.804 1.00 0.00 C ATOM 407 O ASN R 28 37.479 -6.286 11.980 1.00 0.00 O ATOM 408 CB ASN R 28 36.730 -6.818 15.206 1.00 0.00 C ATOM 409 CG ASN R 28 37.854 -6.723 16.240 1.00 0.00 C ATOM 410 OD1 ASN R 28 38.969 -7.136 15.996 1.00 0.00 O ATOM 411 ND2 ASN R 28 37.604 -6.186 17.402 1.00 0.00 N ATOM 0 H ASN R 28 35.462 -4.646 15.441 1.00 0.00 H new ATOM 0 HA ASN R 28 37.882 -5.273 14.243 1.00 0.00 H new ATOM 0 HB2 ASN R 28 35.760 -6.766 15.701 1.00 0.00 H new ATOM 0 HB3 ASN R 28 36.774 -7.778 14.691 1.00 0.00 H new ATOM 0 HD21 ASN R 28 38.344 -6.115 18.101 1.00 0.00 H new ATOM 0 HD22 ASN R 28 36.669 -5.837 17.612 1.00 0.00 H new ATOM 418 N ALA R 29 35.362 -6.571 12.561 1.00 0.00 N ATOM 419 CA ALA R 29 35.032 -7.094 11.210 1.00 0.00 C ATOM 420 C ALA R 29 35.318 -6.043 10.141 1.00 0.00 C ATOM 421 O ALA R 29 35.848 -6.355 9.100 1.00 0.00 O ATOM 422 CB ALA R 29 33.548 -7.463 11.182 1.00 0.00 C ATOM 0 H ALA R 29 34.589 -6.532 13.225 1.00 0.00 H new ATOM 0 HA ALA R 29 35.646 -7.970 11.001 1.00 0.00 H new ATOM 0 HB1 ALA R 29 33.288 -7.849 10.197 1.00 0.00 H new ATOM 0 HB2 ALA R 29 33.348 -8.225 11.935 1.00 0.00 H new ATOM 0 HB3 ALA R 29 32.949 -6.578 11.395 1.00 0.00 H new ATOM 428 N TYR R 30 34.970 -4.818 10.389 1.00 0.00 N ATOM 429 CA TYR R 30 35.258 -3.810 9.338 1.00 0.00 C ATOM 430 C TYR R 30 36.713 -3.907 8.929 1.00 0.00 C ATOM 431 O TYR R 30 37.005 -4.475 7.877 1.00 0.00 O ATOM 432 CB TYR R 30 35.021 -2.392 9.885 1.00 0.00 C ATOM 433 CG TYR R 30 33.616 -1.914 9.513 1.00 0.00 C ATOM 434 CD1 TYR R 30 33.364 -1.386 8.263 1.00 0.00 C ATOM 435 CD2 TYR R 30 32.588 -1.979 10.431 1.00 0.00 C ATOM 436 CE1 TYR R 30 32.105 -0.925 7.938 1.00 0.00 C ATOM 437 CE2 TYR R 30 31.326 -1.521 10.105 1.00 0.00 C ATOM 438 CZ TYR R 30 31.075 -0.992 8.855 1.00 0.00 C ATOM 439 OH TYR R 30 29.812 -0.543 8.525 1.00 0.00 O ATOM 0 H TYR R 30 34.517 -4.478 11.237 1.00 0.00 H new ATOM 0 HA TYR R 30 34.602 -4.001 8.489 1.00 0.00 H new ATOM 0 HB2 TYR R 30 35.141 -2.387 10.968 1.00 0.00 H new ATOM 0 HB3 TYR R 30 35.766 -1.708 9.479 1.00 0.00 H new ATOM 0 HD1 TYR R 30 34.159 -1.333 7.534 1.00 0.00 H new ATOM 0 HD2 TYR R 30 32.771 -2.391 11.412 1.00 0.00 H new ATOM 0 HE1 TYR R 30 31.924 -0.508 6.958 1.00 0.00 H new ATOM 0 HE2 TYR R 30 30.530 -1.577 10.833 1.00 0.00 H new ATOM 0 HH TYR R 30 29.211 -0.667 9.289 1.00 0.00 H new ATOM 449 N GLN R 31 37.555 -3.512 9.886 1.00 0.00 N ATOM 450 CA GLN R 31 39.043 -3.499 9.730 1.00 0.00 C ATOM 451 C GLN R 31 39.427 -3.726 8.295 1.00 0.00 C ATOM 452 O GLN R 31 39.907 -2.831 7.627 1.00 0.00 O ATOM 453 CB GLN R 31 39.617 -4.631 10.603 1.00 0.00 C ATOM 454 CG GLN R 31 41.107 -4.385 10.853 1.00 0.00 C ATOM 455 CD GLN R 31 41.293 -3.913 12.297 1.00 0.00 C ATOM 456 OE1 GLN R 31 42.120 -4.423 13.028 1.00 0.00 O ATOM 457 NE2 GLN R 31 40.544 -2.944 12.748 1.00 0.00 N ATOM 0 H GLN R 31 37.241 -3.188 10.801 1.00 0.00 H new ATOM 0 HA GLN R 31 39.439 -2.531 10.037 1.00 0.00 H new ATOM 0 HB2 GLN R 31 39.082 -4.678 11.552 1.00 0.00 H new ATOM 0 HB3 GLN R 31 39.475 -5.592 10.109 1.00 0.00 H new ATOM 0 HG2 GLN R 31 41.675 -5.299 10.678 1.00 0.00 H new ATOM 0 HG3 GLN R 31 41.488 -3.636 10.159 1.00 0.00 H new ATOM 0 HE21 GLN R 31 39.848 -2.512 12.140 1.00 0.00 H new ATOM 0 HE22 GLN R 31 40.654 -2.619 13.708 1.00 0.00 H new ATOM 466 N ASN R 32 39.198 -4.906 7.852 1.00 0.00 N ATOM 467 CA ASN R 32 39.533 -5.222 6.455 1.00 0.00 C ATOM 468 C ASN R 32 38.243 -5.047 5.638 1.00 0.00 C ATOM 469 O ASN R 32 37.955 -3.968 5.159 1.00 0.00 O ATOM 470 CB ASN R 32 40.067 -6.673 6.416 1.00 0.00 C ATOM 471 CG ASN R 32 41.152 -6.780 5.341 1.00 0.00 C ATOM 472 OD1 ASN R 32 40.868 -6.956 4.175 1.00 0.00 O ATOM 473 ND2 ASN R 32 42.405 -6.676 5.691 1.00 0.00 N ATOM 0 H ASN R 32 38.793 -5.670 8.393 1.00 0.00 H new ATOM 0 HA ASN R 32 40.302 -4.573 6.036 1.00 0.00 H new ATOM 0 HB2 ASN R 32 40.473 -6.950 7.389 1.00 0.00 H new ATOM 0 HB3 ASN R 32 39.254 -7.367 6.200 1.00 0.00 H new ATOM 0 HD21 ASN R 32 43.139 -6.743 4.986 1.00 0.00 H new ATOM 0 HD22 ASN R 32 42.650 -6.528 6.670 1.00 0.00 H new ATOM 480 N ASP R 33 37.505 -6.100 5.492 1.00 0.00 N ATOM 481 CA ASP R 33 36.241 -6.039 4.730 1.00 0.00 C ATOM 482 C ASP R 33 35.320 -7.095 5.298 1.00 0.00 C ATOM 483 O ASP R 33 34.408 -7.558 4.644 1.00 0.00 O ATOM 484 CB ASP R 33 36.538 -6.335 3.262 1.00 0.00 C ATOM 485 CG ASP R 33 35.235 -6.425 2.463 1.00 0.00 C ATOM 486 OD1 ASP R 33 34.263 -5.867 2.946 1.00 0.00 O ATOM 487 OD2 ASP R 33 35.287 -7.044 1.411 1.00 0.00 O ATOM 0 H ASP R 33 37.729 -7.018 5.876 1.00 0.00 H new ATOM 0 HA ASP R 33 35.776 -5.056 4.804 1.00 0.00 H new ATOM 0 HB2 ASP R 33 37.173 -5.552 2.848 1.00 0.00 H new ATOM 0 HB3 ASP R 33 37.090 -7.271 3.177 1.00 0.00 H new ATOM 492 N LEU R 34 35.574 -7.457 6.524 1.00 0.00 N ATOM 493 CA LEU R 34 34.725 -8.500 7.143 1.00 0.00 C ATOM 494 C LEU R 34 33.409 -7.974 7.701 1.00 0.00 C ATOM 495 O LEU R 34 32.756 -8.658 8.464 1.00 0.00 O ATOM 496 CB LEU R 34 35.560 -9.161 8.243 1.00 0.00 C ATOM 497 CG LEU R 34 36.318 -10.367 7.657 1.00 0.00 C ATOM 498 CD1 LEU R 34 37.184 -9.908 6.467 1.00 0.00 C ATOM 499 CD2 LEU R 34 37.231 -10.949 8.741 1.00 0.00 C ATOM 0 H LEU R 34 36.319 -7.082 7.111 1.00 0.00 H new ATOM 0 HA LEU R 34 34.431 -9.214 6.373 1.00 0.00 H new ATOM 0 HB2 LEU R 34 36.265 -8.442 8.660 1.00 0.00 H new ATOM 0 HB3 LEU R 34 34.915 -9.485 9.059 1.00 0.00 H new ATOM 0 HG LEU R 34 35.605 -11.118 7.318 1.00 0.00 H new ATOM 0 HD11 LEU R 34 37.719 -10.764 6.055 1.00 0.00 H new ATOM 0 HD12 LEU R 34 36.545 -9.475 5.698 1.00 0.00 H new ATOM 0 HD13 LEU R 34 37.901 -9.161 6.806 1.00 0.00 H new ATOM 0 HD21 LEU R 34 37.774 -11.804 8.339 1.00 0.00 H new ATOM 0 HD22 LEU R 34 37.941 -10.188 9.066 1.00 0.00 H new ATOM 0 HD23 LEU R 34 36.628 -11.269 9.591 1.00 0.00 H new ATOM 511 N HIS R 35 33.029 -6.785 7.313 1.00 0.00 N ATOM 512 CA HIS R 35 31.735 -6.251 7.847 1.00 0.00 C ATOM 513 C HIS R 35 30.578 -6.582 6.909 1.00 0.00 C ATOM 514 O HIS R 35 29.485 -6.853 7.353 1.00 0.00 O ATOM 515 CB HIS R 35 31.797 -4.727 7.993 1.00 0.00 C ATOM 516 CG HIS R 35 32.185 -4.093 6.657 1.00 0.00 C ATOM 517 ND1 HIS R 35 33.173 -4.433 5.943 1.00 0.00 N ATOM 518 CD2 HIS R 35 31.576 -3.067 5.959 1.00 0.00 C ATOM 519 CE1 HIS R 35 33.227 -3.721 4.881 1.00 0.00 C ATOM 520 NE2 HIS R 35 32.247 -2.834 4.823 1.00 0.00 N ATOM 0 H HIS R 35 33.536 -6.176 6.671 1.00 0.00 H new ATOM 0 HA HIS R 35 31.573 -6.718 8.818 1.00 0.00 H new ATOM 0 HB2 HIS R 35 30.830 -4.344 8.320 1.00 0.00 H new ATOM 0 HB3 HIS R 35 32.523 -4.455 8.759 1.00 0.00 H new ATOM 0 HD2 HIS R 35 30.693 -2.534 6.281 1.00 0.00 H new ATOM 0 HE1 HIS R 35 33.985 -3.831 4.120 1.00 0.00 H new ATOM 0 HE2 HIS R 35 32.051 -2.146 4.096 1.00 0.00 H new ATOM 528 N LEU R 36 30.851 -6.590 5.635 1.00 0.00 N ATOM 529 CA LEU R 36 29.774 -6.899 4.654 1.00 0.00 C ATOM 530 C LEU R 36 28.992 -8.190 4.955 1.00 0.00 C ATOM 531 O LEU R 36 27.780 -8.170 4.953 1.00 0.00 O ATOM 532 CB LEU R 36 30.383 -6.997 3.249 1.00 0.00 C ATOM 533 CG LEU R 36 29.662 -6.006 2.325 1.00 0.00 C ATOM 534 CD1 LEU R 36 29.949 -4.567 2.769 1.00 0.00 C ATOM 535 CD2 LEU R 36 30.171 -6.197 0.896 1.00 0.00 C ATOM 0 H LEU R 36 31.768 -6.397 5.232 1.00 0.00 H new ATOM 0 HA LEU R 36 29.055 -6.083 4.726 1.00 0.00 H new ATOM 0 HB2 LEU R 36 31.449 -6.773 3.284 1.00 0.00 H new ATOM 0 HB3 LEU R 36 30.283 -8.012 2.865 1.00 0.00 H new ATOM 0 HG LEU R 36 28.588 -6.188 2.372 1.00 0.00 H new ATOM 0 HD11 LEU R 36 29.433 -3.872 2.107 1.00 0.00 H new ATOM 0 HD12 LEU R 36 29.597 -4.424 3.791 1.00 0.00 H new ATOM 0 HD13 LEU R 36 31.022 -4.380 2.726 1.00 0.00 H new ATOM 0 HD21 LEU R 36 29.664 -5.497 0.232 1.00 0.00 H new ATOM 0 HD22 LEU R 36 31.245 -6.014 0.865 1.00 0.00 H new ATOM 0 HD23 LEU R 36 29.968 -7.217 0.571 1.00 0.00 H new ATOM 547 N PRO R 37 29.665 -9.297 5.212 1.00 0.00 N ATOM 548 CA PRO R 37 28.943 -10.548 5.501 1.00 0.00 C ATOM 549 C PRO R 37 28.018 -10.415 6.713 1.00 0.00 C ATOM 550 O PRO R 37 26.814 -10.521 6.582 1.00 0.00 O ATOM 551 CB PRO R 37 30.036 -11.593 5.775 1.00 0.00 C ATOM 552 CG PRO R 37 31.409 -10.890 5.599 1.00 0.00 C ATOM 553 CD PRO R 37 31.144 -9.413 5.258 1.00 0.00 C ATOM 0 HA PRO R 37 28.299 -10.824 4.666 1.00 0.00 H new ATOM 0 HB2 PRO R 37 29.938 -11.995 6.783 1.00 0.00 H new ATOM 0 HB3 PRO R 37 29.944 -12.433 5.087 1.00 0.00 H new ATOM 0 HG2 PRO R 37 31.999 -10.971 6.512 1.00 0.00 H new ATOM 0 HG3 PRO R 37 31.983 -11.368 4.805 1.00 0.00 H new ATOM 0 HD2 PRO R 37 31.570 -8.750 6.011 1.00 0.00 H new ATOM 0 HD3 PRO R 37 31.593 -9.140 4.303 1.00 0.00 H new ATOM 561 N LEU R 38 28.584 -10.193 7.869 1.00 0.00 N ATOM 562 CA LEU R 38 27.726 -10.058 9.076 1.00 0.00 C ATOM 563 C LEU R 38 26.776 -8.881 8.930 1.00 0.00 C ATOM 564 O LEU R 38 25.683 -8.886 9.456 1.00 0.00 O ATOM 565 CB LEU R 38 28.630 -9.885 10.307 1.00 0.00 C ATOM 566 CG LEU R 38 29.082 -8.425 10.473 1.00 0.00 C ATOM 567 CD1 LEU R 38 28.166 -7.711 11.475 1.00 0.00 C ATOM 568 CD2 LEU R 38 30.502 -8.415 11.010 1.00 0.00 C ATOM 0 H LEU R 38 29.587 -10.101 8.027 1.00 0.00 H new ATOM 0 HA LEU R 38 27.118 -10.955 9.196 1.00 0.00 H new ATOM 0 HB2 LEU R 38 28.095 -10.205 11.201 1.00 0.00 H new ATOM 0 HB3 LEU R 38 29.504 -10.529 10.211 1.00 0.00 H new ATOM 0 HG LEU R 38 29.035 -7.914 9.511 1.00 0.00 H new ATOM 0 HD11 LEU R 38 28.489 -6.676 11.590 1.00 0.00 H new ATOM 0 HD12 LEU R 38 27.140 -7.732 11.109 1.00 0.00 H new ATOM 0 HD13 LEU R 38 28.217 -8.217 12.439 1.00 0.00 H new ATOM 0 HD21 LEU R 38 30.837 -7.385 11.133 1.00 0.00 H new ATOM 0 HD22 LEU R 38 30.530 -8.924 11.974 1.00 0.00 H new ATOM 0 HD23 LEU R 38 31.160 -8.929 10.309 1.00 0.00 H new ATOM 580 N LEU R 39 27.216 -7.889 8.224 1.00 0.00 N ATOM 581 CA LEU R 39 26.334 -6.705 8.037 1.00 0.00 C ATOM 582 C LEU R 39 25.095 -7.117 7.242 1.00 0.00 C ATOM 583 O LEU R 39 24.012 -6.616 7.463 1.00 0.00 O ATOM 584 CB LEU R 39 27.107 -5.633 7.256 1.00 0.00 C ATOM 585 CG LEU R 39 26.178 -4.476 6.872 1.00 0.00 C ATOM 586 CD1 LEU R 39 25.526 -3.905 8.129 1.00 0.00 C ATOM 587 CD2 LEU R 39 27.007 -3.379 6.196 1.00 0.00 C ATOM 0 H LEU R 39 28.130 -7.840 7.774 1.00 0.00 H new ATOM 0 HA LEU R 39 26.027 -6.311 9.006 1.00 0.00 H new ATOM 0 HB2 LEU R 39 27.933 -5.259 7.861 1.00 0.00 H new ATOM 0 HB3 LEU R 39 27.542 -6.071 6.358 1.00 0.00 H new ATOM 0 HG LEU R 39 25.405 -4.836 6.193 1.00 0.00 H new ATOM 0 HD11 LEU R 39 24.866 -3.082 7.855 1.00 0.00 H new ATOM 0 HD12 LEU R 39 24.948 -4.685 8.625 1.00 0.00 H new ATOM 0 HD13 LEU R 39 26.299 -3.540 8.806 1.00 0.00 H new ATOM 0 HD21 LEU R 39 26.356 -2.550 5.918 1.00 0.00 H new ATOM 0 HD22 LEU R 39 27.772 -3.024 6.886 1.00 0.00 H new ATOM 0 HD23 LEU R 39 27.483 -3.782 5.302 1.00 0.00 H new ATOM 599 N ASN R 40 25.288 -8.031 6.330 1.00 0.00 N ATOM 600 CA ASN R 40 24.152 -8.499 5.503 1.00 0.00 C ATOM 601 C ASN R 40 23.202 -9.386 6.313 1.00 0.00 C ATOM 602 O ASN R 40 22.005 -9.358 6.107 1.00 0.00 O ATOM 603 CB ASN R 40 24.729 -9.321 4.350 1.00 0.00 C ATOM 604 CG ASN R 40 24.871 -8.439 3.106 1.00 0.00 C ATOM 605 OD1 ASN R 40 25.961 -8.196 2.627 1.00 0.00 O ATOM 606 ND2 ASN R 40 23.800 -7.939 2.556 1.00 0.00 N ATOM 0 H ASN R 40 26.185 -8.471 6.126 1.00 0.00 H new ATOM 0 HA ASN R 40 23.588 -7.638 5.145 1.00 0.00 H new ATOM 0 HB2 ASN R 40 25.700 -9.728 4.632 1.00 0.00 H new ATOM 0 HB3 ASN R 40 24.079 -10.169 4.134 1.00 0.00 H new ATOM 0 HD21 ASN R 40 23.880 -7.348 1.729 1.00 0.00 H new ATOM 0 HD22 ASN R 40 22.882 -8.139 2.953 1.00 0.00 H new ATOM 613 N LEU R 41 23.750 -10.159 7.215 1.00 0.00 N ATOM 614 CA LEU R 41 22.883 -11.049 8.038 1.00 0.00 C ATOM 615 C LEU R 41 21.665 -10.273 8.534 1.00 0.00 C ATOM 616 O LEU R 41 20.624 -10.843 8.798 1.00 0.00 O ATOM 617 CB LEU R 41 23.727 -11.587 9.219 1.00 0.00 C ATOM 618 CG LEU R 41 22.906 -11.675 10.522 1.00 0.00 C ATOM 619 CD1 LEU R 41 23.632 -12.610 11.499 1.00 0.00 C ATOM 620 CD2 LEU R 41 22.780 -10.285 11.165 1.00 0.00 C ATOM 0 H LEU R 41 24.749 -10.212 7.415 1.00 0.00 H new ATOM 0 HA LEU R 41 22.518 -11.888 7.445 1.00 0.00 H new ATOM 0 HB2 LEU R 41 24.115 -12.574 8.967 1.00 0.00 H new ATOM 0 HB3 LEU R 41 24.588 -10.937 9.376 1.00 0.00 H new ATOM 0 HG LEU R 41 21.910 -12.055 10.295 1.00 0.00 H new ATOM 0 HD11 LEU R 41 23.062 -12.682 12.425 1.00 0.00 H new ATOM 0 HD12 LEU R 41 23.726 -13.600 11.053 1.00 0.00 H new ATOM 0 HD13 LEU R 41 24.624 -12.213 11.713 1.00 0.00 H new ATOM 0 HD21 LEU R 41 22.198 -10.360 12.084 1.00 0.00 H new ATOM 0 HD22 LEU R 41 23.773 -9.899 11.395 1.00 0.00 H new ATOM 0 HD23 LEU R 41 22.279 -9.608 10.473 1.00 0.00 H new ATOM 632 N MET R 42 21.829 -8.984 8.643 1.00 0.00 N ATOM 633 CA MET R 42 20.704 -8.130 9.113 1.00 0.00 C ATOM 634 C MET R 42 20.076 -7.416 7.911 1.00 0.00 C ATOM 635 O MET R 42 19.724 -6.255 7.968 1.00 0.00 O ATOM 636 CB MET R 42 21.270 -7.100 10.104 1.00 0.00 C ATOM 637 CG MET R 42 20.404 -7.091 11.366 1.00 0.00 C ATOM 638 SD MET R 42 18.608 -7.031 11.143 1.00 0.00 S ATOM 639 CE MET R 42 18.159 -7.744 12.746 1.00 0.00 C ATOM 0 H MET R 42 22.693 -8.486 8.427 1.00 0.00 H new ATOM 0 HA MET R 42 19.938 -8.733 9.601 1.00 0.00 H new ATOM 0 HB2 MET R 42 22.301 -7.349 10.357 1.00 0.00 H new ATOM 0 HB3 MET R 42 21.283 -6.109 9.650 1.00 0.00 H new ATOM 0 HG2 MET R 42 20.642 -7.984 11.944 1.00 0.00 H new ATOM 0 HG3 MET R 42 20.697 -6.232 11.970 1.00 0.00 H new ATOM 0 HE1 MET R 42 17.074 -7.802 12.827 1.00 0.00 H new ATOM 0 HE2 MET R 42 18.584 -8.744 12.831 1.00 0.00 H new ATOM 0 HE3 MET R 42 18.549 -7.115 13.546 1.00 0.00 H new ATOM 649 N LEU R 43 19.942 -8.155 6.839 1.00 0.00 N ATOM 650 CA LEU R 43 19.352 -7.586 5.599 1.00 0.00 C ATOM 651 C LEU R 43 17.862 -7.294 5.738 1.00 0.00 C ATOM 652 O LEU R 43 17.195 -7.022 4.759 1.00 0.00 O ATOM 653 CB LEU R 43 19.529 -8.625 4.490 1.00 0.00 C ATOM 654 CG LEU R 43 20.649 -8.171 3.560 1.00 0.00 C ATOM 655 CD1 LEU R 43 21.048 -9.336 2.652 1.00 0.00 C ATOM 656 CD2 LEU R 43 20.155 -7.006 2.700 1.00 0.00 C ATOM 0 H LEU R 43 20.219 -9.134 6.773 1.00 0.00 H new ATOM 0 HA LEU R 43 19.855 -6.644 5.382 1.00 0.00 H new ATOM 0 HB2 LEU R 43 19.767 -9.598 4.920 1.00 0.00 H new ATOM 0 HB3 LEU R 43 18.600 -8.742 3.932 1.00 0.00 H new ATOM 0 HG LEU R 43 21.508 -7.850 4.149 1.00 0.00 H new ATOM 0 HD11 LEU R 43 21.849 -9.019 1.984 1.00 0.00 H new ATOM 0 HD12 LEU R 43 21.393 -10.171 3.262 1.00 0.00 H new ATOM 0 HD13 LEU R 43 20.186 -9.649 2.063 1.00 0.00 H new ATOM 0 HD21 LEU R 43 20.955 -6.680 2.035 1.00 0.00 H new ATOM 0 HD22 LEU R 43 19.299 -7.329 2.108 1.00 0.00 H new ATOM 0 HD23 LEU R 43 19.859 -6.178 3.344 1.00 0.00 H new ATOM 668 N THR R 44 17.357 -7.348 6.935 1.00 0.00 N ATOM 669 CA THR R 44 15.908 -7.068 7.101 1.00 0.00 C ATOM 670 C THR R 44 15.556 -5.703 6.476 1.00 0.00 C ATOM 671 O THR R 44 16.365 -4.795 6.502 1.00 0.00 O ATOM 672 CB THR R 44 15.588 -7.021 8.595 1.00 0.00 C ATOM 673 OG1 THR R 44 16.680 -6.345 9.191 1.00 0.00 O ATOM 674 CG2 THR R 44 15.621 -8.426 9.205 1.00 0.00 C ATOM 0 H THR R 44 17.871 -7.569 7.788 1.00 0.00 H new ATOM 0 HA THR R 44 15.330 -7.849 6.607 1.00 0.00 H new ATOM 0 HB THR R 44 14.611 -6.563 8.749 1.00 0.00 H new ATOM 0 HG1 THR R 44 17.163 -6.960 9.781 1.00 0.00 H new ATOM 0 HG21 THR R 44 15.390 -8.366 10.269 1.00 0.00 H new ATOM 0 HG22 THR R 44 14.883 -9.056 8.708 1.00 0.00 H new ATOM 0 HG23 THR R 44 16.613 -8.857 9.073 1.00 0.00 H new ATOM 682 N PRO R 45 14.358 -5.566 5.934 1.00 0.00 N ATOM 683 CA PRO R 45 13.937 -4.295 5.315 1.00 0.00 C ATOM 684 C PRO R 45 14.034 -3.130 6.296 1.00 0.00 C ATOM 685 O PRO R 45 14.231 -1.998 5.900 1.00 0.00 O ATOM 686 CB PRO R 45 12.461 -4.515 4.932 1.00 0.00 C ATOM 687 CG PRO R 45 12.063 -5.938 5.391 1.00 0.00 C ATOM 688 CD PRO R 45 13.331 -6.628 5.907 1.00 0.00 C ATOM 0 HA PRO R 45 14.572 -4.043 4.466 1.00 0.00 H new ATOM 0 HB2 PRO R 45 11.827 -3.768 5.409 1.00 0.00 H new ATOM 0 HB3 PRO R 45 12.325 -4.408 3.856 1.00 0.00 H new ATOM 0 HG2 PRO R 45 11.307 -5.890 6.174 1.00 0.00 H new ATOM 0 HG3 PRO R 45 11.630 -6.501 4.564 1.00 0.00 H new ATOM 0 HD2 PRO R 45 13.174 -7.051 6.899 1.00 0.00 H new ATOM 0 HD3 PRO R 45 13.628 -7.448 5.254 1.00 0.00 H new ATOM 696 N ASP R 46 13.894 -3.429 7.556 1.00 0.00 N ATOM 697 CA ASP R 46 13.974 -2.354 8.578 1.00 0.00 C ATOM 698 C ASP R 46 15.331 -1.657 8.537 1.00 0.00 C ATOM 699 O ASP R 46 15.409 -0.448 8.445 1.00 0.00 O ATOM 700 CB ASP R 46 13.783 -2.993 9.956 1.00 0.00 C ATOM 701 CG ASP R 46 14.957 -2.612 10.859 1.00 0.00 C ATOM 702 OD1 ASP R 46 15.050 -1.432 11.157 1.00 0.00 O ATOM 703 OD2 ASP R 46 15.696 -3.522 11.200 1.00 0.00 O ATOM 0 H ASP R 46 13.728 -4.367 7.920 1.00 0.00 H new ATOM 0 HA ASP R 46 13.202 -1.611 8.377 1.00 0.00 H new ATOM 0 HB2 ASP R 46 12.845 -2.657 10.398 1.00 0.00 H new ATOM 0 HB3 ASP R 46 13.720 -4.077 9.861 1.00 0.00 H new ATOM 708 N GLU R 47 16.377 -2.433 8.608 1.00 0.00 N ATOM 709 CA GLU R 47 17.737 -1.834 8.573 1.00 0.00 C ATOM 710 C GLU R 47 17.959 -1.066 7.273 1.00 0.00 C ATOM 711 O GLU R 47 18.615 -0.044 7.257 1.00 0.00 O ATOM 712 CB GLU R 47 18.764 -2.970 8.646 1.00 0.00 C ATOM 713 CG GLU R 47 19.082 -3.281 10.111 1.00 0.00 C ATOM 714 CD GLU R 47 20.279 -2.442 10.561 1.00 0.00 C ATOM 715 OE1 GLU R 47 21.293 -2.546 9.892 1.00 0.00 O ATOM 716 OE2 GLU R 47 20.112 -1.743 11.546 1.00 0.00 O ATOM 0 H GLU R 47 16.348 -3.449 8.688 1.00 0.00 H new ATOM 0 HA GLU R 47 17.844 -1.146 9.412 1.00 0.00 H new ATOM 0 HB2 GLU R 47 18.373 -3.859 8.151 1.00 0.00 H new ATOM 0 HB3 GLU R 47 19.674 -2.685 8.118 1.00 0.00 H new ATOM 0 HG2 GLU R 47 18.216 -3.064 10.736 1.00 0.00 H new ATOM 0 HG3 GLU R 47 19.303 -4.342 10.229 1.00 0.00 H new ATOM 723 N ARG R 48 17.410 -1.579 6.206 1.00 0.00 N ATOM 724 CA ARG R 48 17.577 -0.895 4.897 1.00 0.00 C ATOM 725 C ARG R 48 17.109 0.558 4.960 1.00 0.00 C ATOM 726 O ARG R 48 17.874 1.470 4.716 1.00 0.00 O ATOM 727 CB ARG R 48 16.725 -1.631 3.856 1.00 0.00 C ATOM 728 CG ARG R 48 17.261 -1.314 2.456 1.00 0.00 C ATOM 729 CD ARG R 48 18.399 -2.281 2.115 1.00 0.00 C ATOM 730 NE ARG R 48 17.841 -3.450 1.377 1.00 0.00 N ATOM 731 CZ ARG R 48 18.130 -3.603 0.114 1.00 0.00 C ATOM 732 NH1 ARG R 48 19.377 -3.517 -0.262 1.00 0.00 N ATOM 733 NH2 ARG R 48 17.163 -3.833 -0.732 1.00 0.00 N ATOM 0 H ARG R 48 16.857 -2.436 6.185 1.00 0.00 H new ATOM 0 HA ARG R 48 18.635 -0.907 4.633 1.00 0.00 H new ATOM 0 HB2 ARG R 48 16.756 -2.706 4.036 1.00 0.00 H new ATOM 0 HB3 ARG R 48 15.682 -1.324 3.938 1.00 0.00 H new ATOM 0 HG2 ARG R 48 16.462 -1.402 1.720 1.00 0.00 H new ATOM 0 HG3 ARG R 48 17.619 -0.285 2.416 1.00 0.00 H new ATOM 0 HD2 ARG R 48 19.151 -1.777 1.508 1.00 0.00 H new ATOM 0 HD3 ARG R 48 18.895 -2.614 3.026 1.00 0.00 H new ATOM 0 HE ARG R 48 17.240 -4.122 1.854 1.00 0.00 H new ATOM 0 HH11 ARG R 48 20.106 -3.333 0.427 1.00 0.00 H new ATOM 0 HH12 ARG R 48 19.622 -3.634 -1.245 1.00 0.00 H new ATOM 0 HH21 ARG R 48 16.200 -3.891 -0.402 1.00 0.00 H new ATOM 0 HH22 ARG R 48 17.371 -3.955 -1.723 1.00 0.00 H new ATOM 747 N GLU R 49 15.861 0.744 5.290 1.00 0.00 N ATOM 748 CA GLU R 49 15.321 2.128 5.375 1.00 0.00 C ATOM 749 C GLU R 49 16.153 3.000 6.314 1.00 0.00 C ATOM 750 O GLU R 49 16.121 4.211 6.224 1.00 0.00 O ATOM 751 CB GLU R 49 13.887 2.053 5.913 1.00 0.00 C ATOM 752 CG GLU R 49 13.046 1.178 4.979 1.00 0.00 C ATOM 753 CD GLU R 49 12.080 2.062 4.189 1.00 0.00 C ATOM 754 OE1 GLU R 49 11.399 2.836 4.841 1.00 0.00 O ATOM 755 OE2 GLU R 49 12.079 1.916 2.979 1.00 0.00 O ATOM 0 H GLU R 49 15.195 0.001 5.503 1.00 0.00 H new ATOM 0 HA GLU R 49 15.351 2.575 4.381 1.00 0.00 H new ATOM 0 HB2 GLU R 49 13.885 1.637 6.921 1.00 0.00 H new ATOM 0 HB3 GLU R 49 13.458 3.053 5.980 1.00 0.00 H new ATOM 0 HG2 GLU R 49 13.694 0.628 4.297 1.00 0.00 H new ATOM 0 HG3 GLU R 49 12.491 0.439 5.557 1.00 0.00 H new ATOM 762 N ALA R 50 16.881 2.372 7.194 1.00 0.00 N ATOM 763 CA ALA R 50 17.716 3.159 8.143 1.00 0.00 C ATOM 764 C ALA R 50 19.078 3.487 7.537 1.00 0.00 C ATOM 765 O ALA R 50 19.711 4.451 7.915 1.00 0.00 O ATOM 766 CB ALA R 50 17.937 2.316 9.402 1.00 0.00 C ATOM 0 H ALA R 50 16.934 1.359 7.297 1.00 0.00 H new ATOM 0 HA ALA R 50 17.202 4.092 8.372 1.00 0.00 H new ATOM 0 HB1 ALA R 50 18.547 2.875 10.111 1.00 0.00 H new ATOM 0 HB2 ALA R 50 16.974 2.082 9.857 1.00 0.00 H new ATOM 0 HB3 ALA R 50 18.447 1.390 9.135 1.00 0.00 H new ATOM 772 N LEU R 51 19.502 2.678 6.604 1.00 0.00 N ATOM 773 CA LEU R 51 20.821 2.927 5.963 1.00 0.00 C ATOM 774 C LEU R 51 20.782 4.165 5.070 1.00 0.00 C ATOM 775 O LEU R 51 21.293 5.206 5.439 1.00 0.00 O ATOM 776 CB LEU R 51 21.168 1.694 5.107 1.00 0.00 C ATOM 777 CG LEU R 51 22.659 1.683 4.700 1.00 0.00 C ATOM 778 CD1 LEU R 51 23.034 2.905 3.866 1.00 0.00 C ATOM 779 CD2 LEU R 51 23.552 1.575 5.934 1.00 0.00 C ATOM 0 H LEU R 51 18.995 1.862 6.261 1.00 0.00 H new ATOM 0 HA LEU R 51 21.570 3.098 6.736 1.00 0.00 H new ATOM 0 HB2 LEU R 51 20.936 0.787 5.665 1.00 0.00 H new ATOM 0 HB3 LEU R 51 20.546 1.686 4.212 1.00 0.00 H new ATOM 0 HG LEU R 51 22.819 0.805 4.074 1.00 0.00 H new ATOM 0 HD11 LEU R 51 24.091 2.855 3.603 1.00 0.00 H new ATOM 0 HD12 LEU R 51 22.434 2.923 2.956 1.00 0.00 H new ATOM 0 HD13 LEU R 51 22.846 3.811 4.443 1.00 0.00 H new ATOM 0 HD21 LEU R 51 24.598 1.569 5.627 1.00 0.00 H new ATOM 0 HD22 LEU R 51 23.371 2.427 6.590 1.00 0.00 H new ATOM 0 HD23 LEU R 51 23.325 0.652 6.468 1.00 0.00 H new ATOM 791 N GLY R 52 20.181 4.025 3.916 1.00 0.00 N ATOM 792 CA GLY R 52 20.098 5.179 2.975 1.00 0.00 C ATOM 793 C GLY R 52 19.877 6.488 3.738 1.00 0.00 C ATOM 794 O GLY R 52 20.523 7.487 3.476 1.00 0.00 O ATOM 0 H GLY R 52 19.746 3.163 3.587 1.00 0.00 H new ATOM 0 HA2 GLY R 52 21.016 5.244 2.390 1.00 0.00 H new ATOM 0 HA3 GLY R 52 19.282 5.021 2.270 1.00 0.00 H new ATOM 798 N THR R 53 18.970 6.456 4.672 1.00 0.00 N ATOM 799 CA THR R 53 18.696 7.681 5.461 1.00 0.00 C ATOM 800 C THR R 53 19.952 8.105 6.219 1.00 0.00 C ATOM 801 O THR R 53 20.474 9.182 6.009 1.00 0.00 O ATOM 802 CB THR R 53 17.591 7.365 6.472 1.00 0.00 C ATOM 803 OG1 THR R 53 17.955 6.122 7.048 1.00 0.00 O ATOM 804 CG2 THR R 53 16.264 7.086 5.757 1.00 0.00 C ATOM 0 H THR R 53 18.411 5.639 4.920 1.00 0.00 H new ATOM 0 HA THR R 53 18.391 8.487 4.794 1.00 0.00 H new ATOM 0 HB THR R 53 17.481 8.193 7.172 1.00 0.00 H new ATOM 0 HG1 THR R 53 17.375 5.415 6.694 1.00 0.00 H new ATOM 0 HG21 THR R 53 15.493 6.864 6.495 1.00 0.00 H new ATOM 0 HG22 THR R 53 15.971 7.962 5.179 1.00 0.00 H new ATOM 0 HG23 THR R 53 16.383 6.233 5.089 1.00 0.00 H new ATOM 812 N ARG R 54 20.412 7.230 7.080 1.00 0.00 N ATOM 813 CA ARG R 54 21.632 7.529 7.880 1.00 0.00 C ATOM 814 C ARG R 54 22.664 8.295 7.056 1.00 0.00 C ATOM 815 O ARG R 54 23.464 9.034 7.591 1.00 0.00 O ATOM 816 CB ARG R 54 22.257 6.193 8.310 1.00 0.00 C ATOM 817 CG ARG R 54 23.535 6.466 9.106 1.00 0.00 C ATOM 818 CD ARG R 54 24.008 5.161 9.757 1.00 0.00 C ATOM 819 NE ARG R 54 22.931 4.643 10.646 1.00 0.00 N ATOM 820 CZ ARG R 54 22.886 3.367 10.926 1.00 0.00 C ATOM 821 NH1 ARG R 54 23.943 2.633 10.706 1.00 0.00 N ATOM 822 NH2 ARG R 54 21.785 2.870 11.421 1.00 0.00 N ATOM 0 H ARG R 54 19.990 6.319 7.261 1.00 0.00 H new ATOM 0 HA ARG R 54 21.349 8.140 8.737 1.00 0.00 H new ATOM 0 HB2 ARG R 54 21.551 5.627 8.917 1.00 0.00 H new ATOM 0 HB3 ARG R 54 22.483 5.585 7.434 1.00 0.00 H new ATOM 0 HG2 ARG R 54 24.310 6.861 8.449 1.00 0.00 H new ATOM 0 HG3 ARG R 54 23.349 7.221 9.870 1.00 0.00 H new ATOM 0 HD2 ARG R 54 24.250 4.425 8.991 1.00 0.00 H new ATOM 0 HD3 ARG R 54 24.918 5.335 10.331 1.00 0.00 H new ATOM 0 HE ARG R 54 22.234 5.279 11.033 1.00 0.00 H new ATOM 0 HH11 ARG R 54 24.787 3.057 10.321 1.00 0.00 H new ATOM 0 HH12 ARG R 54 23.925 1.636 10.919 1.00 0.00 H new ATOM 0 HH21 ARG R 54 20.980 3.475 11.583 1.00 0.00 H new ATOM 0 HH22 ARG R 54 21.730 1.877 11.646 1.00 0.00 H new ATOM 836 N VAL R 55 22.633 8.091 5.769 1.00 0.00 N ATOM 837 CA VAL R 55 23.609 8.800 4.897 1.00 0.00 C ATOM 838 C VAL R 55 23.111 10.195 4.494 1.00 0.00 C ATOM 839 O VAL R 55 23.891 11.119 4.377 1.00 0.00 O ATOM 840 CB VAL R 55 23.812 7.970 3.623 1.00 0.00 C ATOM 841 CG1 VAL R 55 25.008 8.526 2.851 1.00 0.00 C ATOM 842 CG2 VAL R 55 24.095 6.517 4.003 1.00 0.00 C ATOM 0 H VAL R 55 21.982 7.471 5.287 1.00 0.00 H new ATOM 0 HA VAL R 55 24.539 8.919 5.453 1.00 0.00 H new ATOM 0 HB VAL R 55 22.915 8.019 3.006 1.00 0.00 H new ATOM 0 HG11 VAL R 55 25.159 7.941 1.944 1.00 0.00 H new ATOM 0 HG12 VAL R 55 24.818 9.566 2.585 1.00 0.00 H new ATOM 0 HG13 VAL R 55 25.901 8.468 3.473 1.00 0.00 H new ATOM 0 HG21 VAL R 55 24.239 5.926 3.099 1.00 0.00 H new ATOM 0 HG22 VAL R 55 24.996 6.470 4.615 1.00 0.00 H new ATOM 0 HG23 VAL R 55 23.252 6.118 4.567 1.00 0.00 H new ATOM 852 N ARG R 56 21.824 10.326 4.290 1.00 0.00 N ATOM 853 CA ARG R 56 21.278 11.661 3.893 1.00 0.00 C ATOM 854 C ARG R 56 21.672 12.761 4.887 1.00 0.00 C ATOM 855 O ARG R 56 22.105 13.823 4.489 1.00 0.00 O ATOM 856 CB ARG R 56 19.750 11.565 3.815 1.00 0.00 C ATOM 857 CG ARG R 56 19.360 10.975 2.455 1.00 0.00 C ATOM 858 CD ARG R 56 19.302 12.096 1.411 1.00 0.00 C ATOM 859 NE ARG R 56 19.730 11.552 0.088 1.00 0.00 N ATOM 860 CZ ARG R 56 18.906 10.813 -0.599 1.00 0.00 C ATOM 861 NH1 ARG R 56 18.099 11.389 -1.447 1.00 0.00 N ATOM 862 NH2 ARG R 56 18.918 9.522 -0.417 1.00 0.00 N ATOM 0 H ARG R 56 21.136 9.578 4.379 1.00 0.00 H new ATOM 0 HA ARG R 56 21.699 11.928 2.924 1.00 0.00 H new ATOM 0 HB2 ARG R 56 19.370 10.938 4.621 1.00 0.00 H new ATOM 0 HB3 ARG R 56 19.303 12.551 3.941 1.00 0.00 H new ATOM 0 HG2 ARG R 56 20.085 10.219 2.153 1.00 0.00 H new ATOM 0 HG3 ARG R 56 18.392 10.479 2.526 1.00 0.00 H new ATOM 0 HD2 ARG R 56 18.290 12.496 1.344 1.00 0.00 H new ATOM 0 HD3 ARG R 56 19.951 12.920 1.707 1.00 0.00 H new ATOM 0 HE ARG R 56 20.661 11.757 -0.275 1.00 0.00 H new ATOM 0 HH11 ARG R 56 18.120 12.402 -1.563 1.00 0.00 H new ATOM 0 HH12 ARG R 56 17.447 10.826 -1.994 1.00 0.00 H new ATOM 0 HH21 ARG R 56 19.565 9.108 0.254 1.00 0.00 H new ATOM 0 HH22 ARG R 56 18.280 8.927 -0.945 1.00 0.00 H new ATOM 876 N ILE R 57 21.509 12.503 6.160 1.00 0.00 N ATOM 877 CA ILE R 57 21.882 13.543 7.159 1.00 0.00 C ATOM 878 C ILE R 57 23.315 13.979 6.907 1.00 0.00 C ATOM 879 O ILE R 57 23.568 15.076 6.451 1.00 0.00 O ATOM 880 CB ILE R 57 21.821 12.952 8.574 1.00 0.00 C ATOM 881 CG1 ILE R 57 21.636 11.427 8.548 1.00 0.00 C ATOM 882 CG2 ILE R 57 20.667 13.615 9.331 1.00 0.00 C ATOM 883 CD1 ILE R 57 20.157 11.052 8.348 1.00 0.00 C ATOM 0 H ILE R 57 21.140 11.633 6.544 1.00 0.00 H new ATOM 0 HA ILE R 57 21.193 14.383 7.069 1.00 0.00 H new ATOM 0 HB ILE R 57 22.767 13.150 9.078 1.00 0.00 H new ATOM 0 HG12 ILE R 57 22.235 10.999 7.744 1.00 0.00 H new ATOM 0 HG13 ILE R 57 22.000 10.997 9.481 1.00 0.00 H new ATOM 0 HG21 ILE R 57 20.610 13.205 10.339 1.00 0.00 H new ATOM 0 HG22 ILE R 57 20.838 14.690 9.385 1.00 0.00 H new ATOM 0 HG23 ILE R 57 19.730 13.422 8.808 1.00 0.00 H new ATOM 0 HD11 ILE R 57 20.056 9.967 8.334 1.00 0.00 H new ATOM 0 HD12 ILE R 57 19.564 11.461 9.166 1.00 0.00 H new ATOM 0 HD13 ILE R 57 19.802 11.462 7.402 1.00 0.00 H new ATOM 895 N VAL R 58 24.226 13.102 7.242 1.00 0.00 N ATOM 896 CA VAL R 58 25.666 13.412 7.040 1.00 0.00 C ATOM 897 C VAL R 58 25.857 14.125 5.710 1.00 0.00 C ATOM 898 O VAL R 58 26.447 15.187 5.642 1.00 0.00 O ATOM 899 CB VAL R 58 26.438 12.088 6.994 1.00 0.00 C ATOM 900 CG1 VAL R 58 27.940 12.383 6.947 1.00 0.00 C ATOM 901 CG2 VAL R 58 26.121 11.269 8.245 1.00 0.00 C ATOM 0 H VAL R 58 24.031 12.186 7.646 1.00 0.00 H new ATOM 0 HA VAL R 58 26.024 14.048 7.850 1.00 0.00 H new ATOM 0 HB VAL R 58 26.146 11.524 6.108 1.00 0.00 H new ATOM 0 HG11 VAL R 58 28.494 11.445 6.914 1.00 0.00 H new ATOM 0 HG12 VAL R 58 28.168 12.970 6.057 1.00 0.00 H new ATOM 0 HG13 VAL R 58 28.229 12.944 7.836 1.00 0.00 H new ATOM 0 HG21 VAL R 58 26.670 10.328 8.212 1.00 0.00 H new ATOM 0 HG22 VAL R 58 26.416 11.830 9.132 1.00 0.00 H new ATOM 0 HG23 VAL R 58 25.051 11.064 8.284 1.00 0.00 H new ATOM 911 N GLU R 59 25.352 13.515 4.673 1.00 0.00 N ATOM 912 CA GLU R 59 25.487 14.135 3.337 1.00 0.00 C ATOM 913 C GLU R 59 25.139 15.619 3.420 1.00 0.00 C ATOM 914 O GLU R 59 25.757 16.445 2.780 1.00 0.00 O ATOM 915 CB GLU R 59 24.521 13.439 2.367 1.00 0.00 C ATOM 916 CG GLU R 59 24.824 13.892 0.936 1.00 0.00 C ATOM 917 CD GLU R 59 25.824 12.926 0.297 1.00 0.00 C ATOM 918 OE1 GLU R 59 25.547 11.740 0.354 1.00 0.00 O ATOM 919 OE2 GLU R 59 26.814 13.430 -0.213 1.00 0.00 O ATOM 0 H GLU R 59 24.858 12.623 4.697 1.00 0.00 H new ATOM 0 HA GLU R 59 26.513 14.027 2.984 1.00 0.00 H new ATOM 0 HB2 GLU R 59 24.624 12.357 2.447 1.00 0.00 H new ATOM 0 HB3 GLU R 59 23.490 13.681 2.626 1.00 0.00 H new ATOM 0 HG2 GLU R 59 23.905 13.922 0.350 1.00 0.00 H new ATOM 0 HG3 GLU R 59 25.231 14.903 0.942 1.00 0.00 H new ATOM 926 N GLU R 60 24.140 15.923 4.198 1.00 0.00 N ATOM 927 CA GLU R 60 23.735 17.345 4.342 1.00 0.00 C ATOM 928 C GLU R 60 24.818 18.118 5.091 1.00 0.00 C ATOM 929 O GLU R 60 25.282 19.146 4.639 1.00 0.00 O ATOM 930 CB GLU R 60 22.438 17.400 5.157 1.00 0.00 C ATOM 931 CG GLU R 60 21.478 18.410 4.520 1.00 0.00 C ATOM 932 CD GLU R 60 20.898 17.820 3.232 1.00 0.00 C ATOM 933 OE1 GLU R 60 21.247 16.685 2.949 1.00 0.00 O ATOM 934 OE2 GLU R 60 20.138 18.538 2.605 1.00 0.00 O ATOM 0 H GLU R 60 23.590 15.253 4.736 1.00 0.00 H new ATOM 0 HA GLU R 60 23.590 17.787 3.356 1.00 0.00 H new ATOM 0 HB2 GLU R 60 21.975 16.414 5.191 1.00 0.00 H new ATOM 0 HB3 GLU R 60 22.654 17.687 6.186 1.00 0.00 H new ATOM 0 HG2 GLU R 60 20.675 18.653 5.215 1.00 0.00 H new ATOM 0 HG3 GLU R 60 22.003 19.340 4.302 1.00 0.00 H new ATOM 941 N LEU R 61 25.195 17.601 6.231 1.00 0.00 N ATOM 942 CA LEU R 61 26.246 18.280 7.037 1.00 0.00 C ATOM 943 C LEU R 61 27.417 18.703 6.154 1.00 0.00 C ATOM 944 O LEU R 61 28.162 19.595 6.502 1.00 0.00 O ATOM 945 CB LEU R 61 26.765 17.288 8.088 1.00 0.00 C ATOM 946 CG LEU R 61 25.930 17.411 9.365 1.00 0.00 C ATOM 947 CD1 LEU R 61 25.904 16.058 10.077 1.00 0.00 C ATOM 948 CD2 LEU R 61 26.572 18.451 10.284 1.00 0.00 C ATOM 0 H LEU R 61 24.821 16.742 6.635 1.00 0.00 H new ATOM 0 HA LEU R 61 25.817 19.166 7.505 1.00 0.00 H new ATOM 0 HB2 LEU R 61 26.709 16.270 7.701 1.00 0.00 H new ATOM 0 HB3 LEU R 61 27.814 17.489 8.306 1.00 0.00 H new ATOM 0 HG LEU R 61 24.914 17.716 9.116 1.00 0.00 H new ATOM 0 HD11 LEU R 61 25.311 16.138 10.988 1.00 0.00 H new ATOM 0 HD12 LEU R 61 25.461 15.310 9.420 1.00 0.00 H new ATOM 0 HD13 LEU R 61 26.921 15.761 10.331 1.00 0.00 H new ATOM 0 HD21 LEU R 61 25.982 18.544 11.196 1.00 0.00 H new ATOM 0 HD22 LEU R 61 27.585 18.137 10.537 1.00 0.00 H new ATOM 0 HD23 LEU R 61 26.607 19.414 9.775 1.00 0.00 H new ATOM 1426 N PRO R 93 25.131 18.434 19.167 1.00 0.00 N ATOM 1427 CA PRO R 93 25.787 18.073 17.897 1.00 0.00 C ATOM 1428 C PRO R 93 27.291 18.326 17.964 1.00 0.00 C ATOM 1429 O PRO R 93 28.072 17.613 17.369 1.00 0.00 O ATOM 1430 CB PRO R 93 25.167 19.017 16.853 1.00 0.00 C ATOM 1431 CG PRO R 93 24.296 20.046 17.612 1.00 0.00 C ATOM 1432 CD PRO R 93 24.177 19.562 19.062 1.00 0.00 C ATOM 0 HA PRO R 93 25.646 17.018 17.664 1.00 0.00 H new ATOM 0 HB2 PRO R 93 25.947 19.522 16.282 1.00 0.00 H new ATOM 0 HB3 PRO R 93 24.563 18.456 16.140 1.00 0.00 H new ATOM 0 HG2 PRO R 93 24.750 21.036 17.574 1.00 0.00 H new ATOM 0 HG3 PRO R 93 23.311 20.129 17.153 1.00 0.00 H new ATOM 0 HD2 PRO R 93 24.426 20.357 19.765 1.00 0.00 H new ATOM 0 HD3 PRO R 93 23.160 19.242 19.289 1.00 0.00 H new ATOM 1440 N VAL R 94 27.663 19.347 18.690 1.00 0.00 N ATOM 1441 CA VAL R 94 29.109 19.677 18.819 1.00 0.00 C ATOM 1442 C VAL R 94 29.949 18.419 19.025 1.00 0.00 C ATOM 1443 O VAL R 94 31.122 18.396 18.712 1.00 0.00 O ATOM 1444 CB VAL R 94 29.282 20.590 20.040 1.00 0.00 C ATOM 1445 CG1 VAL R 94 30.751 21.003 20.158 1.00 0.00 C ATOM 1446 CG2 VAL R 94 28.424 21.845 19.863 1.00 0.00 C ATOM 0 H VAL R 94 27.029 19.964 19.197 1.00 0.00 H new ATOM 0 HA VAL R 94 29.443 20.166 17.904 1.00 0.00 H new ATOM 0 HB VAL R 94 28.973 20.057 20.939 1.00 0.00 H new ATOM 0 HG11 VAL R 94 30.878 21.652 21.025 1.00 0.00 H new ATOM 0 HG12 VAL R 94 31.370 20.114 20.276 1.00 0.00 H new ATOM 0 HG13 VAL R 94 31.052 21.538 19.257 1.00 0.00 H new ATOM 0 HG21 VAL R 94 28.546 22.494 20.730 1.00 0.00 H new ATOM 0 HG22 VAL R 94 28.738 22.376 18.964 1.00 0.00 H new ATOM 0 HG23 VAL R 94 27.376 21.559 19.768 1.00 0.00 H new ATOM 1456 N GLU R 95 29.333 17.395 19.543 1.00 0.00 N ATOM 1457 CA GLU R 95 30.087 16.132 19.775 1.00 0.00 C ATOM 1458 C GLU R 95 30.505 15.481 18.456 1.00 0.00 C ATOM 1459 O GLU R 95 31.589 14.945 18.340 1.00 0.00 O ATOM 1460 CB GLU R 95 29.175 15.168 20.542 1.00 0.00 C ATOM 1461 CG GLU R 95 28.786 15.807 21.879 1.00 0.00 C ATOM 1462 CD GLU R 95 30.008 15.841 22.798 1.00 0.00 C ATOM 1463 OE1 GLU R 95 30.761 16.790 22.664 1.00 0.00 O ATOM 1464 OE2 GLU R 95 30.122 14.911 23.581 1.00 0.00 O ATOM 0 H GLU R 95 28.350 17.376 19.814 1.00 0.00 H new ATOM 0 HA GLU R 95 30.991 16.357 20.341 1.00 0.00 H new ATOM 0 HB2 GLU R 95 28.283 14.948 19.956 1.00 0.00 H new ATOM 0 HB3 GLU R 95 29.687 14.221 20.712 1.00 0.00 H new ATOM 0 HG2 GLU R 95 28.411 16.817 21.717 1.00 0.00 H new ATOM 0 HG3 GLU R 95 27.981 15.239 22.346 1.00 0.00 H new ATOM 1471 N LEU R 96 29.635 15.543 17.484 1.00 0.00 N ATOM 1472 CA LEU R 96 29.954 14.936 16.161 1.00 0.00 C ATOM 1473 C LEU R 96 31.021 15.754 15.433 1.00 0.00 C ATOM 1474 O LEU R 96 31.977 15.211 14.911 1.00 0.00 O ATOM 1475 CB LEU R 96 28.656 14.922 15.333 1.00 0.00 C ATOM 1476 CG LEU R 96 28.944 14.558 13.870 1.00 0.00 C ATOM 1477 CD1 LEU R 96 29.750 13.257 13.804 1.00 0.00 C ATOM 1478 CD2 LEU R 96 27.611 14.348 13.149 1.00 0.00 C ATOM 0 H LEU R 96 28.719 15.987 17.549 1.00 0.00 H new ATOM 0 HA LEU R 96 30.342 13.927 16.297 1.00 0.00 H new ATOM 0 HB2 LEU R 96 27.955 14.204 15.760 1.00 0.00 H new ATOM 0 HB3 LEU R 96 28.178 15.901 15.381 1.00 0.00 H new ATOM 0 HG LEU R 96 29.514 15.360 13.400 1.00 0.00 H new ATOM 0 HD11 LEU R 96 29.950 13.006 12.762 1.00 0.00 H new ATOM 0 HD12 LEU R 96 30.694 13.386 14.334 1.00 0.00 H new ATOM 0 HD13 LEU R 96 29.180 12.452 14.268 1.00 0.00 H new ATOM 0 HD21 LEU R 96 27.798 14.088 12.107 1.00 0.00 H new ATOM 0 HD22 LEU R 96 27.060 13.540 13.631 1.00 0.00 H new ATOM 0 HD23 LEU R 96 27.024 15.265 13.195 1.00 0.00 H new ATOM 1490 N ARG R 97 30.844 17.046 15.418 1.00 0.00 N ATOM 1491 CA ARG R 97 31.826 17.908 14.740 1.00 0.00 C ATOM 1492 C ARG R 97 33.244 17.465 15.074 1.00 0.00 C ATOM 1493 O ARG R 97 34.174 17.724 14.335 1.00 0.00 O ATOM 1494 CB ARG R 97 31.603 19.322 15.270 1.00 0.00 C ATOM 1495 CG ARG R 97 30.227 19.809 14.811 1.00 0.00 C ATOM 1496 CD ARG R 97 29.931 21.174 15.436 1.00 0.00 C ATOM 1497 NE ARG R 97 30.017 22.220 14.383 1.00 0.00 N ATOM 1498 CZ ARG R 97 29.574 23.417 14.640 1.00 0.00 C ATOM 1499 NH1 ARG R 97 29.320 23.741 15.878 1.00 0.00 N ATOM 1500 NH2 ARG R 97 29.396 24.249 13.653 1.00 0.00 N ATOM 0 H ARG R 97 30.058 17.534 15.849 1.00 0.00 H new ATOM 0 HA ARG R 97 31.702 17.856 13.658 1.00 0.00 H new ATOM 0 HB2 ARG R 97 31.663 19.331 16.358 1.00 0.00 H new ATOM 0 HB3 ARG R 97 32.382 19.990 14.902 1.00 0.00 H new ATOM 0 HG2 ARG R 97 30.200 19.882 13.724 1.00 0.00 H new ATOM 0 HG3 ARG R 97 29.460 19.091 15.101 1.00 0.00 H new ATOM 0 HD2 ARG R 97 28.938 21.174 15.886 1.00 0.00 H new ATOM 0 HD3 ARG R 97 30.643 21.384 16.234 1.00 0.00 H new ATOM 0 HE ARG R 97 30.418 22.003 13.471 1.00 0.00 H new ATOM 0 HH11 ARG R 97 29.469 23.061 16.624 1.00 0.00 H new ATOM 0 HH12 ARG R 97 28.972 24.674 16.100 1.00 0.00 H new ATOM 0 HH21 ARG R 97 29.603 23.958 12.697 1.00 0.00 H new ATOM 0 HH22 ARG R 97 29.050 25.191 13.836 1.00 0.00 H new ATOM 1514 N GLN R 98 33.372 16.783 16.180 1.00 0.00 N ATOM 1515 CA GLN R 98 34.700 16.303 16.602 1.00 0.00 C ATOM 1516 C GLN R 98 35.366 15.484 15.506 1.00 0.00 C ATOM 1517 O GLN R 98 36.445 15.810 15.052 1.00 0.00 O ATOM 1518 CB GLN R 98 34.490 15.402 17.816 1.00 0.00 C ATOM 1519 CG GLN R 98 33.936 16.232 18.975 1.00 0.00 C ATOM 1520 CD GLN R 98 35.088 16.954 19.677 1.00 0.00 C ATOM 1521 OE1 GLN R 98 36.238 16.801 19.325 1.00 0.00 O ATOM 1522 NE2 GLN R 98 34.819 17.754 20.674 1.00 0.00 N ATOM 0 H GLN R 98 32.604 16.541 16.806 1.00 0.00 H new ATOM 0 HA GLN R 98 35.339 17.157 16.827 1.00 0.00 H new ATOM 0 HB2 GLN R 98 33.799 14.596 17.569 1.00 0.00 H new ATOM 0 HB3 GLN R 98 35.433 14.937 18.105 1.00 0.00 H new ATOM 0 HG2 GLN R 98 33.210 16.956 18.604 1.00 0.00 H new ATOM 0 HG3 GLN R 98 33.412 15.588 19.681 1.00 0.00 H new ATOM 0 HE21 GLN R 98 33.854 17.887 20.975 1.00 0.00 H new ATOM 0 HE22 GLN R 98 35.574 18.246 21.151 1.00 0.00 H new ATOM 1531 N TRP R 99 34.713 14.427 15.095 1.00 0.00 N ATOM 1532 CA TRP R 99 35.319 13.592 14.029 1.00 0.00 C ATOM 1533 C TRP R 99 34.944 14.067 12.631 1.00 0.00 C ATOM 1534 O TRP R 99 35.789 14.237 11.775 1.00 0.00 O ATOM 1535 CB TRP R 99 34.832 12.144 14.130 1.00 0.00 C ATOM 1536 CG TRP R 99 35.496 11.403 12.997 1.00 0.00 C ATOM 1537 CD1 TRP R 99 36.830 11.237 12.882 1.00 0.00 C ATOM 1538 CD2 TRP R 99 34.853 10.768 12.030 1.00 0.00 C ATOM 1539 NE1 TRP R 99 36.934 10.451 11.816 1.00 0.00 N ATOM 1540 CE2 TRP R 99 35.763 10.115 11.231 1.00 0.00 C ATOM 1541 CE3 TRP R 99 33.499 10.701 11.726 1.00 0.00 C ATOM 1542 CZ2 TRP R 99 35.337 9.390 10.160 1.00 0.00 C ATOM 1543 CZ3 TRP R 99 33.081 9.971 10.646 1.00 0.00 C ATOM 1544 CH2 TRP R 99 34.003 9.316 9.870 1.00 0.00 C ATOM 0 H TRP R 99 33.807 14.115 15.445 1.00 0.00 H new ATOM 0 HA TRP R 99 36.396 13.671 14.176 1.00 0.00 H new ATOM 0 HB2 TRP R 99 35.101 11.708 15.092 1.00 0.00 H new ATOM 0 HB3 TRP R 99 33.746 12.091 14.048 1.00 0.00 H new ATOM 0 HD1 TRP R 99 37.617 11.642 13.502 1.00 0.00 H new ATOM 0 HE1 TRP R 99 37.834 10.124 11.464 1.00 0.00 H new ATOM 0 HE3 TRP R 99 32.779 11.223 12.339 1.00 0.00 H new ATOM 0 HZ2 TRP R 99 36.054 8.873 9.539 1.00 0.00 H new ATOM 0 HZ3 TRP R 99 32.030 9.911 10.406 1.00 0.00 H new ATOM 0 HH2 TRP R 99 33.672 8.736 9.021 1.00 0.00 H new ATOM 1555 N LEU R 100 33.682 14.231 12.410 1.00 0.00 N ATOM 1556 CA LEU R 100 33.247 14.691 11.073 1.00 0.00 C ATOM 1557 C LEU R 100 34.091 15.865 10.571 1.00 0.00 C ATOM 1558 O LEU R 100 34.172 16.100 9.381 1.00 0.00 O ATOM 1559 CB LEU R 100 31.785 15.102 11.163 1.00 0.00 C ATOM 1560 CG LEU R 100 31.101 14.744 9.844 1.00 0.00 C ATOM 1561 CD1 LEU R 100 30.746 13.252 9.835 1.00 0.00 C ATOM 1562 CD2 LEU R 100 29.826 15.565 9.711 1.00 0.00 C ATOM 0 H LEU R 100 32.937 14.069 13.088 1.00 0.00 H new ATOM 0 HA LEU R 100 33.377 13.876 10.361 1.00 0.00 H new ATOM 0 HB2 LEU R 100 31.298 14.591 11.994 1.00 0.00 H new ATOM 0 HB3 LEU R 100 31.703 16.172 11.355 1.00 0.00 H new ATOM 0 HG LEU R 100 31.772 14.959 9.013 1.00 0.00 H new ATOM 0 HD11 LEU R 100 30.258 13.000 8.893 1.00 0.00 H new ATOM 0 HD12 LEU R 100 31.656 12.661 9.942 1.00 0.00 H new ATOM 0 HD13 LEU R 100 30.071 13.034 10.663 1.00 0.00 H new ATOM 0 HD21 LEU R 100 29.330 15.317 8.773 1.00 0.00 H new ATOM 0 HD22 LEU R 100 29.160 15.340 10.544 1.00 0.00 H new ATOM 0 HD23 LEU R 100 30.074 16.626 9.721 1.00 0.00 H new ATOM 1574 N GLU R 101 34.711 16.579 11.472 1.00 0.00 N ATOM 1575 CA GLU R 101 35.543 17.727 11.032 1.00 0.00 C ATOM 1576 C GLU R 101 36.816 17.227 10.342 1.00 0.00 C ATOM 1577 O GLU R 101 37.581 18.011 9.819 1.00 0.00 O ATOM 1578 CB GLU R 101 35.922 18.542 12.286 1.00 0.00 C ATOM 1579 CG GLU R 101 37.148 19.418 12.004 1.00 0.00 C ATOM 1580 CD GLU R 101 37.313 20.442 13.133 1.00 0.00 C ATOM 1581 OE1 GLU R 101 37.616 19.993 14.228 1.00 0.00 O ATOM 1582 OE2 GLU R 101 37.134 21.612 12.840 1.00 0.00 O ATOM 0 H GLU R 101 34.677 16.418 12.479 1.00 0.00 H new ATOM 0 HA GLU R 101 34.988 18.342 10.323 1.00 0.00 H new ATOM 0 HB2 GLU R 101 35.082 19.167 12.588 1.00 0.00 H new ATOM 0 HB3 GLU R 101 36.132 17.867 13.116 1.00 0.00 H new ATOM 0 HG2 GLU R 101 38.041 18.798 11.927 1.00 0.00 H new ATOM 0 HG3 GLU R 101 37.031 19.929 11.049 1.00 0.00 H new ATOM 1589 N GLU R 102 36.998 15.925 10.333 1.00 0.00 N ATOM 1590 CA GLU R 102 38.195 15.344 9.696 1.00 0.00 C ATOM 1591 C GLU R 102 37.804 14.501 8.485 1.00 0.00 C ATOM 1592 O GLU R 102 38.572 14.357 7.557 1.00 0.00 O ATOM 1593 CB GLU R 102 38.890 14.460 10.774 1.00 0.00 C ATOM 1594 CG GLU R 102 38.490 12.984 10.659 1.00 0.00 C ATOM 1595 CD GLU R 102 39.421 12.160 11.549 1.00 0.00 C ATOM 1596 OE1 GLU R 102 39.972 12.759 12.456 1.00 0.00 O ATOM 1597 OE2 GLU R 102 39.529 10.976 11.272 1.00 0.00 O ATOM 0 H GLU R 102 36.357 15.247 10.746 1.00 0.00 H new ATOM 0 HA GLU R 102 38.865 16.127 9.340 1.00 0.00 H new ATOM 0 HB2 GLU R 102 39.972 14.550 10.673 1.00 0.00 H new ATOM 0 HB3 GLU R 102 38.630 14.829 11.766 1.00 0.00 H new ATOM 0 HG2 GLU R 102 37.453 12.847 10.966 1.00 0.00 H new ATOM 0 HG3 GLU R 102 38.563 12.651 9.624 1.00 0.00 H new ATOM 1604 N VAL R 103 36.614 13.958 8.518 1.00 0.00 N ATOM 1605 CA VAL R 103 36.179 13.115 7.364 1.00 0.00 C ATOM 1606 C VAL R 103 35.525 13.881 6.196 1.00 0.00 C ATOM 1607 O VAL R 103 35.863 13.631 5.056 1.00 0.00 O ATOM 1608 CB VAL R 103 35.220 12.035 7.902 1.00 0.00 C ATOM 1609 CG1 VAL R 103 33.758 12.462 7.739 1.00 0.00 C ATOM 1610 CG2 VAL R 103 35.450 10.740 7.123 1.00 0.00 C ATOM 0 H VAL R 103 35.938 14.058 9.275 1.00 0.00 H new ATOM 0 HA VAL R 103 37.081 12.685 6.929 1.00 0.00 H new ATOM 0 HB VAL R 103 35.420 11.889 8.964 1.00 0.00 H new ATOM 0 HG11 VAL R 103 33.105 11.680 8.127 1.00 0.00 H new ATOM 0 HG12 VAL R 103 33.585 13.386 8.291 1.00 0.00 H new ATOM 0 HG13 VAL R 103 33.542 12.624 6.683 1.00 0.00 H new ATOM 0 HG21 VAL R 103 34.777 9.967 7.495 1.00 0.00 H new ATOM 0 HG22 VAL R 103 35.255 10.913 6.065 1.00 0.00 H new ATOM 0 HG23 VAL R 103 36.482 10.415 7.254 1.00 0.00 H new ATOM 1620 N LEU R 104 34.622 14.791 6.463 1.00 0.00 N ATOM 1621 CA LEU R 104 33.994 15.526 5.318 1.00 0.00 C ATOM 1622 C LEU R 104 34.802 16.762 4.914 1.00 0.00 C ATOM 1623 O LEU R 104 35.283 16.845 3.802 1.00 0.00 O ATOM 1624 CB LEU R 104 32.574 15.985 5.712 1.00 0.00 C ATOM 1625 CG LEU R 104 31.614 14.786 5.841 1.00 0.00 C ATOM 1626 CD1 LEU R 104 30.206 15.311 6.139 1.00 0.00 C ATOM 1627 CD2 LEU R 104 31.572 13.983 4.535 1.00 0.00 C ATOM 0 H LEU R 104 34.298 15.053 7.394 1.00 0.00 H new ATOM 0 HA LEU R 104 33.964 14.839 4.473 1.00 0.00 H new ATOM 0 HB2 LEU R 104 32.613 16.526 6.658 1.00 0.00 H new ATOM 0 HB3 LEU R 104 32.193 16.680 4.963 1.00 0.00 H new ATOM 0 HG LEU R 104 31.965 14.138 6.644 1.00 0.00 H new ATOM 0 HD11 LEU R 104 29.517 14.472 6.233 1.00 0.00 H new ATOM 0 HD12 LEU R 104 30.218 15.876 7.071 1.00 0.00 H new ATOM 0 HD13 LEU R 104 29.880 15.959 5.326 1.00 0.00 H new ATOM 0 HD21 LEU R 104 30.889 13.141 4.647 1.00 0.00 H new ATOM 0 HD22 LEU R 104 31.227 14.625 3.724 1.00 0.00 H new ATOM 0 HD23 LEU R 104 32.570 13.612 4.304 1.00 0.00 H new ATOM 1639 N LEU R 105 34.924 17.697 5.817 1.00 0.00 N ATOM 1640 CA LEU R 105 35.695 18.937 5.500 1.00 0.00 C ATOM 1641 C LEU R 105 36.938 18.633 4.660 1.00 0.00 C ATOM 1642 O LEU R 105 37.040 19.060 3.526 1.00 0.00 O ATOM 1643 CB LEU R 105 36.139 19.579 6.818 1.00 0.00 C ATOM 1644 CG LEU R 105 36.341 21.084 6.600 1.00 0.00 C ATOM 1645 CD1 LEU R 105 35.013 21.820 6.820 1.00 0.00 C ATOM 1646 CD2 LEU R 105 37.375 21.602 7.599 1.00 0.00 C ATOM 0 H LEU R 105 34.526 17.658 6.756 1.00 0.00 H new ATOM 0 HA LEU R 105 35.053 19.605 4.926 1.00 0.00 H new ATOM 0 HB2 LEU R 105 35.389 19.408 7.591 1.00 0.00 H new ATOM 0 HB3 LEU R 105 37.065 19.122 7.166 1.00 0.00 H new ATOM 0 HG LEU R 105 36.689 21.260 5.582 1.00 0.00 H new ATOM 0 HD11 LEU R 105 35.159 22.889 6.665 1.00 0.00 H new ATOM 0 HD12 LEU R 105 34.270 21.449 6.114 1.00 0.00 H new ATOM 0 HD13 LEU R 105 34.665 21.646 7.838 1.00 0.00 H new ATOM 0 HD21 LEU R 105 37.522 22.671 7.448 1.00 0.00 H new ATOM 0 HD22 LEU R 105 37.021 21.424 8.614 1.00 0.00 H new ATOM 0 HD23 LEU R 105 38.320 21.081 7.448 1.00 0.00 H new ATOM 1871 N HIS S 16 23.304 0.560 -3.538 1.00 0.00 N ATOM 1872 CA HIS S 16 24.582 -0.098 -3.908 1.00 0.00 C ATOM 1873 C HIS S 16 25.608 0.956 -4.316 1.00 0.00 C ATOM 1874 O HIS S 16 26.753 0.654 -4.592 1.00 0.00 O ATOM 1875 CB HIS S 16 24.285 -1.033 -5.089 1.00 0.00 C ATOM 1876 CG HIS S 16 25.466 -1.079 -6.063 1.00 0.00 C ATOM 1877 ND1 HIS S 16 25.438 -0.649 -7.256 1.00 0.00 N ATOM 1878 CD2 HIS S 16 26.737 -1.603 -5.903 1.00 0.00 C ATOM 1879 CE1 HIS S 16 26.560 -0.861 -7.840 1.00 0.00 C ATOM 1880 NE2 HIS S 16 27.430 -1.461 -7.045 1.00 0.00 N ATOM 0 HA HIS S 16 24.990 -0.659 -3.067 1.00 0.00 H new ATOM 0 HB2 HIS S 16 24.075 -2.037 -4.719 1.00 0.00 H new ATOM 0 HB3 HIS S 16 23.391 -0.692 -5.611 1.00 0.00 H new ATOM 0 HD2 HIS S 16 27.114 -2.057 -4.998 1.00 0.00 H new ATOM 0 HE1 HIS S 16 26.770 -0.582 -8.862 1.00 0.00 H new ATOM 0 HE2 HIS S 16 28.388 -1.745 -7.248 1.00 0.00 H new ATOM 1888 N GLN S 17 25.163 2.183 -4.334 1.00 0.00 N ATOM 1889 CA GLN S 17 26.067 3.298 -4.716 1.00 0.00 C ATOM 1890 C GLN S 17 26.595 4.007 -3.470 1.00 0.00 C ATOM 1891 O GLN S 17 27.750 4.383 -3.406 1.00 0.00 O ATOM 1892 CB GLN S 17 25.262 4.302 -5.551 1.00 0.00 C ATOM 1893 CG GLN S 17 24.315 3.532 -6.474 1.00 0.00 C ATOM 1894 CD GLN S 17 24.116 4.323 -7.768 1.00 0.00 C ATOM 1895 OE1 GLN S 17 24.220 3.792 -8.856 1.00 0.00 O ATOM 1896 NE2 GLN S 17 23.827 5.594 -7.693 1.00 0.00 N ATOM 0 H GLN S 17 24.209 2.459 -4.100 1.00 0.00 H new ATOM 0 HA GLN S 17 26.911 2.904 -5.282 1.00 0.00 H new ATOM 0 HB2 GLN S 17 24.695 4.966 -4.899 1.00 0.00 H new ATOM 0 HB3 GLN S 17 25.934 4.929 -6.138 1.00 0.00 H new ATOM 0 HG2 GLN S 17 24.726 2.547 -6.696 1.00 0.00 H new ATOM 0 HG3 GLN S 17 23.356 3.373 -5.980 1.00 0.00 H new ATOM 0 HE21 GLN S 17 23.739 6.044 -6.782 1.00 0.00 H new ATOM 0 HE22 GLN S 17 23.690 6.137 -8.545 1.00 0.00 H new ATOM 1905 N GLU S 18 25.733 4.178 -2.504 1.00 0.00 N ATOM 1906 CA GLU S 18 26.158 4.859 -1.250 1.00 0.00 C ATOM 1907 C GLU S 18 26.519 3.820 -0.194 1.00 0.00 C ATOM 1908 O GLU S 18 27.375 4.047 0.636 1.00 0.00 O ATOM 1909 CB GLU S 18 24.994 5.711 -0.708 1.00 0.00 C ATOM 1910 CG GLU S 18 24.254 6.413 -1.860 1.00 0.00 C ATOM 1911 CD GLU S 18 25.170 7.460 -2.503 1.00 0.00 C ATOM 1912 OE1 GLU S 18 26.234 7.060 -2.943 1.00 0.00 O ATOM 1913 OE2 GLU S 18 24.747 8.604 -2.526 1.00 0.00 O ATOM 0 H GLU S 18 24.759 3.877 -2.529 1.00 0.00 H new ATOM 0 HA GLU S 18 27.021 5.488 -1.467 1.00 0.00 H new ATOM 0 HB2 GLU S 18 24.300 5.078 -0.155 1.00 0.00 H new ATOM 0 HB3 GLU S 18 25.375 6.454 -0.007 1.00 0.00 H new ATOM 0 HG2 GLU S 18 23.944 5.681 -2.605 1.00 0.00 H new ATOM 0 HG3 GLU S 18 23.348 6.890 -1.486 1.00 0.00 H new ATOM 1920 N TRP S 19 25.846 2.703 -0.253 1.00 0.00 N ATOM 1921 CA TRP S 19 26.112 1.614 0.724 1.00 0.00 C ATOM 1922 C TRP S 19 27.602 1.499 1.038 1.00 0.00 C ATOM 1923 O TRP S 19 27.978 1.401 2.181 1.00 0.00 O ATOM 1924 CB TRP S 19 25.649 0.303 0.100 1.00 0.00 C ATOM 1925 CG TRP S 19 25.956 -0.837 1.061 1.00 0.00 C ATOM 1926 CD1 TRP S 19 27.069 -1.588 1.023 1.00 0.00 C ATOM 1927 CD2 TRP S 19 25.133 -1.282 2.011 1.00 0.00 C ATOM 1928 NE1 TRP S 19 26.870 -2.494 1.970 1.00 0.00 N ATOM 1929 CE2 TRP S 19 25.693 -2.383 2.628 1.00 0.00 C ATOM 1930 CE3 TRP S 19 23.875 -0.848 2.406 1.00 0.00 C ATOM 1931 CZ2 TRP S 19 25.017 -3.048 3.616 1.00 0.00 C ATOM 1932 CZ3 TRP S 19 23.195 -1.534 3.396 1.00 0.00 C ATOM 1933 CH2 TRP S 19 23.769 -2.630 4.000 1.00 0.00 C ATOM 0 H TRP S 19 25.120 2.499 -0.940 1.00 0.00 H new ATOM 0 HA TRP S 19 25.581 1.833 1.651 1.00 0.00 H new ATOM 0 HB2 TRP S 19 24.580 0.342 -0.109 1.00 0.00 H new ATOM 0 HB3 TRP S 19 26.154 0.140 -0.852 1.00 0.00 H new ATOM 0 HD1 TRP S 19 27.925 -1.479 0.373 1.00 0.00 H new ATOM 0 HE1 TRP S 19 27.553 -3.220 2.186 1.00 0.00 H new ATOM 0 HE3 TRP S 19 23.430 0.020 1.943 1.00 0.00 H new ATOM 0 HZ2 TRP S 19 25.468 -3.905 4.094 1.00 0.00 H new ATOM 0 HZ3 TRP S 19 22.210 -1.209 3.696 1.00 0.00 H new ATOM 0 HH2 TRP S 19 23.237 -3.160 4.776 1.00 0.00 H new ATOM 1944 N LEU S 20 28.422 1.512 0.016 1.00 0.00 N ATOM 1945 CA LEU S 20 29.893 1.404 0.256 1.00 0.00 C ATOM 1946 C LEU S 20 30.494 2.757 0.631 1.00 0.00 C ATOM 1947 O LEU S 20 31.149 2.904 1.642 1.00 0.00 O ATOM 1948 CB LEU S 20 30.581 0.959 -1.048 1.00 0.00 C ATOM 1949 CG LEU S 20 30.004 -0.369 -1.545 1.00 0.00 C ATOM 1950 CD1 LEU S 20 30.266 -0.491 -3.049 1.00 0.00 C ATOM 1951 CD2 LEU S 20 30.700 -1.530 -0.826 1.00 0.00 C ATOM 0 H LEU S 20 28.141 1.592 -0.961 1.00 0.00 H new ATOM 0 HA LEU S 20 30.046 0.692 1.067 1.00 0.00 H new ATOM 0 HB2 LEU S 20 30.451 1.725 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU S 20 31.653 0.854 -0.881 1.00 0.00 H new ATOM 0 HG LEU S 20 28.933 -0.401 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU S 20 29.859 -1.434 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU S 20 29.786 0.337 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU S 20 31.340 -0.463 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU S 20 30.289 -2.476 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU S 20 31.769 -1.498 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU S 20 30.537 -1.443 0.248 1.00 0.00 H new ATOM 1963 N ARG S 21 30.257 3.714 -0.211 1.00 0.00 N ATOM 1964 CA ARG S 21 30.782 5.086 0.025 1.00 0.00 C ATOM 1965 C ARG S 21 30.678 5.562 1.482 1.00 0.00 C ATOM 1966 O ARG S 21 31.645 6.035 2.044 1.00 0.00 O ATOM 1967 CB ARG S 21 29.963 6.048 -0.839 1.00 0.00 C ATOM 1968 CG ARG S 21 30.885 7.153 -1.363 1.00 0.00 C ATOM 1969 CD ARG S 21 30.055 8.344 -1.865 1.00 0.00 C ATOM 1970 NE ARG S 21 30.375 8.586 -3.300 1.00 0.00 N ATOM 1971 CZ ARG S 21 29.915 7.773 -4.214 1.00 0.00 C ATOM 1972 NH1 ARG S 21 28.931 6.964 -3.916 1.00 0.00 N ATOM 1973 NH2 ARG S 21 30.462 7.789 -5.399 1.00 0.00 N ATOM 0 H ARG S 21 29.714 3.606 -1.067 1.00 0.00 H new ATOM 0 HA ARG S 21 31.843 5.068 -0.225 1.00 0.00 H new ATOM 0 HB2 ARG S 21 29.507 5.512 -1.671 1.00 0.00 H new ATOM 0 HB3 ARG S 21 29.151 6.481 -0.255 1.00 0.00 H new ATOM 0 HG2 ARG S 21 31.560 7.479 -0.572 1.00 0.00 H new ATOM 0 HG3 ARG S 21 31.505 6.766 -2.172 1.00 0.00 H new ATOM 0 HD2 ARG S 21 28.991 8.139 -1.746 1.00 0.00 H new ATOM 0 HD3 ARG S 21 30.276 9.233 -1.275 1.00 0.00 H new ATOM 0 HE ARG S 21 30.951 9.384 -3.568 1.00 0.00 H new ATOM 0 HH11 ARG S 21 28.531 6.972 -2.978 1.00 0.00 H new ATOM 0 HH12 ARG S 21 28.564 6.325 -4.622 1.00 0.00 H new ATOM 0 HH21 ARG S 21 31.233 8.427 -5.596 1.00 0.00 H new ATOM 0 HH22 ARG S 21 30.119 7.163 -6.128 1.00 0.00 H new ATOM 1987 N PHE S 22 29.521 5.427 2.070 1.00 0.00 N ATOM 1988 CA PHE S 22 29.365 5.885 3.486 1.00 0.00 C ATOM 1989 C PHE S 22 29.845 4.883 4.540 1.00 0.00 C ATOM 1990 O PHE S 22 30.788 5.158 5.253 1.00 0.00 O ATOM 1991 CB PHE S 22 27.879 6.158 3.724 1.00 0.00 C ATOM 1992 CG PHE S 22 27.623 6.279 5.226 1.00 0.00 C ATOM 1993 CD1 PHE S 22 28.058 7.389 5.926 1.00 0.00 C ATOM 1994 CD2 PHE S 22 26.950 5.280 5.902 1.00 0.00 C ATOM 1995 CE1 PHE S 22 27.823 7.496 7.281 1.00 0.00 C ATOM 1996 CE2 PHE S 22 26.717 5.386 7.257 1.00 0.00 C ATOM 1997 CZ PHE S 22 27.153 6.496 7.947 1.00 0.00 C ATOM 0 H PHE S 22 28.686 5.026 1.642 1.00 0.00 H new ATOM 0 HA PHE S 22 29.992 6.769 3.602 1.00 0.00 H new ATOM 0 HB2 PHE S 22 27.580 7.076 3.217 1.00 0.00 H new ATOM 0 HB3 PHE S 22 27.277 5.352 3.304 1.00 0.00 H new ATOM 0 HD1 PHE S 22 28.585 8.177 5.409 1.00 0.00 H new ATOM 0 HD2 PHE S 22 26.604 4.409 5.365 1.00 0.00 H new ATOM 0 HE1 PHE S 22 28.166 8.367 7.820 1.00 0.00 H new ATOM 0 HE2 PHE S 22 26.192 4.598 7.778 1.00 0.00 H new ATOM 0 HZ PHE S 22 26.969 6.581 9.008 1.00 0.00 H new ATOM 2007 N VAL S 23 29.177 3.761 4.634 1.00 0.00 N ATOM 2008 CA VAL S 23 29.583 2.732 5.645 1.00 0.00 C ATOM 2009 C VAL S 23 31.097 2.688 5.840 1.00 0.00 C ATOM 2010 O VAL S 23 31.572 2.531 6.947 1.00 0.00 O ATOM 2011 CB VAL S 23 29.107 1.344 5.191 1.00 0.00 C ATOM 2012 CG1 VAL S 23 27.604 1.391 4.875 1.00 0.00 C ATOM 2013 CG2 VAL S 23 29.902 0.923 3.953 1.00 0.00 C ATOM 0 H VAL S 23 28.372 3.512 4.059 1.00 0.00 H new ATOM 0 HA VAL S 23 29.121 3.009 6.593 1.00 0.00 H new ATOM 0 HB VAL S 23 29.271 0.616 5.985 1.00 0.00 H new ATOM 0 HG11 VAL S 23 27.269 0.405 4.553 1.00 0.00 H new ATOM 0 HG12 VAL S 23 27.054 1.688 5.768 1.00 0.00 H new ATOM 0 HG13 VAL S 23 27.422 2.114 4.080 1.00 0.00 H new ATOM 0 HG21 VAL S 23 29.570 -0.062 3.625 1.00 0.00 H new ATOM 0 HG22 VAL S 23 29.740 1.646 3.153 1.00 0.00 H new ATOM 0 HG23 VAL S 23 30.963 0.885 4.198 1.00 0.00 H new ATOM 2023 N ASP S 24 31.830 2.826 4.770 1.00 0.00 N ATOM 2024 CA ASP S 24 33.305 2.792 4.908 1.00 0.00 C ATOM 2025 C ASP S 24 33.765 3.893 5.860 1.00 0.00 C ATOM 2026 O ASP S 24 34.602 3.673 6.711 1.00 0.00 O ATOM 2027 CB ASP S 24 33.933 3.021 3.529 1.00 0.00 C ATOM 2028 CG ASP S 24 34.685 1.758 3.103 1.00 0.00 C ATOM 2029 OD1 ASP S 24 35.489 1.311 3.904 1.00 0.00 O ATOM 2030 OD2 ASP S 24 34.413 1.311 2.001 1.00 0.00 O ATOM 0 H ASP S 24 31.475 2.959 3.823 1.00 0.00 H new ATOM 0 HA ASP S 24 33.612 1.826 5.307 1.00 0.00 H new ATOM 0 HB2 ASP S 24 33.160 3.262 2.799 1.00 0.00 H new ATOM 0 HB3 ASP S 24 34.615 3.871 3.563 1.00 0.00 H new ATOM 2035 N LEU S 25 33.206 5.062 5.695 1.00 0.00 N ATOM 2036 CA LEU S 25 33.595 6.186 6.584 1.00 0.00 C ATOM 2037 C LEU S 25 33.202 5.876 8.029 1.00 0.00 C ATOM 2038 O LEU S 25 33.928 6.169 8.958 1.00 0.00 O ATOM 2039 CB LEU S 25 32.847 7.446 6.134 1.00 0.00 C ATOM 2040 CG LEU S 25 33.021 7.634 4.625 1.00 0.00 C ATOM 2041 CD1 LEU S 25 32.291 8.906 4.187 1.00 0.00 C ATOM 2042 CD2 LEU S 25 34.510 7.775 4.303 1.00 0.00 C ATOM 0 H LEU S 25 32.504 5.283 4.989 1.00 0.00 H new ATOM 0 HA LEU S 25 34.674 6.333 6.528 1.00 0.00 H new ATOM 0 HB2 LEU S 25 31.789 7.361 6.381 1.00 0.00 H new ATOM 0 HB3 LEU S 25 33.229 8.317 6.666 1.00 0.00 H new ATOM 0 HG LEU S 25 32.609 6.773 4.099 1.00 0.00 H new ATOM 0 HD11 LEU S 25 32.413 9.044 3.113 1.00 0.00 H new ATOM 0 HD12 LEU S 25 31.231 8.817 4.424 1.00 0.00 H new ATOM 0 HD13 LEU S 25 32.709 9.765 4.712 1.00 0.00 H new ATOM 0 HD21 LEU S 25 34.639 7.909 3.229 1.00 0.00 H new ATOM 0 HD22 LEU S 25 34.915 8.640 4.828 1.00 0.00 H new ATOM 0 HD23 LEU S 25 35.038 6.876 4.622 1.00 0.00 H new ATOM 2054 N LEU S 26 32.048 5.291 8.192 1.00 0.00 N ATOM 2055 CA LEU S 26 31.599 4.960 9.564 1.00 0.00 C ATOM 2056 C LEU S 26 32.678 4.159 10.289 1.00 0.00 C ATOM 2057 O LEU S 26 32.923 4.364 11.460 1.00 0.00 O ATOM 2058 CB LEU S 26 30.318 4.108 9.464 1.00 0.00 C ATOM 2059 CG LEU S 26 29.723 3.866 10.863 1.00 0.00 C ATOM 2060 CD1 LEU S 26 28.871 5.071 11.278 1.00 0.00 C ATOM 2061 CD2 LEU S 26 28.833 2.621 10.820 1.00 0.00 C ATOM 0 H LEU S 26 31.407 5.032 7.442 1.00 0.00 H new ATOM 0 HA LEU S 26 31.407 5.878 10.119 1.00 0.00 H new ATOM 0 HB2 LEU S 26 29.586 4.613 8.833 1.00 0.00 H new ATOM 0 HB3 LEU S 26 30.545 3.154 8.988 1.00 0.00 H new ATOM 0 HG LEU S 26 30.531 3.726 11.581 1.00 0.00 H new ATOM 0 HD11 LEU S 26 28.451 4.896 12.269 1.00 0.00 H new ATOM 0 HD12 LEU S 26 29.493 5.966 11.300 1.00 0.00 H new ATOM 0 HD13 LEU S 26 28.062 5.209 10.561 1.00 0.00 H new ATOM 0 HD21 LEU S 26 28.408 2.443 11.808 1.00 0.00 H new ATOM 0 HD22 LEU S 26 28.028 2.774 10.101 1.00 0.00 H new ATOM 0 HD23 LEU S 26 29.428 1.758 10.521 1.00 0.00 H new ATOM 2073 N LYS S 27 33.313 3.273 9.572 1.00 0.00 N ATOM 2074 CA LYS S 27 34.375 2.451 10.201 1.00 0.00 C ATOM 2075 C LYS S 27 35.595 3.296 10.587 1.00 0.00 C ATOM 2076 O LYS S 27 36.299 2.970 11.523 1.00 0.00 O ATOM 2077 CB LYS S 27 34.785 1.355 9.194 1.00 0.00 C ATOM 2078 CG LYS S 27 36.143 1.675 8.553 1.00 0.00 C ATOM 2079 CD LYS S 27 36.378 0.726 7.377 1.00 0.00 C ATOM 2080 CE LYS S 27 37.671 1.133 6.662 1.00 0.00 C ATOM 2081 NZ LYS S 27 38.824 1.106 7.605 1.00 0.00 N ATOM 0 H LYS S 27 33.141 3.086 8.584 1.00 0.00 H new ATOM 0 HA LYS S 27 33.990 2.010 11.121 1.00 0.00 H new ATOM 0 HB2 LYS S 27 34.836 0.391 9.701 1.00 0.00 H new ATOM 0 HB3 LYS S 27 34.025 1.267 8.418 1.00 0.00 H new ATOM 0 HG2 LYS S 27 36.163 2.710 8.211 1.00 0.00 H new ATOM 0 HG3 LYS S 27 36.940 1.567 9.288 1.00 0.00 H new ATOM 0 HD2 LYS S 27 36.451 -0.302 7.731 1.00 0.00 H new ATOM 0 HD3 LYS S 27 35.536 0.766 6.686 1.00 0.00 H new ATOM 0 HE2 LYS S 27 37.860 0.456 5.829 1.00 0.00 H new ATOM 0 HE3 LYS S 27 37.561 2.133 6.242 1.00 0.00 H new ATOM 0 HZ1 LYS S 27 39.713 1.098 7.066 1.00 0.00 H new ATOM 0 HZ2 LYS S 27 38.795 1.949 8.213 1.00 0.00 H new ATOM 0 HZ3 LYS S 27 38.770 0.252 8.196 1.00 0.00 H new ATOM 2095 N ASN S 28 35.824 4.363 9.865 1.00 0.00 N ATOM 2096 CA ASN S 28 36.996 5.221 10.194 1.00 0.00 C ATOM 2097 C ASN S 28 36.814 5.894 11.550 1.00 0.00 C ATOM 2098 O ASN S 28 37.717 5.916 12.361 1.00 0.00 O ATOM 2099 CB ASN S 28 37.143 6.303 9.117 1.00 0.00 C ATOM 2100 CG ASN S 28 38.009 5.767 7.973 1.00 0.00 C ATOM 2101 OD1 ASN S 28 37.542 5.564 6.869 1.00 0.00 O ATOM 2102 ND2 ASN S 28 39.273 5.526 8.192 1.00 0.00 N ATOM 0 H ASN S 28 35.259 4.672 9.074 1.00 0.00 H new ATOM 0 HA ASN S 28 37.887 4.594 10.231 1.00 0.00 H new ATOM 0 HB2 ASN S 28 36.162 6.593 8.740 1.00 0.00 H new ATOM 0 HB3 ASN S 28 37.597 7.197 9.544 1.00 0.00 H new ATOM 0 HD21 ASN S 28 39.862 5.170 7.439 1.00 0.00 H new ATOM 0 HD22 ASN S 28 39.672 5.694 9.116 1.00 0.00 H new ATOM 2109 N ALA S 29 35.649 6.432 11.772 1.00 0.00 N ATOM 2110 CA ALA S 29 35.401 7.106 13.073 1.00 0.00 C ATOM 2111 C ALA S 29 35.460 6.082 14.199 1.00 0.00 C ATOM 2112 O ALA S 29 35.972 6.353 15.266 1.00 0.00 O ATOM 2113 CB ALA S 29 34.001 7.725 13.032 1.00 0.00 C ATOM 0 H ALA S 29 34.867 6.435 11.117 1.00 0.00 H new ATOM 0 HA ALA S 29 36.155 7.874 13.246 1.00 0.00 H new ATOM 0 HB1 ALA S 29 33.797 8.226 13.978 1.00 0.00 H new ATOM 0 HB2 ALA S 29 33.947 8.449 12.219 1.00 0.00 H new ATOM 0 HB3 ALA S 29 33.261 6.941 12.870 1.00 0.00 H new ATOM 2119 N TYR S 30 34.922 4.923 13.936 1.00 0.00 N ATOM 2120 CA TYR S 30 34.932 3.858 14.966 1.00 0.00 C ATOM 2121 C TYR S 30 36.318 3.728 15.584 1.00 0.00 C ATOM 2122 O TYR S 30 36.595 4.344 16.597 1.00 0.00 O ATOM 2123 CB TYR S 30 34.561 2.521 14.293 1.00 0.00 C ATOM 2124 CG TYR S 30 33.131 2.111 14.666 1.00 0.00 C ATOM 2125 CD1 TYR S 30 32.847 1.650 15.934 1.00 0.00 C ATOM 2126 CD2 TYR S 30 32.117 2.154 13.729 1.00 0.00 C ATOM 2127 CE1 TYR S 30 31.573 1.235 16.261 1.00 0.00 C ATOM 2128 CE2 TYR S 30 30.841 1.739 14.056 1.00 0.00 C ATOM 2129 CZ TYR S 30 30.560 1.277 15.325 1.00 0.00 C ATOM 2130 OH TYR S 30 29.286 0.857 15.652 1.00 0.00 O ATOM 0 H TYR S 30 34.478 4.672 13.053 1.00 0.00 H new ATOM 0 HA TYR S 30 34.217 4.110 15.749 1.00 0.00 H new ATOM 0 HB2 TYR S 30 34.648 2.615 13.211 1.00 0.00 H new ATOM 0 HB3 TYR S 30 35.261 1.745 14.603 1.00 0.00 H new ATOM 0 HD1 TYR S 30 33.629 1.614 16.678 1.00 0.00 H new ATOM 0 HD2 TYR S 30 32.324 2.515 12.732 1.00 0.00 H new ATOM 0 HE1 TYR S 30 31.367 0.874 17.258 1.00 0.00 H new ATOM 0 HE2 TYR S 30 30.058 1.776 13.313 1.00 0.00 H new ATOM 0 HH TYR S 30 28.699 0.957 14.874 1.00 0.00 H new ATOM 2140 N GLN S 31 37.167 3.008 14.875 1.00 0.00 N ATOM 2141 CA GLN S 31 38.577 2.752 15.309 1.00 0.00 C ATOM 2142 C GLN S 31 39.048 3.686 16.408 1.00 0.00 C ATOM 2143 O GLN S 31 39.262 3.277 17.531 1.00 0.00 O ATOM 2144 CB GLN S 31 39.482 2.948 14.085 1.00 0.00 C ATOM 2145 CG GLN S 31 40.898 2.459 14.404 1.00 0.00 C ATOM 2146 CD GLN S 31 41.364 1.521 13.290 1.00 0.00 C ATOM 2147 OE1 GLN S 31 41.064 0.345 13.289 1.00 0.00 O ATOM 2148 NE2 GLN S 31 42.094 2.002 12.321 1.00 0.00 N ATOM 0 H GLN S 31 36.926 2.575 13.983 1.00 0.00 H new ATOM 0 HA GLN S 31 38.623 1.740 15.711 1.00 0.00 H new ATOM 0 HB2 GLN S 31 39.081 2.399 13.233 1.00 0.00 H new ATOM 0 HB3 GLN S 31 39.506 4.001 13.803 1.00 0.00 H new ATOM 0 HG2 GLN S 31 41.578 3.306 14.492 1.00 0.00 H new ATOM 0 HG3 GLN S 31 40.910 1.940 15.363 1.00 0.00 H new ATOM 0 HE21 GLN S 31 42.349 2.990 12.317 1.00 0.00 H new ATOM 0 HE22 GLN S 31 42.409 1.390 11.568 1.00 0.00 H new ATOM 2157 N ASN S 32 39.204 4.917 16.058 1.00 0.00 N ATOM 2158 CA ASN S 32 39.657 5.911 17.046 1.00 0.00 C ATOM 2159 C ASN S 32 38.542 6.238 18.019 1.00 0.00 C ATOM 2160 O ASN S 32 38.475 7.341 18.522 1.00 0.00 O ATOM 2161 CB ASN S 32 40.025 7.178 16.305 1.00 0.00 C ATOM 2162 CG ASN S 32 41.179 6.892 15.340 1.00 0.00 C ATOM 2163 OD1 ASN S 32 41.118 7.216 14.169 1.00 0.00 O ATOM 2164 ND2 ASN S 32 42.242 6.284 15.788 1.00 0.00 N ATOM 0 H ASN S 32 39.036 5.282 15.120 1.00 0.00 H new ATOM 0 HA ASN S 32 40.507 5.509 17.597 1.00 0.00 H new ATOM 0 HB2 ASN S 32 39.162 7.553 15.755 1.00 0.00 H new ATOM 0 HB3 ASN S 32 40.314 7.955 17.013 1.00 0.00 H new ATOM 0 HD21 ASN S 32 43.018 6.082 15.157 1.00 0.00 H new ATOM 0 HD22 ASN S 32 42.298 6.010 16.769 1.00 0.00 H new ATOM 2171 N ASP S 33 37.735 5.251 18.313 1.00 0.00 N ATOM 2172 CA ASP S 33 36.600 5.454 19.250 1.00 0.00 C ATOM 2173 C ASP S 33 36.047 6.871 19.149 1.00 0.00 C ATOM 2174 O ASP S 33 35.487 7.408 20.086 1.00 0.00 O ATOM 2175 CB ASP S 33 37.170 5.259 20.641 1.00 0.00 C ATOM 2176 CG ASP S 33 36.538 4.026 21.290 1.00 0.00 C ATOM 2177 OD1 ASP S 33 36.802 2.950 20.780 1.00 0.00 O ATOM 2178 OD2 ASP S 33 35.823 4.231 22.258 1.00 0.00 O ATOM 0 H ASP S 33 37.818 4.306 17.938 1.00 0.00 H new ATOM 0 HA ASP S 33 35.790 4.762 19.020 1.00 0.00 H new ATOM 0 HB2 ASP S 33 38.252 5.139 20.587 1.00 0.00 H new ATOM 0 HB3 ASP S 33 36.977 6.142 21.250 1.00 0.00 H new ATOM 2183 N LEU S 34 36.197 7.436 17.991 1.00 0.00 N ATOM 2184 CA LEU S 34 35.698 8.815 17.784 1.00 0.00 C ATOM 2185 C LEU S 34 34.292 8.772 17.220 1.00 0.00 C ATOM 2186 O LEU S 34 33.776 9.756 16.730 1.00 0.00 O ATOM 2187 CB LEU S 34 36.623 9.504 16.776 1.00 0.00 C ATOM 2188 CG LEU S 34 37.231 10.764 17.399 1.00 0.00 C ATOM 2189 CD1 LEU S 34 38.326 10.361 18.393 1.00 0.00 C ATOM 2190 CD2 LEU S 34 37.852 11.607 16.289 1.00 0.00 C ATOM 0 H LEU S 34 36.642 7.004 17.181 1.00 0.00 H new ATOM 0 HA LEU S 34 35.684 9.356 18.730 1.00 0.00 H new ATOM 0 HB2 LEU S 34 37.415 8.821 16.471 1.00 0.00 H new ATOM 0 HB3 LEU S 34 36.064 9.766 15.877 1.00 0.00 H new ATOM 0 HG LEU S 34 36.459 11.333 17.917 1.00 0.00 H new ATOM 0 HD11 LEU S 34 38.761 11.256 18.838 1.00 0.00 H new ATOM 0 HD12 LEU S 34 37.895 9.739 19.177 1.00 0.00 H new ATOM 0 HD13 LEU S 34 39.103 9.801 17.872 1.00 0.00 H new ATOM 0 HD21 LEU S 34 38.289 12.509 16.718 1.00 0.00 H new ATOM 0 HD22 LEU S 34 38.629 11.031 15.786 1.00 0.00 H new ATOM 0 HD23 LEU S 34 37.082 11.885 15.569 1.00 0.00 H new ATOM 2202 N HIS S 35 33.705 7.616 17.298 1.00 0.00 N ATOM 2203 CA HIS S 35 32.325 7.459 16.772 1.00 0.00 C ATOM 2204 C HIS S 35 31.254 7.552 17.849 1.00 0.00 C ATOM 2205 O HIS S 35 30.097 7.362 17.561 1.00 0.00 O ATOM 2206 CB HIS S 35 32.220 6.066 16.173 1.00 0.00 C ATOM 2207 CG HIS S 35 32.398 5.038 17.298 1.00 0.00 C ATOM 2208 ND1 HIS S 35 33.295 5.081 18.200 1.00 0.00 N ATOM 2209 CD2 HIS S 35 31.657 3.911 17.591 1.00 0.00 C ATOM 2210 CE1 HIS S 35 33.174 4.094 19.007 1.00 0.00 C ATOM 2211 NE2 HIS S 35 32.157 3.310 18.686 1.00 0.00 N ATOM 0 H HIS S 35 34.118 6.775 17.701 1.00 0.00 H new ATOM 0 HA HIS S 35 32.157 8.263 16.056 1.00 0.00 H new ATOM 0 HB2 HIS S 35 31.253 5.934 15.689 1.00 0.00 H new ATOM 0 HB3 HIS S 35 32.982 5.925 15.407 1.00 0.00 H new ATOM 0 HD2 HIS S 35 30.804 3.564 17.026 1.00 0.00 H new ATOM 0 HE1 HIS S 35 33.826 3.922 19.851 1.00 0.00 H new ATOM 0 HE2 HIS S 35 31.833 2.462 19.152 1.00 0.00 H new ATOM 2219 N LEU S 36 31.619 7.840 19.061 1.00 0.00 N ATOM 2220 CA LEU S 36 30.551 7.919 20.087 1.00 0.00 C ATOM 2221 C LEU S 36 29.362 8.762 19.607 1.00 0.00 C ATOM 2222 O LEU S 36 28.238 8.306 19.660 1.00 0.00 O ATOM 2223 CB LEU S 36 31.111 8.486 21.400 1.00 0.00 C ATOM 2224 CG LEU S 36 31.049 7.419 22.511 1.00 0.00 C ATOM 2225 CD1 LEU S 36 29.576 7.153 22.900 1.00 0.00 C ATOM 2226 CD2 LEU S 36 31.730 6.117 22.039 1.00 0.00 C ATOM 0 H LEU S 36 32.572 8.018 19.379 1.00 0.00 H new ATOM 0 HA LEU S 36 30.188 6.906 20.262 1.00 0.00 H new ATOM 0 HB2 LEU S 36 32.141 8.810 21.254 1.00 0.00 H new ATOM 0 HB3 LEU S 36 30.539 9.365 21.698 1.00 0.00 H new ATOM 0 HG LEU S 36 31.582 7.785 23.388 1.00 0.00 H new ATOM 0 HD11 LEU S 36 29.538 6.398 23.685 1.00 0.00 H new ATOM 0 HD12 LEU S 36 29.123 8.076 23.261 1.00 0.00 H new ATOM 0 HD13 LEU S 36 29.028 6.797 22.028 1.00 0.00 H new ATOM 0 HD21 LEU S 36 31.679 5.372 22.833 1.00 0.00 H new ATOM 0 HD22 LEU S 36 31.219 5.739 21.153 1.00 0.00 H new ATOM 0 HD23 LEU S 36 32.773 6.319 21.797 1.00 0.00 H new ATOM 2238 N PRO S 37 29.599 9.973 19.144 1.00 0.00 N ATOM 2239 CA PRO S 37 28.490 10.809 18.672 1.00 0.00 C ATOM 2240 C PRO S 37 27.812 10.160 17.467 1.00 0.00 C ATOM 2241 O PRO S 37 26.675 9.745 17.554 1.00 0.00 O ATOM 2242 CB PRO S 37 29.131 12.134 18.258 1.00 0.00 C ATOM 2243 CG PRO S 37 30.648 12.034 18.551 1.00 0.00 C ATOM 2244 CD PRO S 37 30.933 10.615 19.069 1.00 0.00 C ATOM 0 HA PRO S 37 27.728 10.943 19.440 1.00 0.00 H new ATOM 0 HB2 PRO S 37 28.958 12.329 17.200 1.00 0.00 H new ATOM 0 HB3 PRO S 37 28.688 12.962 18.811 1.00 0.00 H new ATOM 0 HG2 PRO S 37 31.226 12.235 17.649 1.00 0.00 H new ATOM 0 HG3 PRO S 37 30.944 12.778 19.291 1.00 0.00 H new ATOM 0 HD2 PRO S 37 31.597 10.073 18.396 1.00 0.00 H new ATOM 0 HD3 PRO S 37 31.418 10.639 20.045 1.00 0.00 H new ATOM 2252 N LEU S 38 28.513 10.096 16.358 1.00 0.00 N ATOM 2253 CA LEU S 38 27.906 9.472 15.155 1.00 0.00 C ATOM 2254 C LEU S 38 27.212 8.187 15.561 1.00 0.00 C ATOM 2255 O LEU S 38 26.062 7.960 15.250 1.00 0.00 O ATOM 2256 CB LEU S 38 29.024 9.140 14.168 1.00 0.00 C ATOM 2257 CG LEU S 38 28.720 9.822 12.836 1.00 0.00 C ATOM 2258 CD1 LEU S 38 29.897 9.610 11.884 1.00 0.00 C ATOM 2259 CD2 LEU S 38 27.452 9.219 12.219 1.00 0.00 C ATOM 0 H LEU S 38 29.464 10.445 16.242 1.00 0.00 H new ATOM 0 HA LEU S 38 27.186 10.152 14.699 1.00 0.00 H new ATOM 0 HB2 LEU S 38 29.984 9.480 14.556 1.00 0.00 H new ATOM 0 HB3 LEU S 38 29.100 8.061 14.032 1.00 0.00 H new ATOM 0 HG LEU S 38 28.565 10.888 13.002 1.00 0.00 H new ATOM 0 HD11 LEU S 38 29.686 10.095 10.931 1.00 0.00 H new ATOM 0 HD12 LEU S 38 30.799 10.041 12.319 1.00 0.00 H new ATOM 0 HD13 LEU S 38 30.047 8.542 11.723 1.00 0.00 H new ATOM 0 HD21 LEU S 38 27.241 9.710 11.269 1.00 0.00 H new ATOM 0 HD22 LEU S 38 27.601 8.152 12.051 1.00 0.00 H new ATOM 0 HD23 LEU S 38 26.612 9.366 12.898 1.00 0.00 H new ATOM 2271 N LEU S 39 27.942 7.358 16.235 1.00 0.00 N ATOM 2272 CA LEU S 39 27.329 6.073 16.675 1.00 0.00 C ATOM 2273 C LEU S 39 25.964 6.341 17.316 1.00 0.00 C ATOM 2274 O LEU S 39 25.034 5.583 17.142 1.00 0.00 O ATOM 2275 CB LEU S 39 28.241 5.418 17.731 1.00 0.00 C ATOM 2276 CG LEU S 39 27.635 4.088 18.190 1.00 0.00 C ATOM 2277 CD1 LEU S 39 27.561 3.118 17.007 1.00 0.00 C ATOM 2278 CD2 LEU S 39 28.512 3.483 19.289 1.00 0.00 C ATOM 0 H LEU S 39 28.916 7.502 16.499 1.00 0.00 H new ATOM 0 HA LEU S 39 27.210 5.419 15.811 1.00 0.00 H new ATOM 0 HB2 LEU S 39 29.234 5.250 17.313 1.00 0.00 H new ATOM 0 HB3 LEU S 39 28.363 6.086 18.584 1.00 0.00 H new ATOM 0 HG LEU S 39 26.631 4.263 18.576 1.00 0.00 H new ATOM 0 HD11 LEU S 39 27.129 2.173 17.338 1.00 0.00 H new ATOM 0 HD12 LEU S 39 26.937 3.547 16.223 1.00 0.00 H new ATOM 0 HD13 LEU S 39 28.564 2.942 16.617 1.00 0.00 H new ATOM 0 HD21 LEU S 39 28.083 2.536 19.617 1.00 0.00 H new ATOM 0 HD22 LEU S 39 29.516 3.311 18.900 1.00 0.00 H new ATOM 0 HD23 LEU S 39 28.563 4.170 20.133 1.00 0.00 H new ATOM 2290 N ASN S 40 25.881 7.414 18.057 1.00 0.00 N ATOM 2291 CA ASN S 40 24.594 7.760 18.730 1.00 0.00 C ATOM 2292 C ASN S 40 23.602 8.475 17.796 1.00 0.00 C ATOM 2293 O ASN S 40 22.417 8.484 18.058 1.00 0.00 O ATOM 2294 CB ASN S 40 24.919 8.680 19.916 1.00 0.00 C ATOM 2295 CG ASN S 40 23.630 9.278 20.478 1.00 0.00 C ATOM 2296 OD1 ASN S 40 23.202 8.947 21.566 1.00 0.00 O ATOM 2297 ND2 ASN S 40 22.985 10.164 19.774 1.00 0.00 N ATOM 0 H ASN S 40 26.648 8.065 18.225 1.00 0.00 H new ATOM 0 HA ASN S 40 24.116 6.833 19.048 1.00 0.00 H new ATOM 0 HB2 ASN S 40 25.438 8.118 20.692 1.00 0.00 H new ATOM 0 HB3 ASN S 40 25.591 9.477 19.596 1.00 0.00 H new ATOM 0 HD21 ASN S 40 22.125 10.576 20.137 1.00 0.00 H new ATOM 0 HD22 ASN S 40 23.340 10.446 18.860 1.00 0.00 H new ATOM 2304 N LEU S 41 24.087 9.059 16.729 1.00 0.00 N ATOM 2305 CA LEU S 41 23.146 9.764 15.799 1.00 0.00 C ATOM 2306 C LEU S 41 22.054 8.819 15.291 1.00 0.00 C ATOM 2307 O LEU S 41 20.931 9.229 15.077 1.00 0.00 O ATOM 2308 CB LEU S 41 23.936 10.274 14.573 1.00 0.00 C ATOM 2309 CG LEU S 41 24.104 11.804 14.596 1.00 0.00 C ATOM 2310 CD1 LEU S 41 22.731 12.480 14.642 1.00 0.00 C ATOM 2311 CD2 LEU S 41 24.936 12.229 15.817 1.00 0.00 C ATOM 0 H LEU S 41 25.072 9.080 16.463 1.00 0.00 H new ATOM 0 HA LEU S 41 22.684 10.586 16.347 1.00 0.00 H new ATOM 0 HB2 LEU S 41 24.918 9.801 14.551 1.00 0.00 H new ATOM 0 HB3 LEU S 41 23.420 9.979 13.660 1.00 0.00 H new ATOM 0 HG LEU S 41 24.625 12.113 13.690 1.00 0.00 H new ATOM 0 HD11 LEU S 41 22.859 13.562 14.658 1.00 0.00 H new ATOM 0 HD12 LEU S 41 22.156 12.196 13.761 1.00 0.00 H new ATOM 0 HD13 LEU S 41 22.200 12.164 15.540 1.00 0.00 H new ATOM 0 HD21 LEU S 41 25.048 13.313 15.822 1.00 0.00 H new ATOM 0 HD22 LEU S 41 24.431 11.912 16.730 1.00 0.00 H new ATOM 0 HD23 LEU S 41 25.920 11.763 15.767 1.00 0.00 H new ATOM 2323 N MET S 42 22.402 7.574 15.109 1.00 0.00 N ATOM 2324 CA MET S 42 21.391 6.596 14.614 1.00 0.00 C ATOM 2325 C MET S 42 20.624 5.939 15.758 1.00 0.00 C ATOM 2326 O MET S 42 20.457 4.736 15.778 1.00 0.00 O ATOM 2327 CB MET S 42 22.122 5.495 13.835 1.00 0.00 C ATOM 2328 CG MET S 42 23.156 4.823 14.747 1.00 0.00 C ATOM 2329 SD MET S 42 22.807 3.136 15.308 1.00 0.00 S ATOM 2330 CE MET S 42 24.142 2.305 14.410 1.00 0.00 C ATOM 0 H MET S 42 23.333 7.194 15.280 1.00 0.00 H new ATOM 0 HA MET S 42 20.679 7.134 13.987 1.00 0.00 H new ATOM 0 HB2 MET S 42 21.408 4.756 13.472 1.00 0.00 H new ATOM 0 HB3 MET S 42 22.614 5.920 12.960 1.00 0.00 H new ATOM 0 HG2 MET S 42 24.111 4.812 14.221 1.00 0.00 H new ATOM 0 HG3 MET S 42 23.285 5.451 15.629 1.00 0.00 H new ATOM 0 HE1 MET S 42 23.931 1.237 14.351 1.00 0.00 H new ATOM 0 HE2 MET S 42 24.215 2.717 13.403 1.00 0.00 H new ATOM 0 HE3 MET S 42 25.085 2.460 14.934 1.00 0.00 H new ATOM 2340 N LEU S 43 20.167 6.730 16.687 1.00 0.00 N ATOM 2341 CA LEU S 43 19.415 6.144 17.819 1.00 0.00 C ATOM 2342 C LEU S 43 17.961 5.904 17.418 1.00 0.00 C ATOM 2343 O LEU S 43 17.589 4.806 17.075 1.00 0.00 O ATOM 2344 CB LEU S 43 19.467 7.127 18.991 1.00 0.00 C ATOM 2345 CG LEU S 43 20.520 6.649 19.998 1.00 0.00 C ATOM 2346 CD1 LEU S 43 20.724 7.728 21.063 1.00 0.00 C ATOM 2347 CD2 LEU S 43 20.042 5.361 20.675 1.00 0.00 C ATOM 0 H LEU S 43 20.282 7.743 16.709 1.00 0.00 H new ATOM 0 HA LEU S 43 19.859 5.190 18.102 1.00 0.00 H new ATOM 0 HB2 LEU S 43 19.715 8.126 18.633 1.00 0.00 H new ATOM 0 HB3 LEU S 43 18.490 7.193 19.470 1.00 0.00 H new ATOM 0 HG LEU S 43 21.458 6.458 19.476 1.00 0.00 H new ATOM 0 HD11 LEU S 43 21.472 7.393 21.782 1.00 0.00 H new ATOM 0 HD12 LEU S 43 21.064 8.648 20.588 1.00 0.00 H new ATOM 0 HD13 LEU S 43 19.782 7.912 21.579 1.00 0.00 H new ATOM 0 HD21 LEU S 43 20.793 5.025 21.390 1.00 0.00 H new ATOM 0 HD22 LEU S 43 19.104 5.551 21.197 1.00 0.00 H new ATOM 0 HD23 LEU S 43 19.888 4.589 19.921 1.00 0.00 H new ATOM 2359 N THR S 44 17.172 6.947 17.447 1.00 0.00 N ATOM 2360 CA THR S 44 15.729 6.815 17.072 1.00 0.00 C ATOM 2361 C THR S 44 15.078 5.591 17.754 1.00 0.00 C ATOM 2362 O THR S 44 15.753 4.812 18.390 1.00 0.00 O ATOM 2363 CB THR S 44 15.658 6.662 15.542 1.00 0.00 C ATOM 2364 OG1 THR S 44 17.000 6.513 15.113 1.00 0.00 O ATOM 2365 CG2 THR S 44 15.201 7.973 14.884 1.00 0.00 C ATOM 0 H THR S 44 17.464 7.887 17.715 1.00 0.00 H new ATOM 0 HA THR S 44 15.183 7.698 17.404 1.00 0.00 H new ATOM 0 HB THR S 44 14.985 5.843 15.288 1.00 0.00 H new ATOM 0 HG1 THR S 44 17.022 6.409 14.139 1.00 0.00 H new ATOM 0 HG21 THR S 44 15.158 7.842 13.803 1.00 0.00 H new ATOM 0 HG22 THR S 44 14.213 8.242 15.256 1.00 0.00 H new ATOM 0 HG23 THR S 44 15.908 8.767 15.125 1.00 0.00 H new ATOM 2373 N PRO S 45 13.765 5.448 17.648 1.00 0.00 N ATOM 2374 CA PRO S 45 13.073 4.302 18.275 1.00 0.00 C ATOM 2375 C PRO S 45 13.281 3.001 17.491 1.00 0.00 C ATOM 2376 O PRO S 45 13.516 1.955 18.062 1.00 0.00 O ATOM 2377 CB PRO S 45 11.583 4.673 18.219 1.00 0.00 C ATOM 2378 CG PRO S 45 11.444 5.931 17.329 1.00 0.00 C ATOM 2379 CD PRO S 45 12.859 6.415 16.977 1.00 0.00 C ATOM 0 HA PRO S 45 13.452 4.128 19.282 1.00 0.00 H new ATOM 0 HB2 PRO S 45 10.999 3.849 17.810 1.00 0.00 H new ATOM 0 HB3 PRO S 45 11.200 4.869 19.220 1.00 0.00 H new ATOM 0 HG2 PRO S 45 10.883 5.698 16.424 1.00 0.00 H new ATOM 0 HG3 PRO S 45 10.893 6.711 17.854 1.00 0.00 H new ATOM 0 HD2 PRO S 45 13.018 6.424 15.899 1.00 0.00 H new ATOM 0 HD3 PRO S 45 13.030 7.431 17.333 1.00 0.00 H new ATOM 2387 N ASP S 46 13.187 3.099 16.194 1.00 0.00 N ATOM 2388 CA ASP S 46 13.368 1.893 15.338 1.00 0.00 C ATOM 2389 C ASP S 46 14.703 1.196 15.600 1.00 0.00 C ATOM 2390 O ASP S 46 14.737 0.045 15.990 1.00 0.00 O ATOM 2391 CB ASP S 46 13.324 2.348 13.875 1.00 0.00 C ATOM 2392 CG ASP S 46 13.937 1.267 12.983 1.00 0.00 C ATOM 2393 OD1 ASP S 46 13.773 0.113 13.342 1.00 0.00 O ATOM 2394 OD2 ASP S 46 14.534 1.656 11.994 1.00 0.00 O ATOM 0 H ASP S 46 12.992 3.964 15.689 1.00 0.00 H new ATOM 0 HA ASP S 46 12.576 1.180 15.567 1.00 0.00 H new ATOM 0 HB2 ASP S 46 12.294 2.541 13.574 1.00 0.00 H new ATOM 0 HB3 ASP S 46 13.871 3.284 13.758 1.00 0.00 H new ATOM 2399 N GLU S 47 15.776 1.899 15.373 1.00 0.00 N ATOM 2400 CA GLU S 47 17.112 1.284 15.601 1.00 0.00 C ATOM 2401 C GLU S 47 17.361 1.023 17.089 1.00 0.00 C ATOM 2402 O GLU S 47 18.125 0.147 17.440 1.00 0.00 O ATOM 2403 CB GLU S 47 18.175 2.253 15.066 1.00 0.00 C ATOM 2404 CG GLU S 47 19.545 1.578 15.073 1.00 0.00 C ATOM 2405 CD GLU S 47 19.589 0.495 13.993 1.00 0.00 C ATOM 2406 OE1 GLU S 47 18.914 0.695 12.997 1.00 0.00 O ATOM 2407 OE2 GLU S 47 20.297 -0.471 14.224 1.00 0.00 O ATOM 0 H GLU S 47 15.787 2.864 15.043 1.00 0.00 H new ATOM 0 HA GLU S 47 17.158 0.325 15.085 1.00 0.00 H new ATOM 0 HB2 GLU S 47 17.919 2.565 14.053 1.00 0.00 H new ATOM 0 HB3 GLU S 47 18.201 3.153 15.680 1.00 0.00 H new ATOM 0 HG2 GLU S 47 20.326 2.317 14.894 1.00 0.00 H new ATOM 0 HG3 GLU S 47 19.740 1.138 16.051 1.00 0.00 H new ATOM 2414 N ARG S 48 16.716 1.778 17.939 1.00 0.00 N ATOM 2415 CA ARG S 48 16.927 1.558 19.396 1.00 0.00 C ATOM 2416 C ARG S 48 16.596 0.117 19.779 1.00 0.00 C ATOM 2417 O ARG S 48 17.343 -0.525 20.488 1.00 0.00 O ATOM 2418 CB ARG S 48 16.012 2.499 20.190 1.00 0.00 C ATOM 2419 CG ARG S 48 15.888 1.980 21.627 1.00 0.00 C ATOM 2420 CD ARG S 48 15.536 3.142 22.556 1.00 0.00 C ATOM 2421 NE ARG S 48 14.826 2.612 23.756 1.00 0.00 N ATOM 2422 CZ ARG S 48 15.473 1.865 24.611 1.00 0.00 C ATOM 2423 NH1 ARG S 48 16.499 2.368 25.242 1.00 0.00 N ATOM 2424 NH2 ARG S 48 15.069 0.641 24.813 1.00 0.00 N ATOM 0 H ARG S 48 16.065 2.523 17.692 1.00 0.00 H new ATOM 0 HA ARG S 48 17.973 1.758 19.627 1.00 0.00 H new ATOM 0 HB2 ARG S 48 16.420 3.510 20.189 1.00 0.00 H new ATOM 0 HB3 ARG S 48 15.029 2.551 19.722 1.00 0.00 H new ATOM 0 HG2 ARG S 48 15.119 1.209 21.682 1.00 0.00 H new ATOM 0 HG3 ARG S 48 16.824 1.519 21.941 1.00 0.00 H new ATOM 0 HD2 ARG S 48 16.441 3.669 22.857 1.00 0.00 H new ATOM 0 HD3 ARG S 48 14.906 3.862 22.034 1.00 0.00 H new ATOM 0 HE ARG S 48 13.842 2.831 23.908 1.00 0.00 H new ATOM 0 HH11 ARG S 48 16.785 3.331 25.065 1.00 0.00 H new ATOM 0 HH12 ARG S 48 17.015 1.798 25.913 1.00 0.00 H new ATOM 0 HH21 ARG S 48 14.260 0.281 24.307 1.00 0.00 H new ATOM 0 HH22 ARG S 48 15.562 0.044 25.477 1.00 0.00 H new ATOM 2438 N GLU S 49 15.479 -0.361 19.301 1.00 0.00 N ATOM 2439 CA GLU S 49 15.080 -1.758 19.626 1.00 0.00 C ATOM 2440 C GLU S 49 15.740 -2.750 18.665 1.00 0.00 C ATOM 2441 O GLU S 49 15.500 -3.939 18.732 1.00 0.00 O ATOM 2442 CB GLU S 49 13.547 -1.856 19.488 1.00 0.00 C ATOM 2443 CG GLU S 49 13.109 -3.324 19.557 1.00 0.00 C ATOM 2444 CD GLU S 49 11.657 -3.400 20.029 1.00 0.00 C ATOM 2445 OE1 GLU S 49 10.802 -3.169 19.189 1.00 0.00 O ATOM 2446 OE2 GLU S 49 11.484 -3.689 21.201 1.00 0.00 O ATOM 0 H GLU S 49 14.830 0.152 18.704 1.00 0.00 H new ATOM 0 HA GLU S 49 15.399 -2.004 20.639 1.00 0.00 H new ATOM 0 HB2 GLU S 49 13.065 -1.286 20.282 1.00 0.00 H new ATOM 0 HB3 GLU S 49 13.230 -1.417 18.542 1.00 0.00 H new ATOM 0 HG2 GLU S 49 13.209 -3.791 18.577 1.00 0.00 H new ATOM 0 HG3 GLU S 49 13.754 -3.876 20.241 1.00 0.00 H new ATOM 2453 N ALA S 50 16.580 -2.244 17.803 1.00 0.00 N ATOM 2454 CA ALA S 50 17.263 -3.141 16.832 1.00 0.00 C ATOM 2455 C ALA S 50 18.715 -3.423 17.223 1.00 0.00 C ATOM 2456 O ALA S 50 19.264 -4.438 16.844 1.00 0.00 O ATOM 2457 CB ALA S 50 17.252 -2.451 15.466 1.00 0.00 C ATOM 0 H ALA S 50 16.821 -1.255 17.730 1.00 0.00 H new ATOM 0 HA ALA S 50 16.734 -4.094 16.815 1.00 0.00 H new ATOM 0 HB1 ALA S 50 17.747 -3.088 14.733 1.00 0.00 H new ATOM 0 HB2 ALA S 50 16.222 -2.274 15.156 1.00 0.00 H new ATOM 0 HB3 ALA S 50 17.779 -1.499 15.535 1.00 0.00 H new ATOM 2463 N LEU S 51 19.316 -2.537 17.974 1.00 0.00 N ATOM 2464 CA LEU S 51 20.733 -2.786 18.369 1.00 0.00 C ATOM 2465 C LEU S 51 20.852 -4.036 19.238 1.00 0.00 C ATOM 2466 O LEU S 51 21.638 -4.924 18.952 1.00 0.00 O ATOM 2467 CB LEU S 51 21.281 -1.560 19.136 1.00 0.00 C ATOM 2468 CG LEU S 51 20.442 -1.289 20.402 1.00 0.00 C ATOM 2469 CD1 LEU S 51 21.025 -2.024 21.623 1.00 0.00 C ATOM 2470 CD2 LEU S 51 20.463 0.214 20.700 1.00 0.00 C ATOM 0 H LEU S 51 18.900 -1.674 18.323 1.00 0.00 H new ATOM 0 HA LEU S 51 21.318 -2.946 17.464 1.00 0.00 H new ATOM 0 HB2 LEU S 51 22.321 -1.733 19.413 1.00 0.00 H new ATOM 0 HB3 LEU S 51 21.265 -0.683 18.489 1.00 0.00 H new ATOM 0 HG LEU S 51 19.427 -1.644 20.221 1.00 0.00 H new ATOM 0 HD11 LEU S 51 20.413 -1.814 22.500 1.00 0.00 H new ATOM 0 HD12 LEU S 51 21.031 -3.097 21.433 1.00 0.00 H new ATOM 0 HD13 LEU S 51 22.044 -1.681 21.801 1.00 0.00 H new ATOM 0 HD21 LEU S 51 19.872 0.416 21.594 1.00 0.00 H new ATOM 0 HD22 LEU S 51 21.491 0.538 20.863 1.00 0.00 H new ATOM 0 HD23 LEU S 51 20.041 0.758 19.855 1.00 0.00 H new ATOM 2482 N GLY S 52 20.060 -4.101 20.270 1.00 0.00 N ATOM 2483 CA GLY S 52 20.130 -5.292 21.155 1.00 0.00 C ATOM 2484 C GLY S 52 19.895 -6.563 20.337 1.00 0.00 C ATOM 2485 O GLY S 52 20.659 -7.505 20.418 1.00 0.00 O ATOM 0 H GLY S 52 19.377 -3.392 20.536 1.00 0.00 H new ATOM 0 HA2 GLY S 52 21.104 -5.337 21.642 1.00 0.00 H new ATOM 0 HA3 GLY S 52 19.382 -5.214 21.944 1.00 0.00 H new ATOM 2489 N THR S 53 18.844 -6.563 19.564 1.00 0.00 N ATOM 2490 CA THR S 53 18.546 -7.759 18.735 1.00 0.00 C ATOM 2491 C THR S 53 19.728 -8.080 17.820 1.00 0.00 C ATOM 2492 O THR S 53 20.291 -9.153 17.881 1.00 0.00 O ATOM 2493 CB THR S 53 17.327 -7.447 17.862 1.00 0.00 C ATOM 2494 OG1 THR S 53 16.465 -6.679 18.682 1.00 0.00 O ATOM 2495 CG2 THR S 53 16.534 -8.721 17.552 1.00 0.00 C ATOM 0 H THR S 53 18.184 -5.791 19.472 1.00 0.00 H new ATOM 0 HA THR S 53 18.356 -8.612 19.387 1.00 0.00 H new ATOM 0 HB THR S 53 17.649 -6.966 16.938 1.00 0.00 H new ATOM 0 HG1 THR S 53 16.412 -5.764 18.335 1.00 0.00 H new ATOM 0 HG21 THR S 53 15.674 -8.472 16.931 1.00 0.00 H new ATOM 0 HG22 THR S 53 17.173 -9.427 17.021 1.00 0.00 H new ATOM 0 HG23 THR S 53 16.191 -9.172 18.483 1.00 0.00 H new ATOM 2503 N ARG S 54 20.080 -7.128 16.998 1.00 0.00 N ATOM 2504 CA ARG S 54 21.219 -7.336 16.061 1.00 0.00 C ATOM 2505 C ARG S 54 22.414 -7.982 16.758 1.00 0.00 C ATOM 2506 O ARG S 54 23.242 -8.600 16.120 1.00 0.00 O ATOM 2507 CB ARG S 54 21.643 -5.962 15.521 1.00 0.00 C ATOM 2508 CG ARG S 54 22.902 -6.117 14.664 1.00 0.00 C ATOM 2509 CD ARG S 54 23.083 -4.865 13.802 1.00 0.00 C ATOM 2510 NE ARG S 54 22.699 -3.663 14.595 1.00 0.00 N ATOM 2511 CZ ARG S 54 23.599 -2.752 14.855 1.00 0.00 C ATOM 2512 NH1 ARG S 54 24.747 -3.126 15.349 1.00 0.00 N ATOM 2513 NH2 ARG S 54 23.318 -1.501 14.613 1.00 0.00 N ATOM 0 H ARG S 54 19.628 -6.216 16.936 1.00 0.00 H new ATOM 0 HA ARG S 54 20.898 -8.003 15.260 1.00 0.00 H new ATOM 0 HB2 ARG S 54 20.838 -5.528 14.928 1.00 0.00 H new ATOM 0 HB3 ARG S 54 21.835 -5.278 16.348 1.00 0.00 H new ATOM 0 HG2 ARG S 54 23.774 -6.263 15.301 1.00 0.00 H new ATOM 0 HG3 ARG S 54 22.818 -7.000 14.030 1.00 0.00 H new ATOM 0 HD2 ARG S 54 24.119 -4.782 13.473 1.00 0.00 H new ATOM 0 HD3 ARG S 54 22.468 -4.935 12.905 1.00 0.00 H new ATOM 0 HE ARG S 54 21.743 -3.552 14.932 1.00 0.00 H new ATOM 0 HH11 ARG S 54 24.929 -4.114 15.525 1.00 0.00 H new ATOM 0 HH12 ARG S 54 25.463 -2.430 15.559 1.00 0.00 H new ATOM 0 HH21 ARG S 54 22.408 -1.248 14.227 1.00 0.00 H new ATOM 0 HH22 ARG S 54 24.008 -0.776 14.810 1.00 0.00 H new ATOM 2527 N VAL S 55 22.495 -7.824 18.049 1.00 0.00 N ATOM 2528 CA VAL S 55 23.640 -8.434 18.782 1.00 0.00 C ATOM 2529 C VAL S 55 23.322 -9.847 19.289 1.00 0.00 C ATOM 2530 O VAL S 55 24.180 -10.715 19.295 1.00 0.00 O ATOM 2531 CB VAL S 55 23.953 -7.541 19.986 1.00 0.00 C ATOM 2532 CG1 VAL S 55 25.027 -8.211 20.844 1.00 0.00 C ATOM 2533 CG2 VAL S 55 24.468 -6.190 19.483 1.00 0.00 C ATOM 0 H VAL S 55 21.829 -7.307 18.622 1.00 0.00 H new ATOM 0 HA VAL S 55 24.485 -8.513 18.098 1.00 0.00 H new ATOM 0 HB VAL S 55 23.053 -7.391 20.583 1.00 0.00 H new ATOM 0 HG11 VAL S 55 25.253 -7.579 21.703 1.00 0.00 H new ATOM 0 HG12 VAL S 55 24.664 -9.178 21.191 1.00 0.00 H new ATOM 0 HG13 VAL S 55 25.930 -8.354 20.251 1.00 0.00 H new ATOM 0 HG21 VAL S 55 24.694 -5.547 20.334 1.00 0.00 H new ATOM 0 HG22 VAL S 55 25.372 -6.342 18.893 1.00 0.00 H new ATOM 0 HG23 VAL S 55 23.706 -5.718 18.863 1.00 0.00 H new ATOM 2543 N ARG S 56 22.098 -10.061 19.690 1.00 0.00 N ATOM 2544 CA ARG S 56 21.730 -11.411 20.198 1.00 0.00 C ATOM 2545 C ARG S 56 21.977 -12.485 19.145 1.00 0.00 C ATOM 2546 O ARG S 56 22.568 -13.506 19.439 1.00 0.00 O ATOM 2547 CB ARG S 56 20.243 -11.412 20.586 1.00 0.00 C ATOM 2548 CG ARG S 56 20.124 -11.626 22.101 1.00 0.00 C ATOM 2549 CD ARG S 56 18.679 -11.376 22.542 1.00 0.00 C ATOM 2550 NE ARG S 56 18.486 -9.916 22.769 1.00 0.00 N ATOM 2551 CZ ARG S 56 19.105 -9.334 23.761 1.00 0.00 C ATOM 2552 NH1 ARG S 56 18.609 -9.440 24.964 1.00 0.00 N ATOM 2553 NH2 ARG S 56 20.199 -8.665 23.513 1.00 0.00 N ATOM 0 H ARG S 56 21.348 -9.370 19.688 1.00 0.00 H new ATOM 0 HA ARG S 56 22.351 -11.635 21.065 1.00 0.00 H new ATOM 0 HB2 ARG S 56 19.779 -10.468 20.301 1.00 0.00 H new ATOM 0 HB3 ARG S 56 19.715 -12.201 20.051 1.00 0.00 H new ATOM 0 HG2 ARG S 56 20.424 -12.642 22.360 1.00 0.00 H new ATOM 0 HG3 ARG S 56 20.798 -10.951 22.628 1.00 0.00 H new ATOM 0 HD2 ARG S 56 17.986 -11.733 21.780 1.00 0.00 H new ATOM 0 HD3 ARG S 56 18.463 -11.931 23.455 1.00 0.00 H new ATOM 0 HE ARG S 56 17.876 -9.376 22.155 1.00 0.00 H new ATOM 0 HH11 ARG S 56 17.752 -9.971 25.117 1.00 0.00 H new ATOM 0 HH12 ARG S 56 19.079 -8.992 25.751 1.00 0.00 H new ATOM 0 HH21 ARG S 56 20.555 -8.604 22.559 1.00 0.00 H new ATOM 0 HH22 ARG S 56 20.698 -8.203 24.273 1.00 0.00 H new ATOM 2567 N ILE S 57 21.525 -12.247 17.942 1.00 0.00 N ATOM 2568 CA ILE S 57 21.738 -13.256 16.879 1.00 0.00 C ATOM 2569 C ILE S 57 23.174 -13.753 16.935 1.00 0.00 C ATOM 2570 O ILE S 57 23.431 -14.832 17.417 1.00 0.00 O ATOM 2571 CB ILE S 57 21.514 -12.602 15.524 1.00 0.00 C ATOM 2572 CG1 ILE S 57 21.582 -11.088 15.663 1.00 0.00 C ATOM 2573 CG2 ILE S 57 20.126 -12.999 15.014 1.00 0.00 C ATOM 2574 CD1 ILE S 57 21.554 -10.441 14.281 1.00 0.00 C ATOM 0 H ILE S 57 21.024 -11.406 17.657 1.00 0.00 H new ATOM 0 HA ILE S 57 21.047 -14.086 17.023 1.00 0.00 H new ATOM 0 HB ILE S 57 22.283 -12.931 14.825 1.00 0.00 H new ATOM 0 HG12 ILE S 57 20.743 -10.730 16.259 1.00 0.00 H new ATOM 0 HG13 ILE S 57 22.492 -10.802 16.190 1.00 0.00 H new ATOM 0 HG21 ILE S 57 19.950 -12.538 14.042 1.00 0.00 H new ATOM 0 HG22 ILE S 57 20.071 -14.083 14.916 1.00 0.00 H new ATOM 0 HG23 ILE S 57 19.368 -12.659 15.720 1.00 0.00 H new ATOM 0 HD11 ILE S 57 21.603 -9.357 14.386 1.00 0.00 H new ATOM 0 HD12 ILE S 57 22.408 -10.788 13.699 1.00 0.00 H new ATOM 0 HD13 ILE S 57 20.631 -10.715 13.770 1.00 0.00 H new ATOM 2586 N VAL S 58 24.070 -12.935 16.437 1.00 0.00 N ATOM 2587 CA VAL S 58 25.521 -13.304 16.434 1.00 0.00 C ATOM 2588 C VAL S 58 25.864 -14.210 17.610 1.00 0.00 C ATOM 2589 O VAL S 58 26.313 -15.334 17.441 1.00 0.00 O ATOM 2590 CB VAL S 58 26.326 -12.005 16.585 1.00 0.00 C ATOM 2591 CG1 VAL S 58 27.770 -12.344 16.956 1.00 0.00 C ATOM 2592 CG2 VAL S 58 26.307 -11.248 15.255 1.00 0.00 C ATOM 0 H VAL S 58 23.858 -12.024 16.031 1.00 0.00 H new ATOM 0 HA VAL S 58 25.754 -13.832 15.509 1.00 0.00 H new ATOM 0 HB VAL S 58 25.886 -11.387 17.367 1.00 0.00 H new ATOM 0 HG11 VAL S 58 28.344 -11.423 17.064 1.00 0.00 H new ATOM 0 HG12 VAL S 58 27.784 -12.893 17.898 1.00 0.00 H new ATOM 0 HG13 VAL S 58 28.213 -12.958 16.171 1.00 0.00 H new ATOM 0 HG21 VAL S 58 26.877 -10.324 15.354 1.00 0.00 H new ATOM 0 HG22 VAL S 58 26.753 -11.868 14.477 1.00 0.00 H new ATOM 0 HG23 VAL S 58 25.278 -11.012 14.985 1.00 0.00 H new ATOM 2602 N GLU S 59 25.597 -13.710 18.781 1.00 0.00 N ATOM 2603 CA GLU S 59 25.888 -14.496 20.005 1.00 0.00 C ATOM 2604 C GLU S 59 25.174 -15.850 20.052 1.00 0.00 C ATOM 2605 O GLU S 59 25.798 -16.886 19.947 1.00 0.00 O ATOM 2606 CB GLU S 59 25.426 -13.672 21.213 1.00 0.00 C ATOM 2607 CG GLU S 59 25.382 -14.571 22.450 1.00 0.00 C ATOM 2608 CD GLU S 59 25.513 -13.706 23.706 1.00 0.00 C ATOM 2609 OE1 GLU S 59 26.641 -13.349 23.999 1.00 0.00 O ATOM 2610 OE2 GLU S 59 24.476 -13.449 24.298 1.00 0.00 O ATOM 0 H GLU S 59 25.189 -12.789 18.942 1.00 0.00 H new ATOM 0 HA GLU S 59 26.959 -14.699 20.012 1.00 0.00 H new ATOM 0 HB2 GLU S 59 26.106 -12.837 21.380 1.00 0.00 H new ATOM 0 HB3 GLU S 59 24.440 -13.247 21.023 1.00 0.00 H new ATOM 0 HG2 GLU S 59 24.447 -15.130 22.475 1.00 0.00 H new ATOM 0 HG3 GLU S 59 26.189 -15.302 22.412 1.00 0.00 H new ATOM 2617 N GLU S 60 23.879 -15.811 20.203 1.00 0.00 N ATOM 2618 CA GLU S 60 23.097 -17.082 20.268 1.00 0.00 C ATOM 2619 C GLU S 60 23.042 -17.872 18.952 1.00 0.00 C ATOM 2620 O GLU S 60 22.590 -19.000 18.954 1.00 0.00 O ATOM 2621 CB GLU S 60 21.660 -16.731 20.676 1.00 0.00 C ATOM 2622 CG GLU S 60 21.407 -17.208 22.110 1.00 0.00 C ATOM 2623 CD GLU S 60 21.434 -18.738 22.150 1.00 0.00 C ATOM 2624 OE1 GLU S 60 21.022 -19.311 21.156 1.00 0.00 O ATOM 2625 OE2 GLU S 60 21.868 -19.246 23.170 1.00 0.00 O ATOM 0 H GLU S 60 23.328 -14.957 20.284 1.00 0.00 H new ATOM 0 HA GLU S 60 23.606 -17.723 20.988 1.00 0.00 H new ATOM 0 HB2 GLU S 60 21.503 -15.655 20.606 1.00 0.00 H new ATOM 0 HB3 GLU S 60 20.951 -17.201 19.994 1.00 0.00 H new ATOM 0 HG2 GLU S 60 22.166 -16.802 22.779 1.00 0.00 H new ATOM 0 HG3 GLU S 60 20.443 -16.841 22.462 1.00 0.00 H new ATOM 3131 N VAL S 94 27.418 -18.837 5.095 1.00 0.00 N ATOM 3132 CA VAL S 94 28.785 -19.407 4.984 1.00 0.00 C ATOM 3133 C VAL S 94 29.795 -18.275 4.866 1.00 0.00 C ATOM 3134 O VAL S 94 30.984 -18.467 5.032 1.00 0.00 O ATOM 3135 CB VAL S 94 28.860 -20.281 3.729 1.00 0.00 C ATOM 3136 CG1 VAL S 94 30.121 -21.141 3.794 1.00 0.00 C ATOM 3137 CG2 VAL S 94 27.635 -21.192 3.680 1.00 0.00 C ATOM 0 HA VAL S 94 29.008 -20.005 5.867 1.00 0.00 H new ATOM 0 HB VAL S 94 28.887 -19.651 2.840 1.00 0.00 H new ATOM 0 HG11 VAL S 94 30.181 -21.766 2.903 1.00 0.00 H new ATOM 0 HG12 VAL S 94 30.999 -20.497 3.845 1.00 0.00 H new ATOM 0 HG13 VAL S 94 30.084 -21.775 4.680 1.00 0.00 H new ATOM 0 HG21 VAL S 94 27.682 -21.817 2.788 1.00 0.00 H new ATOM 0 HG22 VAL S 94 27.617 -21.825 4.567 1.00 0.00 H new ATOM 0 HG23 VAL S 94 26.731 -20.584 3.650 1.00 0.00 H new ATOM 3147 N GLU S 95 29.291 -17.106 4.580 1.00 0.00 N ATOM 3148 CA GLU S 95 30.190 -15.936 4.444 1.00 0.00 C ATOM 3149 C GLU S 95 30.348 -15.246 5.794 1.00 0.00 C ATOM 3150 O GLU S 95 31.189 -14.387 5.965 1.00 0.00 O ATOM 3151 CB GLU S 95 29.562 -14.944 3.455 1.00 0.00 C ATOM 3152 CG GLU S 95 29.421 -15.614 2.088 1.00 0.00 C ATOM 3153 CD GLU S 95 30.600 -15.203 1.204 1.00 0.00 C ATOM 3154 OE1 GLU S 95 30.771 -14.005 1.054 1.00 0.00 O ATOM 3155 OE2 GLU S 95 31.261 -16.110 0.729 1.00 0.00 O ATOM 0 H GLU S 95 28.299 -16.915 4.436 1.00 0.00 H new ATOM 0 HA GLU S 95 31.166 -16.267 4.088 1.00 0.00 H new ATOM 0 HB2 GLU S 95 28.586 -14.621 3.817 1.00 0.00 H new ATOM 0 HB3 GLU S 95 30.183 -14.052 3.373 1.00 0.00 H new ATOM 0 HG2 GLU S 95 29.396 -16.698 2.201 1.00 0.00 H new ATOM 0 HG3 GLU S 95 28.481 -15.321 1.621 1.00 0.00 H new ATOM 3162 N LEU S 96 29.527 -15.642 6.729 1.00 0.00 N ATOM 3163 CA LEU S 96 29.605 -15.029 8.078 1.00 0.00 C ATOM 3164 C LEU S 96 30.605 -15.772 8.957 1.00 0.00 C ATOM 3165 O LEU S 96 31.414 -15.161 9.635 1.00 0.00 O ATOM 3166 CB LEU S 96 28.221 -15.109 8.735 1.00 0.00 C ATOM 3167 CG LEU S 96 27.818 -13.719 9.242 1.00 0.00 C ATOM 3168 CD1 LEU S 96 26.412 -13.798 9.835 1.00 0.00 C ATOM 3169 CD2 LEU S 96 28.782 -13.262 10.340 1.00 0.00 C ATOM 0 H LEU S 96 28.811 -16.359 6.615 1.00 0.00 H new ATOM 0 HA LEU S 96 29.930 -13.994 7.974 1.00 0.00 H new ATOM 0 HB2 LEU S 96 27.486 -15.474 8.018 1.00 0.00 H new ATOM 0 HB3 LEU S 96 28.239 -15.819 9.562 1.00 0.00 H new ATOM 0 HG LEU S 96 27.848 -13.013 8.412 1.00 0.00 H new ATOM 0 HD11 LEU S 96 26.115 -12.814 10.199 1.00 0.00 H new ATOM 0 HD12 LEU S 96 25.712 -14.128 9.068 1.00 0.00 H new ATOM 0 HD13 LEU S 96 26.405 -14.508 10.662 1.00 0.00 H new ATOM 0 HD21 LEU S 96 28.488 -12.274 10.694 1.00 0.00 H new ATOM 0 HD22 LEU S 96 28.750 -13.969 11.169 1.00 0.00 H new ATOM 0 HD23 LEU S 96 29.795 -13.217 9.940 1.00 0.00 H new ATOM 3181 N ARG S 97 30.530 -17.079 8.944 1.00 0.00 N ATOM 3182 CA ARG S 97 31.468 -17.858 9.768 1.00 0.00 C ATOM 3183 C ARG S 97 32.881 -17.364 9.517 1.00 0.00 C ATOM 3184 O ARG S 97 33.755 -17.500 10.350 1.00 0.00 O ATOM 3185 CB ARG S 97 31.369 -19.323 9.342 1.00 0.00 C ATOM 3186 CG ARG S 97 29.953 -19.843 9.602 1.00 0.00 C ATOM 3187 CD ARG S 97 29.902 -21.348 9.308 1.00 0.00 C ATOM 3188 NE ARG S 97 31.210 -21.786 8.737 1.00 0.00 N ATOM 3189 CZ ARG S 97 31.766 -22.881 9.178 1.00 0.00 C ATOM 3190 NH1 ARG S 97 32.058 -22.972 10.448 1.00 0.00 N ATOM 3191 NH2 ARG S 97 32.008 -23.849 8.337 1.00 0.00 N ATOM 0 H ARG S 97 29.862 -17.625 8.400 1.00 0.00 H new ATOM 0 HA ARG S 97 31.227 -17.749 10.825 1.00 0.00 H new ATOM 0 HB2 ARG S 97 31.614 -19.421 8.284 1.00 0.00 H new ATOM 0 HB3 ARG S 97 32.093 -19.922 9.894 1.00 0.00 H new ATOM 0 HG2 ARG S 97 29.668 -19.653 10.637 1.00 0.00 H new ATOM 0 HG3 ARG S 97 29.238 -19.314 8.972 1.00 0.00 H new ATOM 0 HD2 ARG S 97 29.688 -21.901 10.222 1.00 0.00 H new ATOM 0 HD3 ARG S 97 29.096 -21.566 8.608 1.00 0.00 H new ATOM 0 HE ARG S 97 31.665 -21.235 8.009 1.00 0.00 H new ATOM 0 HH11 ARG S 97 31.851 -22.195 11.076 1.00 0.00 H new ATOM 0 HH12 ARG S 97 32.493 -23.820 10.812 1.00 0.00 H new ATOM 0 HH21 ARG S 97 31.763 -23.742 7.353 1.00 0.00 H new ATOM 0 HH22 ARG S 97 32.442 -24.712 8.664 1.00 0.00 H new ATOM 3205 N GLN S 98 33.073 -16.797 8.359 1.00 0.00 N ATOM 3206 CA GLN S 98 34.404 -16.279 8.008 1.00 0.00 C ATOM 3207 C GLN S 98 34.971 -15.470 9.156 1.00 0.00 C ATOM 3208 O GLN S 98 35.978 -15.823 9.738 1.00 0.00 O ATOM 3209 CB GLN S 98 34.222 -15.352 6.810 1.00 0.00 C ATOM 3210 CG GLN S 98 34.120 -16.193 5.544 1.00 0.00 C ATOM 3211 CD GLN S 98 35.524 -16.440 4.989 1.00 0.00 C ATOM 3212 OE1 GLN S 98 35.700 -16.741 3.826 1.00 0.00 O ATOM 3213 NE2 GLN S 98 36.549 -16.324 5.790 1.00 0.00 N ATOM 0 H GLN S 98 32.356 -16.674 7.644 1.00 0.00 H new ATOM 0 HA GLN S 98 35.082 -17.103 7.787 1.00 0.00 H new ATOM 0 HB2 GLN S 98 33.323 -14.748 6.934 1.00 0.00 H new ATOM 0 HB3 GLN S 98 35.062 -14.662 6.737 1.00 0.00 H new ATOM 0 HG2 GLN S 98 33.630 -17.142 5.762 1.00 0.00 H new ATOM 0 HG3 GLN S 98 33.507 -15.681 4.802 1.00 0.00 H new ATOM 0 HE21 GLN S 98 36.406 -16.071 6.768 1.00 0.00 H new ATOM 0 HE22 GLN S 98 37.492 -16.486 5.438 1.00 0.00 H new ATOM 3222 N TRP S 99 34.308 -14.394 9.463 1.00 0.00 N ATOM 3223 CA TRP S 99 34.798 -13.547 10.576 1.00 0.00 C ATOM 3224 C TRP S 99 34.333 -14.056 11.937 1.00 0.00 C ATOM 3225 O TRP S 99 35.134 -14.371 12.796 1.00 0.00 O ATOM 3226 CB TRP S 99 34.263 -12.118 10.434 1.00 0.00 C ATOM 3227 CG TRP S 99 34.807 -11.360 11.616 1.00 0.00 C ATOM 3228 CD1 TRP S 99 36.117 -11.156 11.842 1.00 0.00 C ATOM 3229 CD2 TRP S 99 34.070 -10.740 12.520 1.00 0.00 C ATOM 3230 NE1 TRP S 99 36.122 -10.372 12.906 1.00 0.00 N ATOM 3231 CE2 TRP S 99 34.899 -10.060 13.384 1.00 0.00 C ATOM 3232 CE3 TRP S 99 32.690 -10.655 12.684 1.00 0.00 C ATOM 3233 CZ2 TRP S 99 34.375 -9.302 14.374 1.00 0.00 C ATOM 3234 CZ3 TRP S 99 32.179 -9.875 13.691 1.00 0.00 C ATOM 3235 CH2 TRP S 99 33.035 -9.195 14.523 1.00 0.00 C ATOM 0 H TRP S 99 33.460 -14.069 8.998 1.00 0.00 H new ATOM 0 HA TRP S 99 35.886 -13.577 10.523 1.00 0.00 H new ATOM 0 HB2 TRP S 99 34.590 -11.669 9.496 1.00 0.00 H new ATOM 0 HB3 TRP S 99 33.173 -12.107 10.429 1.00 0.00 H new ATOM 0 HD1 TRP S 99 36.961 -11.540 11.288 1.00 0.00 H new ATOM 0 HE1 TRP S 99 36.983 -10.029 13.333 1.00 0.00 H new ATOM 0 HE3 TRP S 99 32.028 -11.198 12.025 1.00 0.00 H new ATOM 0 HZ2 TRP S 99 35.032 -8.778 15.052 1.00 0.00 H new ATOM 0 HZ3 TRP S 99 31.111 -9.796 13.829 1.00 0.00 H new ATOM 0 HH2 TRP S 99 32.633 -8.568 15.305 1.00 0.00 H new ATOM 3246 N LEU S 100 33.039 -14.105 12.098 1.00 0.00 N ATOM 3247 CA LEU S 100 32.444 -14.579 13.382 1.00 0.00 C ATOM 3248 C LEU S 100 33.308 -15.614 14.110 1.00 0.00 C ATOM 3249 O LEU S 100 33.620 -15.460 15.272 1.00 0.00 O ATOM 3250 CB LEU S 100 31.109 -15.206 13.043 1.00 0.00 C ATOM 3251 CG LEU S 100 30.040 -14.644 13.984 1.00 0.00 C ATOM 3252 CD1 LEU S 100 29.771 -13.169 13.658 1.00 0.00 C ATOM 3253 CD2 LEU S 100 28.755 -15.443 13.801 1.00 0.00 C ATOM 0 H LEU S 100 32.360 -13.834 11.387 1.00 0.00 H new ATOM 0 HA LEU S 100 32.355 -13.726 14.055 1.00 0.00 H new ATOM 0 HB2 LEU S 100 30.846 -14.995 12.006 1.00 0.00 H new ATOM 0 HB3 LEU S 100 31.166 -16.290 13.143 1.00 0.00 H new ATOM 0 HG LEU S 100 30.388 -14.720 15.014 1.00 0.00 H new ATOM 0 HD11 LEU S 100 29.009 -12.780 14.334 1.00 0.00 H new ATOM 0 HD12 LEU S 100 30.690 -12.596 13.779 1.00 0.00 H new ATOM 0 HD13 LEU S 100 29.422 -13.082 12.629 1.00 0.00 H new ATOM 0 HD21 LEU S 100 27.985 -15.052 14.466 1.00 0.00 H new ATOM 0 HD22 LEU S 100 28.418 -15.359 12.768 1.00 0.00 H new ATOM 0 HD23 LEU S 100 28.941 -16.491 14.038 1.00 0.00 H new ATOM 3265 N GLU S 101 33.659 -16.662 13.419 1.00 0.00 N ATOM 3266 CA GLU S 101 34.492 -17.709 14.052 1.00 0.00 C ATOM 3267 C GLU S 101 35.813 -17.141 14.568 1.00 0.00 C ATOM 3268 O GLU S 101 36.190 -17.366 15.699 1.00 0.00 O ATOM 3269 CB GLU S 101 34.795 -18.763 12.984 1.00 0.00 C ATOM 3270 CG GLU S 101 35.444 -19.972 13.649 1.00 0.00 C ATOM 3271 CD GLU S 101 35.646 -21.079 12.611 1.00 0.00 C ATOM 3272 OE1 GLU S 101 34.667 -21.394 11.955 1.00 0.00 O ATOM 3273 OE2 GLU S 101 36.772 -21.547 12.532 1.00 0.00 O ATOM 0 H GLU S 101 33.404 -16.834 12.447 1.00 0.00 H new ATOM 0 HA GLU S 101 33.953 -18.130 14.901 1.00 0.00 H new ATOM 0 HB2 GLU S 101 33.877 -19.060 12.477 1.00 0.00 H new ATOM 0 HB3 GLU S 101 35.459 -18.350 12.225 1.00 0.00 H new ATOM 0 HG2 GLU S 101 36.402 -19.689 14.086 1.00 0.00 H new ATOM 0 HG3 GLU S 101 34.816 -20.333 14.464 1.00 0.00 H new ATOM 3280 N GLU S 102 36.480 -16.403 13.732 1.00 0.00 N ATOM 3281 CA GLU S 102 37.780 -15.810 14.144 1.00 0.00 C ATOM 3282 C GLU S 102 37.664 -14.930 15.394 1.00 0.00 C ATOM 3283 O GLU S 102 38.634 -14.759 16.107 1.00 0.00 O ATOM 3284 CB GLU S 102 38.295 -14.945 12.988 1.00 0.00 C ATOM 3285 CG GLU S 102 38.481 -15.814 11.741 1.00 0.00 C ATOM 3286 CD GLU S 102 39.885 -16.424 11.759 1.00 0.00 C ATOM 3287 OE1 GLU S 102 40.213 -16.995 12.786 1.00 0.00 O ATOM 3288 OE2 GLU S 102 40.547 -16.285 10.745 1.00 0.00 O ATOM 0 H GLU S 102 36.183 -16.184 12.781 1.00 0.00 H new ATOM 0 HA GLU S 102 38.459 -16.628 14.383 1.00 0.00 H new ATOM 0 HB2 GLU S 102 37.590 -14.140 12.781 1.00 0.00 H new ATOM 0 HB3 GLU S 102 39.241 -14.478 13.263 1.00 0.00 H new ATOM 0 HG2 GLU S 102 37.729 -16.603 11.717 1.00 0.00 H new ATOM 0 HG3 GLU S 102 38.343 -15.214 10.841 1.00 0.00 H new ATOM 3295 N VAL S 103 36.495 -14.392 15.644 1.00 0.00 N ATOM 3296 CA VAL S 103 36.335 -13.522 16.853 1.00 0.00 C ATOM 3297 C VAL S 103 35.653 -14.241 18.022 1.00 0.00 C ATOM 3298 O VAL S 103 35.827 -13.853 19.161 1.00 0.00 O ATOM 3299 CB VAL S 103 35.475 -12.307 16.467 1.00 0.00 C ATOM 3300 CG1 VAL S 103 34.195 -12.786 15.781 1.00 0.00 C ATOM 3301 CG2 VAL S 103 35.096 -11.532 17.733 1.00 0.00 C ATOM 0 H VAL S 103 35.657 -14.514 15.075 1.00 0.00 H new ATOM 0 HA VAL S 103 37.333 -13.233 17.181 1.00 0.00 H new ATOM 0 HB VAL S 103 36.040 -11.665 15.791 1.00 0.00 H new ATOM 0 HG11 VAL S 103 33.585 -11.925 15.507 1.00 0.00 H new ATOM 0 HG12 VAL S 103 34.452 -13.349 14.884 1.00 0.00 H new ATOM 0 HG13 VAL S 103 33.634 -13.426 16.463 1.00 0.00 H new ATOM 0 HG21 VAL S 103 34.486 -10.670 17.463 1.00 0.00 H new ATOM 0 HG22 VAL S 103 34.531 -12.181 18.401 1.00 0.00 H new ATOM 0 HG23 VAL S 103 36.001 -11.193 18.237 1.00 0.00 H new ATOM 3311 N LEU S 104 34.905 -15.274 17.733 1.00 0.00 N ATOM 3312 CA LEU S 104 34.217 -16.004 18.840 1.00 0.00 C ATOM 3313 C LEU S 104 34.952 -17.284 19.238 1.00 0.00 C ATOM 3314 O LEU S 104 35.036 -17.606 20.406 1.00 0.00 O ATOM 3315 CB LEU S 104 32.799 -16.376 18.363 1.00 0.00 C ATOM 3316 CG LEU S 104 31.749 -15.727 19.282 1.00 0.00 C ATOM 3317 CD1 LEU S 104 31.651 -14.231 18.973 1.00 0.00 C ATOM 3318 CD2 LEU S 104 30.384 -16.370 19.022 1.00 0.00 C ATOM 0 H LEU S 104 34.742 -15.639 16.795 1.00 0.00 H new ATOM 0 HA LEU S 104 34.193 -15.352 19.713 1.00 0.00 H new ATOM 0 HB2 LEU S 104 32.652 -16.042 17.336 1.00 0.00 H new ATOM 0 HB3 LEU S 104 32.678 -17.459 18.366 1.00 0.00 H new ATOM 0 HG LEU S 104 32.042 -15.873 20.322 1.00 0.00 H new ATOM 0 HD11 LEU S 104 30.907 -13.773 19.625 1.00 0.00 H new ATOM 0 HD12 LEU S 104 32.620 -13.760 19.141 1.00 0.00 H new ATOM 0 HD13 LEU S 104 31.356 -14.093 17.933 1.00 0.00 H new ATOM 0 HD21 LEU S 104 29.637 -15.913 19.671 1.00 0.00 H new ATOM 0 HD22 LEU S 104 30.102 -16.217 17.980 1.00 0.00 H new ATOM 0 HD23 LEU S 104 30.440 -17.439 19.229 1.00 0.00 H new ATOM 3330 N LEU S 105 35.475 -17.993 18.276 1.00 0.00 N ATOM 3331 CA LEU S 105 36.198 -19.249 18.622 1.00 0.00 C ATOM 3332 C LEU S 105 37.215 -19.022 19.741 1.00 0.00 C ATOM 3333 O LEU S 105 37.397 -19.870 20.591 1.00 0.00 O ATOM 3334 CB LEU S 105 36.938 -19.758 17.380 1.00 0.00 C ATOM 3335 CG LEU S 105 37.125 -21.273 17.497 1.00 0.00 C ATOM 3336 CD1 LEU S 105 35.896 -21.979 16.916 1.00 0.00 C ATOM 3337 CD2 LEU S 105 38.365 -21.684 16.701 1.00 0.00 C ATOM 0 H LEU S 105 35.435 -17.763 17.283 1.00 0.00 H new ATOM 0 HA LEU S 105 35.465 -19.979 18.966 1.00 0.00 H new ATOM 0 HB2 LEU S 105 36.373 -19.517 16.480 1.00 0.00 H new ATOM 0 HB3 LEU S 105 37.906 -19.265 17.290 1.00 0.00 H new ATOM 0 HG LEU S 105 37.247 -21.552 18.544 1.00 0.00 H new ATOM 0 HD11 LEU S 105 36.024 -23.058 16.997 1.00 0.00 H new ATOM 0 HD12 LEU S 105 35.007 -21.677 17.470 1.00 0.00 H new ATOM 0 HD13 LEU S 105 35.781 -21.705 15.867 1.00 0.00 H new ATOM 0 HD21 LEU S 105 38.506 -22.762 16.779 1.00 0.00 H new ATOM 0 HD22 LEU S 105 38.233 -21.410 15.654 1.00 0.00 H new ATOM 0 HD23 LEU S 105 39.241 -21.174 17.102 1.00 0.00 H new