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 Set 1.1: S 31 GLN : amide:sc= -2.24 K(o=-4.3,f=-8.5!) USER MOD Set 1.2: S 32 ASN : amide:sc= -2.11 K(o=-4.3,f=-3.2) USER MOD Set 2.1: S 27 LYS NZ :NH3+ -136:sc= -0.512 (180deg=-0.183) USER MOD Set 2.2: S 28 ASN : amide:sc= -1.12 K(o=-1.6,f=0.45) USER MOD Single : R 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : R 17 GLN : amide:sc= -0.087 X(o=-0.087,f=-0.25) USER MOD Single : R 27 LYS NZ :NH3+ -147:sc= -1.24 (180deg=-2.82!) USER MOD Single : R 28 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.0093) USER MOD Single : R 30 TYR OH : rot 180:sc= 0 USER MOD Single : R 31 GLN : amide:sc= -1.25! K(o=-1.2!,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= -2.62! C(o=-2.6!,f=-5.3!) USER MOD Single : R 40 ASN : amide:sc= -6.52! C(o=-6.5!,f=-2.1!) USER MOD Single : R 42 MET CE :methyl 171:sc= -0.0685 (180deg=-0.322) USER MOD Single : R 44 THR OG1 : rot -160:sc= -1.32 USER MOD Single : R 53 THR OG1 : rot 105:sc= 1.23 USER MOD Single : R 98 GLN : amide:sc= -0.0259 X(o=-0.026,f=0) USER MOD Single : S 16 HIS : no HD1:sc= -0.227 K(o=-0.23,f=-0.9!) USER MOD Single : S 17 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : S 30 TYR OH : rot 180:sc= 0 USER MOD Single : S 35 HIS : no HD1:sc= -0.788 K(o=-0.79,f=-4!) USER MOD Single : S 40 ASN : amide:sc= -0.819 X(o=-0.82,f=-0.53) USER MOD Single : S 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : S 44 THR OG1 : rot -163:sc= -0.797! USER MOD Single : S 53 THR OG1 : rot 117:sc= 0.182 USER MOD Single : S 98 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 180 N HIS R 16 25.398 -1.138 30.566 1.00 0.00 N ATOM 181 CA HIS R 16 26.023 -0.396 29.432 1.00 0.00 C ATOM 182 C HIS R 16 27.206 -1.174 28.858 1.00 0.00 C ATOM 183 O HIS R 16 27.522 -1.056 27.690 1.00 0.00 O ATOM 184 CB HIS R 16 26.532 0.952 29.964 1.00 0.00 C ATOM 185 CG HIS R 16 26.144 2.071 28.993 1.00 0.00 C ATOM 186 ND1 HIS R 16 26.537 2.162 27.789 1.00 0.00 N ATOM 187 CD2 HIS R 16 25.327 3.173 29.185 1.00 0.00 C ATOM 188 CE1 HIS R 16 26.041 3.201 27.229 1.00 0.00 C ATOM 189 NE2 HIS R 16 25.265 3.892 28.050 1.00 0.00 N ATOM 0 HA HIS R 16 25.282 -0.257 28.644 1.00 0.00 H new ATOM 0 HB2 HIS R 16 26.108 1.149 30.949 1.00 0.00 H new ATOM 0 HB3 HIS R 16 27.615 0.921 30.084 1.00 0.00 H new ATOM 0 HD2 HIS R 16 24.818 3.418 30.105 1.00 0.00 H new ATOM 0 HE1 HIS R 16 26.233 3.482 26.204 1.00 0.00 H new ATOM 0 HE2 HIS R 16 24.750 4.753 27.867 1.00 0.00 H new ATOM 197 N GLN R 17 27.839 -1.953 29.694 1.00 0.00 N ATOM 198 CA GLN R 17 29.003 -2.746 29.221 1.00 0.00 C ATOM 199 C GLN R 17 28.694 -3.441 27.892 1.00 0.00 C ATOM 200 O GLN R 17 29.414 -3.289 26.930 1.00 0.00 O ATOM 201 CB GLN R 17 29.323 -3.826 30.268 1.00 0.00 C ATOM 202 CG GLN R 17 29.267 -3.220 31.678 1.00 0.00 C ATOM 203 CD GLN R 17 30.117 -1.949 31.729 1.00 0.00 C ATOM 204 OE1 GLN R 17 29.605 -0.847 31.791 1.00 0.00 O ATOM 205 NE2 GLN R 17 31.416 -2.054 31.712 1.00 0.00 N ATOM 0 H GLN R 17 27.600 -2.072 30.678 1.00 0.00 H new ATOM 0 HA GLN R 17 29.846 -2.070 29.079 1.00 0.00 H new ATOM 0 HB2 GLN R 17 28.610 -4.646 30.187 1.00 0.00 H new ATOM 0 HB3 GLN R 17 30.312 -4.244 30.081 1.00 0.00 H new ATOM 0 HG2 GLN R 17 28.235 -2.990 31.944 1.00 0.00 H new ATOM 0 HG3 GLN R 17 29.631 -3.942 32.409 1.00 0.00 H new ATOM 0 HE21 GLN R 17 31.853 -2.974 31.660 1.00 0.00 H new ATOM 0 HE22 GLN R 17 31.996 -1.216 31.751 1.00 0.00 H new ATOM 214 N GLU R 18 27.620 -4.186 27.869 1.00 0.00 N ATOM 215 CA GLU R 18 27.241 -4.904 26.617 1.00 0.00 C ATOM 216 C GLU R 18 27.259 -3.975 25.395 1.00 0.00 C ATOM 217 O GLU R 18 28.152 -4.062 24.576 1.00 0.00 O ATOM 218 CB GLU R 18 25.831 -5.486 26.813 1.00 0.00 C ATOM 219 CG GLU R 18 25.744 -6.835 26.098 1.00 0.00 C ATOM 220 CD GLU R 18 26.086 -6.654 24.618 1.00 0.00 C ATOM 221 OE1 GLU R 18 27.271 -6.569 24.341 1.00 0.00 O ATOM 222 OE2 GLU R 18 25.142 -6.615 23.847 1.00 0.00 O ATOM 0 H GLU R 18 26.991 -4.328 28.660 1.00 0.00 H new ATOM 0 HA GLU R 18 27.968 -5.694 26.427 1.00 0.00 H new ATOM 0 HB2 GLU R 18 25.619 -5.609 27.875 1.00 0.00 H new ATOM 0 HB3 GLU R 18 25.082 -4.801 26.416 1.00 0.00 H new ATOM 0 HG2 GLU R 18 26.432 -7.546 26.556 1.00 0.00 H new ATOM 0 HG3 GLU R 18 24.741 -7.249 26.202 1.00 0.00 H new ATOM 229 N TRP R 19 26.268 -3.122 25.294 1.00 0.00 N ATOM 230 CA TRP R 19 26.194 -2.171 24.136 1.00 0.00 C ATOM 231 C TRP R 19 27.579 -1.743 23.652 1.00 0.00 C ATOM 232 O TRP R 19 27.766 -1.470 22.483 1.00 0.00 O ATOM 233 CB TRP R 19 25.418 -0.930 24.588 1.00 0.00 C ATOM 234 CG TRP R 19 25.807 0.243 23.696 1.00 0.00 C ATOM 235 CD1 TRP R 19 26.546 1.295 24.088 1.00 0.00 C ATOM 236 CD2 TRP R 19 25.508 0.348 22.402 1.00 0.00 C ATOM 237 NE1 TRP R 19 26.675 2.017 22.975 1.00 0.00 N ATOM 238 CE2 TRP R 19 26.062 1.501 21.880 1.00 0.00 C ATOM 239 CE3 TRP R 19 24.775 -0.493 21.581 1.00 0.00 C ATOM 240 CZ2 TRP R 19 25.891 1.807 20.549 1.00 0.00 C ATOM 241 CZ3 TRP R 19 24.608 -0.179 20.248 1.00 0.00 C ATOM 242 CH2 TRP R 19 25.164 0.970 19.735 1.00 0.00 C ATOM 0 H TRP R 19 25.504 -3.042 25.965 1.00 0.00 H new ATOM 0 HA TRP R 19 25.698 -2.675 23.307 1.00 0.00 H new ATOM 0 HB2 TRP R 19 24.345 -1.112 24.526 1.00 0.00 H new ATOM 0 HB3 TRP R 19 25.643 -0.703 25.630 1.00 0.00 H new ATOM 0 HD1 TRP R 19 26.941 1.505 25.071 1.00 0.00 H new ATOM 0 HE1 TRP R 19 27.196 2.893 22.948 1.00 0.00 H new ATOM 0 HE3 TRP R 19 24.335 -1.393 21.984 1.00 0.00 H new ATOM 0 HZ2 TRP R 19 26.329 2.707 20.143 1.00 0.00 H new ATOM 0 HZ3 TRP R 19 24.040 -0.836 19.606 1.00 0.00 H new ATOM 0 HH2 TRP R 19 25.029 1.215 18.692 1.00 0.00 H new ATOM 253 N LEU R 20 28.523 -1.684 24.550 1.00 0.00 N ATOM 254 CA LEU R 20 29.890 -1.276 24.138 1.00 0.00 C ATOM 255 C LEU R 20 30.722 -2.499 23.749 1.00 0.00 C ATOM 256 O LEU R 20 31.483 -2.459 22.805 1.00 0.00 O ATOM 257 CB LEU R 20 30.574 -0.573 25.322 1.00 0.00 C ATOM 258 CG LEU R 20 30.296 0.936 25.267 1.00 0.00 C ATOM 259 CD1 LEU R 20 30.878 1.596 26.521 1.00 0.00 C ATOM 260 CD2 LEU R 20 30.964 1.550 24.031 1.00 0.00 C ATOM 0 H LEU R 20 28.407 -1.899 25.540 1.00 0.00 H new ATOM 0 HA LEU R 20 29.816 -0.608 23.280 1.00 0.00 H new ATOM 0 HB2 LEU R 20 30.207 -0.985 26.262 1.00 0.00 H new ATOM 0 HB3 LEU R 20 31.648 -0.755 25.292 1.00 0.00 H new ATOM 0 HG LEU R 20 29.220 1.100 25.215 1.00 0.00 H new ATOM 0 HD11 LEU R 20 30.685 2.668 26.491 1.00 0.00 H new ATOM 0 HD12 LEU R 20 30.410 1.168 27.408 1.00 0.00 H new ATOM 0 HD13 LEU R 20 31.953 1.422 26.558 1.00 0.00 H new ATOM 0 HD21 LEU R 20 30.761 2.620 24.002 1.00 0.00 H new ATOM 0 HD22 LEU R 20 32.041 1.386 24.080 1.00 0.00 H new ATOM 0 HD23 LEU R 20 30.566 1.080 23.131 1.00 0.00 H new ATOM 272 N ARG R 21 30.557 -3.566 24.489 1.00 0.00 N ATOM 273 CA ARG R 21 31.326 -4.795 24.183 1.00 0.00 C ATOM 274 C ARG R 21 30.855 -5.434 22.876 1.00 0.00 C ATOM 275 O ARG R 21 31.588 -6.168 22.249 1.00 0.00 O ATOM 276 CB ARG R 21 31.111 -5.791 25.330 1.00 0.00 C ATOM 277 CG ARG R 21 32.256 -6.803 25.330 1.00 0.00 C ATOM 278 CD ARG R 21 32.123 -7.733 26.542 1.00 0.00 C ATOM 279 NE ARG R 21 33.421 -7.764 27.274 1.00 0.00 N ATOM 280 CZ ARG R 21 33.860 -6.679 27.849 1.00 0.00 C ATOM 281 NH1 ARG R 21 33.094 -6.065 28.706 1.00 0.00 N ATOM 282 NH2 ARG R 21 35.051 -6.241 27.545 1.00 0.00 N ATOM 0 H ARG R 21 29.925 -3.633 25.287 1.00 0.00 H new ATOM 0 HA ARG R 21 32.379 -4.536 24.075 1.00 0.00 H new ATOM 0 HB2 ARG R 21 31.073 -5.265 26.284 1.00 0.00 H new ATOM 0 HB3 ARG R 21 30.156 -6.303 25.211 1.00 0.00 H new ATOM 0 HG2 ARG R 21 32.239 -7.385 24.409 1.00 0.00 H new ATOM 0 HG3 ARG R 21 33.214 -6.283 25.361 1.00 0.00 H new ATOM 0 HD2 ARG R 21 31.328 -7.383 27.200 1.00 0.00 H new ATOM 0 HD3 ARG R 21 31.849 -8.737 26.218 1.00 0.00 H new ATOM 0 HE ARG R 21 33.962 -8.627 27.325 1.00 0.00 H new ATOM 0 HH11 ARG R 21 32.167 -6.434 28.918 1.00 0.00 H new ATOM 0 HH12 ARG R 21 33.421 -5.215 29.165 1.00 0.00 H new ATOM 0 HH21 ARG R 21 35.622 -6.746 26.867 1.00 0.00 H new ATOM 0 HH22 ARG R 21 35.411 -5.394 27.985 1.00 0.00 H new ATOM 296 N PHE R 22 29.639 -5.147 22.493 1.00 0.00 N ATOM 297 CA PHE R 22 29.114 -5.733 21.230 1.00 0.00 C ATOM 298 C PHE R 22 29.607 -4.932 20.029 1.00 0.00 C ATOM 299 O PHE R 22 30.337 -5.432 19.187 1.00 0.00 O ATOM 300 CB PHE R 22 27.583 -5.666 21.266 1.00 0.00 C ATOM 301 CG PHE R 22 27.049 -5.569 19.835 1.00 0.00 C ATOM 302 CD1 PHE R 22 27.479 -6.460 18.868 1.00 0.00 C ATOM 303 CD2 PHE R 22 26.135 -4.591 19.488 1.00 0.00 C ATOM 304 CE1 PHE R 22 26.998 -6.377 17.577 1.00 0.00 C ATOM 305 CE2 PHE R 22 25.655 -4.509 18.198 1.00 0.00 C ATOM 306 CZ PHE R 22 26.088 -5.401 17.242 1.00 0.00 C ATOM 0 H PHE R 22 28.994 -4.538 22.996 1.00 0.00 H new ATOM 0 HA PHE R 22 29.459 -6.763 21.139 1.00 0.00 H new ATOM 0 HB2 PHE R 22 27.180 -6.551 21.758 1.00 0.00 H new ATOM 0 HB3 PHE R 22 27.259 -4.803 21.847 1.00 0.00 H new ATOM 0 HD1 PHE R 22 28.196 -7.226 19.125 1.00 0.00 H new ATOM 0 HD2 PHE R 22 25.795 -3.887 20.233 1.00 0.00 H new ATOM 0 HE1 PHE R 22 27.336 -7.079 16.829 1.00 0.00 H new ATOM 0 HE2 PHE R 22 24.939 -3.744 17.937 1.00 0.00 H new ATOM 0 HZ PHE R 22 25.714 -5.334 16.231 1.00 0.00 H new ATOM 316 N VAL R 23 29.183 -3.707 19.956 1.00 0.00 N ATOM 317 CA VAL R 23 29.624 -2.875 18.819 1.00 0.00 C ATOM 318 C VAL R 23 31.136 -2.987 18.676 1.00 0.00 C ATOM 319 O VAL R 23 31.670 -2.885 17.590 1.00 0.00 O ATOM 320 CB VAL R 23 29.233 -1.417 19.090 1.00 0.00 C ATOM 321 CG1 VAL R 23 27.708 -1.330 19.189 1.00 0.00 C ATOM 322 CG2 VAL R 23 29.854 -0.952 20.411 1.00 0.00 C ATOM 0 H VAL R 23 28.560 -3.254 20.625 1.00 0.00 H new ATOM 0 HA VAL R 23 29.150 -3.214 17.898 1.00 0.00 H new ATOM 0 HB VAL R 23 29.595 -0.781 18.282 1.00 0.00 H new ATOM 0 HG11 VAL R 23 27.414 -0.298 19.382 1.00 0.00 H new ATOM 0 HG12 VAL R 23 27.263 -1.665 18.252 1.00 0.00 H new ATOM 0 HG13 VAL R 23 27.359 -1.965 20.004 1.00 0.00 H new ATOM 0 HG21 VAL R 23 29.574 0.084 20.600 1.00 0.00 H new ATOM 0 HG22 VAL R 23 29.491 -1.580 21.225 1.00 0.00 H new ATOM 0 HG23 VAL R 23 30.940 -1.029 20.350 1.00 0.00 H new ATOM 332 N ASP R 24 31.803 -3.202 19.783 1.00 0.00 N ATOM 333 CA ASP R 24 33.279 -3.328 19.719 1.00 0.00 C ATOM 334 C ASP R 24 33.639 -4.416 18.717 1.00 0.00 C ATOM 335 O ASP R 24 34.598 -4.305 17.980 1.00 0.00 O ATOM 336 CB ASP R 24 33.801 -3.734 21.105 1.00 0.00 C ATOM 337 CG ASP R 24 35.130 -4.477 20.947 1.00 0.00 C ATOM 338 OD1 ASP R 24 36.059 -3.831 20.493 1.00 0.00 O ATOM 339 OD2 ASP R 24 35.139 -5.646 21.294 1.00 0.00 O ATOM 0 H ASP R 24 31.391 -3.294 20.712 1.00 0.00 H new ATOM 0 HA ASP R 24 33.723 -2.380 19.414 1.00 0.00 H new ATOM 0 HB2 ASP R 24 33.937 -2.850 21.728 1.00 0.00 H new ATOM 0 HB3 ASP R 24 33.073 -4.370 21.609 1.00 0.00 H new ATOM 344 N LEU R 25 32.851 -5.459 18.721 1.00 0.00 N ATOM 345 CA LEU R 25 33.104 -6.577 17.783 1.00 0.00 C ATOM 346 C LEU R 25 32.842 -6.104 16.362 1.00 0.00 C ATOM 347 O LEU R 25 33.497 -6.520 15.431 1.00 0.00 O ATOM 348 CB LEU R 25 32.139 -7.727 18.115 1.00 0.00 C ATOM 349 CG LEU R 25 32.210 -8.020 19.617 1.00 0.00 C ATOM 350 CD1 LEU R 25 31.230 -9.142 19.969 1.00 0.00 C ATOM 351 CD2 LEU R 25 33.630 -8.459 19.986 1.00 0.00 C ATOM 0 H LEU R 25 32.045 -5.579 19.335 1.00 0.00 H new ATOM 0 HA LEU R 25 34.136 -6.915 17.874 1.00 0.00 H new ATOM 0 HB2 LEU R 25 31.121 -7.458 17.832 1.00 0.00 H new ATOM 0 HB3 LEU R 25 32.404 -8.617 17.545 1.00 0.00 H new ATOM 0 HG LEU R 25 31.948 -7.119 20.171 1.00 0.00 H new ATOM 0 HD11 LEU R 25 31.282 -9.349 21.038 1.00 0.00 H new ATOM 0 HD12 LEU R 25 30.217 -8.836 19.708 1.00 0.00 H new ATOM 0 HD13 LEU R 25 31.492 -10.042 19.412 1.00 0.00 H new ATOM 0 HD21 LEU R 25 33.680 -8.667 21.055 1.00 0.00 H new ATOM 0 HD22 LEU R 25 33.889 -9.359 19.428 1.00 0.00 H new ATOM 0 HD23 LEU R 25 34.333 -7.664 19.738 1.00 0.00 H new ATOM 363 N LEU R 26 31.870 -5.244 16.221 1.00 0.00 N ATOM 364 CA LEU R 26 31.559 -4.736 14.859 1.00 0.00 C ATOM 365 C LEU R 26 32.833 -4.192 14.212 1.00 0.00 C ATOM 366 O LEU R 26 33.108 -4.456 13.058 1.00 0.00 O ATOM 367 CB LEU R 26 30.538 -3.599 14.981 1.00 0.00 C ATOM 368 CG LEU R 26 29.930 -3.314 13.603 1.00 0.00 C ATOM 369 CD1 LEU R 26 28.902 -4.393 13.240 1.00 0.00 C ATOM 370 CD2 LEU R 26 29.232 -1.952 13.640 1.00 0.00 C ATOM 0 H LEU R 26 31.289 -4.878 16.975 1.00 0.00 H new ATOM 0 HA LEU R 26 31.157 -5.543 14.247 1.00 0.00 H new ATOM 0 HB2 LEU R 26 29.754 -3.873 15.687 1.00 0.00 H new ATOM 0 HB3 LEU R 26 31.020 -2.702 15.371 1.00 0.00 H new ATOM 0 HG LEU R 26 30.724 -3.314 12.856 1.00 0.00 H new ATOM 0 HD11 LEU R 26 28.479 -4.177 12.259 1.00 0.00 H new ATOM 0 HD12 LEU R 26 29.390 -5.368 13.218 1.00 0.00 H new ATOM 0 HD13 LEU R 26 28.106 -4.402 13.984 1.00 0.00 H new ATOM 0 HD21 LEU R 26 28.796 -1.740 12.664 1.00 0.00 H new ATOM 0 HD22 LEU R 26 28.445 -1.967 14.394 1.00 0.00 H new ATOM 0 HD23 LEU R 26 29.958 -1.178 13.889 1.00 0.00 H new ATOM 382 N LYS R 27 33.585 -3.443 14.975 1.00 0.00 N ATOM 383 CA LYS R 27 34.843 -2.875 14.426 1.00 0.00 C ATOM 384 C LYS R 27 35.748 -3.986 13.916 1.00 0.00 C ATOM 385 O LYS R 27 36.184 -3.970 12.780 1.00 0.00 O ATOM 386 CB LYS R 27 35.586 -2.147 15.555 1.00 0.00 C ATOM 387 CG LYS R 27 34.613 -1.237 16.314 1.00 0.00 C ATOM 388 CD LYS R 27 35.365 -0.019 16.868 1.00 0.00 C ATOM 389 CE LYS R 27 36.385 -0.475 17.918 1.00 0.00 C ATOM 390 NZ LYS R 27 35.696 -1.099 19.080 1.00 0.00 N ATOM 0 H LYS R 27 33.382 -3.204 15.946 1.00 0.00 H new ATOM 0 HA LYS R 27 34.597 -2.197 13.609 1.00 0.00 H new ATOM 0 HB2 LYS R 27 36.029 -2.872 16.238 1.00 0.00 H new ATOM 0 HB3 LYS R 27 36.404 -1.557 15.143 1.00 0.00 H new ATOM 0 HG2 LYS R 27 33.813 -0.911 15.650 1.00 0.00 H new ATOM 0 HG3 LYS R 27 34.145 -1.789 17.129 1.00 0.00 H new ATOM 0 HD2 LYS R 27 35.872 0.506 16.059 1.00 0.00 H new ATOM 0 HD3 LYS R 27 34.661 0.684 17.313 1.00 0.00 H new ATOM 0 HE2 LYS R 27 37.079 -1.189 17.473 1.00 0.00 H new ATOM 0 HE3 LYS R 27 36.976 0.377 18.253 1.00 0.00 H new ATOM 0 HZ1 LYS R 27 36.231 -0.899 19.949 1.00 0.00 H new ATOM 0 HZ2 LYS R 27 34.737 -0.707 19.166 1.00 0.00 H new ATOM 0 HZ3 LYS R 27 35.638 -2.128 18.938 1.00 0.00 H new ATOM 404 N ASN R 28 36.012 -4.932 14.774 1.00 0.00 N ATOM 405 CA ASN R 28 36.886 -6.062 14.378 1.00 0.00 C ATOM 406 C ASN R 28 36.538 -6.557 12.975 1.00 0.00 C ATOM 407 O ASN R 28 37.402 -6.649 12.125 1.00 0.00 O ATOM 408 CB ASN R 28 36.700 -7.190 15.399 1.00 0.00 C ATOM 409 CG ASN R 28 37.317 -6.755 16.732 1.00 0.00 C ATOM 410 OD1 ASN R 28 38.328 -7.275 17.160 1.00 0.00 O ATOM 411 ND2 ASN R 28 36.744 -5.801 17.414 1.00 0.00 N ATOM 0 H ASN R 28 35.659 -4.968 15.730 1.00 0.00 H new ATOM 0 HA ASN R 28 37.925 -5.733 14.361 1.00 0.00 H new ATOM 0 HB2 ASN R 28 35.641 -7.412 15.528 1.00 0.00 H new ATOM 0 HB3 ASN R 28 37.176 -8.104 15.043 1.00 0.00 H new ATOM 0 HD21 ASN R 28 37.145 -5.496 18.301 1.00 0.00 H new ATOM 0 HD22 ASN R 28 35.895 -5.360 17.060 1.00 0.00 H new ATOM 418 N ALA R 29 35.288 -6.866 12.746 1.00 0.00 N ATOM 419 CA ALA R 29 34.913 -7.346 11.390 1.00 0.00 C ATOM 420 C ALA R 29 35.345 -6.332 10.339 1.00 0.00 C ATOM 421 O ALA R 29 36.034 -6.671 9.403 1.00 0.00 O ATOM 422 CB ALA R 29 33.388 -7.508 11.322 1.00 0.00 C ATOM 0 H ALA R 29 34.528 -6.808 13.424 1.00 0.00 H new ATOM 0 HA ALA R 29 35.407 -8.299 11.198 1.00 0.00 H new ATOM 0 HB1 ALA R 29 33.103 -7.860 10.330 1.00 0.00 H new ATOM 0 HB2 ALA R 29 33.065 -8.232 12.070 1.00 0.00 H new ATOM 0 HB3 ALA R 29 32.911 -6.547 11.517 1.00 0.00 H new ATOM 428 N TYR R 30 34.937 -5.104 10.497 1.00 0.00 N ATOM 429 CA TYR R 30 35.347 -4.100 9.487 1.00 0.00 C ATOM 430 C TYR R 30 36.834 -4.231 9.225 1.00 0.00 C ATOM 431 O TYR R 30 37.201 -4.837 8.217 1.00 0.00 O ATOM 432 CB TYR R 30 35.057 -2.679 10.010 1.00 0.00 C ATOM 433 CG TYR R 30 33.627 -2.279 9.635 1.00 0.00 C ATOM 434 CD1 TYR R 30 33.330 -1.891 8.347 1.00 0.00 C ATOM 435 CD2 TYR R 30 32.619 -2.295 10.579 1.00 0.00 C ATOM 436 CE1 TYR R 30 32.047 -1.522 8.004 1.00 0.00 C ATOM 437 CE2 TYR R 30 31.334 -1.925 10.235 1.00 0.00 C ATOM 438 CZ TYR R 30 31.037 -1.536 8.944 1.00 0.00 C ATOM 439 OH TYR R 30 29.751 -1.179 8.596 1.00 0.00 O ATOM 0 H TYR R 30 34.354 -4.762 11.261 1.00 0.00 H new ATOM 0 HA TYR R 30 34.787 -4.271 8.568 1.00 0.00 H new ATOM 0 HB2 TYR R 30 35.184 -2.645 11.092 1.00 0.00 H new ATOM 0 HB3 TYR R 30 35.768 -1.971 9.584 1.00 0.00 H new ATOM 0 HD1 TYR R 30 34.109 -1.876 7.599 1.00 0.00 H new ATOM 0 HD2 TYR R 30 32.837 -2.599 11.592 1.00 0.00 H new ATOM 0 HE1 TYR R 30 31.830 -1.219 6.990 1.00 0.00 H new ATOM 0 HE2 TYR R 30 30.554 -1.940 10.982 1.00 0.00 H new ATOM 0 HH TYR R 30 29.169 -1.247 9.381 1.00 0.00 H new ATOM 449 N GLN R 31 37.605 -3.833 10.243 1.00 0.00 N ATOM 450 CA GLN R 31 39.101 -3.864 10.204 1.00 0.00 C ATOM 451 C GLN R 31 39.582 -4.120 8.803 1.00 0.00 C ATOM 452 O GLN R 31 40.122 -3.244 8.155 1.00 0.00 O ATOM 453 CB GLN R 31 39.570 -5.003 11.122 1.00 0.00 C ATOM 454 CG GLN R 31 41.082 -4.906 11.321 1.00 0.00 C ATOM 455 CD GLN R 31 41.549 -6.079 12.187 1.00 0.00 C ATOM 456 OE1 GLN R 31 42.729 -6.303 12.365 1.00 0.00 O ATOM 457 NE2 GLN R 31 40.655 -6.851 12.744 1.00 0.00 N ATOM 0 H GLN R 31 37.227 -3.479 11.122 1.00 0.00 H new ATOM 0 HA GLN R 31 39.503 -2.907 10.535 1.00 0.00 H new ATOM 0 HB2 GLN R 31 39.061 -4.942 12.084 1.00 0.00 H new ATOM 0 HB3 GLN R 31 39.311 -5.967 10.685 1.00 0.00 H new ATOM 0 HG2 GLN R 31 41.590 -4.925 10.357 1.00 0.00 H new ATOM 0 HG3 GLN R 31 41.339 -3.960 11.798 1.00 0.00 H new ATOM 0 HE21 GLN R 31 39.662 -6.669 12.599 1.00 0.00 H new ATOM 0 HE22 GLN R 31 40.950 -7.636 13.324 1.00 0.00 H new ATOM 466 N ASN R 32 39.366 -5.298 8.361 1.00 0.00 N ATOM 467 CA ASN R 32 39.795 -5.635 6.994 1.00 0.00 C ATOM 468 C ASN R 32 38.573 -5.414 6.090 1.00 0.00 C ATOM 469 O ASN R 32 38.308 -4.310 5.656 1.00 0.00 O ATOM 470 CB ASN R 32 40.264 -7.108 7.009 1.00 0.00 C ATOM 471 CG ASN R 32 41.427 -7.276 6.032 1.00 0.00 C ATOM 472 OD1 ASN R 32 41.266 -7.770 4.935 1.00 0.00 O ATOM 473 ND2 ASN R 32 42.614 -6.877 6.393 1.00 0.00 N ATOM 0 H ASN R 32 38.911 -6.049 8.880 1.00 0.00 H new ATOM 0 HA ASN R 32 40.620 -5.025 6.626 1.00 0.00 H new ATOM 0 HB2 ASN R 32 40.574 -7.393 8.014 1.00 0.00 H new ATOM 0 HB3 ASN R 32 39.441 -7.767 6.730 1.00 0.00 H new ATOM 0 HD21 ASN R 32 43.403 -6.980 5.755 1.00 0.00 H new ATOM 0 HD22 ASN R 32 42.754 -6.461 7.314 1.00 0.00 H new ATOM 480 N ASP R 33 37.867 -6.456 5.830 1.00 0.00 N ATOM 481 CA ASP R 33 36.664 -6.383 4.985 1.00 0.00 C ATOM 482 C ASP R 33 35.784 -7.497 5.473 1.00 0.00 C ATOM 483 O ASP R 33 34.919 -7.985 4.773 1.00 0.00 O ATOM 484 CB ASP R 33 37.035 -6.631 3.527 1.00 0.00 C ATOM 485 CG ASP R 33 37.301 -5.292 2.835 1.00 0.00 C ATOM 486 OD1 ASP R 33 38.188 -4.603 3.313 1.00 0.00 O ATOM 487 OD2 ASP R 33 36.598 -5.033 1.871 1.00 0.00 O ATOM 0 H ASP R 33 38.080 -7.390 6.180 1.00 0.00 H new ATOM 0 HA ASP R 33 36.179 -5.408 5.043 1.00 0.00 H new ATOM 0 HB2 ASP R 33 37.920 -7.265 3.468 1.00 0.00 H new ATOM 0 HB3 ASP R 33 36.229 -7.161 3.020 1.00 0.00 H new ATOM 492 N LEU R 34 36.033 -7.887 6.691 1.00 0.00 N ATOM 493 CA LEU R 34 35.239 -8.987 7.256 1.00 0.00 C ATOM 494 C LEU R 34 33.880 -8.565 7.777 1.00 0.00 C ATOM 495 O LEU R 34 33.252 -9.299 8.516 1.00 0.00 O ATOM 496 CB LEU R 34 36.074 -9.627 8.356 1.00 0.00 C ATOM 497 CG LEU R 34 37.363 -10.191 7.726 1.00 0.00 C ATOM 498 CD1 LEU R 34 38.514 -10.113 8.739 1.00 0.00 C ATOM 499 CD2 LEU R 34 37.136 -11.647 7.291 1.00 0.00 C ATOM 0 H LEU R 34 36.745 -7.492 7.305 1.00 0.00 H new ATOM 0 HA LEU R 34 35.015 -9.696 6.459 1.00 0.00 H new ATOM 0 HB2 LEU R 34 36.318 -8.892 9.123 1.00 0.00 H new ATOM 0 HB3 LEU R 34 35.511 -10.423 8.844 1.00 0.00 H new ATOM 0 HG LEU R 34 37.624 -9.598 6.849 1.00 0.00 H new ATOM 0 HD11 LEU R 34 39.423 -10.513 8.289 1.00 0.00 H new ATOM 0 HD12 LEU R 34 38.677 -9.074 9.025 1.00 0.00 H new ATOM 0 HD13 LEU R 34 38.260 -10.697 9.624 1.00 0.00 H new ATOM 0 HD21 LEU R 34 38.050 -12.041 6.846 1.00 0.00 H new ATOM 0 HD22 LEU R 34 36.867 -12.248 8.159 1.00 0.00 H new ATOM 0 HD23 LEU R 34 36.330 -11.686 6.558 1.00 0.00 H new ATOM 511 N HIS R 35 33.444 -7.402 7.393 1.00 0.00 N ATOM 512 CA HIS R 35 32.113 -6.951 7.875 1.00 0.00 C ATOM 513 C HIS R 35 31.063 -7.270 6.825 1.00 0.00 C ATOM 514 O HIS R 35 29.897 -7.342 7.121 1.00 0.00 O ATOM 515 CB HIS R 35 32.125 -5.439 8.112 1.00 0.00 C ATOM 516 CG HIS R 35 32.516 -4.712 6.821 1.00 0.00 C ATOM 517 ND1 HIS R 35 33.604 -4.871 6.183 1.00 0.00 N ATOM 518 CD2 HIS R 35 31.813 -3.769 6.094 1.00 0.00 C ATOM 519 CE1 HIS R 35 33.627 -4.126 5.140 1.00 0.00 C ATOM 520 NE2 HIS R 35 32.529 -3.398 5.021 1.00 0.00 N ATOM 0 H HIS R 35 33.939 -6.755 6.779 1.00 0.00 H new ATOM 0 HA HIS R 35 31.883 -7.465 8.808 1.00 0.00 H new ATOM 0 HB2 HIS R 35 31.141 -5.106 8.443 1.00 0.00 H new ATOM 0 HB3 HIS R 35 32.829 -5.192 8.906 1.00 0.00 H new ATOM 0 HD2 HIS R 35 30.835 -3.388 6.351 1.00 0.00 H new ATOM 0 HE1 HIS R 35 34.448 -4.096 4.439 1.00 0.00 H new ATOM 0 HE2 HIS R 35 32.287 -2.723 4.295 1.00 0.00 H new ATOM 528 N LEU R 36 31.514 -7.517 5.623 1.00 0.00 N ATOM 529 CA LEU R 36 30.559 -7.837 4.527 1.00 0.00 C ATOM 530 C LEU R 36 29.520 -8.888 4.939 1.00 0.00 C ATOM 531 O LEU R 36 28.343 -8.696 4.708 1.00 0.00 O ATOM 532 CB LEU R 36 31.344 -8.363 3.307 1.00 0.00 C ATOM 533 CG LEU R 36 31.089 -7.500 2.051 1.00 0.00 C ATOM 534 CD1 LEU R 36 29.640 -7.677 1.571 1.00 0.00 C ATOM 535 CD2 LEU R 36 31.351 -6.017 2.345 1.00 0.00 C ATOM 0 H LEU R 36 32.498 -7.511 5.356 1.00 0.00 H new ATOM 0 HA LEU R 36 30.024 -6.919 4.284 1.00 0.00 H new ATOM 0 HB2 LEU R 36 32.410 -8.369 3.535 1.00 0.00 H new ATOM 0 HB3 LEU R 36 31.055 -9.395 3.105 1.00 0.00 H new ATOM 0 HG LEU R 36 31.774 -7.830 1.270 1.00 0.00 H new ATOM 0 HD11 LEU R 36 29.473 -7.064 0.685 1.00 0.00 H new ATOM 0 HD12 LEU R 36 29.463 -8.724 1.326 1.00 0.00 H new ATOM 0 HD13 LEU R 36 28.955 -7.369 2.361 1.00 0.00 H new ATOM 0 HD21 LEU R 36 31.165 -5.429 1.446 1.00 0.00 H new ATOM 0 HD22 LEU R 36 30.687 -5.681 3.142 1.00 0.00 H new ATOM 0 HD23 LEU R 36 32.387 -5.885 2.656 1.00 0.00 H new ATOM 547 N PRO R 37 29.939 -9.995 5.523 1.00 0.00 N ATOM 548 CA PRO R 37 28.965 -11.014 5.924 1.00 0.00 C ATOM 549 C PRO R 37 27.982 -10.463 6.957 1.00 0.00 C ATOM 550 O PRO R 37 26.819 -10.287 6.671 1.00 0.00 O ATOM 551 CB PRO R 37 29.794 -12.142 6.537 1.00 0.00 C ATOM 552 CG PRO R 37 31.288 -11.740 6.443 1.00 0.00 C ATOM 553 CD PRO R 37 31.355 -10.337 5.821 1.00 0.00 C ATOM 0 HA PRO R 37 28.369 -11.350 5.075 1.00 0.00 H new ATOM 0 HB2 PRO R 37 29.507 -12.305 7.576 1.00 0.00 H new ATOM 0 HB3 PRO R 37 29.616 -13.078 6.007 1.00 0.00 H new ATOM 0 HG2 PRO R 37 31.748 -11.743 7.431 1.00 0.00 H new ATOM 0 HG3 PRO R 37 31.839 -12.456 5.833 1.00 0.00 H new ATOM 0 HD2 PRO R 37 31.801 -9.619 6.509 1.00 0.00 H new ATOM 0 HD3 PRO R 37 31.963 -10.332 4.917 1.00 0.00 H new ATOM 561 N LEU R 38 28.456 -10.204 8.142 1.00 0.00 N ATOM 562 CA LEU R 38 27.529 -9.668 9.167 1.00 0.00 C ATOM 563 C LEU R 38 26.824 -8.439 8.616 1.00 0.00 C ATOM 564 O LEU R 38 25.706 -8.142 8.988 1.00 0.00 O ATOM 565 CB LEU R 38 28.337 -9.277 10.415 1.00 0.00 C ATOM 566 CG LEU R 38 28.045 -10.262 11.553 1.00 0.00 C ATOM 567 CD1 LEU R 38 29.261 -10.339 12.470 1.00 0.00 C ATOM 568 CD2 LEU R 38 26.837 -9.763 12.351 1.00 0.00 C ATOM 0 H LEU R 38 29.423 -10.337 8.439 1.00 0.00 H new ATOM 0 HA LEU R 38 26.788 -10.424 9.428 1.00 0.00 H new ATOM 0 HB2 LEU R 38 29.402 -9.279 10.185 1.00 0.00 H new ATOM 0 HB3 LEU R 38 28.079 -8.264 10.724 1.00 0.00 H new ATOM 0 HG LEU R 38 27.831 -11.249 11.144 1.00 0.00 H new ATOM 0 HD11 LEU R 38 29.061 -11.038 13.282 1.00 0.00 H new ATOM 0 HD12 LEU R 38 30.125 -10.682 11.901 1.00 0.00 H new ATOM 0 HD13 LEU R 38 29.468 -9.352 12.884 1.00 0.00 H new ATOM 0 HD21 LEU R 38 26.624 -10.459 13.162 1.00 0.00 H new ATOM 0 HD22 LEU R 38 27.056 -8.779 12.766 1.00 0.00 H new ATOM 0 HD23 LEU R 38 25.970 -9.695 11.694 1.00 0.00 H new ATOM 580 N LEU R 39 27.488 -7.740 7.740 1.00 0.00 N ATOM 581 CA LEU R 39 26.826 -6.528 7.174 1.00 0.00 C ATOM 582 C LEU R 39 25.538 -6.964 6.482 1.00 0.00 C ATOM 583 O LEU R 39 24.557 -6.248 6.489 1.00 0.00 O ATOM 584 CB LEU R 39 27.753 -5.828 6.149 1.00 0.00 C ATOM 585 CG LEU R 39 27.085 -4.559 5.599 1.00 0.00 C ATOM 586 CD1 LEU R 39 27.213 -3.414 6.607 1.00 0.00 C ATOM 587 CD2 LEU R 39 27.786 -4.149 4.300 1.00 0.00 C ATOM 0 H LEU R 39 28.428 -7.943 7.399 1.00 0.00 H new ATOM 0 HA LEU R 39 26.610 -5.823 7.977 1.00 0.00 H new ATOM 0 HB2 LEU R 39 28.701 -5.571 6.623 1.00 0.00 H new ATOM 0 HB3 LEU R 39 27.981 -6.510 5.330 1.00 0.00 H new ATOM 0 HG LEU R 39 26.030 -4.764 5.417 1.00 0.00 H new ATOM 0 HD11 LEU R 39 26.736 -2.520 6.205 1.00 0.00 H new ATOM 0 HD12 LEU R 39 26.728 -3.696 7.541 1.00 0.00 H new ATOM 0 HD13 LEU R 39 28.267 -3.209 6.793 1.00 0.00 H new ATOM 0 HD21 LEU R 39 27.318 -3.248 3.902 1.00 0.00 H new ATOM 0 HD22 LEU R 39 28.839 -3.952 4.501 1.00 0.00 H new ATOM 0 HD23 LEU R 39 27.701 -4.954 3.571 1.00 0.00 H new ATOM 599 N ASN R 40 25.559 -8.135 5.896 1.00 0.00 N ATOM 600 CA ASN R 40 24.333 -8.609 5.210 1.00 0.00 C ATOM 601 C ASN R 40 23.246 -8.908 6.240 1.00 0.00 C ATOM 602 O ASN R 40 22.074 -8.781 5.955 1.00 0.00 O ATOM 603 CB ASN R 40 24.645 -9.882 4.408 1.00 0.00 C ATOM 604 CG ASN R 40 23.481 -10.865 4.543 1.00 0.00 C ATOM 605 OD1 ASN R 40 22.648 -10.982 3.667 1.00 0.00 O ATOM 606 ND2 ASN R 40 23.386 -11.591 5.623 1.00 0.00 N ATOM 0 H ASN R 40 26.358 -8.768 5.866 1.00 0.00 H new ATOM 0 HA ASN R 40 23.982 -7.832 4.531 1.00 0.00 H new ATOM 0 HB2 ASN R 40 24.806 -9.634 3.359 1.00 0.00 H new ATOM 0 HB3 ASN R 40 25.565 -10.338 4.773 1.00 0.00 H new ATOM 0 HD21 ASN R 40 22.616 -12.251 5.727 1.00 0.00 H new ATOM 0 HD22 ASN R 40 24.082 -11.498 6.363 1.00 0.00 H new ATOM 613 N LEU R 41 23.643 -9.308 7.423 1.00 0.00 N ATOM 614 CA LEU R 41 22.612 -9.605 8.453 1.00 0.00 C ATOM 615 C LEU R 41 21.929 -8.292 8.823 1.00 0.00 C ATOM 616 O LEU R 41 20.986 -8.261 9.588 1.00 0.00 O ATOM 617 CB LEU R 41 23.286 -10.176 9.730 1.00 0.00 C ATOM 618 CG LEU R 41 23.349 -11.718 9.727 1.00 0.00 C ATOM 619 CD1 LEU R 41 21.938 -12.319 9.560 1.00 0.00 C ATOM 620 CD2 LEU R 41 24.301 -12.198 8.615 1.00 0.00 C ATOM 0 H LEU R 41 24.613 -9.438 7.712 1.00 0.00 H new ATOM 0 HA LEU R 41 21.899 -10.331 8.062 1.00 0.00 H new ATOM 0 HB2 LEU R 41 24.296 -9.775 9.814 1.00 0.00 H new ATOM 0 HB3 LEU R 41 22.735 -9.840 10.609 1.00 0.00 H new ATOM 0 HG LEU R 41 23.739 -12.063 10.685 1.00 0.00 H new ATOM 0 HD11 LEU R 41 22.004 -13.407 9.560 1.00 0.00 H new ATOM 0 HD12 LEU R 41 21.304 -11.993 10.385 1.00 0.00 H new ATOM 0 HD13 LEU R 41 21.508 -11.982 8.617 1.00 0.00 H new ATOM 0 HD21 LEU R 41 24.342 -13.287 8.617 1.00 0.00 H new ATOM 0 HD22 LEU R 41 23.936 -11.850 7.649 1.00 0.00 H new ATOM 0 HD23 LEU R 41 25.299 -11.797 8.792 1.00 0.00 H new ATOM 632 N MET R 42 22.442 -7.231 8.254 1.00 0.00 N ATOM 633 CA MET R 42 21.876 -5.882 8.525 1.00 0.00 C ATOM 634 C MET R 42 21.053 -5.373 7.337 1.00 0.00 C ATOM 635 O MET R 42 20.767 -4.195 7.242 1.00 0.00 O ATOM 636 CB MET R 42 23.060 -4.923 8.739 1.00 0.00 C ATOM 637 CG MET R 42 22.773 -4.001 9.922 1.00 0.00 C ATOM 638 SD MET R 42 23.781 -2.503 10.072 1.00 0.00 S ATOM 639 CE MET R 42 24.016 -2.558 11.868 1.00 0.00 C ATOM 0 H MET R 42 23.233 -7.245 7.610 1.00 0.00 H new ATOM 0 HA MET R 42 21.223 -5.934 9.397 1.00 0.00 H new ATOM 0 HB2 MET R 42 23.972 -5.492 8.922 1.00 0.00 H new ATOM 0 HB3 MET R 42 23.229 -4.332 7.839 1.00 0.00 H new ATOM 0 HG2 MET R 42 21.727 -3.700 9.869 1.00 0.00 H new ATOM 0 HG3 MET R 42 22.892 -4.580 10.838 1.00 0.00 H new ATOM 0 HE1 MET R 42 24.749 -1.807 12.162 1.00 0.00 H new ATOM 0 HE2 MET R 42 23.068 -2.355 12.365 1.00 0.00 H new ATOM 0 HE3 MET R 42 24.373 -3.546 12.158 1.00 0.00 H new ATOM 649 N LEU R 43 20.688 -6.262 6.453 1.00 0.00 N ATOM 650 CA LEU R 43 19.888 -5.838 5.275 1.00 0.00 C ATOM 651 C LEU R 43 18.394 -5.789 5.595 1.00 0.00 C ATOM 652 O LEU R 43 17.574 -5.684 4.703 1.00 0.00 O ATOM 653 CB LEU R 43 20.108 -6.864 4.155 1.00 0.00 C ATOM 654 CG LEU R 43 21.116 -6.313 3.146 1.00 0.00 C ATOM 655 CD1 LEU R 43 21.696 -7.472 2.333 1.00 0.00 C ATOM 656 CD2 LEU R 43 20.410 -5.343 2.195 1.00 0.00 C ATOM 0 H LEU R 43 20.909 -7.257 6.497 1.00 0.00 H new ATOM 0 HA LEU R 43 20.208 -4.839 4.980 1.00 0.00 H new ATOM 0 HB2 LEU R 43 20.473 -7.802 4.574 1.00 0.00 H new ATOM 0 HB3 LEU R 43 19.163 -7.083 3.658 1.00 0.00 H new ATOM 0 HG LEU R 43 21.913 -5.792 3.676 1.00 0.00 H new ATOM 0 HD11 LEU R 43 22.416 -7.086 1.611 1.00 0.00 H new ATOM 0 HD12 LEU R 43 22.194 -8.173 3.003 1.00 0.00 H new ATOM 0 HD13 LEU R 43 20.892 -7.984 1.805 1.00 0.00 H new ATOM 0 HD21 LEU R 43 21.129 -4.950 1.476 1.00 0.00 H new ATOM 0 HD22 LEU R 43 19.615 -5.867 1.664 1.00 0.00 H new ATOM 0 HD23 LEU R 43 19.982 -4.519 2.767 1.00 0.00 H new ATOM 668 N THR R 44 18.058 -5.868 6.855 1.00 0.00 N ATOM 669 CA THR R 44 16.615 -5.826 7.223 1.00 0.00 C ATOM 670 C THR R 44 15.912 -4.696 6.455 1.00 0.00 C ATOM 671 O THR R 44 16.542 -3.724 6.099 1.00 0.00 O ATOM 672 CB THR R 44 16.509 -5.533 8.724 1.00 0.00 C ATOM 673 OG1 THR R 44 17.369 -4.433 8.955 1.00 0.00 O ATOM 674 CG2 THR R 44 17.114 -6.673 9.549 1.00 0.00 C ATOM 0 H THR R 44 18.710 -5.958 7.634 1.00 0.00 H new ATOM 0 HA THR R 44 16.146 -6.779 6.977 1.00 0.00 H new ATOM 0 HB THR R 44 15.464 -5.379 8.994 1.00 0.00 H new ATOM 0 HG1 THR R 44 17.598 -4.391 9.907 1.00 0.00 H new ATOM 0 HG21 THR R 44 17.026 -6.440 10.610 1.00 0.00 H new ATOM 0 HG22 THR R 44 16.581 -7.599 9.335 1.00 0.00 H new ATOM 0 HG23 THR R 44 18.166 -6.791 9.289 1.00 0.00 H new ATOM 682 N PRO R 45 14.624 -4.835 6.194 1.00 0.00 N ATOM 683 CA PRO R 45 13.884 -3.790 5.466 1.00 0.00 C ATOM 684 C PRO R 45 13.973 -2.445 6.189 1.00 0.00 C ATOM 685 O PRO R 45 14.409 -1.459 5.627 1.00 0.00 O ATOM 686 CB PRO R 45 12.423 -4.275 5.460 1.00 0.00 C ATOM 687 CG PRO R 45 12.376 -5.646 6.177 1.00 0.00 C ATOM 688 CD PRO R 45 13.814 -6.017 6.564 1.00 0.00 C ATOM 0 HA PRO R 45 14.288 -3.639 4.465 1.00 0.00 H new ATOM 0 HB2 PRO R 45 11.780 -3.556 5.968 1.00 0.00 H new ATOM 0 HB3 PRO R 45 12.055 -4.366 4.438 1.00 0.00 H new ATOM 0 HG2 PRO R 45 11.743 -5.593 7.063 1.00 0.00 H new ATOM 0 HG3 PRO R 45 11.947 -6.406 5.523 1.00 0.00 H new ATOM 0 HD2 PRO R 45 13.893 -6.233 7.629 1.00 0.00 H new ATOM 0 HD3 PRO R 45 14.149 -6.908 6.033 1.00 0.00 H new ATOM 696 N ASP R 46 13.563 -2.439 7.429 1.00 0.00 N ATOM 697 CA ASP R 46 13.604 -1.192 8.218 1.00 0.00 C ATOM 698 C ASP R 46 14.983 -0.535 8.159 1.00 0.00 C ATOM 699 O ASP R 46 15.092 0.662 7.985 1.00 0.00 O ATOM 700 CB ASP R 46 13.286 -1.574 9.664 1.00 0.00 C ATOM 701 CG ASP R 46 14.498 -2.270 10.288 1.00 0.00 C ATOM 702 OD1 ASP R 46 15.334 -1.547 10.803 1.00 0.00 O ATOM 703 OD2 ASP R 46 14.520 -3.489 10.214 1.00 0.00 O ATOM 0 H ASP R 46 13.201 -3.253 7.925 1.00 0.00 H new ATOM 0 HA ASP R 46 12.887 -0.476 7.817 1.00 0.00 H new ATOM 0 HB2 ASP R 46 13.029 -0.684 10.238 1.00 0.00 H new ATOM 0 HB3 ASP R 46 12.419 -2.234 9.694 1.00 0.00 H new ATOM 708 N GLU R 47 16.009 -1.327 8.307 1.00 0.00 N ATOM 709 CA GLU R 47 17.383 -0.756 8.260 1.00 0.00 C ATOM 710 C GLU R 47 17.797 -0.438 6.825 1.00 0.00 C ATOM 711 O GLU R 47 18.496 0.523 6.577 1.00 0.00 O ATOM 712 CB GLU R 47 18.361 -1.793 8.824 1.00 0.00 C ATOM 713 CG GLU R 47 19.689 -1.104 9.145 1.00 0.00 C ATOM 714 CD GLU R 47 19.641 -0.558 10.573 1.00 0.00 C ATOM 715 OE1 GLU R 47 18.960 0.440 10.746 1.00 0.00 O ATOM 716 OE2 GLU R 47 20.285 -1.170 11.408 1.00 0.00 O ATOM 0 H GLU R 47 15.957 -2.335 8.457 1.00 0.00 H new ATOM 0 HA GLU R 47 17.398 0.164 8.844 1.00 0.00 H new ATOM 0 HB2 GLU R 47 17.947 -2.250 9.723 1.00 0.00 H new ATOM 0 HB3 GLU R 47 18.518 -2.594 8.102 1.00 0.00 H new ATOM 0 HG2 GLU R 47 20.513 -1.810 9.040 1.00 0.00 H new ATOM 0 HG3 GLU R 47 19.872 -0.294 8.439 1.00 0.00 H new ATOM 723 N ARG R 48 17.349 -1.250 5.910 1.00 0.00 N ATOM 724 CA ARG R 48 17.700 -1.020 4.485 1.00 0.00 C ATOM 725 C ARG R 48 17.319 0.393 4.053 1.00 0.00 C ATOM 726 O ARG R 48 17.961 0.979 3.205 1.00 0.00 O ATOM 727 CB ARG R 48 16.929 -2.038 3.628 1.00 0.00 C ATOM 728 CG ARG R 48 17.208 -1.776 2.142 1.00 0.00 C ATOM 729 CD ARG R 48 16.616 -2.909 1.296 1.00 0.00 C ATOM 730 NE ARG R 48 15.154 -2.677 1.130 1.00 0.00 N ATOM 731 CZ ARG R 48 14.443 -3.534 0.449 1.00 0.00 C ATOM 732 NH1 ARG R 48 14.992 -4.662 0.086 1.00 0.00 N ATOM 733 NH2 ARG R 48 13.211 -3.235 0.153 1.00 0.00 N ATOM 0 H ARG R 48 16.756 -2.061 6.088 1.00 0.00 H new ATOM 0 HA ARG R 48 18.776 -1.139 4.355 1.00 0.00 H new ATOM 0 HB2 ARG R 48 17.230 -3.052 3.892 1.00 0.00 H new ATOM 0 HB3 ARG R 48 15.860 -1.960 3.827 1.00 0.00 H new ATOM 0 HG2 ARG R 48 16.774 -0.822 1.844 1.00 0.00 H new ATOM 0 HG3 ARG R 48 18.282 -1.705 1.971 1.00 0.00 H new ATOM 0 HD2 ARG R 48 17.104 -2.946 0.322 1.00 0.00 H new ATOM 0 HD3 ARG R 48 16.792 -3.871 1.778 1.00 0.00 H new ATOM 0 HE ARG R 48 14.713 -1.856 1.545 1.00 0.00 H new ATOM 0 HH11 ARG R 48 15.961 -4.861 0.335 1.00 0.00 H new ATOM 0 HH12 ARG R 48 14.452 -5.344 -0.447 1.00 0.00 H new ATOM 0 HH21 ARG R 48 12.817 -2.343 0.453 1.00 0.00 H new ATOM 0 HH22 ARG R 48 12.640 -3.892 -0.379 1.00 0.00 H new ATOM 747 N GLU R 49 16.278 0.913 4.646 1.00 0.00 N ATOM 748 CA GLU R 49 15.847 2.288 4.276 1.00 0.00 C ATOM 749 C GLU R 49 16.523 3.330 5.166 1.00 0.00 C ATOM 750 O GLU R 49 16.640 4.481 4.798 1.00 0.00 O ATOM 751 CB GLU R 49 14.328 2.386 4.457 1.00 0.00 C ATOM 752 CG GLU R 49 13.680 2.608 3.090 1.00 0.00 C ATOM 753 CD GLU R 49 13.981 1.408 2.187 1.00 0.00 C ATOM 754 OE1 GLU R 49 14.623 0.500 2.691 1.00 0.00 O ATOM 755 OE2 GLU R 49 13.556 1.469 1.047 1.00 0.00 O ATOM 0 H GLU R 49 15.715 0.451 5.361 1.00 0.00 H new ATOM 0 HA GLU R 49 16.129 2.482 3.241 1.00 0.00 H new ATOM 0 HB2 GLU R 49 13.943 1.474 4.913 1.00 0.00 H new ATOM 0 HB3 GLU R 49 14.081 3.207 5.129 1.00 0.00 H new ATOM 0 HG2 GLU R 49 12.603 2.733 3.201 1.00 0.00 H new ATOM 0 HG3 GLU R 49 14.062 3.523 2.638 1.00 0.00 H new ATOM 762 N ALA R 50 16.952 2.907 6.324 1.00 0.00 N ATOM 763 CA ALA R 50 17.624 3.859 7.250 1.00 0.00 C ATOM 764 C ALA R 50 19.103 3.992 6.897 1.00 0.00 C ATOM 765 O ALA R 50 19.788 4.874 7.378 1.00 0.00 O ATOM 766 CB ALA R 50 17.512 3.311 8.678 1.00 0.00 C ATOM 0 H ALA R 50 16.867 1.950 6.666 1.00 0.00 H new ATOM 0 HA ALA R 50 17.147 4.836 7.167 1.00 0.00 H new ATOM 0 HB1 ALA R 50 18.000 3.997 9.370 1.00 0.00 H new ATOM 0 HB2 ALA R 50 16.461 3.210 8.948 1.00 0.00 H new ATOM 0 HB3 ALA R 50 17.996 2.336 8.732 1.00 0.00 H new ATOM 772 N LEU R 51 19.562 3.110 6.054 1.00 0.00 N ATOM 773 CA LEU R 51 20.989 3.150 5.645 1.00 0.00 C ATOM 774 C LEU R 51 21.272 4.372 4.774 1.00 0.00 C ATOM 775 O LEU R 51 21.907 5.323 5.207 1.00 0.00 O ATOM 776 CB LEU R 51 21.259 1.871 4.830 1.00 0.00 C ATOM 777 CG LEU R 51 22.766 1.637 4.599 1.00 0.00 C ATOM 778 CD1 LEU R 51 23.354 2.697 3.663 1.00 0.00 C ATOM 779 CD2 LEU R 51 23.530 1.594 5.925 1.00 0.00 C ATOM 0 H LEU R 51 19.009 2.364 5.632 1.00 0.00 H new ATOM 0 HA LEU R 51 21.630 3.211 6.525 1.00 0.00 H new ATOM 0 HB2 LEU R 51 20.835 1.013 5.352 1.00 0.00 H new ATOM 0 HB3 LEU R 51 20.752 1.941 3.868 1.00 0.00 H new ATOM 0 HG LEU R 51 22.878 0.666 4.117 1.00 0.00 H new ATOM 0 HD11 LEU R 51 24.417 2.506 3.519 1.00 0.00 H new ATOM 0 HD12 LEU R 51 22.844 2.655 2.700 1.00 0.00 H new ATOM 0 HD13 LEU R 51 23.219 3.685 4.102 1.00 0.00 H new ATOM 0 HD21 LEU R 51 24.589 1.428 5.729 1.00 0.00 H new ATOM 0 HD22 LEU R 51 23.402 2.541 6.449 1.00 0.00 H new ATOM 0 HD23 LEU R 51 23.143 0.783 6.542 1.00 0.00 H new ATOM 791 N GLY R 52 20.793 4.333 3.560 1.00 0.00 N ATOM 792 CA GLY R 52 21.030 5.484 2.654 1.00 0.00 C ATOM 793 C GLY R 52 20.724 6.797 3.386 1.00 0.00 C ATOM 794 O GLY R 52 21.318 7.823 3.114 1.00 0.00 O ATOM 0 H GLY R 52 20.255 3.563 3.163 1.00 0.00 H new ATOM 0 HA2 GLY R 52 22.065 5.481 2.312 1.00 0.00 H new ATOM 0 HA3 GLY R 52 20.401 5.396 1.768 1.00 0.00 H new ATOM 798 N THR R 53 19.800 6.735 4.305 1.00 0.00 N ATOM 799 CA THR R 53 19.442 7.962 5.064 1.00 0.00 C ATOM 800 C THR R 53 20.563 8.334 6.031 1.00 0.00 C ATOM 801 O THR R 53 20.962 9.478 6.118 1.00 0.00 O ATOM 802 CB THR R 53 18.174 7.688 5.874 1.00 0.00 C ATOM 803 OG1 THR R 53 17.329 6.948 5.012 1.00 0.00 O ATOM 804 CG2 THR R 53 17.411 8.991 6.144 1.00 0.00 C ATOM 0 H THR R 53 19.282 5.894 4.560 1.00 0.00 H new ATOM 0 HA THR R 53 19.285 8.781 4.362 1.00 0.00 H new ATOM 0 HB THR R 53 18.432 7.195 6.811 1.00 0.00 H new ATOM 0 HG1 THR R 53 17.329 6.006 5.283 1.00 0.00 H new ATOM 0 HG21 THR R 53 16.512 8.774 6.721 1.00 0.00 H new ATOM 0 HG22 THR R 53 18.047 9.675 6.706 1.00 0.00 H new ATOM 0 HG23 THR R 53 17.131 9.452 5.197 1.00 0.00 H new ATOM 812 N ARG R 54 21.053 7.349 6.736 1.00 0.00 N ATOM 813 CA ARG R 54 22.147 7.617 7.705 1.00 0.00 C ATOM 814 C ARG R 54 23.253 8.449 7.064 1.00 0.00 C ATOM 815 O ARG R 54 23.820 9.316 7.697 1.00 0.00 O ATOM 816 CB ARG R 54 22.742 6.275 8.158 1.00 0.00 C ATOM 817 CG ARG R 54 23.906 6.536 9.121 1.00 0.00 C ATOM 818 CD ARG R 54 24.373 5.209 9.721 1.00 0.00 C ATOM 819 NE ARG R 54 23.244 4.592 10.472 1.00 0.00 N ATOM 820 CZ ARG R 54 23.344 3.355 10.873 1.00 0.00 C ATOM 821 NH1 ARG R 54 24.505 2.919 11.282 1.00 0.00 N ATOM 822 NH2 ARG R 54 22.282 2.599 10.858 1.00 0.00 N ATOM 0 H ARG R 54 20.744 6.379 6.681 1.00 0.00 H new ATOM 0 HA ARG R 54 21.738 8.170 8.551 1.00 0.00 H new ATOM 0 HB2 ARG R 54 21.978 5.672 8.648 1.00 0.00 H new ATOM 0 HB3 ARG R 54 23.090 5.708 7.294 1.00 0.00 H new ATOM 0 HG2 ARG R 54 24.728 7.019 8.593 1.00 0.00 H new ATOM 0 HG3 ARG R 54 23.592 7.216 9.913 1.00 0.00 H new ATOM 0 HD2 ARG R 54 24.712 4.538 8.932 1.00 0.00 H new ATOM 0 HD3 ARG R 54 25.221 5.374 10.385 1.00 0.00 H new ATOM 0 HE ARG R 54 22.401 5.131 10.671 1.00 0.00 H new ATOM 0 HH11 ARG R 54 25.312 3.543 11.284 1.00 0.00 H new ATOM 0 HH12 ARG R 54 24.605 1.955 11.600 1.00 0.00 H new ATOM 0 HH21 ARG R 54 21.391 2.977 10.536 1.00 0.00 H new ATOM 0 HH22 ARG R 54 22.342 1.629 11.168 1.00 0.00 H new ATOM 836 N VAL R 55 23.552 8.167 5.827 1.00 0.00 N ATOM 837 CA VAL R 55 24.624 8.951 5.153 1.00 0.00 C ATOM 838 C VAL R 55 24.066 10.251 4.558 1.00 0.00 C ATOM 839 O VAL R 55 24.796 11.206 4.339 1.00 0.00 O ATOM 840 CB VAL R 55 25.247 8.072 4.040 1.00 0.00 C ATOM 841 CG1 VAL R 55 24.443 6.776 3.894 1.00 0.00 C ATOM 842 CG2 VAL R 55 25.255 8.803 2.687 1.00 0.00 C ATOM 0 H VAL R 55 23.110 7.442 5.262 1.00 0.00 H new ATOM 0 HA VAL R 55 25.385 9.227 5.883 1.00 0.00 H new ATOM 0 HB VAL R 55 26.276 7.852 4.326 1.00 0.00 H new ATOM 0 HG11 VAL R 55 24.884 6.160 3.110 1.00 0.00 H new ATOM 0 HG12 VAL R 55 24.459 6.230 4.837 1.00 0.00 H new ATOM 0 HG13 VAL R 55 23.413 7.015 3.631 1.00 0.00 H new ATOM 0 HG21 VAL R 55 25.699 8.159 1.928 1.00 0.00 H new ATOM 0 HG22 VAL R 55 24.233 9.050 2.401 1.00 0.00 H new ATOM 0 HG23 VAL R 55 25.839 9.719 2.772 1.00 0.00 H new ATOM 852 N ARG R 56 22.782 10.270 4.324 1.00 0.00 N ATOM 853 CA ARG R 56 22.155 11.493 3.744 1.00 0.00 C ATOM 854 C ARG R 56 22.233 12.695 4.688 1.00 0.00 C ATOM 855 O ARG R 56 22.584 13.782 4.273 1.00 0.00 O ATOM 856 CB ARG R 56 20.678 11.186 3.465 1.00 0.00 C ATOM 857 CG ARG R 56 20.129 12.210 2.467 1.00 0.00 C ATOM 858 CD ARG R 56 18.689 11.836 2.101 1.00 0.00 C ATOM 859 NE ARG R 56 18.708 10.923 0.923 1.00 0.00 N ATOM 860 CZ ARG R 56 18.396 9.665 1.080 1.00 0.00 C ATOM 861 NH1 ARG R 56 17.156 9.352 1.343 1.00 0.00 N ATOM 862 NH2 ARG R 56 19.334 8.765 0.968 1.00 0.00 N ATOM 0 H ARG R 56 22.143 9.497 4.508 1.00 0.00 H new ATOM 0 HA ARG R 56 22.697 11.752 2.835 1.00 0.00 H new ATOM 0 HB2 ARG R 56 20.573 10.178 3.064 1.00 0.00 H new ATOM 0 HB3 ARG R 56 20.106 11.221 4.392 1.00 0.00 H new ATOM 0 HG2 ARG R 56 20.159 13.210 2.900 1.00 0.00 H new ATOM 0 HG3 ARG R 56 20.750 12.232 1.572 1.00 0.00 H new ATOM 0 HD2 ARG R 56 18.200 11.350 2.946 1.00 0.00 H new ATOM 0 HD3 ARG R 56 18.114 12.733 1.872 1.00 0.00 H new ATOM 0 HE ARG R 56 18.963 11.278 0.001 1.00 0.00 H new ATOM 0 HH11 ARG R 56 16.451 10.085 1.422 1.00 0.00 H new ATOM 0 HH12 ARG R 56 16.892 8.375 1.469 1.00 0.00 H new ATOM 0 HH21 ARG R 56 20.291 9.049 0.761 1.00 0.00 H new ATOM 0 HH22 ARG R 56 19.110 7.777 1.087 1.00 0.00 H new ATOM 876 N ILE R 57 21.905 12.490 5.933 1.00 0.00 N ATOM 877 CA ILE R 57 21.962 13.623 6.887 1.00 0.00 C ATOM 878 C ILE R 57 23.365 14.204 6.972 1.00 0.00 C ATOM 879 O ILE R 57 23.631 15.260 6.434 1.00 0.00 O ATOM 880 CB ILE R 57 21.567 13.128 8.268 1.00 0.00 C ATOM 881 CG1 ILE R 57 21.774 11.621 8.364 1.00 0.00 C ATOM 882 CG2 ILE R 57 20.083 13.444 8.478 1.00 0.00 C ATOM 883 CD1 ILE R 57 21.753 11.187 9.831 1.00 0.00 C ATOM 0 H ILE R 57 21.604 11.597 6.324 1.00 0.00 H new ATOM 0 HA ILE R 57 21.280 14.397 6.536 1.00 0.00 H new ATOM 0 HB ILE R 57 22.180 13.616 9.026 1.00 0.00 H new ATOM 0 HG12 ILE R 57 20.992 11.101 7.810 1.00 0.00 H new ATOM 0 HG13 ILE R 57 22.725 11.346 7.907 1.00 0.00 H new ATOM 0 HG21 ILE R 57 19.773 13.098 9.464 1.00 0.00 H new ATOM 0 HG22 ILE R 57 19.926 14.520 8.405 1.00 0.00 H new ATOM 0 HG23 ILE R 57 19.492 12.939 7.714 1.00 0.00 H new ATOM 0 HD11 ILE R 57 21.901 10.109 9.894 1.00 0.00 H new ATOM 0 HD12 ILE R 57 22.551 11.695 10.372 1.00 0.00 H new ATOM 0 HD13 ILE R 57 20.792 11.447 10.274 1.00 0.00 H new ATOM 895 N VAL R 58 24.224 13.502 7.668 1.00 0.00 N ATOM 896 CA VAL R 58 25.633 13.977 7.819 1.00 0.00 C ATOM 897 C VAL R 58 26.114 14.734 6.577 1.00 0.00 C ATOM 898 O VAL R 58 26.619 15.842 6.676 1.00 0.00 O ATOM 899 CB VAL R 58 26.540 12.757 8.045 1.00 0.00 C ATOM 900 CG1 VAL R 58 26.078 12.016 9.304 1.00 0.00 C ATOM 901 CG2 VAL R 58 26.441 11.810 6.847 1.00 0.00 C ATOM 0 H VAL R 58 24.011 12.622 8.137 1.00 0.00 H new ATOM 0 HA VAL R 58 25.676 14.661 8.666 1.00 0.00 H new ATOM 0 HB VAL R 58 27.571 13.090 8.162 1.00 0.00 H new ATOM 0 HG11 VAL R 58 26.717 11.149 9.471 1.00 0.00 H new ATOM 0 HG12 VAL R 58 26.141 12.684 10.163 1.00 0.00 H new ATOM 0 HG13 VAL R 58 25.047 11.687 9.175 1.00 0.00 H new ATOM 0 HG21 VAL R 58 27.086 10.947 7.011 1.00 0.00 H new ATOM 0 HG22 VAL R 58 25.410 11.476 6.731 1.00 0.00 H new ATOM 0 HG23 VAL R 58 26.757 12.332 5.944 1.00 0.00 H new ATOM 911 N GLU R 59 25.930 14.138 5.429 1.00 0.00 N ATOM 912 CA GLU R 59 26.373 14.818 4.187 1.00 0.00 C ATOM 913 C GLU R 59 25.682 16.172 4.001 1.00 0.00 C ATOM 914 O GLU R 59 26.332 17.184 3.833 1.00 0.00 O ATOM 915 CB GLU R 59 26.025 13.922 2.992 1.00 0.00 C ATOM 916 CG GLU R 59 26.319 14.684 1.698 1.00 0.00 C ATOM 917 CD GLU R 59 26.600 13.687 0.571 1.00 0.00 C ATOM 918 OE1 GLU R 59 25.626 13.231 -0.002 1.00 0.00 O ATOM 919 OE2 GLU R 59 27.773 13.438 0.350 1.00 0.00 O ATOM 0 H GLU R 59 25.498 13.223 5.302 1.00 0.00 H new ATOM 0 HA GLU R 59 27.447 14.992 4.257 1.00 0.00 H new ATOM 0 HB2 GLU R 59 26.608 13.002 3.028 1.00 0.00 H new ATOM 0 HB3 GLU R 59 24.974 13.635 3.030 1.00 0.00 H new ATOM 0 HG2 GLU R 59 25.471 15.317 1.435 1.00 0.00 H new ATOM 0 HG3 GLU R 59 27.176 15.342 1.838 1.00 0.00 H new ATOM 926 N GLU R 60 24.375 16.164 4.041 1.00 0.00 N ATOM 927 CA GLU R 60 23.620 17.440 3.864 1.00 0.00 C ATOM 928 C GLU R 60 23.869 18.430 5.005 1.00 0.00 C ATOM 929 O GLU R 60 23.608 19.608 4.862 1.00 0.00 O ATOM 930 CB GLU R 60 22.122 17.104 3.831 1.00 0.00 C ATOM 931 CG GLU R 60 21.421 18.001 2.804 1.00 0.00 C ATOM 932 CD GLU R 60 21.549 19.465 3.235 1.00 0.00 C ATOM 933 OE1 GLU R 60 21.011 19.769 4.287 1.00 0.00 O ATOM 934 OE2 GLU R 60 22.175 20.196 2.485 1.00 0.00 O ATOM 0 H GLU R 60 23.800 15.334 4.188 1.00 0.00 H new ATOM 0 HA GLU R 60 23.957 17.908 2.939 1.00 0.00 H new ATOM 0 HB2 GLU R 60 21.979 16.055 3.572 1.00 0.00 H new ATOM 0 HB3 GLU R 60 21.683 17.251 4.818 1.00 0.00 H new ATOM 0 HG2 GLU R 60 21.865 17.860 1.819 1.00 0.00 H new ATOM 0 HG3 GLU R 60 20.370 17.725 2.722 1.00 0.00 H new ATOM 941 N LEU R 61 24.370 17.953 6.109 1.00 0.00 N ATOM 942 CA LEU R 61 24.625 18.887 7.242 1.00 0.00 C ATOM 943 C LEU R 61 25.836 19.778 6.969 1.00 0.00 C ATOM 944 O LEU R 61 25.736 20.987 7.013 1.00 0.00 O ATOM 945 CB LEU R 61 24.896 18.066 8.513 1.00 0.00 C ATOM 946 CG LEU R 61 23.567 17.682 9.188 1.00 0.00 C ATOM 947 CD1 LEU R 61 23.856 16.784 10.395 1.00 0.00 C ATOM 948 CD2 LEU R 61 22.837 18.941 9.675 1.00 0.00 C ATOM 0 H LEU R 61 24.611 16.976 6.276 1.00 0.00 H new ATOM 0 HA LEU R 61 23.748 19.522 7.365 1.00 0.00 H new ATOM 0 HB2 LEU R 61 25.458 17.167 8.261 1.00 0.00 H new ATOM 0 HB3 LEU R 61 25.510 18.643 9.204 1.00 0.00 H new ATOM 0 HG LEU R 61 22.942 17.158 8.465 1.00 0.00 H new ATOM 0 HD11 LEU R 61 22.918 16.509 10.877 1.00 0.00 H new ATOM 0 HD12 LEU R 61 24.371 15.883 10.063 1.00 0.00 H new ATOM 0 HD13 LEU R 61 24.485 17.320 11.105 1.00 0.00 H new ATOM 0 HD21 LEU R 61 21.898 18.656 10.151 1.00 0.00 H new ATOM 0 HD22 LEU R 61 23.463 19.469 10.394 1.00 0.00 H new ATOM 0 HD23 LEU R 61 22.631 19.593 8.826 1.00 0.00 H new ATOM 1426 N PRO R 93 24.626 18.510 19.434 1.00 0.00 N ATOM 1427 CA PRO R 93 25.299 17.705 18.399 1.00 0.00 C ATOM 1428 C PRO R 93 26.758 18.123 18.245 1.00 0.00 C ATOM 1429 O PRO R 93 27.466 17.594 17.416 1.00 0.00 O ATOM 1430 CB PRO R 93 24.547 18.032 17.103 1.00 0.00 C ATOM 1431 CG PRO R 93 23.587 19.206 17.405 1.00 0.00 C ATOM 1432 CD PRO R 93 23.656 19.493 18.911 1.00 0.00 C ATOM 0 HA PRO R 93 25.289 16.644 18.649 1.00 0.00 H new ATOM 0 HB2 PRO R 93 25.246 18.303 16.312 1.00 0.00 H new ATOM 0 HB3 PRO R 93 23.991 17.162 16.753 1.00 0.00 H new ATOM 0 HG2 PRO R 93 23.873 20.090 16.834 1.00 0.00 H new ATOM 0 HG3 PRO R 93 22.569 18.952 17.111 1.00 0.00 H new ATOM 0 HD2 PRO R 93 23.983 20.514 19.105 1.00 0.00 H new ATOM 0 HD3 PRO R 93 22.680 19.376 19.382 1.00 0.00 H new ATOM 1440 N VAL R 94 27.169 19.090 19.018 1.00 0.00 N ATOM 1441 CA VAL R 94 28.582 19.543 18.916 1.00 0.00 C ATOM 1442 C VAL R 94 29.524 18.361 19.102 1.00 0.00 C ATOM 1443 O VAL R 94 30.704 18.452 18.828 1.00 0.00 O ATOM 1444 CB VAL R 94 28.855 20.565 20.027 1.00 0.00 C ATOM 1445 CG1 VAL R 94 30.310 21.028 19.931 1.00 0.00 C ATOM 1446 CG2 VAL R 94 27.930 21.769 19.848 1.00 0.00 C ATOM 0 H VAL R 94 26.596 19.579 19.706 1.00 0.00 H new ATOM 0 HA VAL R 94 28.747 19.988 17.935 1.00 0.00 H new ATOM 0 HB VAL R 94 28.674 20.109 21.000 1.00 0.00 H new ATOM 0 HG11 VAL R 94 30.513 21.755 20.717 1.00 0.00 H new ATOM 0 HG12 VAL R 94 30.973 20.171 20.049 1.00 0.00 H new ATOM 0 HG13 VAL R 94 30.482 21.488 18.958 1.00 0.00 H new ATOM 0 HG21 VAL R 94 28.123 22.496 20.637 1.00 0.00 H new ATOM 0 HG22 VAL R 94 28.115 22.229 18.877 1.00 0.00 H new ATOM 0 HG23 VAL R 94 26.892 21.441 19.902 1.00 0.00 H new ATOM 1456 N GLU R 95 28.979 17.273 19.566 1.00 0.00 N ATOM 1457 CA GLU R 95 29.824 16.068 19.779 1.00 0.00 C ATOM 1458 C GLU R 95 30.140 15.406 18.442 1.00 0.00 C ATOM 1459 O GLU R 95 31.052 14.613 18.331 1.00 0.00 O ATOM 1460 CB GLU R 95 29.036 15.078 20.646 1.00 0.00 C ATOM 1461 CG GLU R 95 29.066 15.547 22.100 1.00 0.00 C ATOM 1462 CD GLU R 95 27.889 14.920 22.852 1.00 0.00 C ATOM 1463 OE1 GLU R 95 26.778 15.319 22.544 1.00 0.00 O ATOM 1464 OE2 GLU R 95 28.168 14.076 23.688 1.00 0.00 O ATOM 0 H GLU R 95 27.993 17.166 19.805 1.00 0.00 H new ATOM 0 HA GLU R 95 30.757 16.355 20.264 1.00 0.00 H new ATOM 0 HB2 GLU R 95 28.006 15.009 20.295 1.00 0.00 H new ATOM 0 HB3 GLU R 95 29.468 14.081 20.564 1.00 0.00 H new ATOM 0 HG2 GLU R 95 30.007 15.260 22.568 1.00 0.00 H new ATOM 0 HG3 GLU R 95 29.005 16.634 22.146 1.00 0.00 H new ATOM 1471 N LEU R 96 29.376 15.762 17.453 1.00 0.00 N ATOM 1472 CA LEU R 96 29.586 15.186 16.104 1.00 0.00 C ATOM 1473 C LEU R 96 30.618 15.988 15.326 1.00 0.00 C ATOM 1474 O LEU R 96 31.499 15.431 14.696 1.00 0.00 O ATOM 1475 CB LEU R 96 28.233 15.229 15.373 1.00 0.00 C ATOM 1476 CG LEU R 96 28.409 14.828 13.906 1.00 0.00 C ATOM 1477 CD1 LEU R 96 29.112 13.468 13.832 1.00 0.00 C ATOM 1478 CD2 LEU R 96 27.027 14.724 13.258 1.00 0.00 C ATOM 0 H LEU R 96 28.610 16.432 17.523 1.00 0.00 H new ATOM 0 HA LEU R 96 29.957 14.164 16.187 1.00 0.00 H new ATOM 0 HB2 LEU R 96 27.528 14.555 15.859 1.00 0.00 H new ATOM 0 HB3 LEU R 96 27.810 16.232 15.435 1.00 0.00 H new ATOM 0 HG LEU R 96 29.010 15.572 13.384 1.00 0.00 H new ATOM 0 HD11 LEU R 96 29.239 13.180 12.788 1.00 0.00 H new ATOM 0 HD12 LEU R 96 30.089 13.537 14.310 1.00 0.00 H new ATOM 0 HD13 LEU R 96 28.509 12.718 14.345 1.00 0.00 H new ATOM 0 HD21 LEU R 96 27.136 14.439 12.212 1.00 0.00 H new ATOM 0 HD22 LEU R 96 26.436 13.971 13.780 1.00 0.00 H new ATOM 0 HD23 LEU R 96 26.522 15.688 13.320 1.00 0.00 H new ATOM 1490 N ARG R 97 30.498 17.279 15.383 1.00 0.00 N ATOM 1491 CA ARG R 97 31.456 18.127 14.661 1.00 0.00 C ATOM 1492 C ARG R 97 32.885 17.660 14.930 1.00 0.00 C ATOM 1493 O ARG R 97 33.793 17.964 14.186 1.00 0.00 O ATOM 1494 CB ARG R 97 31.271 19.548 15.189 1.00 0.00 C ATOM 1495 CG ARG R 97 29.932 20.102 14.695 1.00 0.00 C ATOM 1496 CD ARG R 97 29.867 21.606 14.983 1.00 0.00 C ATOM 1497 NE ARG R 97 28.674 22.177 14.293 1.00 0.00 N ATOM 1498 CZ ARG R 97 28.326 23.414 14.530 1.00 0.00 C ATOM 1499 NH1 ARG R 97 29.063 24.379 14.050 1.00 0.00 N ATOM 1500 NH2 ARG R 97 27.248 23.642 15.232 1.00 0.00 N ATOM 0 H ARG R 97 29.775 17.778 15.901 1.00 0.00 H new ATOM 0 HA ARG R 97 31.284 18.077 13.586 1.00 0.00 H new ATOM 0 HB2 ARG R 97 31.298 19.550 16.279 1.00 0.00 H new ATOM 0 HB3 ARG R 97 32.088 20.184 14.849 1.00 0.00 H new ATOM 0 HG2 ARG R 97 29.823 19.920 13.626 1.00 0.00 H new ATOM 0 HG3 ARG R 97 29.108 19.589 15.192 1.00 0.00 H new ATOM 0 HD2 ARG R 97 29.802 21.782 16.057 1.00 0.00 H new ATOM 0 HD3 ARG R 97 30.776 22.097 14.634 1.00 0.00 H new ATOM 0 HE ARG R 97 28.135 21.607 13.642 1.00 0.00 H new ATOM 0 HH11 ARG R 97 29.894 24.161 13.501 1.00 0.00 H new ATOM 0 HH12 ARG R 97 28.807 25.351 14.224 1.00 0.00 H new ATOM 0 HH21 ARG R 97 26.694 22.861 15.585 1.00 0.00 H new ATOM 0 HH22 ARG R 97 26.960 24.601 15.428 1.00 0.00 H new ATOM 1514 N GLN R 98 33.047 16.912 15.986 1.00 0.00 N ATOM 1515 CA GLN R 98 34.392 16.413 16.335 1.00 0.00 C ATOM 1516 C GLN R 98 34.945 15.491 15.247 1.00 0.00 C ATOM 1517 O GLN R 98 35.979 15.771 14.668 1.00 0.00 O ATOM 1518 CB GLN R 98 34.249 15.630 17.638 1.00 0.00 C ATOM 1519 CG GLN R 98 33.617 16.541 18.695 1.00 0.00 C ATOM 1520 CD GLN R 98 34.187 16.194 20.072 1.00 0.00 C ATOM 1521 OE1 GLN R 98 34.545 17.062 20.843 1.00 0.00 O ATOM 1522 NE2 GLN R 98 34.287 14.940 20.421 1.00 0.00 N ATOM 0 H GLN R 98 32.300 16.628 16.619 1.00 0.00 H new ATOM 0 HA GLN R 98 35.084 17.249 16.436 1.00 0.00 H new ATOM 0 HB2 GLN R 98 33.629 14.747 17.482 1.00 0.00 H new ATOM 0 HB3 GLN R 98 35.224 15.279 17.976 1.00 0.00 H new ATOM 0 HG2 GLN R 98 33.819 17.586 18.458 1.00 0.00 H new ATOM 0 HG3 GLN R 98 32.534 16.418 18.696 1.00 0.00 H new ATOM 0 HE21 GLN R 98 33.988 14.206 19.778 1.00 0.00 H new ATOM 0 HE22 GLN R 98 34.664 14.694 21.336 1.00 0.00 H new ATOM 1531 N TRP R 99 34.255 14.407 14.984 1.00 0.00 N ATOM 1532 CA TRP R 99 34.759 13.483 13.931 1.00 0.00 C ATOM 1533 C TRP R 99 34.375 13.972 12.542 1.00 0.00 C ATOM 1534 O TRP R 99 35.195 14.082 11.657 1.00 0.00 O ATOM 1535 CB TRP R 99 34.146 12.082 14.081 1.00 0.00 C ATOM 1536 CG TRP R 99 34.811 11.231 13.035 1.00 0.00 C ATOM 1537 CD1 TRP R 99 36.115 10.906 13.044 1.00 0.00 C ATOM 1538 CD2 TRP R 99 34.192 10.668 12.018 1.00 0.00 C ATOM 1539 NE1 TRP R 99 36.230 10.105 11.995 1.00 0.00 N ATOM 1540 CE2 TRP R 99 35.087 9.902 11.309 1.00 0.00 C ATOM 1541 CE3 TRP R 99 32.871 10.755 11.594 1.00 0.00 C ATOM 1542 CZ2 TRP R 99 34.682 9.217 10.212 1.00 0.00 C ATOM 1543 CZ3 TRP R 99 32.476 10.063 10.484 1.00 0.00 C ATOM 1544 CH2 TRP R 99 33.381 9.293 9.801 1.00 0.00 C ATOM 0 H TRP R 99 33.387 14.130 15.442 1.00 0.00 H new ATOM 0 HA TRP R 99 35.842 13.450 14.049 1.00 0.00 H new ATOM 0 HB2 TRP R 99 34.322 11.683 15.080 1.00 0.00 H new ATOM 0 HB3 TRP R 99 33.066 12.110 13.934 1.00 0.00 H new ATOM 0 HD1 TRP R 99 36.881 11.221 13.737 1.00 0.00 H new ATOM 0 HE1 TRP R 99 37.115 9.675 11.727 1.00 0.00 H new ATOM 0 HE3 TRP R 99 32.163 11.364 12.137 1.00 0.00 H new ATOM 0 HZ2 TRP R 99 35.387 8.611 9.663 1.00 0.00 H new ATOM 0 HZ3 TRP R 99 31.452 10.123 10.145 1.00 0.00 H new ATOM 0 HH2 TRP R 99 33.063 8.741 8.929 1.00 0.00 H new ATOM 1555 N LEU R 100 33.120 14.214 12.375 1.00 0.00 N ATOM 1556 CA LEU R 100 32.631 14.694 11.063 1.00 0.00 C ATOM 1557 C LEU R 100 33.546 15.760 10.448 1.00 0.00 C ATOM 1558 O LEU R 100 33.978 15.623 9.321 1.00 0.00 O ATOM 1559 CB LEU R 100 31.253 15.289 11.277 1.00 0.00 C ATOM 1560 CG LEU R 100 30.400 15.005 10.044 1.00 0.00 C ATOM 1561 CD1 LEU R 100 29.830 13.587 10.127 1.00 0.00 C ATOM 1562 CD2 LEU R 100 29.250 16.000 10.004 1.00 0.00 C ATOM 0 H LEU R 100 32.403 14.101 13.092 1.00 0.00 H new ATOM 0 HA LEU R 100 32.611 13.852 10.372 1.00 0.00 H new ATOM 0 HB2 LEU R 100 30.789 14.858 12.164 1.00 0.00 H new ATOM 0 HB3 LEU R 100 31.327 16.363 11.446 1.00 0.00 H new ATOM 0 HG LEU R 100 31.011 15.098 9.146 1.00 0.00 H new ATOM 0 HD11 LEU R 100 29.221 13.387 9.245 1.00 0.00 H new ATOM 0 HD12 LEU R 100 30.648 12.868 10.174 1.00 0.00 H new ATOM 0 HD13 LEU R 100 29.214 13.494 11.021 1.00 0.00 H new ATOM 0 HD21 LEU R 100 28.633 15.807 9.127 1.00 0.00 H new ATOM 0 HD22 LEU R 100 28.645 15.893 10.904 1.00 0.00 H new ATOM 0 HD23 LEU R 100 29.648 17.014 9.952 1.00 0.00 H new ATOM 1574 N GLU R 101 33.828 16.805 11.183 1.00 0.00 N ATOM 1575 CA GLU R 101 34.709 17.859 10.624 1.00 0.00 C ATOM 1576 C GLU R 101 36.016 17.265 10.099 1.00 0.00 C ATOM 1577 O GLU R 101 36.701 17.878 9.304 1.00 0.00 O ATOM 1578 CB GLU R 101 35.025 18.859 11.740 1.00 0.00 C ATOM 1579 CG GLU R 101 35.720 20.067 11.128 1.00 0.00 C ATOM 1580 CD GLU R 101 35.899 21.149 12.196 1.00 0.00 C ATOM 1581 OE1 GLU R 101 36.653 20.879 13.117 1.00 0.00 O ATOM 1582 OE2 GLU R 101 35.273 22.183 12.030 1.00 0.00 O ATOM 0 H GLU R 101 33.490 16.968 12.131 1.00 0.00 H new ATOM 0 HA GLU R 101 34.199 18.346 9.793 1.00 0.00 H new ATOM 0 HB2 GLU R 101 34.108 19.165 12.244 1.00 0.00 H new ATOM 0 HB3 GLU R 101 35.663 18.396 12.493 1.00 0.00 H new ATOM 0 HG2 GLU R 101 36.690 19.776 10.724 1.00 0.00 H new ATOM 0 HG3 GLU R 101 35.132 20.456 10.297 1.00 0.00 H new ATOM 1589 N GLU R 102 36.334 16.084 10.559 1.00 0.00 N ATOM 1590 CA GLU R 102 37.592 15.427 10.103 1.00 0.00 C ATOM 1591 C GLU R 102 37.322 14.413 8.983 1.00 0.00 C ATOM 1592 O GLU R 102 38.245 13.972 8.324 1.00 0.00 O ATOM 1593 CB GLU R 102 38.229 14.691 11.299 1.00 0.00 C ATOM 1594 CG GLU R 102 38.800 15.716 12.288 1.00 0.00 C ATOM 1595 CD GLU R 102 40.307 15.497 12.431 1.00 0.00 C ATOM 1596 OE1 GLU R 102 41.018 16.102 11.643 1.00 0.00 O ATOM 1597 OE2 GLU R 102 40.664 14.739 13.318 1.00 0.00 O ATOM 0 H GLU R 102 35.780 15.549 11.227 1.00 0.00 H new ATOM 0 HA GLU R 102 38.261 16.195 9.715 1.00 0.00 H new ATOM 0 HB2 GLU R 102 37.484 14.068 11.794 1.00 0.00 H new ATOM 0 HB3 GLU R 102 39.020 14.026 10.951 1.00 0.00 H new ATOM 0 HG2 GLU R 102 38.600 16.728 11.936 1.00 0.00 H new ATOM 0 HG3 GLU R 102 38.313 15.613 13.258 1.00 0.00 H new ATOM 1604 N VAL R 103 36.071 14.066 8.781 1.00 0.00 N ATOM 1605 CA VAL R 103 35.750 13.078 7.701 1.00 0.00 C ATOM 1606 C VAL R 103 35.193 13.752 6.444 1.00 0.00 C ATOM 1607 O VAL R 103 35.373 13.259 5.349 1.00 0.00 O ATOM 1608 CB VAL R 103 34.704 12.079 8.226 1.00 0.00 C ATOM 1609 CG1 VAL R 103 33.291 12.629 8.003 1.00 0.00 C ATOM 1610 CG2 VAL R 103 34.846 10.773 7.445 1.00 0.00 C ATOM 0 H VAL R 103 35.271 14.417 9.308 1.00 0.00 H new ATOM 0 HA VAL R 103 36.678 12.574 7.431 1.00 0.00 H new ATOM 0 HB VAL R 103 34.863 11.915 9.292 1.00 0.00 H new ATOM 0 HG11 VAL R 103 32.559 11.914 8.378 1.00 0.00 H new ATOM 0 HG12 VAL R 103 33.180 13.574 8.534 1.00 0.00 H new ATOM 0 HG13 VAL R 103 33.127 12.791 6.938 1.00 0.00 H new ATOM 0 HG21 VAL R 103 34.111 10.052 7.804 1.00 0.00 H new ATOM 0 HG22 VAL R 103 34.679 10.963 6.385 1.00 0.00 H new ATOM 0 HG23 VAL R 103 35.849 10.371 7.588 1.00 0.00 H new ATOM 1620 N LEU R 104 34.529 14.861 6.615 1.00 0.00 N ATOM 1621 CA LEU R 104 33.964 15.557 5.429 1.00 0.00 C ATOM 1622 C LEU R 104 35.008 16.469 4.793 1.00 0.00 C ATOM 1623 O LEU R 104 35.036 16.638 3.591 1.00 0.00 O ATOM 1624 CB LEU R 104 32.775 16.418 5.899 1.00 0.00 C ATOM 1625 CG LEU R 104 31.445 15.955 5.267 1.00 0.00 C ATOM 1626 CD1 LEU R 104 31.483 16.153 3.741 1.00 0.00 C ATOM 1627 CD2 LEU R 104 31.159 14.482 5.619 1.00 0.00 C ATOM 0 H LEU R 104 34.355 15.310 7.514 1.00 0.00 H new ATOM 0 HA LEU R 104 33.649 14.818 4.693 1.00 0.00 H new ATOM 0 HB2 LEU R 104 32.698 16.369 6.985 1.00 0.00 H new ATOM 0 HB3 LEU R 104 32.957 17.461 5.640 1.00 0.00 H new ATOM 0 HG LEU R 104 30.637 16.563 5.675 1.00 0.00 H new ATOM 0 HD11 LEU R 104 30.539 15.823 3.308 1.00 0.00 H new ATOM 0 HD12 LEU R 104 31.637 17.208 3.515 1.00 0.00 H new ATOM 0 HD13 LEU R 104 32.300 15.569 3.319 1.00 0.00 H new ATOM 0 HD21 LEU R 104 30.217 14.175 5.164 1.00 0.00 H new ATOM 0 HD22 LEU R 104 31.966 13.854 5.241 1.00 0.00 H new ATOM 0 HD23 LEU R 104 31.091 14.373 6.701 1.00 0.00 H new ATOM 1639 N LEU R 105 35.853 17.029 5.619 1.00 0.00 N ATOM 1640 CA LEU R 105 36.911 17.936 5.096 1.00 0.00 C ATOM 1641 C LEU R 105 38.283 17.265 5.123 1.00 0.00 C ATOM 1642 O LEU R 105 38.981 17.243 4.127 1.00 0.00 O ATOM 1643 CB LEU R 105 36.965 19.175 6.001 1.00 0.00 C ATOM 1644 CG LEU R 105 36.479 20.406 5.231 1.00 0.00 C ATOM 1645 CD1 LEU R 105 34.964 20.309 5.021 1.00 0.00 C ATOM 1646 CD2 LEU R 105 36.793 21.657 6.050 1.00 0.00 C ATOM 0 H LEU R 105 35.854 16.896 6.630 1.00 0.00 H new ATOM 0 HA LEU R 105 36.672 18.196 4.065 1.00 0.00 H new ATOM 0 HB2 LEU R 105 36.344 19.019 6.883 1.00 0.00 H new ATOM 0 HB3 LEU R 105 37.984 19.335 6.353 1.00 0.00 H new ATOM 0 HG LEU R 105 36.978 20.458 4.264 1.00 0.00 H new ATOM 0 HD11 LEU R 105 34.616 21.185 4.473 1.00 0.00 H new ATOM 0 HD12 LEU R 105 34.732 19.409 4.452 1.00 0.00 H new ATOM 0 HD13 LEU R 105 34.465 20.265 5.989 1.00 0.00 H new ATOM 0 HD21 LEU R 105 36.451 22.540 5.511 1.00 0.00 H new ATOM 0 HD22 LEU R 105 36.284 21.599 7.012 1.00 0.00 H new ATOM 0 HD23 LEU R 105 37.869 21.725 6.212 1.00 0.00 H new ATOM 1871 N HIS S 16 24.177 0.155 -6.322 1.00 0.00 N ATOM 1872 CA HIS S 16 24.779 0.166 -4.959 1.00 0.00 C ATOM 1873 C HIS S 16 25.964 1.134 -4.951 1.00 0.00 C ATOM 1874 O HIS S 16 27.110 0.725 -4.934 1.00 0.00 O ATOM 1875 CB HIS S 16 25.285 -1.248 -4.627 1.00 0.00 C ATOM 1876 CG HIS S 16 24.201 -2.025 -3.875 1.00 0.00 C ATOM 1877 ND1 HIS S 16 23.275 -1.509 -3.179 1.00 0.00 N ATOM 1878 CD2 HIS S 16 23.998 -3.390 -3.778 1.00 0.00 C ATOM 1879 CE1 HIS S 16 22.532 -2.417 -2.669 1.00 0.00 C ATOM 1880 NE2 HIS S 16 22.928 -3.634 -3.005 1.00 0.00 N ATOM 0 HA HIS S 16 24.037 0.478 -4.224 1.00 0.00 H new ATOM 0 HB2 HIS S 16 25.551 -1.773 -5.544 1.00 0.00 H new ATOM 0 HB3 HIS S 16 26.189 -1.187 -4.020 1.00 0.00 H new ATOM 0 HD2 HIS S 16 24.608 -4.145 -4.252 1.00 0.00 H new ATOM 0 HE1 HIS S 16 21.680 -2.214 -2.037 1.00 0.00 H new ATOM 0 HE2 HIS S 16 22.522 -4.532 -2.743 1.00 0.00 H new ATOM 1888 N GLN S 17 25.662 2.407 -4.973 1.00 0.00 N ATOM 1889 CA GLN S 17 26.753 3.423 -4.970 1.00 0.00 C ATOM 1890 C GLN S 17 27.065 3.945 -3.565 1.00 0.00 C ATOM 1891 O GLN S 17 28.203 4.231 -3.251 1.00 0.00 O ATOM 1892 CB GLN S 17 26.311 4.613 -5.840 1.00 0.00 C ATOM 1893 CG GLN S 17 24.783 4.663 -5.920 1.00 0.00 C ATOM 1894 CD GLN S 17 24.361 5.952 -6.626 1.00 0.00 C ATOM 1895 OE1 GLN S 17 25.098 6.510 -7.416 1.00 0.00 O ATOM 1896 NE2 GLN S 17 23.190 6.460 -6.368 1.00 0.00 N ATOM 0 H GLN S 17 24.714 2.783 -4.993 1.00 0.00 H new ATOM 0 HA GLN S 17 27.653 2.945 -5.357 1.00 0.00 H new ATOM 0 HB2 GLN S 17 26.692 5.543 -5.419 1.00 0.00 H new ATOM 0 HB3 GLN S 17 26.733 4.519 -6.841 1.00 0.00 H new ATOM 0 HG2 GLN S 17 24.406 3.796 -6.463 1.00 0.00 H new ATOM 0 HG3 GLN S 17 24.353 4.624 -4.919 1.00 0.00 H new ATOM 0 HE21 GLN S 17 22.568 5.996 -5.706 1.00 0.00 H new ATOM 0 HE22 GLN S 17 22.895 7.322 -6.828 1.00 0.00 H new ATOM 1905 N GLU S 18 26.058 4.058 -2.745 1.00 0.00 N ATOM 1906 CA GLU S 18 26.309 4.563 -1.362 1.00 0.00 C ATOM 1907 C GLU S 18 26.583 3.416 -0.398 1.00 0.00 C ATOM 1908 O GLU S 18 27.488 3.477 0.409 1.00 0.00 O ATOM 1909 CB GLU S 18 25.064 5.320 -0.884 1.00 0.00 C ATOM 1910 CG GLU S 18 24.763 6.456 -1.859 1.00 0.00 C ATOM 1911 CD GLU S 18 25.059 7.797 -1.182 1.00 0.00 C ATOM 1912 OE1 GLU S 18 24.278 8.146 -0.313 1.00 0.00 O ATOM 1913 OE2 GLU S 18 26.049 8.393 -1.572 1.00 0.00 O ATOM 0 H GLU S 18 25.089 3.828 -2.964 1.00 0.00 H new ATOM 0 HA GLU S 18 27.182 5.215 -1.382 1.00 0.00 H new ATOM 0 HB2 GLU S 18 24.213 4.642 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU S 18 25.228 5.718 0.118 1.00 0.00 H new ATOM 0 HG2 GLU S 18 25.369 6.348 -2.759 1.00 0.00 H new ATOM 0 HG3 GLU S 18 23.719 6.416 -2.171 1.00 0.00 H new ATOM 1920 N TRP S 19 25.779 2.401 -0.501 1.00 0.00 N ATOM 1921 CA TRP S 19 25.936 1.213 0.380 1.00 0.00 C ATOM 1922 C TRP S 19 27.405 0.794 0.545 1.00 0.00 C ATOM 1923 O TRP S 19 27.715 0.002 1.413 1.00 0.00 O ATOM 1924 CB TRP S 19 25.149 0.078 -0.276 1.00 0.00 C ATOM 1925 CG TRP S 19 25.471 -1.232 0.419 1.00 0.00 C ATOM 1926 CD1 TRP S 19 26.350 -2.138 -0.036 1.00 0.00 C ATOM 1927 CD2 TRP S 19 24.903 -1.660 1.545 1.00 0.00 C ATOM 1928 NE1 TRP S 19 26.285 -3.113 0.866 1.00 0.00 N ATOM 1929 CE2 TRP S 19 25.412 -2.900 1.878 1.00 0.00 C ATOM 1930 CE3 TRP S 19 23.909 -1.093 2.332 1.00 0.00 C ATOM 1931 CZ2 TRP S 19 24.942 -3.570 2.978 1.00 0.00 C ATOM 1932 CZ3 TRP S 19 23.433 -1.783 3.432 1.00 0.00 C ATOM 1933 CH2 TRP S 19 23.951 -3.017 3.753 1.00 0.00 C ATOM 0 H TRP S 19 25.009 2.342 -1.167 1.00 0.00 H new ATOM 0 HA TRP S 19 25.569 1.449 1.379 1.00 0.00 H new ATOM 0 HB2 TRP S 19 24.080 0.281 -0.215 1.00 0.00 H new ATOM 0 HB3 TRP S 19 25.401 0.011 -1.334 1.00 0.00 H new ATOM 0 HD1 TRP S 19 26.964 -2.087 -0.923 1.00 0.00 H new ATOM 0 HE1 TRP S 19 26.851 -3.959 0.800 1.00 0.00 H new ATOM 0 HE3 TRP S 19 23.510 -0.120 2.087 1.00 0.00 H new ATOM 0 HZ2 TRP S 19 25.352 -4.535 3.236 1.00 0.00 H new ATOM 0 HZ3 TRP S 19 22.652 -1.352 4.041 1.00 0.00 H new ATOM 0 HH2 TRP S 19 23.578 -3.551 4.615 1.00 0.00 H new ATOM 1944 N LEU S 20 28.278 1.322 -0.283 1.00 0.00 N ATOM 1945 CA LEU S 20 29.726 0.948 -0.168 1.00 0.00 C ATOM 1946 C LEU S 20 30.594 2.145 0.221 1.00 0.00 C ATOM 1947 O LEU S 20 30.945 2.318 1.371 1.00 0.00 O ATOM 1948 CB LEU S 20 30.218 0.430 -1.530 1.00 0.00 C ATOM 1949 CG LEU S 20 29.526 -0.896 -1.867 1.00 0.00 C ATOM 1950 CD1 LEU S 20 30.022 -1.385 -3.229 1.00 0.00 C ATOM 1951 CD2 LEU S 20 29.872 -1.948 -0.808 1.00 0.00 C ATOM 0 H LEU S 20 28.055 1.987 -1.024 1.00 0.00 H new ATOM 0 HA LEU S 20 29.811 0.186 0.607 1.00 0.00 H new ATOM 0 HB2 LEU S 20 30.009 1.167 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU S 20 31.299 0.290 -1.506 1.00 0.00 H new ATOM 0 HG LEU S 20 28.447 -0.744 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU S 20 29.535 -2.328 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU S 20 29.784 -0.643 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU S 20 31.101 -1.533 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU S 20 29.377 -2.888 -1.053 1.00 0.00 H new ATOM 0 HD22 LEU S 20 30.951 -2.101 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU S 20 29.534 -1.605 0.170 1.00 0.00 H new ATOM 1963 N ARG S 21 30.922 2.943 -0.757 1.00 0.00 N ATOM 1964 CA ARG S 21 31.768 4.140 -0.499 1.00 0.00 C ATOM 1965 C ARG S 21 31.416 4.844 0.816 1.00 0.00 C ATOM 1966 O ARG S 21 32.295 5.284 1.531 1.00 0.00 O ATOM 1967 CB ARG S 21 31.550 5.134 -1.650 1.00 0.00 C ATOM 1968 CG ARG S 21 32.076 4.533 -2.962 1.00 0.00 C ATOM 1969 CD ARG S 21 32.461 5.668 -3.915 1.00 0.00 C ATOM 1970 NE ARG S 21 32.181 5.253 -5.318 1.00 0.00 N ATOM 1971 CZ ARG S 21 32.143 6.166 -6.254 1.00 0.00 C ATOM 1972 NH1 ARG S 21 33.132 7.011 -6.347 1.00 0.00 N ATOM 1973 NH2 ARG S 21 31.116 6.204 -7.057 1.00 0.00 N ATOM 0 H ARG S 21 30.639 2.816 -1.729 1.00 0.00 H new ATOM 0 HA ARG S 21 32.804 3.807 -0.428 1.00 0.00 H new ATOM 0 HB2 ARG S 21 30.490 5.367 -1.745 1.00 0.00 H new ATOM 0 HB3 ARG S 21 32.065 6.071 -1.436 1.00 0.00 H new ATOM 0 HG2 ARG S 21 32.940 3.898 -2.765 1.00 0.00 H new ATOM 0 HG3 ARG S 21 31.314 3.901 -3.418 1.00 0.00 H new ATOM 0 HD2 ARG S 21 31.898 6.569 -3.671 1.00 0.00 H new ATOM 0 HD3 ARG S 21 33.517 5.912 -3.800 1.00 0.00 H new ATOM 0 HE ARG S 21 32.021 4.272 -5.545 1.00 0.00 H new ATOM 0 HH11 ARG S 21 33.916 6.952 -5.697 1.00 0.00 H new ATOM 0 HH12 ARG S 21 33.122 7.731 -7.070 1.00 0.00 H new ATOM 0 HH21 ARG S 21 30.359 5.529 -6.949 1.00 0.00 H new ATOM 0 HH22 ARG S 21 31.070 6.909 -7.793 1.00 0.00 H new ATOM 1987 N PHE S 22 30.152 4.935 1.126 1.00 0.00 N ATOM 1988 CA PHE S 22 29.779 5.618 2.397 1.00 0.00 C ATOM 1989 C PHE S 22 29.830 4.667 3.585 1.00 0.00 C ATOM 1990 O PHE S 22 30.490 4.940 4.575 1.00 0.00 O ATOM 1991 CB PHE S 22 28.360 6.170 2.258 1.00 0.00 C ATOM 1992 CG PHE S 22 28.442 7.693 2.145 1.00 0.00 C ATOM 1993 CD1 PHE S 22 28.600 8.473 3.276 1.00 0.00 C ATOM 1994 CD2 PHE S 22 28.399 8.305 0.907 1.00 0.00 C ATOM 1995 CE1 PHE S 22 28.714 9.844 3.170 1.00 0.00 C ATOM 1996 CE2 PHE S 22 28.513 9.676 0.800 1.00 0.00 C ATOM 1997 CZ PHE S 22 28.671 10.446 1.932 1.00 0.00 C ATOM 0 H PHE S 22 29.377 4.575 0.569 1.00 0.00 H new ATOM 0 HA PHE S 22 30.495 6.420 2.579 1.00 0.00 H new ATOM 0 HB2 PHE S 22 27.875 5.750 1.377 1.00 0.00 H new ATOM 0 HB3 PHE S 22 27.757 5.886 3.120 1.00 0.00 H new ATOM 0 HD1 PHE S 22 28.634 8.006 4.249 1.00 0.00 H new ATOM 0 HD2 PHE S 22 28.275 7.706 0.017 1.00 0.00 H new ATOM 0 HE1 PHE S 22 28.837 10.446 4.059 1.00 0.00 H new ATOM 0 HE2 PHE S 22 28.478 10.146 -0.172 1.00 0.00 H new ATOM 0 HZ PHE S 22 28.761 11.519 1.849 1.00 0.00 H new ATOM 2007 N VAL S 23 29.131 3.574 3.482 1.00 0.00 N ATOM 2008 CA VAL S 23 29.147 2.616 4.609 1.00 0.00 C ATOM 2009 C VAL S 23 30.583 2.389 5.070 1.00 0.00 C ATOM 2010 O VAL S 23 30.825 2.010 6.198 1.00 0.00 O ATOM 2011 CB VAL S 23 28.541 1.295 4.132 1.00 0.00 C ATOM 2012 CG1 VAL S 23 28.834 0.207 5.164 1.00 0.00 C ATOM 2013 CG2 VAL S 23 27.026 1.474 4.005 1.00 0.00 C ATOM 0 H VAL S 23 28.560 3.309 2.680 1.00 0.00 H new ATOM 0 HA VAL S 23 28.568 3.011 5.444 1.00 0.00 H new ATOM 0 HB VAL S 23 28.968 1.010 3.171 1.00 0.00 H new ATOM 0 HG11 VAL S 23 28.404 -0.737 4.829 1.00 0.00 H new ATOM 0 HG12 VAL S 23 29.912 0.095 5.278 1.00 0.00 H new ATOM 0 HG13 VAL S 23 28.395 0.486 6.122 1.00 0.00 H new ATOM 0 HG21 VAL S 23 26.577 0.541 3.665 1.00 0.00 H new ATOM 0 HG22 VAL S 23 26.609 1.746 4.975 1.00 0.00 H new ATOM 0 HG23 VAL S 23 26.812 2.263 3.284 1.00 0.00 H new ATOM 2023 N ASP S 24 31.509 2.629 4.179 1.00 0.00 N ATOM 2024 CA ASP S 24 32.936 2.439 4.542 1.00 0.00 C ATOM 2025 C ASP S 24 33.339 3.521 5.534 1.00 0.00 C ATOM 2026 O ASP S 24 34.051 3.266 6.487 1.00 0.00 O ATOM 2027 CB ASP S 24 33.786 2.576 3.274 1.00 0.00 C ATOM 2028 CG ASP S 24 33.877 1.217 2.577 1.00 0.00 C ATOM 2029 OD1 ASP S 24 32.828 0.746 2.171 1.00 0.00 O ATOM 2030 OD2 ASP S 24 34.991 0.724 2.495 1.00 0.00 O ATOM 0 H ASP S 24 31.337 2.946 3.225 1.00 0.00 H new ATOM 0 HA ASP S 24 33.086 1.455 4.987 1.00 0.00 H new ATOM 0 HB2 ASP S 24 33.343 3.313 2.603 1.00 0.00 H new ATOM 0 HB3 ASP S 24 34.783 2.935 3.528 1.00 0.00 H new ATOM 2035 N LEU S 25 32.877 4.716 5.284 1.00 0.00 N ATOM 2036 CA LEU S 25 33.215 5.832 6.199 1.00 0.00 C ATOM 2037 C LEU S 25 32.712 5.496 7.598 1.00 0.00 C ATOM 2038 O LEU S 25 33.250 5.948 8.591 1.00 0.00 O ATOM 2039 CB LEU S 25 32.513 7.098 5.689 1.00 0.00 C ATOM 2040 CG LEU S 25 32.930 7.341 4.235 1.00 0.00 C ATOM 2041 CD1 LEU S 25 32.228 8.593 3.708 1.00 0.00 C ATOM 2042 CD2 LEU S 25 34.446 7.546 4.169 1.00 0.00 C ATOM 0 H LEU S 25 32.285 4.962 4.491 1.00 0.00 H new ATOM 0 HA LEU S 25 34.293 5.990 6.233 1.00 0.00 H new ATOM 0 HB2 LEU S 25 31.431 6.983 5.757 1.00 0.00 H new ATOM 0 HB3 LEU S 25 32.783 7.954 6.307 1.00 0.00 H new ATOM 0 HG LEU S 25 32.650 6.481 3.627 1.00 0.00 H new ATOM 0 HD11 LEU S 25 32.524 8.768 2.673 1.00 0.00 H new ATOM 0 HD12 LEU S 25 31.148 8.453 3.758 1.00 0.00 H new ATOM 0 HD13 LEU S 25 32.511 9.452 4.316 1.00 0.00 H new ATOM 0 HD21 LEU S 25 34.745 7.719 3.135 1.00 0.00 H new ATOM 0 HD22 LEU S 25 34.723 8.408 4.776 1.00 0.00 H new ATOM 0 HD23 LEU S 25 34.950 6.657 4.549 1.00 0.00 H new ATOM 2054 N LEU S 26 31.673 4.712 7.649 1.00 0.00 N ATOM 2055 CA LEU S 26 31.128 4.334 8.976 1.00 0.00 C ATOM 2056 C LEU S 26 32.215 3.650 9.803 1.00 0.00 C ATOM 2057 O LEU S 26 32.350 3.894 10.988 1.00 0.00 O ATOM 2058 CB LEU S 26 29.973 3.345 8.763 1.00 0.00 C ATOM 2059 CG LEU S 26 29.169 3.215 10.060 1.00 0.00 C ATOM 2060 CD1 LEU S 26 28.078 4.287 10.091 1.00 0.00 C ATOM 2061 CD2 LEU S 26 28.512 1.832 10.112 1.00 0.00 C ATOM 0 H LEU S 26 31.186 4.323 6.842 1.00 0.00 H new ATOM 0 HA LEU S 26 30.780 5.225 9.499 1.00 0.00 H new ATOM 0 HB2 LEU S 26 29.328 3.691 7.955 1.00 0.00 H new ATOM 0 HB3 LEU S 26 30.363 2.372 8.465 1.00 0.00 H new ATOM 0 HG LEU S 26 29.834 3.341 10.914 1.00 0.00 H new ATOM 0 HD11 LEU S 26 27.505 4.196 11.014 1.00 0.00 H new ATOM 0 HD12 LEU S 26 28.537 5.275 10.045 1.00 0.00 H new ATOM 0 HD13 LEU S 26 27.414 4.155 9.237 1.00 0.00 H new ATOM 0 HD21 LEU S 26 27.939 1.736 11.034 1.00 0.00 H new ATOM 0 HD22 LEU S 26 27.847 1.713 9.257 1.00 0.00 H new ATOM 0 HD23 LEU S 26 29.283 1.062 10.082 1.00 0.00 H new ATOM 2073 N LYS S 27 32.979 2.807 9.152 1.00 0.00 N ATOM 2074 CA LYS S 27 34.063 2.095 9.870 1.00 0.00 C ATOM 2075 C LYS S 27 35.183 3.053 10.286 1.00 0.00 C ATOM 2076 O LYS S 27 35.911 2.787 11.221 1.00 0.00 O ATOM 2077 CB LYS S 27 34.602 0.992 8.940 1.00 0.00 C ATOM 2078 CG LYS S 27 35.952 1.385 8.336 1.00 0.00 C ATOM 2079 CD LYS S 27 36.269 0.432 7.182 1.00 0.00 C ATOM 2080 CE LYS S 27 37.676 0.722 6.657 1.00 0.00 C ATOM 2081 NZ LYS S 27 37.732 2.078 6.040 1.00 0.00 N ATOM 0 H LYS S 27 32.894 2.587 8.160 1.00 0.00 H new ATOM 0 HA LYS S 27 33.670 1.657 10.787 1.00 0.00 H new ATOM 0 HB2 LYS S 27 34.708 0.062 9.499 1.00 0.00 H new ATOM 0 HB3 LYS S 27 33.885 0.804 8.141 1.00 0.00 H new ATOM 0 HG2 LYS S 27 35.921 2.414 7.978 1.00 0.00 H new ATOM 0 HG3 LYS S 27 36.734 1.334 9.094 1.00 0.00 H new ATOM 0 HD2 LYS S 27 36.201 -0.602 7.520 1.00 0.00 H new ATOM 0 HD3 LYS S 27 35.538 0.555 6.383 1.00 0.00 H new ATOM 0 HE2 LYS S 27 38.396 0.657 7.473 1.00 0.00 H new ATOM 0 HE3 LYS S 27 37.959 -0.031 5.921 1.00 0.00 H new ATOM 0 HZ1 LYS S 27 38.258 2.030 5.144 1.00 0.00 H new ATOM 0 HZ2 LYS S 27 36.766 2.416 5.857 1.00 0.00 H new ATOM 0 HZ3 LYS S 27 38.212 2.735 6.688 1.00 0.00 H new ATOM 2095 N ASN S 28 35.303 4.156 9.585 1.00 0.00 N ATOM 2096 CA ASN S 28 36.377 5.126 9.947 1.00 0.00 C ATOM 2097 C ASN S 28 36.076 5.762 11.302 1.00 0.00 C ATOM 2098 O ASN S 28 36.924 5.798 12.174 1.00 0.00 O ATOM 2099 CB ASN S 28 36.448 6.225 8.878 1.00 0.00 C ATOM 2100 CG ASN S 28 37.173 5.681 7.644 1.00 0.00 C ATOM 2101 OD1 ASN S 28 38.232 6.148 7.280 1.00 0.00 O ATOM 2102 ND2 ASN S 28 36.641 4.693 6.974 1.00 0.00 N ATOM 0 H ASN S 28 34.715 4.420 8.794 1.00 0.00 H new ATOM 0 HA ASN S 28 37.329 4.599 10.004 1.00 0.00 H new ATOM 0 HB2 ASN S 28 35.444 6.553 8.609 1.00 0.00 H new ATOM 0 HB3 ASN S 28 36.974 7.096 9.269 1.00 0.00 H new ATOM 0 HD21 ASN S 28 37.116 4.320 6.152 1.00 0.00 H new ATOM 0 HD22 ASN S 28 35.751 4.295 7.273 1.00 0.00 H new ATOM 2109 N ALA S 29 34.876 6.256 11.459 1.00 0.00 N ATOM 2110 CA ALA S 29 34.516 6.887 12.760 1.00 0.00 C ATOM 2111 C ALA S 29 34.688 5.865 13.867 1.00 0.00 C ATOM 2112 O ALA S 29 35.228 6.156 14.916 1.00 0.00 O ATOM 2113 CB ALA S 29 33.044 7.309 12.717 1.00 0.00 C ATOM 0 H ALA S 29 34.140 6.250 10.753 1.00 0.00 H new ATOM 0 HA ALA S 29 35.154 7.752 12.940 1.00 0.00 H new ATOM 0 HB1 ALA S 29 32.770 7.772 13.665 1.00 0.00 H new ATOM 0 HB2 ALA S 29 32.894 8.023 11.907 1.00 0.00 H new ATOM 0 HB3 ALA S 29 32.419 6.432 12.548 1.00 0.00 H new ATOM 2119 N TYR S 30 34.217 4.677 13.605 1.00 0.00 N ATOM 2120 CA TYR S 30 34.338 3.613 14.622 1.00 0.00 C ATOM 2121 C TYR S 30 35.757 3.555 15.153 1.00 0.00 C ATOM 2122 O TYR S 30 36.025 4.132 16.178 1.00 0.00 O ATOM 2123 CB TYR S 30 33.992 2.274 13.963 1.00 0.00 C ATOM 2124 CG TYR S 30 32.538 1.916 14.283 1.00 0.00 C ATOM 2125 CD1 TYR S 30 32.138 1.711 15.587 1.00 0.00 C ATOM 2126 CD2 TYR S 30 31.602 1.800 13.274 1.00 0.00 C ATOM 2127 CE1 TYR S 30 30.827 1.394 15.879 1.00 0.00 C ATOM 2128 CE2 TYR S 30 30.292 1.482 13.566 1.00 0.00 C ATOM 2129 CZ TYR S 30 29.894 1.278 14.870 1.00 0.00 C ATOM 2130 OH TYR S 30 28.583 0.966 15.163 1.00 0.00 O ATOM 0 H TYR S 30 33.758 4.405 12.736 1.00 0.00 H new ATOM 0 HA TYR S 30 33.661 3.820 15.451 1.00 0.00 H new ATOM 0 HB2 TYR S 30 34.134 2.339 12.884 1.00 0.00 H new ATOM 0 HB3 TYR S 30 34.660 1.493 14.326 1.00 0.00 H new ATOM 0 HD1 TYR S 30 32.858 1.799 16.387 1.00 0.00 H new ATOM 0 HD2 TYR S 30 31.898 1.960 12.248 1.00 0.00 H new ATOM 0 HE1 TYR S 30 30.530 1.236 16.905 1.00 0.00 H new ATOM 0 HE2 TYR S 30 29.572 1.392 12.766 1.00 0.00 H new ATOM 0 HH TYR S 30 28.063 0.926 14.333 1.00 0.00 H new ATOM 2140 N GLN S 31 36.628 2.923 14.389 1.00 0.00 N ATOM 2141 CA GLN S 31 38.071 2.770 14.773 1.00 0.00 C ATOM 2142 C GLN S 31 38.475 3.681 15.925 1.00 0.00 C ATOM 2143 O GLN S 31 38.787 3.226 17.005 1.00 0.00 O ATOM 2144 CB GLN S 31 38.918 3.135 13.547 1.00 0.00 C ATOM 2145 CG GLN S 31 40.395 2.892 13.861 1.00 0.00 C ATOM 2146 CD GLN S 31 41.140 4.227 13.836 1.00 0.00 C ATOM 2147 OE1 GLN S 31 41.503 4.769 14.862 1.00 0.00 O ATOM 2148 NE2 GLN S 31 41.387 4.792 12.686 1.00 0.00 N ATOM 0 H GLN S 31 36.389 2.498 13.493 1.00 0.00 H new ATOM 0 HA GLN S 31 38.229 1.742 15.100 1.00 0.00 H new ATOM 0 HB2 GLN S 31 38.614 2.535 12.689 1.00 0.00 H new ATOM 0 HB3 GLN S 31 38.759 4.179 13.279 1.00 0.00 H new ATOM 0 HG2 GLN S 31 40.499 2.422 14.839 1.00 0.00 H new ATOM 0 HG3 GLN S 31 40.827 2.207 13.131 1.00 0.00 H new ATOM 0 HE21 GLN S 31 41.085 4.342 11.822 1.00 0.00 H new ATOM 0 HE22 GLN S 31 41.882 5.683 12.651 1.00 0.00 H new ATOM 2157 N ASN S 32 38.452 4.946 15.666 1.00 0.00 N ATOM 2158 CA ASN S 32 38.825 5.919 16.714 1.00 0.00 C ATOM 2159 C ASN S 32 37.679 6.081 17.692 1.00 0.00 C ATOM 2160 O ASN S 32 37.487 7.143 18.252 1.00 0.00 O ATOM 2161 CB ASN S 32 39.085 7.255 16.048 1.00 0.00 C ATOM 2162 CG ASN S 32 40.491 7.249 15.438 1.00 0.00 C ATOM 2163 OD1 ASN S 32 41.481 7.237 16.141 1.00 0.00 O ATOM 2164 ND2 ASN S 32 40.625 7.252 14.140 1.00 0.00 N ATOM 0 H ASN S 32 38.189 5.353 14.768 1.00 0.00 H new ATOM 0 HA ASN S 32 39.710 5.570 17.246 1.00 0.00 H new ATOM 0 HB2 ASN S 32 38.340 7.440 15.274 1.00 0.00 H new ATOM 0 HB3 ASN S 32 38.995 8.061 16.776 1.00 0.00 H new ATOM 0 HD21 ASN S 32 41.556 7.244 13.723 1.00 0.00 H new ATOM 0 HD22 ASN S 32 39.799 7.262 13.542 1.00 0.00 H new ATOM 2171 N ASP S 33 36.992 4.998 17.927 1.00 0.00 N ATOM 2172 CA ASP S 33 35.836 5.021 18.857 1.00 0.00 C ATOM 2173 C ASP S 33 35.131 6.365 18.833 1.00 0.00 C ATOM 2174 O ASP S 33 34.524 6.779 19.802 1.00 0.00 O ATOM 2175 CB ASP S 33 36.413 4.830 20.239 1.00 0.00 C ATOM 2176 CG ASP S 33 35.599 3.784 21.003 1.00 0.00 C ATOM 2177 OD1 ASP S 33 34.437 4.069 21.239 1.00 0.00 O ATOM 2178 OD2 ASP S 33 36.185 2.758 21.307 1.00 0.00 O ATOM 0 H ASP S 33 37.187 4.089 17.508 1.00 0.00 H new ATOM 0 HA ASP S 33 35.116 4.253 18.575 1.00 0.00 H new ATOM 0 HB2 ASP S 33 37.453 4.513 20.168 1.00 0.00 H new ATOM 0 HB3 ASP S 33 36.405 5.776 20.780 1.00 0.00 H new ATOM 2183 N LEU S 34 35.217 7.018 17.711 1.00 0.00 N ATOM 2184 CA LEU S 34 34.567 8.334 17.594 1.00 0.00 C ATOM 2185 C LEU S 34 33.162 8.182 17.054 1.00 0.00 C ATOM 2186 O LEU S 34 32.552 9.133 16.610 1.00 0.00 O ATOM 2187 CB LEU S 34 35.399 9.187 16.644 1.00 0.00 C ATOM 2188 CG LEU S 34 36.007 10.342 17.443 1.00 0.00 C ATOM 2189 CD1 LEU S 34 37.015 11.097 16.566 1.00 0.00 C ATOM 2190 CD2 LEU S 34 34.884 11.281 17.908 1.00 0.00 C ATOM 0 H LEU S 34 35.708 6.694 16.878 1.00 0.00 H new ATOM 0 HA LEU S 34 34.503 8.807 18.574 1.00 0.00 H new ATOM 0 HB2 LEU S 34 36.185 8.587 16.185 1.00 0.00 H new ATOM 0 HB3 LEU S 34 34.777 9.571 15.835 1.00 0.00 H new ATOM 0 HG LEU S 34 36.529 9.956 18.319 1.00 0.00 H new ATOM 0 HD11 LEU S 34 37.448 11.920 17.135 1.00 0.00 H new ATOM 0 HD12 LEU S 34 37.807 10.416 16.253 1.00 0.00 H new ATOM 0 HD13 LEU S 34 36.507 11.492 15.686 1.00 0.00 H new ATOM 0 HD21 LEU S 34 35.312 12.106 18.478 1.00 0.00 H new ATOM 0 HD22 LEU S 34 34.356 11.675 17.039 1.00 0.00 H new ATOM 0 HD23 LEU S 34 34.186 10.729 18.537 1.00 0.00 H new ATOM 2202 N HIS S 35 32.682 6.973 17.073 1.00 0.00 N ATOM 2203 CA HIS S 35 31.307 6.748 16.560 1.00 0.00 C ATOM 2204 C HIS S 35 30.261 7.183 17.582 1.00 0.00 C ATOM 2205 O HIS S 35 29.135 7.444 17.222 1.00 0.00 O ATOM 2206 CB HIS S 35 31.104 5.257 16.293 1.00 0.00 C ATOM 2207 CG HIS S 35 31.447 4.469 17.559 1.00 0.00 C ATOM 2208 ND1 HIS S 35 32.589 3.989 17.841 1.00 0.00 N ATOM 2209 CD2 HIS S 35 30.643 4.132 18.633 1.00 0.00 C ATOM 2210 CE1 HIS S 35 32.559 3.395 18.976 1.00 0.00 C ATOM 2211 NE2 HIS S 35 31.361 3.445 19.537 1.00 0.00 N ATOM 0 H HIS S 35 33.171 6.146 17.415 1.00 0.00 H new ATOM 0 HA HIS S 35 31.190 7.333 15.648 1.00 0.00 H new ATOM 0 HB2 HIS S 35 30.072 5.065 15.999 1.00 0.00 H new ATOM 0 HB3 HIS S 35 31.737 4.934 15.466 1.00 0.00 H new ATOM 0 HD2 HIS S 35 29.597 4.383 18.730 1.00 0.00 H new ATOM 0 HE1 HIS S 35 33.413 2.909 19.424 1.00 0.00 H new ATOM 0 HE2 HIS S 35 31.059 3.059 20.431 1.00 0.00 H new ATOM 2219 N LEU S 36 30.649 7.257 18.836 1.00 0.00 N ATOM 2220 CA LEU S 36 29.668 7.674 19.886 1.00 0.00 C ATOM 2221 C LEU S 36 28.690 8.735 19.354 1.00 0.00 C ATOM 2222 O LEU S 36 27.498 8.497 19.335 1.00 0.00 O ATOM 2223 CB LEU S 36 30.423 8.196 21.131 1.00 0.00 C ATOM 2224 CG LEU S 36 30.409 7.155 22.268 1.00 0.00 C ATOM 2225 CD1 LEU S 36 29.017 7.116 22.923 1.00 0.00 C ATOM 2226 CD2 LEU S 36 30.787 5.769 21.723 1.00 0.00 C ATOM 0 H LEU S 36 31.589 7.049 19.172 1.00 0.00 H new ATOM 0 HA LEU S 36 29.077 6.803 20.169 1.00 0.00 H new ATOM 0 HB2 LEU S 36 31.453 8.432 20.863 1.00 0.00 H new ATOM 0 HB3 LEU S 36 29.964 9.122 21.476 1.00 0.00 H new ATOM 0 HG LEU S 36 31.143 7.440 23.022 1.00 0.00 H new ATOM 0 HD11 LEU S 36 29.013 6.379 23.726 1.00 0.00 H new ATOM 0 HD12 LEU S 36 28.779 8.098 23.331 1.00 0.00 H new ATOM 0 HD13 LEU S 36 28.271 6.843 22.176 1.00 0.00 H new ATOM 0 HD21 LEU S 36 30.774 5.043 22.535 1.00 0.00 H new ATOM 0 HD22 LEU S 36 30.070 5.471 20.958 1.00 0.00 H new ATOM 0 HD23 LEU S 36 31.786 5.809 21.288 1.00 0.00 H new ATOM 2238 N PRO S 37 29.178 9.888 18.928 1.00 0.00 N ATOM 2239 CA PRO S 37 28.280 10.926 18.406 1.00 0.00 C ATOM 2240 C PRO S 37 27.495 10.394 17.205 1.00 0.00 C ATOM 2241 O PRO S 37 26.307 10.160 17.307 1.00 0.00 O ATOM 2242 CB PRO S 37 29.204 12.061 17.954 1.00 0.00 C ATOM 2243 CG PRO S 37 30.663 11.598 18.184 1.00 0.00 C ATOM 2244 CD PRO S 37 30.607 10.267 18.942 1.00 0.00 C ATOM 0 HA PRO S 37 27.556 11.250 19.154 1.00 0.00 H new ATOM 0 HB2 PRO S 37 29.038 12.294 16.902 1.00 0.00 H new ATOM 0 HB3 PRO S 37 28.998 12.970 18.518 1.00 0.00 H new ATOM 0 HG2 PRO S 37 31.182 11.477 17.233 1.00 0.00 H new ATOM 0 HG3 PRO S 37 31.216 12.343 18.756 1.00 0.00 H new ATOM 0 HD2 PRO S 37 31.223 9.509 18.458 1.00 0.00 H new ATOM 0 HD3 PRO S 37 30.978 10.376 19.961 1.00 0.00 H new ATOM 2252 N LEU S 38 28.175 10.229 16.085 1.00 0.00 N ATOM 2253 CA LEU S 38 27.487 9.712 14.874 1.00 0.00 C ATOM 2254 C LEU S 38 26.497 8.637 15.261 1.00 0.00 C ATOM 2255 O LEU S 38 25.314 8.768 15.049 1.00 0.00 O ATOM 2256 CB LEU S 38 28.538 9.084 13.956 1.00 0.00 C ATOM 2257 CG LEU S 38 28.390 9.684 12.568 1.00 0.00 C ATOM 2258 CD1 LEU S 38 29.403 9.035 11.628 1.00 0.00 C ATOM 2259 CD2 LEU S 38 26.977 9.410 12.046 1.00 0.00 C ATOM 0 H LEU S 38 29.168 10.432 15.969 1.00 0.00 H new ATOM 0 HA LEU S 38 26.964 10.529 14.376 1.00 0.00 H new ATOM 0 HB2 LEU S 38 29.539 9.271 14.344 1.00 0.00 H new ATOM 0 HB3 LEU S 38 28.408 8.002 13.916 1.00 0.00 H new ATOM 0 HG LEU S 38 28.564 10.759 12.614 1.00 0.00 H new ATOM 0 HD11 LEU S 38 29.300 9.463 10.631 1.00 0.00 H new ATOM 0 HD12 LEU S 38 30.412 9.217 11.999 1.00 0.00 H new ATOM 0 HD13 LEU S 38 29.221 7.961 11.583 1.00 0.00 H new ATOM 0 HD21 LEU S 38 26.867 9.839 11.050 1.00 0.00 H new ATOM 0 HD22 LEU S 38 26.809 8.334 11.998 1.00 0.00 H new ATOM 0 HD23 LEU S 38 26.247 9.861 12.718 1.00 0.00 H new ATOM 2271 N LEU S 39 27.018 7.584 15.811 1.00 0.00 N ATOM 2272 CA LEU S 39 26.117 6.471 16.231 1.00 0.00 C ATOM 2273 C LEU S 39 24.878 7.057 16.924 1.00 0.00 C ATOM 2274 O LEU S 39 23.786 7.016 16.392 1.00 0.00 O ATOM 2275 CB LEU S 39 26.887 5.580 17.226 1.00 0.00 C ATOM 2276 CG LEU S 39 26.263 4.172 17.320 1.00 0.00 C ATOM 2277 CD1 LEU S 39 24.748 4.263 17.568 1.00 0.00 C ATOM 2278 CD2 LEU S 39 26.529 3.372 16.039 1.00 0.00 C ATOM 0 H LEU S 39 28.012 7.441 15.989 1.00 0.00 H new ATOM 0 HA LEU S 39 25.802 5.888 15.366 1.00 0.00 H new ATOM 0 HB2 LEU S 39 27.928 5.498 16.913 1.00 0.00 H new ATOM 0 HB3 LEU S 39 26.886 6.047 18.211 1.00 0.00 H new ATOM 0 HG LEU S 39 26.729 3.657 18.160 1.00 0.00 H new ATOM 0 HD11 LEU S 39 24.329 3.259 17.631 1.00 0.00 H new ATOM 0 HD12 LEU S 39 24.563 4.792 18.503 1.00 0.00 H new ATOM 0 HD13 LEU S 39 24.277 4.802 16.746 1.00 0.00 H new ATOM 0 HD21 LEU S 39 26.080 2.383 16.128 1.00 0.00 H new ATOM 0 HD22 LEU S 39 26.092 3.893 15.187 1.00 0.00 H new ATOM 0 HD23 LEU S 39 27.604 3.270 15.890 1.00 0.00 H new ATOM 2290 N ASN S 40 25.079 7.589 18.099 1.00 0.00 N ATOM 2291 CA ASN S 40 23.942 8.187 18.855 1.00 0.00 C ATOM 2292 C ASN S 40 23.119 9.172 18.009 1.00 0.00 C ATOM 2293 O ASN S 40 21.993 9.480 18.349 1.00 0.00 O ATOM 2294 CB ASN S 40 24.523 8.951 20.052 1.00 0.00 C ATOM 2295 CG ASN S 40 23.381 9.584 20.849 1.00 0.00 C ATOM 2296 OD1 ASN S 40 23.028 10.729 20.645 1.00 0.00 O ATOM 2297 ND2 ASN S 40 22.779 8.875 21.764 1.00 0.00 N ATOM 0 H ASN S 40 25.983 7.635 18.569 1.00 0.00 H new ATOM 0 HA ASN S 40 23.277 7.378 19.159 1.00 0.00 H new ATOM 0 HB2 ASN S 40 25.094 8.274 20.688 1.00 0.00 H new ATOM 0 HB3 ASN S 40 25.212 9.722 19.707 1.00 0.00 H new ATOM 0 HD21 ASN S 40 22.016 9.282 22.304 1.00 0.00 H new ATOM 0 HD22 ASN S 40 23.072 7.914 21.939 1.00 0.00 H new ATOM 2304 N LEU S 41 23.679 9.642 16.925 1.00 0.00 N ATOM 2305 CA LEU S 41 22.921 10.605 16.068 1.00 0.00 C ATOM 2306 C LEU S 41 21.563 10.058 15.625 1.00 0.00 C ATOM 2307 O LEU S 41 20.530 10.525 16.061 1.00 0.00 O ATOM 2308 CB LEU S 41 23.747 10.897 14.802 1.00 0.00 C ATOM 2309 CG LEU S 41 23.199 12.144 14.092 1.00 0.00 C ATOM 2310 CD1 LEU S 41 23.404 13.384 14.973 1.00 0.00 C ATOM 2311 CD2 LEU S 41 23.949 12.329 12.773 1.00 0.00 C ATOM 0 H LEU S 41 24.616 9.406 16.598 1.00 0.00 H new ATOM 0 HA LEU S 41 22.749 11.502 16.663 1.00 0.00 H new ATOM 0 HB2 LEU S 41 24.793 11.050 15.068 1.00 0.00 H new ATOM 0 HB3 LEU S 41 23.711 10.040 14.129 1.00 0.00 H new ATOM 0 HG LEU S 41 22.133 12.017 13.904 1.00 0.00 H new ATOM 0 HD11 LEU S 41 23.012 14.263 14.461 1.00 0.00 H new ATOM 0 HD12 LEU S 41 22.878 13.250 15.918 1.00 0.00 H new ATOM 0 HD13 LEU S 41 24.468 13.521 15.167 1.00 0.00 H new ATOM 0 HD21 LEU S 41 23.569 13.212 12.259 1.00 0.00 H new ATOM 0 HD22 LEU S 41 25.013 12.456 12.974 1.00 0.00 H new ATOM 0 HD23 LEU S 41 23.801 11.451 12.144 1.00 0.00 H new ATOM 2323 N MET S 42 21.595 9.074 14.766 1.00 0.00 N ATOM 2324 CA MET S 42 20.319 8.484 14.275 1.00 0.00 C ATOM 2325 C MET S 42 19.895 7.244 15.069 1.00 0.00 C ATOM 2326 O MET S 42 19.525 6.237 14.496 1.00 0.00 O ATOM 2327 CB MET S 42 20.545 8.087 12.809 1.00 0.00 C ATOM 2328 CG MET S 42 19.269 8.344 12.005 1.00 0.00 C ATOM 2329 SD MET S 42 17.754 7.522 12.555 1.00 0.00 S ATOM 2330 CE MET S 42 16.610 8.854 12.118 1.00 0.00 C ATOM 0 H MET S 42 22.445 8.656 14.386 1.00 0.00 H new ATOM 0 HA MET S 42 19.523 9.219 14.392 1.00 0.00 H new ATOM 0 HB2 MET S 42 21.372 8.660 12.390 1.00 0.00 H new ATOM 0 HB3 MET S 42 20.821 7.035 12.745 1.00 0.00 H new ATOM 0 HG2 MET S 42 19.086 9.418 12.000 1.00 0.00 H new ATOM 0 HG3 MET S 42 19.457 8.048 10.973 1.00 0.00 H new ATOM 0 HE1 MET S 42 15.593 8.559 12.375 1.00 0.00 H new ATOM 0 HE2 MET S 42 16.876 9.757 12.668 1.00 0.00 H new ATOM 0 HE3 MET S 42 16.671 9.050 11.047 1.00 0.00 H new ATOM 2340 N LEU S 43 19.938 7.333 16.371 1.00 0.00 N ATOM 2341 CA LEU S 43 19.534 6.158 17.183 1.00 0.00 C ATOM 2342 C LEU S 43 18.077 5.793 16.909 1.00 0.00 C ATOM 2343 O LEU S 43 17.795 4.810 16.262 1.00 0.00 O ATOM 2344 CB LEU S 43 19.680 6.522 18.664 1.00 0.00 C ATOM 2345 CG LEU S 43 20.805 5.682 19.275 1.00 0.00 C ATOM 2346 CD1 LEU S 43 21.045 6.135 20.718 1.00 0.00 C ATOM 2347 CD2 LEU S 43 20.414 4.199 19.268 1.00 0.00 C ATOM 0 H LEU S 43 20.231 8.156 16.898 1.00 0.00 H new ATOM 0 HA LEU S 43 20.165 5.308 16.925 1.00 0.00 H new ATOM 0 HB2 LEU S 43 19.902 7.584 18.771 1.00 0.00 H new ATOM 0 HB3 LEU S 43 18.744 6.338 19.191 1.00 0.00 H new ATOM 0 HG LEU S 43 21.713 5.816 18.688 1.00 0.00 H new ATOM 0 HD11 LEU S 43 21.845 5.540 21.158 1.00 0.00 H new ATOM 0 HD12 LEU S 43 21.329 7.187 20.727 1.00 0.00 H new ATOM 0 HD13 LEU S 43 20.132 6.001 21.298 1.00 0.00 H new ATOM 0 HD21 LEU S 43 21.220 3.608 19.704 1.00 0.00 H new ATOM 0 HD22 LEU S 43 19.504 4.060 19.852 1.00 0.00 H new ATOM 0 HD23 LEU S 43 20.240 3.873 18.242 1.00 0.00 H new ATOM 2359 N THR S 44 17.179 6.614 17.389 1.00 0.00 N ATOM 2360 CA THR S 44 15.728 6.343 17.174 1.00 0.00 C ATOM 2361 C THR S 44 15.278 5.163 18.066 1.00 0.00 C ATOM 2362 O THR S 44 15.988 4.182 18.169 1.00 0.00 O ATOM 2363 CB THR S 44 15.525 5.960 15.693 1.00 0.00 C ATOM 2364 OG1 THR S 44 16.577 6.596 14.986 1.00 0.00 O ATOM 2365 CG2 THR S 44 14.255 6.588 15.099 1.00 0.00 C ATOM 0 H THR S 44 17.388 7.459 17.920 1.00 0.00 H new ATOM 0 HA THR S 44 15.142 7.226 17.428 1.00 0.00 H new ATOM 0 HB THR S 44 15.479 4.873 15.620 1.00 0.00 H new ATOM 0 HG1 THR S 44 16.359 6.625 14.031 1.00 0.00 H new ATOM 0 HG21 THR S 44 14.155 6.290 14.055 1.00 0.00 H new ATOM 0 HG22 THR S 44 13.384 6.247 15.659 1.00 0.00 H new ATOM 0 HG23 THR S 44 14.323 7.674 15.161 1.00 0.00 H new ATOM 2373 N PRO S 45 14.116 5.257 18.703 1.00 0.00 N ATOM 2374 CA PRO S 45 13.636 4.161 19.568 1.00 0.00 C ATOM 2375 C PRO S 45 13.625 2.821 18.841 1.00 0.00 C ATOM 2376 O PRO S 45 14.295 1.891 19.248 1.00 0.00 O ATOM 2377 CB PRO S 45 12.198 4.556 19.946 1.00 0.00 C ATOM 2378 CG PRO S 45 11.930 5.969 19.376 1.00 0.00 C ATOM 2379 CD PRO S 45 13.191 6.413 18.623 1.00 0.00 C ATOM 0 HA PRO S 45 14.288 4.034 20.432 1.00 0.00 H new ATOM 0 HB2 PRO S 45 11.485 3.839 19.539 1.00 0.00 H new ATOM 0 HB3 PRO S 45 12.073 4.551 21.029 1.00 0.00 H new ATOM 0 HG2 PRO S 45 11.070 5.955 18.707 1.00 0.00 H new ATOM 0 HG3 PRO S 45 11.698 6.668 20.179 1.00 0.00 H new ATOM 0 HD2 PRO S 45 12.963 6.665 17.587 1.00 0.00 H new ATOM 0 HD3 PRO S 45 13.630 7.301 19.078 1.00 0.00 H new ATOM 2387 N ASP S 46 12.856 2.745 17.786 1.00 0.00 N ATOM 2388 CA ASP S 46 12.780 1.473 17.010 1.00 0.00 C ATOM 2389 C ASP S 46 14.144 0.796 16.923 1.00 0.00 C ATOM 2390 O ASP S 46 14.269 -0.388 17.162 1.00 0.00 O ATOM 2391 CB ASP S 46 12.307 1.809 15.592 1.00 0.00 C ATOM 2392 CG ASP S 46 11.854 0.526 14.891 1.00 0.00 C ATOM 2393 OD1 ASP S 46 12.090 -0.519 15.471 1.00 0.00 O ATOM 2394 OD2 ASP S 46 11.300 0.666 13.814 1.00 0.00 O ATOM 0 H ASP S 46 12.279 3.507 17.429 1.00 0.00 H new ATOM 0 HA ASP S 46 12.091 0.793 17.511 1.00 0.00 H new ATOM 0 HB2 ASP S 46 11.486 2.525 15.631 1.00 0.00 H new ATOM 0 HB3 ASP S 46 13.114 2.279 15.029 1.00 0.00 H new ATOM 2399 N GLU S 47 15.143 1.564 16.582 1.00 0.00 N ATOM 2400 CA GLU S 47 16.510 0.984 16.474 1.00 0.00 C ATOM 2401 C GLU S 47 17.027 0.568 17.847 1.00 0.00 C ATOM 2402 O GLU S 47 17.666 -0.452 17.993 1.00 0.00 O ATOM 2403 CB GLU S 47 17.449 2.062 15.926 1.00 0.00 C ATOM 2404 CG GLU S 47 18.512 1.409 15.043 1.00 0.00 C ATOM 2405 CD GLU S 47 17.963 1.244 13.624 1.00 0.00 C ATOM 2406 OE1 GLU S 47 17.690 2.271 13.026 1.00 0.00 O ATOM 2407 OE2 GLU S 47 17.853 0.098 13.218 1.00 0.00 O ATOM 0 H GLU S 47 15.072 2.560 16.375 1.00 0.00 H new ATOM 0 HA GLU S 47 16.474 0.112 15.821 1.00 0.00 H new ATOM 0 HB2 GLU S 47 16.883 2.795 15.351 1.00 0.00 H new ATOM 0 HB3 GLU S 47 17.923 2.599 16.748 1.00 0.00 H new ATOM 0 HG2 GLU S 47 19.414 2.021 15.027 1.00 0.00 H new ATOM 0 HG3 GLU S 47 18.793 0.438 15.451 1.00 0.00 H new ATOM 2414 N ARG S 48 16.749 1.383 18.827 1.00 0.00 N ATOM 2415 CA ARG S 48 17.212 1.063 20.201 1.00 0.00 C ATOM 2416 C ARG S 48 16.839 -0.364 20.600 1.00 0.00 C ATOM 2417 O ARG S 48 17.659 -1.100 21.111 1.00 0.00 O ATOM 2418 CB ARG S 48 16.544 2.037 21.174 1.00 0.00 C ATOM 2419 CG ARG S 48 17.241 1.933 22.530 1.00 0.00 C ATOM 2420 CD ARG S 48 16.590 2.911 23.509 1.00 0.00 C ATOM 2421 NE ARG S 48 17.197 2.712 24.857 1.00 0.00 N ATOM 2422 CZ ARG S 48 16.665 3.300 25.892 1.00 0.00 C ATOM 2423 NH1 ARG S 48 16.411 4.579 25.830 1.00 0.00 N ATOM 2424 NH2 ARG S 48 16.403 2.588 26.956 1.00 0.00 N ATOM 0 H ARG S 48 16.223 2.252 18.734 1.00 0.00 H new ATOM 0 HA ARG S 48 18.298 1.153 20.232 1.00 0.00 H new ATOM 0 HB2 ARG S 48 16.610 3.056 20.793 1.00 0.00 H new ATOM 0 HB3 ARG S 48 15.484 1.802 21.275 1.00 0.00 H new ATOM 0 HG2 ARG S 48 17.168 0.915 22.912 1.00 0.00 H new ATOM 0 HG3 ARG S 48 18.302 2.158 22.425 1.00 0.00 H new ATOM 0 HD2 ARG S 48 16.741 3.937 23.174 1.00 0.00 H new ATOM 0 HD3 ARG S 48 15.514 2.744 23.551 1.00 0.00 H new ATOM 0 HE ARG S 48 18.021 2.121 24.968 1.00 0.00 H new ATOM 0 HH11 ARG S 48 16.629 5.102 24.982 1.00 0.00 H new ATOM 0 HH12 ARG S 48 15.995 5.056 26.630 1.00 0.00 H new ATOM 0 HH21 ARG S 48 16.615 1.590 26.967 1.00 0.00 H new ATOM 0 HH22 ARG S 48 15.987 3.030 27.776 1.00 0.00 H new ATOM 2438 N GLU S 49 15.609 -0.728 20.373 1.00 0.00 N ATOM 2439 CA GLU S 49 15.181 -2.105 20.738 1.00 0.00 C ATOM 2440 C GLU S 49 15.693 -3.120 19.720 1.00 0.00 C ATOM 2441 O GLU S 49 15.262 -4.257 19.707 1.00 0.00 O ATOM 2442 CB GLU S 49 13.648 -2.149 20.751 1.00 0.00 C ATOM 2443 CG GLU S 49 13.160 -2.117 22.202 1.00 0.00 C ATOM 2444 CD GLU S 49 11.656 -1.836 22.226 1.00 0.00 C ATOM 2445 OE1 GLU S 49 10.928 -2.753 21.882 1.00 0.00 O ATOM 2446 OE2 GLU S 49 11.320 -0.720 22.588 1.00 0.00 O ATOM 0 H GLU S 49 14.889 -0.139 19.955 1.00 0.00 H new ATOM 0 HA GLU S 49 15.589 -2.356 21.717 1.00 0.00 H new ATOM 0 HB2 GLU S 49 13.242 -1.301 20.199 1.00 0.00 H new ATOM 0 HB3 GLU S 49 13.293 -3.052 20.254 1.00 0.00 H new ATOM 0 HG2 GLU S 49 13.371 -3.069 22.689 1.00 0.00 H new ATOM 0 HG3 GLU S 49 13.694 -1.348 22.760 1.00 0.00 H new ATOM 2453 N ALA S 50 16.609 -2.686 18.893 1.00 0.00 N ATOM 2454 CA ALA S 50 17.169 -3.601 17.860 1.00 0.00 C ATOM 2455 C ALA S 50 18.612 -3.994 18.167 1.00 0.00 C ATOM 2456 O ALA S 50 18.979 -5.141 18.025 1.00 0.00 O ATOM 2457 CB ALA S 50 17.142 -2.875 16.509 1.00 0.00 C ATOM 0 H ALA S 50 16.991 -1.740 18.890 1.00 0.00 H new ATOM 0 HA ALA S 50 16.566 -4.509 17.845 1.00 0.00 H new ATOM 0 HB1 ALA S 50 17.548 -3.528 15.737 1.00 0.00 H new ATOM 0 HB2 ALA S 50 16.114 -2.612 16.258 1.00 0.00 H new ATOM 0 HB3 ALA S 50 17.744 -1.968 16.571 1.00 0.00 H new ATOM 2463 N LEU S 51 19.413 -3.048 18.579 1.00 0.00 N ATOM 2464 CA LEU S 51 20.826 -3.402 18.884 1.00 0.00 C ATOM 2465 C LEU S 51 20.902 -4.656 19.754 1.00 0.00 C ATOM 2466 O LEU S 51 21.559 -5.611 19.398 1.00 0.00 O ATOM 2467 CB LEU S 51 21.517 -2.230 19.607 1.00 0.00 C ATOM 2468 CG LEU S 51 20.746 -1.854 20.883 1.00 0.00 C ATOM 2469 CD1 LEU S 51 21.352 -2.549 22.116 1.00 0.00 C ATOM 2470 CD2 LEU S 51 20.824 -0.338 21.088 1.00 0.00 C ATOM 0 H LEU S 51 19.158 -2.070 18.715 1.00 0.00 H new ATOM 0 HA LEU S 51 21.336 -3.603 17.942 1.00 0.00 H new ATOM 0 HB2 LEU S 51 22.541 -2.505 19.861 1.00 0.00 H new ATOM 0 HB3 LEU S 51 21.574 -1.368 18.942 1.00 0.00 H new ATOM 0 HG LEU S 51 19.711 -2.175 20.768 1.00 0.00 H new ATOM 0 HD11 LEU S 51 20.789 -2.267 23.006 1.00 0.00 H new ATOM 0 HD12 LEU S 51 21.305 -3.630 21.984 1.00 0.00 H new ATOM 0 HD13 LEU S 51 22.392 -2.243 22.232 1.00 0.00 H new ATOM 0 HD21 LEU S 51 20.279 -0.065 21.992 1.00 0.00 H new ATOM 0 HD22 LEU S 51 21.867 -0.038 21.188 1.00 0.00 H new ATOM 0 HD23 LEU S 51 20.382 0.168 20.230 1.00 0.00 H new ATOM 2482 N GLY S 52 20.217 -4.644 20.864 1.00 0.00 N ATOM 2483 CA GLY S 52 20.258 -5.840 21.749 1.00 0.00 C ATOM 2484 C GLY S 52 19.756 -7.071 20.987 1.00 0.00 C ATOM 2485 O GLY S 52 20.371 -8.121 21.009 1.00 0.00 O ATOM 0 H GLY S 52 19.639 -3.870 21.192 1.00 0.00 H new ATOM 0 HA2 GLY S 52 21.276 -6.009 22.100 1.00 0.00 H new ATOM 0 HA3 GLY S 52 19.641 -5.671 22.632 1.00 0.00 H new ATOM 2489 N THR S 53 18.645 -6.916 20.324 1.00 0.00 N ATOM 2490 CA THR S 53 18.097 -8.063 19.562 1.00 0.00 C ATOM 2491 C THR S 53 19.062 -8.445 18.441 1.00 0.00 C ATOM 2492 O THR S 53 18.889 -9.446 17.776 1.00 0.00 O ATOM 2493 CB THR S 53 16.754 -7.647 18.957 1.00 0.00 C ATOM 2494 OG1 THR S 53 15.935 -7.308 20.063 1.00 0.00 O ATOM 2495 CG2 THR S 53 16.048 -8.844 18.308 1.00 0.00 C ATOM 0 H THR S 53 18.101 -6.055 20.278 1.00 0.00 H new ATOM 0 HA THR S 53 17.964 -8.919 20.224 1.00 0.00 H new ATOM 0 HB THR S 53 16.910 -6.855 18.224 1.00 0.00 H new ATOM 0 HG1 THR S 53 15.690 -6.360 20.011 1.00 0.00 H new ATOM 0 HG21 THR S 53 15.096 -8.520 17.886 1.00 0.00 H new ATOM 0 HG22 THR S 53 16.676 -9.251 17.516 1.00 0.00 H new ATOM 0 HG23 THR S 53 15.869 -9.612 19.060 1.00 0.00 H new ATOM 2503 N ARG S 54 20.065 -7.624 18.258 1.00 0.00 N ATOM 2504 CA ARG S 54 21.066 -7.900 17.193 1.00 0.00 C ATOM 2505 C ARG S 54 22.216 -8.736 17.753 1.00 0.00 C ATOM 2506 O ARG S 54 22.410 -9.870 17.360 1.00 0.00 O ATOM 2507 CB ARG S 54 21.618 -6.557 16.689 1.00 0.00 C ATOM 2508 CG ARG S 54 22.048 -6.707 15.229 1.00 0.00 C ATOM 2509 CD ARG S 54 20.843 -6.445 14.323 1.00 0.00 C ATOM 2510 NE ARG S 54 20.631 -4.975 14.210 1.00 0.00 N ATOM 2511 CZ ARG S 54 20.165 -4.485 13.095 1.00 0.00 C ATOM 2512 NH1 ARG S 54 18.873 -4.377 12.943 1.00 0.00 N ATOM 2513 NH2 ARG S 54 21.003 -4.122 12.168 1.00 0.00 N ATOM 0 H ARG S 54 20.231 -6.777 18.801 1.00 0.00 H new ATOM 0 HA ARG S 54 20.593 -8.452 16.380 1.00 0.00 H new ATOM 0 HB2 ARG S 54 20.858 -5.781 16.779 1.00 0.00 H new ATOM 0 HB3 ARG S 54 22.465 -6.246 17.300 1.00 0.00 H new ATOM 0 HG2 ARG S 54 22.851 -6.006 14.999 1.00 0.00 H new ATOM 0 HG3 ARG S 54 22.440 -7.709 15.053 1.00 0.00 H new ATOM 0 HD2 ARG S 54 21.012 -6.878 13.337 1.00 0.00 H new ATOM 0 HD3 ARG S 54 19.953 -6.923 14.732 1.00 0.00 H new ATOM 0 HE ARG S 54 20.847 -4.360 14.994 1.00 0.00 H new ATOM 0 HH11 ARG S 54 18.245 -4.674 13.690 1.00 0.00 H new ATOM 0 HH12 ARG S 54 18.491 -3.996 12.077 1.00 0.00 H new ATOM 0 HH21 ARG S 54 22.007 -4.223 12.320 1.00 0.00 H new ATOM 0 HH22 ARG S 54 20.656 -3.737 11.290 1.00 0.00 H new ATOM 2527 N VAL S 55 22.963 -8.161 18.659 1.00 0.00 N ATOM 2528 CA VAL S 55 24.096 -8.918 19.248 1.00 0.00 C ATOM 2529 C VAL S 55 23.615 -10.310 19.658 1.00 0.00 C ATOM 2530 O VAL S 55 24.392 -11.238 19.768 1.00 0.00 O ATOM 2531 CB VAL S 55 24.620 -8.147 20.486 1.00 0.00 C ATOM 2532 CG1 VAL S 55 23.602 -7.085 20.902 1.00 0.00 C ATOM 2533 CG2 VAL S 55 24.854 -9.093 21.672 1.00 0.00 C ATOM 0 H VAL S 55 22.837 -7.212 19.010 1.00 0.00 H new ATOM 0 HA VAL S 55 24.900 -9.023 18.520 1.00 0.00 H new ATOM 0 HB VAL S 55 25.567 -7.681 20.213 1.00 0.00 H new ATOM 0 HG11 VAL S 55 23.974 -6.545 21.773 1.00 0.00 H new ATOM 0 HG12 VAL S 55 23.449 -6.386 20.080 1.00 0.00 H new ATOM 0 HG13 VAL S 55 22.656 -7.566 21.150 1.00 0.00 H new ATOM 0 HG21 VAL S 55 25.221 -8.523 22.525 1.00 0.00 H new ATOM 0 HG22 VAL S 55 23.917 -9.581 21.938 1.00 0.00 H new ATOM 0 HG23 VAL S 55 25.590 -9.848 21.396 1.00 0.00 H new ATOM 2543 N ARG S 56 22.330 -10.422 19.879 1.00 0.00 N ATOM 2544 CA ARG S 56 21.767 -11.736 20.284 1.00 0.00 C ATOM 2545 C ARG S 56 21.980 -12.800 19.205 1.00 0.00 C ATOM 2546 O ARG S 56 22.664 -13.777 19.431 1.00 0.00 O ATOM 2547 CB ARG S 56 20.257 -11.568 20.518 1.00 0.00 C ATOM 2548 CG ARG S 56 19.909 -12.016 21.941 1.00 0.00 C ATOM 2549 CD ARG S 56 18.389 -11.955 22.138 1.00 0.00 C ATOM 2550 NE ARG S 56 17.891 -13.294 22.572 1.00 0.00 N ATOM 2551 CZ ARG S 56 16.736 -13.724 22.134 1.00 0.00 C ATOM 2552 NH1 ARG S 56 16.468 -13.619 20.861 1.00 0.00 N ATOM 2553 NH2 ARG S 56 15.891 -14.251 22.981 1.00 0.00 N ATOM 0 H ARG S 56 21.654 -9.663 19.796 1.00 0.00 H new ATOM 0 HA ARG S 56 22.277 -12.064 21.190 1.00 0.00 H new ATOM 0 HB2 ARG S 56 19.969 -10.527 20.372 1.00 0.00 H new ATOM 0 HB3 ARG S 56 19.698 -12.158 19.792 1.00 0.00 H new ATOM 0 HG2 ARG S 56 20.268 -13.031 22.113 1.00 0.00 H new ATOM 0 HG3 ARG S 56 20.407 -11.374 22.668 1.00 0.00 H new ATOM 0 HD2 ARG S 56 18.138 -11.202 22.885 1.00 0.00 H new ATOM 0 HD3 ARG S 56 17.902 -11.657 21.209 1.00 0.00 H new ATOM 0 HE ARG S 56 18.447 -13.869 23.205 1.00 0.00 H new ATOM 0 HH11 ARG S 56 17.154 -13.208 20.228 1.00 0.00 H new ATOM 0 HH12 ARG S 56 15.573 -13.948 20.499 1.00 0.00 H new ATOM 0 HH21 ARG S 56 16.136 -14.322 23.968 1.00 0.00 H new ATOM 0 HH22 ARG S 56 14.986 -14.591 22.654 1.00 0.00 H new ATOM 2567 N ILE S 57 21.402 -12.588 18.049 1.00 0.00 N ATOM 2568 CA ILE S 57 21.564 -13.582 16.957 1.00 0.00 C ATOM 2569 C ILE S 57 23.009 -14.087 16.857 1.00 0.00 C ATOM 2570 O ILE S 57 23.241 -15.274 16.871 1.00 0.00 O ATOM 2571 CB ILE S 57 21.110 -12.931 15.644 1.00 0.00 C ATOM 2572 CG1 ILE S 57 22.248 -12.222 14.919 1.00 0.00 C ATOM 2573 CG2 ILE S 57 20.035 -11.885 15.967 1.00 0.00 C ATOM 2574 CD1 ILE S 57 21.659 -11.509 13.707 1.00 0.00 C ATOM 0 H ILE S 57 20.830 -11.775 17.820 1.00 0.00 H new ATOM 0 HA ILE S 57 20.949 -14.457 17.170 1.00 0.00 H new ATOM 0 HB ILE S 57 20.735 -13.723 14.996 1.00 0.00 H new ATOM 0 HG12 ILE S 57 22.736 -11.508 15.582 1.00 0.00 H new ATOM 0 HG13 ILE S 57 23.008 -12.939 14.608 1.00 0.00 H new ATOM 0 HG21 ILE S 57 19.700 -11.411 15.044 1.00 0.00 H new ATOM 0 HG22 ILE S 57 19.189 -12.371 16.454 1.00 0.00 H new ATOM 0 HG23 ILE S 57 20.451 -11.129 16.633 1.00 0.00 H new ATOM 0 HD11 ILE S 57 22.453 -10.992 13.168 1.00 0.00 H new ATOM 0 HD12 ILE S 57 21.189 -12.239 13.048 1.00 0.00 H new ATOM 0 HD13 ILE S 57 20.914 -10.786 14.037 1.00 0.00 H new ATOM 2586 N VAL S 58 23.953 -13.190 16.756 1.00 0.00 N ATOM 2587 CA VAL S 58 25.371 -13.636 16.657 1.00 0.00 C ATOM 2588 C VAL S 58 25.753 -14.530 17.843 1.00 0.00 C ATOM 2589 O VAL S 58 25.969 -15.725 17.690 1.00 0.00 O ATOM 2590 CB VAL S 58 26.265 -12.386 16.679 1.00 0.00 C ATOM 2591 CG1 VAL S 58 27.696 -12.772 16.293 1.00 0.00 C ATOM 2592 CG2 VAL S 58 25.731 -11.372 15.666 1.00 0.00 C ATOM 0 H VAL S 58 23.806 -12.181 16.738 1.00 0.00 H new ATOM 0 HA VAL S 58 25.501 -14.206 15.737 1.00 0.00 H new ATOM 0 HB VAL S 58 26.261 -11.953 17.679 1.00 0.00 H new ATOM 0 HG11 VAL S 58 28.329 -11.885 16.309 1.00 0.00 H new ATOM 0 HG12 VAL S 58 28.080 -13.504 17.003 1.00 0.00 H new ATOM 0 HG13 VAL S 58 27.699 -13.202 15.291 1.00 0.00 H new ATOM 0 HG21 VAL S 58 26.360 -10.482 15.676 1.00 0.00 H new ATOM 0 HG22 VAL S 58 25.742 -11.813 14.669 1.00 0.00 H new ATOM 0 HG23 VAL S 58 24.710 -11.097 15.930 1.00 0.00 H new ATOM 2602 N GLU S 59 25.819 -13.931 19.005 1.00 0.00 N ATOM 2603 CA GLU S 59 26.183 -14.713 20.217 1.00 0.00 C ATOM 2604 C GLU S 59 25.287 -15.942 20.389 1.00 0.00 C ATOM 2605 O GLU S 59 25.557 -16.787 21.217 1.00 0.00 O ATOM 2606 CB GLU S 59 26.063 -13.789 21.449 1.00 0.00 C ATOM 2607 CG GLU S 59 24.742 -14.033 22.192 1.00 0.00 C ATOM 2608 CD GLU S 59 24.543 -12.923 23.230 1.00 0.00 C ATOM 2609 OE1 GLU S 59 25.064 -13.101 24.318 1.00 0.00 O ATOM 2610 OE2 GLU S 59 23.882 -11.961 22.876 1.00 0.00 O ATOM 0 H GLU S 59 25.637 -12.940 19.163 1.00 0.00 H new ATOM 0 HA GLU S 59 27.206 -15.075 20.110 1.00 0.00 H new ATOM 0 HB2 GLU S 59 26.901 -13.965 22.123 1.00 0.00 H new ATOM 0 HB3 GLU S 59 26.120 -12.747 21.134 1.00 0.00 H new ATOM 0 HG2 GLU S 59 23.910 -14.044 21.488 1.00 0.00 H new ATOM 0 HG3 GLU S 59 24.759 -15.007 22.681 1.00 0.00 H new ATOM 2617 N GLU S 60 24.240 -16.019 19.609 1.00 0.00 N ATOM 2618 CA GLU S 60 23.329 -17.194 19.729 1.00 0.00 C ATOM 2619 C GLU S 60 23.690 -18.253 18.692 1.00 0.00 C ATOM 2620 O GLU S 60 23.978 -19.383 19.030 1.00 0.00 O ATOM 2621 CB GLU S 60 21.889 -16.731 19.484 1.00 0.00 C ATOM 2622 CG GLU S 60 21.264 -16.317 20.819 1.00 0.00 C ATOM 2623 CD GLU S 60 19.820 -15.873 20.583 1.00 0.00 C ATOM 2624 OE1 GLU S 60 19.569 -15.404 19.486 1.00 0.00 O ATOM 2625 OE2 GLU S 60 19.048 -16.029 21.515 1.00 0.00 O ATOM 0 H GLU S 60 23.979 -15.329 18.904 1.00 0.00 H new ATOM 0 HA GLU S 60 23.429 -17.623 20.726 1.00 0.00 H new ATOM 0 HB2 GLU S 60 21.876 -15.893 18.787 1.00 0.00 H new ATOM 0 HB3 GLU S 60 21.308 -17.533 19.029 1.00 0.00 H new ATOM 0 HG2 GLU S 60 21.290 -17.151 21.520 1.00 0.00 H new ATOM 0 HG3 GLU S 60 21.838 -15.506 21.267 1.00 0.00 H new ATOM 3131 N VAL S 94 27.198 -19.122 4.746 1.00 0.00 N ATOM 3132 CA VAL S 94 28.518 -19.649 4.318 1.00 0.00 C ATOM 3133 C VAL S 94 29.525 -18.511 4.218 1.00 0.00 C ATOM 3134 O VAL S 94 30.714 -18.734 4.106 1.00 0.00 O ATOM 3135 CB VAL S 94 28.356 -20.304 2.939 1.00 0.00 C ATOM 3136 CG1 VAL S 94 29.516 -21.274 2.702 1.00 0.00 C ATOM 3137 CG2 VAL S 94 27.037 -21.079 2.909 1.00 0.00 C ATOM 0 HA VAL S 94 28.877 -20.377 5.046 1.00 0.00 H new ATOM 0 HB VAL S 94 28.355 -19.539 2.163 1.00 0.00 H new ATOM 0 HG11 VAL S 94 29.405 -21.742 1.724 1.00 0.00 H new ATOM 0 HG12 VAL S 94 30.459 -20.729 2.739 1.00 0.00 H new ATOM 0 HG13 VAL S 94 29.511 -22.043 3.474 1.00 0.00 H new ATOM 0 HG21 VAL S 94 26.913 -21.548 1.933 1.00 0.00 H new ATOM 0 HG22 VAL S 94 27.049 -21.847 3.682 1.00 0.00 H new ATOM 0 HG23 VAL S 94 26.209 -20.394 3.091 1.00 0.00 H new ATOM 3147 N GLU S 95 29.020 -17.308 4.257 1.00 0.00 N ATOM 3148 CA GLU S 95 29.915 -16.127 4.169 1.00 0.00 C ATOM 3149 C GLU S 95 30.177 -15.571 5.568 1.00 0.00 C ATOM 3150 O GLU S 95 31.135 -14.857 5.792 1.00 0.00 O ATOM 3151 CB GLU S 95 29.210 -15.055 3.327 1.00 0.00 C ATOM 3152 CG GLU S 95 29.219 -15.493 1.861 1.00 0.00 C ATOM 3153 CD GLU S 95 28.347 -14.541 1.040 1.00 0.00 C ATOM 3154 OE1 GLU S 95 27.453 -13.971 1.644 1.00 0.00 O ATOM 3155 OE2 GLU S 95 28.626 -14.435 -0.143 1.00 0.00 O ATOM 0 H GLU S 95 28.026 -17.095 4.346 1.00 0.00 H new ATOM 0 HA GLU S 95 30.864 -16.411 3.715 1.00 0.00 H new ATOM 0 HB2 GLU S 95 28.186 -14.917 3.673 1.00 0.00 H new ATOM 0 HB3 GLU S 95 29.716 -14.096 3.437 1.00 0.00 H new ATOM 0 HG2 GLU S 95 30.239 -15.492 1.476 1.00 0.00 H new ATOM 0 HG3 GLU S 95 28.845 -16.513 1.773 1.00 0.00 H new ATOM 3162 N LEU S 96 29.308 -15.922 6.482 1.00 0.00 N ATOM 3163 CA LEU S 96 29.462 -15.439 7.881 1.00 0.00 C ATOM 3164 C LEU S 96 30.478 -16.275 8.640 1.00 0.00 C ATOM 3165 O LEU S 96 31.396 -15.751 9.241 1.00 0.00 O ATOM 3166 CB LEU S 96 28.095 -15.555 8.577 1.00 0.00 C ATOM 3167 CG LEU S 96 28.225 -15.210 10.072 1.00 0.00 C ATOM 3168 CD1 LEU S 96 28.893 -13.843 10.227 1.00 0.00 C ATOM 3169 CD2 LEU S 96 26.830 -15.148 10.695 1.00 0.00 C ATOM 0 H LEU S 96 28.500 -16.522 6.317 1.00 0.00 H new ATOM 0 HA LEU S 96 29.813 -14.407 7.868 1.00 0.00 H new ATOM 0 HB2 LEU S 96 27.380 -14.883 8.103 1.00 0.00 H new ATOM 0 HB3 LEU S 96 27.706 -16.567 8.463 1.00 0.00 H new ATOM 0 HG LEU S 96 28.826 -15.972 10.568 1.00 0.00 H new ATOM 0 HD11 LEU S 96 28.984 -13.601 11.286 1.00 0.00 H new ATOM 0 HD12 LEU S 96 29.884 -13.869 9.774 1.00 0.00 H new ATOM 0 HD13 LEU S 96 28.288 -13.084 9.732 1.00 0.00 H new ATOM 0 HD21 LEU S 96 26.915 -14.904 11.754 1.00 0.00 H new ATOM 0 HD22 LEU S 96 26.241 -14.381 10.192 1.00 0.00 H new ATOM 0 HD23 LEU S 96 26.339 -16.115 10.584 1.00 0.00 H new ATOM 3181 N ARG S 97 30.285 -17.559 8.609 1.00 0.00 N ATOM 3182 CA ARG S 97 31.215 -18.454 9.312 1.00 0.00 C ATOM 3183 C ARG S 97 32.657 -18.027 9.065 1.00 0.00 C ATOM 3184 O ARG S 97 33.516 -18.219 9.898 1.00 0.00 O ATOM 3185 CB ARG S 97 30.998 -19.853 8.740 1.00 0.00 C ATOM 3186 CG ARG S 97 29.544 -20.274 8.973 1.00 0.00 C ATOM 3187 CD ARG S 97 29.285 -21.626 8.305 1.00 0.00 C ATOM 3188 NE ARG S 97 27.871 -21.662 7.846 1.00 0.00 N ATOM 3189 CZ ARG S 97 27.461 -22.649 7.098 1.00 0.00 C ATOM 3190 NH1 ARG S 97 28.332 -23.522 6.667 1.00 0.00 N ATOM 3191 NH2 ARG S 97 26.190 -22.730 6.808 1.00 0.00 N ATOM 0 H ARG S 97 29.517 -18.022 8.123 1.00 0.00 H new ATOM 0 HA ARG S 97 31.034 -18.425 10.386 1.00 0.00 H new ATOM 0 HB2 ARG S 97 31.225 -19.862 7.674 1.00 0.00 H new ATOM 0 HB3 ARG S 97 31.675 -20.562 9.216 1.00 0.00 H new ATOM 0 HG2 ARG S 97 29.342 -20.341 10.042 1.00 0.00 H new ATOM 0 HG3 ARG S 97 28.868 -19.522 8.567 1.00 0.00 H new ATOM 0 HD2 ARG S 97 29.961 -21.767 7.462 1.00 0.00 H new ATOM 0 HD3 ARG S 97 29.476 -22.438 9.006 1.00 0.00 H new ATOM 0 HE ARG S 97 27.225 -20.919 8.114 1.00 0.00 H new ATOM 0 HH11 ARG S 97 29.316 -23.426 6.916 1.00 0.00 H new ATOM 0 HH12 ARG S 97 28.028 -24.300 6.081 1.00 0.00 H new ATOM 0 HH21 ARG S 97 25.540 -22.030 7.165 1.00 0.00 H new ATOM 0 HH22 ARG S 97 25.848 -23.494 6.225 1.00 0.00 H new ATOM 3205 N GLN S 98 32.885 -17.435 7.923 1.00 0.00 N ATOM 3206 CA GLN S 98 34.251 -16.983 7.585 1.00 0.00 C ATOM 3207 C GLN S 98 34.849 -16.112 8.687 1.00 0.00 C ATOM 3208 O GLN S 98 35.848 -16.465 9.282 1.00 0.00 O ATOM 3209 CB GLN S 98 34.146 -16.143 6.314 1.00 0.00 C ATOM 3210 CG GLN S 98 33.709 -17.025 5.145 1.00 0.00 C ATOM 3211 CD GLN S 98 34.285 -16.458 3.844 1.00 0.00 C ATOM 3212 OE1 GLN S 98 33.575 -16.227 2.886 1.00 0.00 O ATOM 3213 NE2 GLN S 98 35.567 -16.220 3.771 1.00 0.00 N ATOM 0 H GLN S 98 32.177 -17.248 7.213 1.00 0.00 H new ATOM 0 HA GLN S 98 34.894 -17.854 7.459 1.00 0.00 H new ATOM 0 HB2 GLN S 98 33.429 -15.335 6.459 1.00 0.00 H new ATOM 0 HB3 GLN S 98 35.108 -15.680 6.093 1.00 0.00 H new ATOM 0 HG2 GLN S 98 34.056 -18.047 5.295 1.00 0.00 H new ATOM 0 HG3 GLN S 98 32.621 -17.063 5.089 1.00 0.00 H new ATOM 0 HE21 GLN S 98 36.168 -16.412 4.573 1.00 0.00 H new ATOM 0 HE22 GLN S 98 35.967 -15.842 2.912 1.00 0.00 H new ATOM 3222 N TRP S 99 34.227 -14.992 8.935 1.00 0.00 N ATOM 3223 CA TRP S 99 34.763 -14.095 9.998 1.00 0.00 C ATOM 3224 C TRP S 99 34.427 -14.580 11.402 1.00 0.00 C ATOM 3225 O TRP S 99 35.299 -14.737 12.241 1.00 0.00 O ATOM 3226 CB TRP S 99 34.155 -12.693 9.877 1.00 0.00 C ATOM 3227 CG TRP S 99 34.815 -11.870 10.949 1.00 0.00 C ATOM 3228 CD1 TRP S 99 36.121 -11.570 10.966 1.00 0.00 C ATOM 3229 CD2 TRP S 99 34.188 -11.292 11.958 1.00 0.00 C ATOM 3230 NE1 TRP S 99 36.240 -10.776 12.013 1.00 0.00 N ATOM 3231 CE2 TRP S 99 35.091 -10.549 12.681 1.00 0.00 C ATOM 3232 CE3 TRP S 99 32.862 -11.345 12.374 1.00 0.00 C ATOM 3233 CZ2 TRP S 99 34.693 -9.857 13.773 1.00 0.00 C ATOM 3234 CZ3 TRP S 99 32.472 -10.642 13.486 1.00 0.00 C ATOM 3235 CH2 TRP S 99 33.391 -9.897 14.175 1.00 0.00 C ATOM 0 H TRP S 99 33.387 -14.663 8.458 1.00 0.00 H new ATOM 0 HA TRP S 99 35.843 -14.089 9.854 1.00 0.00 H new ATOM 0 HB2 TRP S 99 34.339 -12.270 8.889 1.00 0.00 H new ATOM 0 HB3 TRP S 99 33.074 -12.722 10.015 1.00 0.00 H new ATOM 0 HD1 TRP S 99 36.892 -11.899 10.285 1.00 0.00 H new ATOM 0 HE1 TRP S 99 37.131 -10.366 12.295 1.00 0.00 H new ATOM 0 HE3 TRP S 99 32.144 -11.936 11.825 1.00 0.00 H new ATOM 0 HZ2 TRP S 99 35.410 -9.270 14.329 1.00 0.00 H new ATOM 0 HZ3 TRP S 99 31.444 -10.676 13.816 1.00 0.00 H new ATOM 0 HH2 TRP S 99 33.082 -9.336 15.045 1.00 0.00 H new ATOM 3246 N LEU S 100 33.160 -14.756 11.634 1.00 0.00 N ATOM 3247 CA LEU S 100 32.699 -15.226 12.967 1.00 0.00 C ATOM 3248 C LEU S 100 33.693 -16.193 13.617 1.00 0.00 C ATOM 3249 O LEU S 100 33.870 -16.192 14.818 1.00 0.00 O ATOM 3250 CB LEU S 100 31.356 -15.915 12.780 1.00 0.00 C ATOM 3251 CG LEU S 100 30.483 -15.603 13.997 1.00 0.00 C ATOM 3252 CD1 LEU S 100 29.890 -14.196 13.864 1.00 0.00 C ATOM 3253 CD2 LEU S 100 29.349 -16.615 14.066 1.00 0.00 C ATOM 0 H LEU S 100 32.418 -14.594 10.953 1.00 0.00 H new ATOM 0 HA LEU S 100 32.614 -14.367 13.632 1.00 0.00 H new ATOM 0 HB2 LEU S 100 30.874 -15.566 11.867 1.00 0.00 H new ATOM 0 HB3 LEU S 100 31.493 -16.991 12.676 1.00 0.00 H new ATOM 0 HG LEU S 100 31.090 -15.656 14.901 1.00 0.00 H new ATOM 0 HD11 LEU S 100 29.269 -13.979 14.733 1.00 0.00 H new ATOM 0 HD12 LEU S 100 30.697 -13.465 13.803 1.00 0.00 H new ATOM 0 HD13 LEU S 100 29.282 -14.141 12.961 1.00 0.00 H new ATOM 0 HD21 LEU S 100 28.722 -16.400 14.931 1.00 0.00 H new ATOM 0 HD22 LEU S 100 28.749 -16.552 13.158 1.00 0.00 H new ATOM 0 HD23 LEU S 100 29.763 -17.619 14.159 1.00 0.00 H new ATOM 3265 N GLU S 101 34.321 -17.010 12.816 1.00 0.00 N ATOM 3266 CA GLU S 101 35.303 -17.972 13.380 1.00 0.00 C ATOM 3267 C GLU S 101 36.482 -17.248 14.027 1.00 0.00 C ATOM 3268 O GLU S 101 36.933 -17.608 15.097 1.00 0.00 O ATOM 3269 CB GLU S 101 35.850 -18.806 12.215 1.00 0.00 C ATOM 3270 CG GLU S 101 35.728 -20.294 12.531 1.00 0.00 C ATOM 3271 CD GLU S 101 34.276 -20.734 12.337 1.00 0.00 C ATOM 3272 OE1 GLU S 101 33.419 -19.945 12.698 1.00 0.00 O ATOM 3273 OE2 GLU S 101 34.107 -21.834 11.835 1.00 0.00 O ATOM 0 H GLU S 101 34.197 -17.052 11.804 1.00 0.00 H new ATOM 0 HA GLU S 101 34.809 -18.582 14.136 1.00 0.00 H new ATOM 0 HB2 GLU S 101 35.301 -18.574 11.302 1.00 0.00 H new ATOM 0 HB3 GLU S 101 36.894 -18.550 12.033 1.00 0.00 H new ATOM 0 HG2 GLU S 101 36.385 -20.871 11.880 1.00 0.00 H new ATOM 0 HG3 GLU S 101 36.045 -20.487 13.556 1.00 0.00 H new ATOM 3280 N GLU S 102 36.955 -16.237 13.356 1.00 0.00 N ATOM 3281 CA GLU S 102 38.106 -15.454 13.882 1.00 0.00 C ATOM 3282 C GLU S 102 37.781 -14.635 15.133 1.00 0.00 C ATOM 3283 O GLU S 102 38.631 -14.468 15.987 1.00 0.00 O ATOM 3284 CB GLU S 102 38.542 -14.489 12.774 1.00 0.00 C ATOM 3285 CG GLU S 102 38.911 -15.299 11.530 1.00 0.00 C ATOM 3286 CD GLU S 102 40.338 -14.949 11.103 1.00 0.00 C ATOM 3287 OE1 GLU S 102 40.596 -13.760 11.004 1.00 0.00 O ATOM 3288 OE2 GLU S 102 41.087 -15.889 10.899 1.00 0.00 O ATOM 0 H GLU S 102 36.591 -15.917 12.459 1.00 0.00 H new ATOM 0 HA GLU S 102 38.883 -16.162 14.169 1.00 0.00 H new ATOM 0 HB2 GLU S 102 37.738 -13.790 12.544 1.00 0.00 H new ATOM 0 HB3 GLU S 102 39.395 -13.896 13.104 1.00 0.00 H new ATOM 0 HG2 GLU S 102 38.834 -16.366 11.740 1.00 0.00 H new ATOM 0 HG3 GLU S 102 38.214 -15.082 10.721 1.00 0.00 H new ATOM 3295 N VAL S 103 36.578 -14.144 15.244 1.00 0.00 N ATOM 3296 CA VAL S 103 36.256 -13.337 16.461 1.00 0.00 C ATOM 3297 C VAL S 103 35.803 -14.178 17.664 1.00 0.00 C ATOM 3298 O VAL S 103 36.201 -13.901 18.779 1.00 0.00 O ATOM 3299 CB VAL S 103 35.160 -12.327 16.102 1.00 0.00 C ATOM 3300 CG1 VAL S 103 34.075 -13.013 15.275 1.00 0.00 C ATOM 3301 CG2 VAL S 103 34.550 -11.765 17.387 1.00 0.00 C ATOM 0 H VAL S 103 35.822 -14.259 14.569 1.00 0.00 H new ATOM 0 HA VAL S 103 37.177 -12.841 16.768 1.00 0.00 H new ATOM 0 HB VAL S 103 35.593 -11.515 15.518 1.00 0.00 H new ATOM 0 HG11 VAL S 103 33.299 -12.291 15.023 1.00 0.00 H new ATOM 0 HG12 VAL S 103 34.512 -13.411 14.359 1.00 0.00 H new ATOM 0 HG13 VAL S 103 33.638 -13.828 15.852 1.00 0.00 H new ATOM 0 HG21 VAL S 103 33.770 -11.046 17.135 1.00 0.00 H new ATOM 0 HG22 VAL S 103 34.119 -12.578 17.971 1.00 0.00 H new ATOM 0 HG23 VAL S 103 35.325 -11.269 17.971 1.00 0.00 H new ATOM 3311 N LEU S 104 34.989 -15.176 17.446 1.00 0.00 N ATOM 3312 CA LEU S 104 34.540 -15.996 18.610 1.00 0.00 C ATOM 3313 C LEU S 104 35.499 -17.151 18.898 1.00 0.00 C ATOM 3314 O LEU S 104 35.698 -17.517 20.040 1.00 0.00 O ATOM 3315 CB LEU S 104 33.148 -16.569 18.313 1.00 0.00 C ATOM 3316 CG LEU S 104 32.150 -15.996 19.330 1.00 0.00 C ATOM 3317 CD1 LEU S 104 32.048 -14.477 19.156 1.00 0.00 C ATOM 3318 CD2 LEU S 104 30.776 -16.626 19.100 1.00 0.00 C ATOM 0 H LEU S 104 34.622 -15.455 16.536 1.00 0.00 H new ATOM 0 HA LEU S 104 34.517 -15.348 19.487 1.00 0.00 H new ATOM 0 HB2 LEU S 104 32.843 -16.312 17.299 1.00 0.00 H new ATOM 0 HB3 LEU S 104 33.167 -17.657 18.374 1.00 0.00 H new ATOM 0 HG LEU S 104 32.494 -16.221 20.340 1.00 0.00 H new ATOM 0 HD11 LEU S 104 31.339 -14.075 19.879 1.00 0.00 H new ATOM 0 HD12 LEU S 104 33.027 -14.026 19.318 1.00 0.00 H new ATOM 0 HD13 LEU S 104 31.706 -14.249 18.147 1.00 0.00 H new ATOM 0 HD21 LEU S 104 30.065 -16.221 19.820 1.00 0.00 H new ATOM 0 HD22 LEU S 104 30.437 -16.400 18.089 1.00 0.00 H new ATOM 0 HD23 LEU S 104 30.845 -17.706 19.226 1.00 0.00 H new ATOM 3330 N LEU S 105 36.074 -17.705 17.868 1.00 0.00 N ATOM 3331 CA LEU S 105 37.017 -18.832 18.091 1.00 0.00 C ATOM 3332 C LEU S 105 38.443 -18.316 18.267 1.00 0.00 C ATOM 3333 O LEU S 105 39.165 -18.760 19.138 1.00 0.00 O ATOM 3334 CB LEU S 105 36.973 -19.753 16.865 1.00 0.00 C ATOM 3335 CG LEU S 105 37.094 -21.210 17.316 1.00 0.00 C ATOM 3336 CD1 LEU S 105 35.709 -21.730 17.706 1.00 0.00 C ATOM 3337 CD2 LEU S 105 37.640 -22.049 16.159 1.00 0.00 C ATOM 0 H LEU S 105 35.934 -17.431 16.896 1.00 0.00 H new ATOM 0 HA LEU S 105 36.724 -19.369 18.993 1.00 0.00 H new ATOM 0 HB2 LEU S 105 36.040 -19.606 16.320 1.00 0.00 H new ATOM 0 HB3 LEU S 105 37.784 -19.504 16.181 1.00 0.00 H new ATOM 0 HG LEU S 105 37.767 -21.279 18.170 1.00 0.00 H new ATOM 0 HD11 LEU S 105 35.788 -22.768 18.029 1.00 0.00 H new ATOM 0 HD12 LEU S 105 35.310 -21.126 18.521 1.00 0.00 H new ATOM 0 HD13 LEU S 105 35.041 -21.667 16.847 1.00 0.00 H new ATOM 0 HD21 LEU S 105 37.729 -23.089 16.474 1.00 0.00 H new ATOM 0 HD22 LEU S 105 36.960 -21.984 15.310 1.00 0.00 H new ATOM 0 HD23 LEU S 105 38.621 -21.673 15.868 1.00 0.00 H new