USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 1002 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : R 16 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-6.3!) USER MOD Single : R 17 GLN : amide:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : R 27 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.223) USER MOD Single : R 28 ASN : amide:sc= -0.0805 X(o=-0.08,f=0) USER MOD Single : R 30 TYR OH : rot 180:sc= -0.0528 USER MOD Single : R 31 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : R 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : R 35 HIS : no HD1:sc= -1.38! C(o=-1.4!,f=-9.3!) USER MOD Single : R 40 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.17) USER MOD Single : R 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : R 44 THR OG1 : rot 180:sc= 0 USER MOD Single : R 53 THR OG1 : rot 180:sc= 0 USER MOD Single : R 98 GLN : amide:sc= 0.311 X(o=0.31,f=0) USER MOD Single : S 16 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : S 17 GLN : amide:sc= -0.245 X(o=-0.25,f=0) USER MOD Single : S 27 LYS NZ :NH3+ 159:sc= 0.937 (180deg=0.564) USER MOD Single : S 28 ASN : amide:sc= -1.82! K(o=-1.8!,f=-0.045) USER MOD Single : S 30 TYR OH : rot 180:sc= 0 USER MOD Single : S 31 GLN : amide:sc= -0.99! K(o=-0.99!,f=-0.026) USER MOD Single : S 32 ASN : amide:sc= 0 X(o=0,f=0.086) USER MOD Single : S 35 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-8.6!) USER MOD Single : S 40 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.58) USER MOD Single : S 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : S 44 THR OG1 : rot 180:sc= -0.03 USER MOD Single : S 53 THR OG1 : rot 90:sc= 0.394 USER MOD Single : S 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 180 N HIS R 16 22.669 0.137 29.137 1.00 0.00 N ATOM 181 CA HIS R 16 23.665 0.452 28.080 1.00 0.00 C ATOM 182 C HIS R 16 24.922 -0.411 28.240 1.00 0.00 C ATOM 183 O HIS R 16 26.031 0.037 28.035 1.00 0.00 O ATOM 184 CB HIS R 16 24.023 1.945 28.205 1.00 0.00 C ATOM 185 CG HIS R 16 23.370 2.713 27.051 1.00 0.00 C ATOM 186 ND1 HIS R 16 23.302 2.304 25.854 1.00 0.00 N ATOM 187 CD2 HIS R 16 22.745 3.947 27.044 1.00 0.00 C ATOM 188 CE1 HIS R 16 22.698 3.160 25.119 1.00 0.00 C ATOM 189 NE2 HIS R 16 22.317 4.228 25.803 1.00 0.00 N ATOM 0 HA HIS R 16 23.246 0.239 27.097 1.00 0.00 H new ATOM 0 HB2 HIS R 16 23.676 2.336 29.161 1.00 0.00 H new ATOM 0 HB3 HIS R 16 25.105 2.076 28.180 1.00 0.00 H new ATOM 0 HD2 HIS R 16 22.620 4.587 27.905 1.00 0.00 H new ATOM 0 HE1 HIS R 16 22.520 3.027 24.062 1.00 0.00 H new ATOM 0 HE2 HIS R 16 21.823 5.056 25.471 1.00 0.00 H new ATOM 197 N GLN R 17 24.720 -1.648 28.597 1.00 0.00 N ATOM 198 CA GLN R 17 25.885 -2.553 28.773 1.00 0.00 C ATOM 199 C GLN R 17 26.309 -3.151 27.438 1.00 0.00 C ATOM 200 O GLN R 17 27.312 -2.773 26.867 1.00 0.00 O ATOM 201 CB GLN R 17 25.470 -3.693 29.708 1.00 0.00 C ATOM 202 CG GLN R 17 25.330 -3.144 31.126 1.00 0.00 C ATOM 203 CD GLN R 17 24.822 -4.248 32.054 1.00 0.00 C ATOM 204 OE1 GLN R 17 23.851 -4.078 32.766 1.00 0.00 O ATOM 205 NE2 GLN R 17 25.447 -5.394 32.078 1.00 0.00 N ATOM 0 H GLN R 17 23.807 -2.067 28.773 1.00 0.00 H new ATOM 0 HA GLN R 17 26.719 -1.986 29.186 1.00 0.00 H new ATOM 0 HB2 GLN R 17 24.527 -4.127 29.377 1.00 0.00 H new ATOM 0 HB3 GLN R 17 26.213 -4.490 29.684 1.00 0.00 H new ATOM 0 HG2 GLN R 17 26.291 -2.771 31.479 1.00 0.00 H new ATOM 0 HG3 GLN R 17 24.639 -2.301 31.134 1.00 0.00 H new ATOM 0 HE21 GLN R 17 26.262 -5.543 31.483 1.00 0.00 H new ATOM 0 HE22 GLN R 17 25.120 -6.140 32.692 1.00 0.00 H new ATOM 214 N GLU R 18 25.529 -4.079 26.970 1.00 0.00 N ATOM 215 CA GLU R 18 25.858 -4.728 25.671 1.00 0.00 C ATOM 216 C GLU R 18 26.113 -3.676 24.592 1.00 0.00 C ATOM 217 O GLU R 18 26.917 -3.867 23.703 1.00 0.00 O ATOM 218 CB GLU R 18 24.663 -5.591 25.226 1.00 0.00 C ATOM 219 CG GLU R 18 23.854 -6.041 26.448 1.00 0.00 C ATOM 220 CD GLU R 18 22.845 -7.109 26.019 1.00 0.00 C ATOM 221 OE1 GLU R 18 23.256 -8.257 25.973 1.00 0.00 O ATOM 222 OE2 GLU R 18 21.718 -6.716 25.766 1.00 0.00 O ATOM 0 H GLU R 18 24.681 -4.417 27.426 1.00 0.00 H new ATOM 0 HA GLU R 18 26.753 -5.336 25.803 1.00 0.00 H new ATOM 0 HB2 GLU R 18 24.026 -5.023 24.548 1.00 0.00 H new ATOM 0 HB3 GLU R 18 25.018 -6.462 24.675 1.00 0.00 H new ATOM 0 HG2 GLU R 18 24.520 -6.440 27.213 1.00 0.00 H new ATOM 0 HG3 GLU R 18 23.335 -5.190 26.889 1.00 0.00 H new ATOM 229 N TRP R 19 25.417 -2.584 24.699 1.00 0.00 N ATOM 230 CA TRP R 19 25.583 -1.494 23.702 1.00 0.00 C ATOM 231 C TRP R 19 27.032 -0.996 23.616 1.00 0.00 C ATOM 232 O TRP R 19 27.332 -0.126 22.822 1.00 0.00 O ATOM 233 CB TRP R 19 24.657 -0.350 24.133 1.00 0.00 C ATOM 234 CG TRP R 19 25.010 0.918 23.368 1.00 0.00 C ATOM 235 CD1 TRP R 19 25.569 2.007 23.920 1.00 0.00 C ATOM 236 CD2 TRP R 19 24.845 1.097 22.057 1.00 0.00 C ATOM 237 NE1 TRP R 19 25.729 2.833 22.891 1.00 0.00 N ATOM 238 CE2 TRP R 19 25.310 2.349 21.700 1.00 0.00 C ATOM 239 CE3 TRP R 19 24.333 0.255 21.081 1.00 0.00 C ATOM 240 CZ2 TRP R 19 25.268 2.755 20.390 1.00 0.00 C ATOM 241 CZ3 TRP R 19 24.303 0.668 19.765 1.00 0.00 C ATOM 242 CH2 TRP R 19 24.766 1.916 19.422 1.00 0.00 C ATOM 0 H TRP R 19 24.737 -2.397 25.436 1.00 0.00 H new ATOM 0 HA TRP R 19 25.330 -1.868 22.710 1.00 0.00 H new ATOM 0 HB2 TRP R 19 23.618 -0.621 23.945 1.00 0.00 H new ATOM 0 HB3 TRP R 19 24.753 -0.177 25.205 1.00 0.00 H new ATOM 0 HD1 TRP R 19 25.828 2.173 24.955 1.00 0.00 H new ATOM 0 HE1 TRP R 19 26.137 3.762 22.992 1.00 0.00 H new ATOM 0 HE3 TRP R 19 23.959 -0.722 21.351 1.00 0.00 H new ATOM 0 HZ2 TRP R 19 25.630 3.736 20.118 1.00 0.00 H new ATOM 0 HZ3 TRP R 19 23.915 0.009 19.002 1.00 0.00 H new ATOM 0 HH2 TRP R 19 24.736 2.238 18.392 1.00 0.00 H new ATOM 253 N LEU R 20 27.899 -1.557 24.424 1.00 0.00 N ATOM 254 CA LEU R 20 29.332 -1.121 24.392 1.00 0.00 C ATOM 255 C LEU R 20 30.274 -2.277 24.040 1.00 0.00 C ATOM 256 O LEU R 20 30.928 -2.268 23.014 1.00 0.00 O ATOM 257 CB LEU R 20 29.729 -0.610 25.789 1.00 0.00 C ATOM 258 CG LEU R 20 28.919 0.643 26.169 1.00 0.00 C ATOM 259 CD1 LEU R 20 29.164 0.938 27.661 1.00 0.00 C ATOM 260 CD2 LEU R 20 29.371 1.845 25.317 1.00 0.00 C ATOM 0 H LEU R 20 27.680 -2.291 25.098 1.00 0.00 H new ATOM 0 HA LEU R 20 29.423 -0.345 23.632 1.00 0.00 H new ATOM 0 HB2 LEU R 20 29.561 -1.394 26.528 1.00 0.00 H new ATOM 0 HB3 LEU R 20 30.794 -0.378 25.806 1.00 0.00 H new ATOM 0 HG LEU R 20 27.858 0.472 25.986 1.00 0.00 H new ATOM 0 HD11 LEU R 20 28.600 1.823 27.954 1.00 0.00 H new ATOM 0 HD12 LEU R 20 28.839 0.086 28.258 1.00 0.00 H new ATOM 0 HD13 LEU R 20 30.227 1.114 27.827 1.00 0.00 H new ATOM 0 HD21 LEU R 20 28.792 2.726 25.594 1.00 0.00 H new ATOM 0 HD22 LEU R 20 30.430 2.037 25.492 1.00 0.00 H new ATOM 0 HD23 LEU R 20 29.212 1.623 24.262 1.00 0.00 H new ATOM 272 N ARG R 21 30.323 -3.246 24.908 1.00 0.00 N ATOM 273 CA ARG R 21 31.209 -4.417 24.668 1.00 0.00 C ATOM 274 C ARG R 21 30.883 -5.174 23.379 1.00 0.00 C ATOM 275 O ARG R 21 31.768 -5.755 22.786 1.00 0.00 O ATOM 276 CB ARG R 21 31.056 -5.379 25.853 1.00 0.00 C ATOM 277 CG ARG R 21 31.819 -4.824 27.062 1.00 0.00 C ATOM 278 CD ARG R 21 30.933 -4.917 28.306 1.00 0.00 C ATOM 279 NE ARG R 21 31.679 -4.355 29.468 1.00 0.00 N ATOM 280 CZ ARG R 21 31.162 -4.432 30.664 1.00 0.00 C ATOM 281 NH1 ARG R 21 29.975 -4.954 30.804 1.00 0.00 N ATOM 282 NH2 ARG R 21 31.849 -3.980 31.678 1.00 0.00 N ATOM 0 H ARG R 21 29.787 -3.278 25.775 1.00 0.00 H new ATOM 0 HA ARG R 21 32.227 -4.042 24.566 1.00 0.00 H new ATOM 0 HB2 ARG R 21 30.002 -5.504 26.100 1.00 0.00 H new ATOM 0 HB3 ARG R 21 31.440 -6.364 25.588 1.00 0.00 H new ATOM 0 HG2 ARG R 21 32.740 -5.387 27.215 1.00 0.00 H new ATOM 0 HG3 ARG R 21 32.105 -3.788 26.882 1.00 0.00 H new ATOM 0 HD2 ARG R 21 30.005 -4.367 28.151 1.00 0.00 H new ATOM 0 HD3 ARG R 21 30.660 -5.955 28.499 1.00 0.00 H new ATOM 0 HE ARG R 21 32.588 -3.913 29.329 1.00 0.00 H new ATOM 0 HH11 ARG R 21 29.468 -5.293 29.987 1.00 0.00 H new ATOM 0 HH12 ARG R 21 29.554 -5.023 31.731 1.00 0.00 H new ATOM 0 HH21 ARG R 21 32.773 -3.575 31.528 1.00 0.00 H new ATOM 0 HH22 ARG R 21 31.462 -4.032 32.620 1.00 0.00 H new ATOM 296 N PHE R 22 29.644 -5.168 22.959 1.00 0.00 N ATOM 297 CA PHE R 22 29.314 -5.904 21.704 1.00 0.00 C ATOM 298 C PHE R 22 29.465 -5.023 20.462 1.00 0.00 C ATOM 299 O PHE R 22 30.106 -5.420 19.506 1.00 0.00 O ATOM 300 CB PHE R 22 27.877 -6.429 21.792 1.00 0.00 C ATOM 301 CG PHE R 22 27.909 -7.809 22.457 1.00 0.00 C ATOM 302 CD1 PHE R 22 28.326 -8.921 21.748 1.00 0.00 C ATOM 303 CD2 PHE R 22 27.559 -7.954 23.785 1.00 0.00 C ATOM 304 CE1 PHE R 22 28.394 -10.158 22.361 1.00 0.00 C ATOM 305 CE2 PHE R 22 27.627 -9.187 24.398 1.00 0.00 C ATOM 306 CZ PHE R 22 28.046 -10.288 23.687 1.00 0.00 C ATOM 0 H PHE R 22 28.864 -4.697 23.418 1.00 0.00 H new ATOM 0 HA PHE R 22 30.017 -6.731 21.605 1.00 0.00 H new ATOM 0 HB2 PHE R 22 27.257 -5.743 22.370 1.00 0.00 H new ATOM 0 HB3 PHE R 22 27.436 -6.497 20.798 1.00 0.00 H new ATOM 0 HD1 PHE R 22 28.600 -8.822 20.708 1.00 0.00 H new ATOM 0 HD2 PHE R 22 27.229 -7.094 24.348 1.00 0.00 H new ATOM 0 HE1 PHE R 22 28.720 -11.022 21.801 1.00 0.00 H new ATOM 0 HE2 PHE R 22 27.351 -9.289 25.437 1.00 0.00 H new ATOM 0 HZ PHE R 22 28.102 -11.253 24.168 1.00 0.00 H new ATOM 316 N VAL R 23 28.876 -3.851 20.475 1.00 0.00 N ATOM 317 CA VAL R 23 29.022 -2.990 19.271 1.00 0.00 C ATOM 318 C VAL R 23 30.492 -2.921 18.896 1.00 0.00 C ATOM 319 O VAL R 23 30.841 -2.786 17.743 1.00 0.00 O ATOM 320 CB VAL R 23 28.509 -1.571 19.563 1.00 0.00 C ATOM 321 CG1 VAL R 23 27.020 -1.630 19.902 1.00 0.00 C ATOM 322 CG2 VAL R 23 29.273 -0.979 20.745 1.00 0.00 C ATOM 0 H VAL R 23 28.321 -3.468 21.240 1.00 0.00 H new ATOM 0 HA VAL R 23 28.439 -3.414 18.453 1.00 0.00 H new ATOM 0 HB VAL R 23 28.662 -0.945 18.684 1.00 0.00 H new ATOM 0 HG11 VAL R 23 26.654 -0.624 20.110 1.00 0.00 H new ATOM 0 HG12 VAL R 23 26.471 -2.049 19.059 1.00 0.00 H new ATOM 0 HG13 VAL R 23 26.871 -2.259 20.780 1.00 0.00 H new ATOM 0 HG21 VAL R 23 28.906 0.027 20.948 1.00 0.00 H new ATOM 0 HG22 VAL R 23 29.123 -1.605 21.625 1.00 0.00 H new ATOM 0 HG23 VAL R 23 30.336 -0.936 20.507 1.00 0.00 H new ATOM 332 N ASP R 24 31.334 -3.013 19.887 1.00 0.00 N ATOM 333 CA ASP R 24 32.783 -2.959 19.597 1.00 0.00 C ATOM 334 C ASP R 24 33.123 -4.003 18.537 1.00 0.00 C ATOM 335 O ASP R 24 33.779 -3.710 17.560 1.00 0.00 O ATOM 336 CB ASP R 24 33.549 -3.280 20.887 1.00 0.00 C ATOM 337 CG ASP R 24 35.047 -3.338 20.585 1.00 0.00 C ATOM 338 OD1 ASP R 24 35.638 -2.270 20.582 1.00 0.00 O ATOM 339 OD2 ASP R 24 35.516 -4.444 20.374 1.00 0.00 O ATOM 0 H ASP R 24 31.082 -3.122 20.869 1.00 0.00 H new ATOM 0 HA ASP R 24 33.058 -1.969 19.233 1.00 0.00 H new ATOM 0 HB2 ASP R 24 33.348 -2.520 21.642 1.00 0.00 H new ATOM 0 HB3 ASP R 24 33.212 -4.232 21.296 1.00 0.00 H new ATOM 344 N LEU R 25 32.668 -5.211 18.753 1.00 0.00 N ATOM 345 CA LEU R 25 32.948 -6.281 17.775 1.00 0.00 C ATOM 346 C LEU R 25 32.341 -5.943 16.415 1.00 0.00 C ATOM 347 O LEU R 25 32.859 -6.328 15.390 1.00 0.00 O ATOM 348 CB LEU R 25 32.322 -7.573 18.300 1.00 0.00 C ATOM 349 CG LEU R 25 33.171 -8.093 19.463 1.00 0.00 C ATOM 350 CD1 LEU R 25 33.128 -7.109 20.628 1.00 0.00 C ATOM 351 CD2 LEU R 25 32.607 -9.427 19.935 1.00 0.00 C ATOM 0 H LEU R 25 32.117 -5.493 19.564 1.00 0.00 H new ATOM 0 HA LEU R 25 34.025 -6.390 17.650 1.00 0.00 H new ATOM 0 HB2 LEU R 25 31.300 -7.390 18.631 1.00 0.00 H new ATOM 0 HB3 LEU R 25 32.272 -8.318 17.506 1.00 0.00 H new ATOM 0 HG LEU R 25 34.200 -8.211 19.124 1.00 0.00 H new ATOM 0 HD11 LEU R 25 33.736 -7.490 21.449 1.00 0.00 H new ATOM 0 HD12 LEU R 25 33.519 -6.145 20.304 1.00 0.00 H new ATOM 0 HD13 LEU R 25 32.098 -6.988 20.964 1.00 0.00 H new ATOM 0 HD21 LEU R 25 33.207 -9.803 20.763 1.00 0.00 H new ATOM 0 HD22 LEU R 25 31.577 -9.290 20.266 1.00 0.00 H new ATOM 0 HD23 LEU R 25 32.632 -10.144 19.114 1.00 0.00 H new ATOM 363 N LEU R 26 31.238 -5.247 16.423 1.00 0.00 N ATOM 364 CA LEU R 26 30.619 -4.895 15.117 1.00 0.00 C ATOM 365 C LEU R 26 31.657 -4.211 14.230 1.00 0.00 C ATOM 366 O LEU R 26 31.932 -4.640 13.124 1.00 0.00 O ATOM 367 CB LEU R 26 29.470 -3.906 15.359 1.00 0.00 C ATOM 368 CG LEU R 26 28.667 -3.724 14.063 1.00 0.00 C ATOM 369 CD1 LEU R 26 27.830 -4.976 13.775 1.00 0.00 C ATOM 370 CD2 LEU R 26 27.734 -2.520 14.221 1.00 0.00 C ATOM 0 H LEU R 26 30.750 -4.914 17.254 1.00 0.00 H new ATOM 0 HA LEU R 26 30.251 -5.801 14.635 1.00 0.00 H new ATOM 0 HB2 LEU R 26 28.820 -4.275 16.153 1.00 0.00 H new ATOM 0 HB3 LEU R 26 29.866 -2.946 15.691 1.00 0.00 H new ATOM 0 HG LEU R 26 29.357 -3.562 13.235 1.00 0.00 H new ATOM 0 HD11 LEU R 26 27.266 -4.833 12.853 1.00 0.00 H new ATOM 0 HD12 LEU R 26 28.489 -5.837 13.667 1.00 0.00 H new ATOM 0 HD13 LEU R 26 27.139 -5.149 14.600 1.00 0.00 H new ATOM 0 HD21 LEU R 26 27.159 -2.383 13.305 1.00 0.00 H new ATOM 0 HD22 LEU R 26 27.053 -2.694 15.054 1.00 0.00 H new ATOM 0 HD23 LEU R 26 28.325 -1.625 14.416 1.00 0.00 H new ATOM 382 N LYS R 27 32.221 -3.157 14.755 1.00 0.00 N ATOM 383 CA LYS R 27 33.241 -2.405 13.995 1.00 0.00 C ATOM 384 C LYS R 27 34.448 -3.278 13.633 1.00 0.00 C ATOM 385 O LYS R 27 35.089 -3.051 12.627 1.00 0.00 O ATOM 386 CB LYS R 27 33.670 -1.218 14.873 1.00 0.00 C ATOM 387 CG LYS R 27 35.008 -1.508 15.575 1.00 0.00 C ATOM 388 CD LYS R 27 35.249 -0.493 16.697 1.00 0.00 C ATOM 389 CE LYS R 27 36.239 -1.087 17.699 1.00 0.00 C ATOM 390 NZ LYS R 27 37.508 -1.467 17.019 1.00 0.00 N ATOM 0 H LYS R 27 32.013 -2.788 15.683 1.00 0.00 H new ATOM 0 HA LYS R 27 32.822 -2.064 13.049 1.00 0.00 H new ATOM 0 HB2 LYS R 27 33.764 -0.322 14.259 1.00 0.00 H new ATOM 0 HB3 LYS R 27 32.901 -1.015 15.618 1.00 0.00 H new ATOM 0 HG2 LYS R 27 35.001 -2.518 15.984 1.00 0.00 H new ATOM 0 HG3 LYS R 27 35.823 -1.463 14.853 1.00 0.00 H new ATOM 0 HD2 LYS R 27 35.641 0.437 16.286 1.00 0.00 H new ATOM 0 HD3 LYS R 27 34.310 -0.251 17.194 1.00 0.00 H new ATOM 0 HE2 LYS R 27 36.445 -0.363 18.487 1.00 0.00 H new ATOM 0 HE3 LYS R 27 35.800 -1.963 18.177 1.00 0.00 H new ATOM 0 HZ1 LYS R 27 38.254 -1.610 17.730 1.00 0.00 H new ATOM 0 HZ2 LYS R 27 37.365 -2.348 16.485 1.00 0.00 H new ATOM 0 HZ3 LYS R 27 37.793 -0.709 16.366 1.00 0.00 H new ATOM 404 N ASN R 28 34.747 -4.256 14.452 1.00 0.00 N ATOM 405 CA ASN R 28 35.911 -5.121 14.126 1.00 0.00 C ATOM 406 C ASN R 28 35.669 -5.814 12.790 1.00 0.00 C ATOM 407 O ASN R 28 36.554 -5.903 11.964 1.00 0.00 O ATOM 408 CB ASN R 28 36.093 -6.178 15.223 1.00 0.00 C ATOM 409 CG ASN R 28 36.973 -5.607 16.340 1.00 0.00 C ATOM 410 OD1 ASN R 28 38.184 -5.650 16.270 1.00 0.00 O ATOM 411 ND2 ASN R 28 36.409 -5.069 17.388 1.00 0.00 N ATOM 0 H ASN R 28 34.247 -4.486 15.311 1.00 0.00 H new ATOM 0 HA ASN R 28 36.810 -4.508 14.063 1.00 0.00 H new ATOM 0 HB2 ASN R 28 35.123 -6.473 15.624 1.00 0.00 H new ATOM 0 HB3 ASN R 28 36.551 -7.075 14.807 1.00 0.00 H new ATOM 0 HD21 ASN R 28 36.986 -4.689 18.139 1.00 0.00 H new ATOM 0 HD22 ASN R 28 35.392 -5.028 17.455 1.00 0.00 H new ATOM 418 N ALA R 29 34.473 -6.306 12.603 1.00 0.00 N ATOM 419 CA ALA R 29 34.176 -6.985 11.318 1.00 0.00 C ATOM 420 C ALA R 29 34.392 -5.983 10.208 1.00 0.00 C ATOM 421 O ALA R 29 35.133 -6.224 9.278 1.00 0.00 O ATOM 422 CB ALA R 29 32.708 -7.426 11.315 1.00 0.00 C ATOM 0 H ALA R 29 33.705 -6.267 13.273 1.00 0.00 H new ATOM 0 HA ALA R 29 34.818 -7.855 11.183 1.00 0.00 H new ATOM 0 HB1 ALA R 29 32.480 -7.926 10.374 1.00 0.00 H new ATOM 0 HB2 ALA R 29 32.533 -8.113 12.143 1.00 0.00 H new ATOM 0 HB3 ALA R 29 32.065 -6.553 11.426 1.00 0.00 H new ATOM 428 N TYR R 30 33.742 -4.866 10.333 1.00 0.00 N ATOM 429 CA TYR R 30 33.900 -3.832 9.294 1.00 0.00 C ATOM 430 C TYR R 30 35.366 -3.683 8.945 1.00 0.00 C ATOM 431 O TYR R 30 35.803 -4.237 7.933 1.00 0.00 O ATOM 432 CB TYR R 30 33.405 -2.492 9.865 1.00 0.00 C ATOM 433 CG TYR R 30 31.913 -2.306 9.579 1.00 0.00 C ATOM 434 CD1 TYR R 30 31.491 -1.720 8.403 1.00 0.00 C ATOM 435 CD2 TYR R 30 30.967 -2.718 10.496 1.00 0.00 C ATOM 436 CE1 TYR R 30 30.146 -1.544 8.151 1.00 0.00 C ATOM 437 CE2 TYR R 30 29.621 -2.542 10.242 1.00 0.00 C ATOM 438 CZ TYR R 30 29.200 -1.956 9.068 1.00 0.00 C ATOM 439 OH TYR R 30 27.854 -1.787 8.815 1.00 0.00 O ATOM 0 H TYR R 30 33.116 -4.629 11.102 1.00 0.00 H new ATOM 0 HA TYR R 30 33.334 -4.114 8.406 1.00 0.00 H new ATOM 0 HB2 TYR R 30 33.582 -2.461 10.940 1.00 0.00 H new ATOM 0 HB3 TYR R 30 33.971 -1.671 9.425 1.00 0.00 H new ATOM 0 HD1 TYR R 30 32.219 -1.397 7.674 1.00 0.00 H new ATOM 0 HD2 TYR R 30 31.282 -3.182 11.419 1.00 0.00 H new ATOM 0 HE1 TYR R 30 29.831 -1.080 7.228 1.00 0.00 H new ATOM 0 HE2 TYR R 30 28.892 -2.866 10.970 1.00 0.00 H new ATOM 0 HH TYR R 30 27.333 -2.136 9.568 1.00 0.00 H new ATOM 449 N GLN R 31 36.079 -3.098 9.908 1.00 0.00 N ATOM 450 CA GLN R 31 37.545 -2.825 9.810 1.00 0.00 C ATOM 451 C GLN R 31 38.052 -3.100 8.421 1.00 0.00 C ATOM 452 O GLN R 31 38.412 -2.193 7.698 1.00 0.00 O ATOM 453 CB GLN R 31 38.260 -3.739 10.817 1.00 0.00 C ATOM 454 CG GLN R 31 39.585 -3.101 11.232 1.00 0.00 C ATOM 455 CD GLN R 31 39.376 -2.313 12.529 1.00 0.00 C ATOM 456 OE1 GLN R 31 38.377 -1.642 12.706 1.00 0.00 O ATOM 457 NE2 GLN R 31 40.289 -2.367 13.460 1.00 0.00 N ATOM 0 H GLN R 31 35.669 -2.792 10.790 1.00 0.00 H new ATOM 0 HA GLN R 31 37.740 -1.776 10.031 1.00 0.00 H new ATOM 0 HB2 GLN R 31 37.630 -3.897 11.692 1.00 0.00 H new ATOM 0 HB3 GLN R 31 38.439 -4.718 10.373 1.00 0.00 H new ATOM 0 HG2 GLN R 31 40.344 -3.870 11.377 1.00 0.00 H new ATOM 0 HG3 GLN R 31 39.947 -2.440 10.445 1.00 0.00 H new ATOM 0 HE21 GLN R 31 41.129 -2.928 13.318 1.00 0.00 H new ATOM 0 HE22 GLN R 31 40.162 -1.849 14.329 1.00 0.00 H new ATOM 466 N ASN R 32 38.068 -4.334 8.073 1.00 0.00 N ATOM 467 CA ASN R 32 38.543 -4.676 6.726 1.00 0.00 C ATOM 468 C ASN R 32 37.303 -4.689 5.823 1.00 0.00 C ATOM 469 O ASN R 32 36.954 -3.678 5.246 1.00 0.00 O ATOM 470 CB ASN R 32 39.246 -6.050 6.794 1.00 0.00 C ATOM 471 CG ASN R 32 40.489 -6.024 5.897 1.00 0.00 C ATOM 472 OD1 ASN R 32 40.528 -6.643 4.852 1.00 0.00 O ATOM 473 ND2 ASN R 32 41.528 -5.327 6.273 1.00 0.00 N ATOM 0 H ASN R 32 37.776 -5.119 8.655 1.00 0.00 H new ATOM 0 HA ASN R 32 39.267 -3.965 6.328 1.00 0.00 H new ATOM 0 HB2 ASN R 32 39.529 -6.277 7.822 1.00 0.00 H new ATOM 0 HB3 ASN R 32 38.565 -6.837 6.470 1.00 0.00 H new ATOM 0 HD21 ASN R 32 42.365 -5.305 5.691 1.00 0.00 H new ATOM 0 HD22 ASN R 32 41.502 -4.805 7.149 1.00 0.00 H new ATOM 480 N ASP R 33 36.673 -5.816 5.707 1.00 0.00 N ATOM 481 CA ASP R 33 35.464 -5.901 4.860 1.00 0.00 C ATOM 482 C ASP R 33 34.582 -7.022 5.375 1.00 0.00 C ATOM 483 O ASP R 33 33.740 -7.528 4.658 1.00 0.00 O ATOM 484 CB ASP R 33 35.885 -6.206 3.425 1.00 0.00 C ATOM 485 CG ASP R 33 35.655 -4.971 2.550 1.00 0.00 C ATOM 486 OD1 ASP R 33 36.041 -3.907 3.003 1.00 0.00 O ATOM 487 OD2 ASP R 33 35.104 -5.164 1.478 1.00 0.00 O ATOM 0 H ASP R 33 36.945 -6.686 6.165 1.00 0.00 H new ATOM 0 HA ASP R 33 34.917 -4.959 4.890 1.00 0.00 H new ATOM 0 HB2 ASP R 33 36.936 -6.494 3.397 1.00 0.00 H new ATOM 0 HB3 ASP R 33 35.313 -7.050 3.039 1.00 0.00 H new ATOM 492 N LEU R 34 34.761 -7.392 6.618 1.00 0.00 N ATOM 493 CA LEU R 34 33.911 -8.503 7.124 1.00 0.00 C ATOM 494 C LEU R 34 32.534 -8.048 7.562 1.00 0.00 C ATOM 495 O LEU R 34 31.814 -8.792 8.196 1.00 0.00 O ATOM 496 CB LEU R 34 34.617 -9.201 8.294 1.00 0.00 C ATOM 497 CG LEU R 34 35.730 -10.134 7.774 1.00 0.00 C ATOM 498 CD1 LEU R 34 35.124 -11.271 6.930 1.00 0.00 C ATOM 499 CD2 LEU R 34 36.736 -9.332 6.937 1.00 0.00 C ATOM 0 H LEU R 34 35.429 -6.992 7.277 1.00 0.00 H new ATOM 0 HA LEU R 34 33.768 -9.194 6.294 1.00 0.00 H new ATOM 0 HB2 LEU R 34 35.043 -8.456 8.966 1.00 0.00 H new ATOM 0 HB3 LEU R 34 33.894 -9.775 8.873 1.00 0.00 H new ATOM 0 HG LEU R 34 36.248 -10.573 8.627 1.00 0.00 H new ATOM 0 HD11 LEU R 34 35.921 -11.921 6.570 1.00 0.00 H new ATOM 0 HD12 LEU R 34 34.432 -11.850 7.542 1.00 0.00 H new ATOM 0 HD13 LEU R 34 34.589 -10.848 6.080 1.00 0.00 H new ATOM 0 HD21 LEU R 34 37.519 -9.997 6.573 1.00 0.00 H new ATOM 0 HD22 LEU R 34 36.223 -8.877 6.089 1.00 0.00 H new ATOM 0 HD23 LEU R 34 37.181 -8.551 7.553 1.00 0.00 H new ATOM 511 N HIS R 35 32.176 -6.846 7.231 1.00 0.00 N ATOM 512 CA HIS R 35 30.819 -6.399 7.656 1.00 0.00 C ATOM 513 C HIS R 35 29.758 -7.003 6.758 1.00 0.00 C ATOM 514 O HIS R 35 28.846 -7.639 7.218 1.00 0.00 O ATOM 515 CB HIS R 35 30.673 -4.880 7.539 1.00 0.00 C ATOM 516 CG HIS R 35 31.139 -4.397 6.163 1.00 0.00 C ATOM 517 ND1 HIS R 35 32.183 -4.783 5.553 1.00 0.00 N ATOM 518 CD2 HIS R 35 30.542 -3.489 5.308 1.00 0.00 C ATOM 519 CE1 HIS R 35 32.277 -4.201 4.413 1.00 0.00 C ATOM 520 NE2 HIS R 35 31.276 -3.367 4.192 1.00 0.00 N ATOM 0 H HIS R 35 32.734 -6.173 6.706 1.00 0.00 H new ATOM 0 HA HIS R 35 30.694 -6.718 8.691 1.00 0.00 H new ATOM 0 HB2 HIS R 35 29.632 -4.596 7.696 1.00 0.00 H new ATOM 0 HB3 HIS R 35 31.258 -4.392 8.319 1.00 0.00 H new ATOM 0 HD2 HIS R 35 29.623 -2.958 5.509 1.00 0.00 H new ATOM 0 HE1 HIS R 35 33.082 -4.373 3.714 1.00 0.00 H new ATOM 0 HE2 HIS R 35 31.105 -2.778 3.377 1.00 0.00 H new ATOM 528 N LEU R 36 29.949 -6.826 5.482 1.00 0.00 N ATOM 529 CA LEU R 36 28.979 -7.359 4.482 1.00 0.00 C ATOM 530 C LEU R 36 28.274 -8.667 4.887 1.00 0.00 C ATOM 531 O LEU R 36 27.065 -8.700 4.918 1.00 0.00 O ATOM 532 CB LEU R 36 29.691 -7.547 3.138 1.00 0.00 C ATOM 533 CG LEU R 36 29.243 -6.440 2.176 1.00 0.00 C ATOM 534 CD1 LEU R 36 30.044 -6.552 0.880 1.00 0.00 C ATOM 535 CD2 LEU R 36 27.748 -6.599 1.859 1.00 0.00 C ATOM 0 H LEU R 36 30.745 -6.329 5.083 1.00 0.00 H new ATOM 0 HA LEU R 36 28.185 -6.616 4.414 1.00 0.00 H new ATOM 0 HB2 LEU R 36 30.772 -7.511 3.276 1.00 0.00 H new ATOM 0 HB3 LEU R 36 29.455 -8.526 2.721 1.00 0.00 H new ATOM 0 HG LEU R 36 29.412 -5.468 2.638 1.00 0.00 H new ATOM 0 HD11 LEU R 36 29.731 -5.768 0.190 1.00 0.00 H new ATOM 0 HD12 LEU R 36 31.106 -6.441 1.098 1.00 0.00 H new ATOM 0 HD13 LEU R 36 29.867 -7.527 0.426 1.00 0.00 H new ATOM 0 HD21 LEU R 36 27.435 -5.810 1.175 1.00 0.00 H new ATOM 0 HD22 LEU R 36 27.576 -7.570 1.395 1.00 0.00 H new ATOM 0 HD23 LEU R 36 27.171 -6.530 2.781 1.00 0.00 H new ATOM 547 N PRO R 37 29.003 -9.730 5.175 1.00 0.00 N ATOM 548 CA PRO R 37 28.351 -10.996 5.562 1.00 0.00 C ATOM 549 C PRO R 37 27.530 -10.852 6.849 1.00 0.00 C ATOM 550 O PRO R 37 26.316 -10.862 6.804 1.00 0.00 O ATOM 551 CB PRO R 37 29.499 -11.991 5.766 1.00 0.00 C ATOM 552 CG PRO R 37 30.827 -11.208 5.606 1.00 0.00 C ATOM 553 CD PRO R 37 30.482 -9.785 5.140 1.00 0.00 C ATOM 0 HA PRO R 37 27.646 -11.322 4.798 1.00 0.00 H new ATOM 0 HB2 PRO R 37 29.440 -12.448 6.754 1.00 0.00 H new ATOM 0 HB3 PRO R 37 29.440 -12.799 5.037 1.00 0.00 H new ATOM 0 HG2 PRO R 37 31.369 -11.179 6.551 1.00 0.00 H new ATOM 0 HG3 PRO R 37 31.475 -11.700 4.881 1.00 0.00 H new ATOM 0 HD2 PRO R 37 30.922 -9.035 5.797 1.00 0.00 H new ATOM 0 HD3 PRO R 37 30.862 -9.593 4.137 1.00 0.00 H new ATOM 561 N LEU R 38 28.185 -10.725 7.977 1.00 0.00 N ATOM 562 CA LEU R 38 27.402 -10.583 9.233 1.00 0.00 C ATOM 563 C LEU R 38 26.393 -9.466 9.049 1.00 0.00 C ATOM 564 O LEU R 38 25.262 -9.557 9.481 1.00 0.00 O ATOM 565 CB LEU R 38 28.378 -10.290 10.400 1.00 0.00 C ATOM 566 CG LEU R 38 28.273 -8.845 10.908 1.00 0.00 C ATOM 567 CD1 LEU R 38 26.946 -8.624 11.649 1.00 0.00 C ATOM 568 CD2 LEU R 38 29.409 -8.614 11.893 1.00 0.00 C ATOM 0 H LEU R 38 29.200 -10.714 8.078 1.00 0.00 H new ATOM 0 HA LEU R 38 26.860 -11.499 9.468 1.00 0.00 H new ATOM 0 HB2 LEU R 38 28.172 -10.976 11.222 1.00 0.00 H new ATOM 0 HB3 LEU R 38 29.399 -10.483 10.072 1.00 0.00 H new ATOM 0 HG LEU R 38 28.325 -8.161 10.061 1.00 0.00 H new ATOM 0 HD11 LEU R 38 26.893 -7.594 12.000 1.00 0.00 H new ATOM 0 HD12 LEU R 38 26.114 -8.820 10.972 1.00 0.00 H new ATOM 0 HD13 LEU R 38 26.888 -9.301 12.501 1.00 0.00 H new ATOM 0 HD21 LEU R 38 29.360 -7.593 12.272 1.00 0.00 H new ATOM 0 HD22 LEU R 38 29.318 -9.314 12.724 1.00 0.00 H new ATOM 0 HD23 LEU R 38 30.364 -8.769 11.390 1.00 0.00 H new ATOM 580 N LEU R 39 26.830 -8.436 8.401 1.00 0.00 N ATOM 581 CA LEU R 39 25.908 -7.288 8.167 1.00 0.00 C ATOM 582 C LEU R 39 24.703 -7.756 7.358 1.00 0.00 C ATOM 583 O LEU R 39 23.581 -7.377 7.626 1.00 0.00 O ATOM 584 CB LEU R 39 26.647 -6.204 7.363 1.00 0.00 C ATOM 585 CG LEU R 39 25.707 -5.031 7.053 1.00 0.00 C ATOM 586 CD1 LEU R 39 25.025 -4.533 8.327 1.00 0.00 C ATOM 587 CD2 LEU R 39 26.538 -3.892 6.460 1.00 0.00 C ATOM 0 H LEU R 39 27.772 -8.331 8.024 1.00 0.00 H new ATOM 0 HA LEU R 39 25.578 -6.889 9.126 1.00 0.00 H new ATOM 0 HB2 LEU R 39 27.509 -5.848 7.928 1.00 0.00 H new ATOM 0 HB3 LEU R 39 27.028 -6.628 6.434 1.00 0.00 H new ATOM 0 HG LEU R 39 24.940 -5.362 6.353 1.00 0.00 H new ATOM 0 HD11 LEU R 39 24.363 -3.702 8.084 1.00 0.00 H new ATOM 0 HD12 LEU R 39 24.444 -5.342 8.769 1.00 0.00 H new ATOM 0 HD13 LEU R 39 25.781 -4.199 9.038 1.00 0.00 H new ATOM 0 HD21 LEU R 39 25.888 -3.047 6.232 1.00 0.00 H new ATOM 0 HD22 LEU R 39 27.296 -3.582 7.179 1.00 0.00 H new ATOM 0 HD23 LEU R 39 27.023 -4.233 5.545 1.00 0.00 H new ATOM 599 N ASN R 40 24.970 -8.579 6.378 1.00 0.00 N ATOM 600 CA ASN R 40 23.866 -9.094 5.531 1.00 0.00 C ATOM 601 C ASN R 40 22.909 -9.956 6.350 1.00 0.00 C ATOM 602 O ASN R 40 21.761 -10.123 5.990 1.00 0.00 O ATOM 603 CB ASN R 40 24.456 -9.958 4.408 1.00 0.00 C ATOM 604 CG ASN R 40 23.504 -11.121 4.122 1.00 0.00 C ATOM 605 OD1 ASN R 40 22.564 -10.995 3.362 1.00 0.00 O ATOM 606 ND2 ASN R 40 23.709 -12.267 4.713 1.00 0.00 N ATOM 0 H ASN R 40 25.902 -8.913 6.132 1.00 0.00 H new ATOM 0 HA ASN R 40 23.320 -8.244 5.122 1.00 0.00 H new ATOM 0 HB2 ASN R 40 24.600 -9.359 3.509 1.00 0.00 H new ATOM 0 HB3 ASN R 40 25.436 -10.336 4.699 1.00 0.00 H new ATOM 0 HD21 ASN R 40 23.082 -13.052 4.536 1.00 0.00 H new ATOM 0 HD22 ASN R 40 24.497 -12.378 5.352 1.00 0.00 H new ATOM 613 N LEU R 41 23.391 -10.501 7.435 1.00 0.00 N ATOM 614 CA LEU R 41 22.494 -11.345 8.259 1.00 0.00 C ATOM 615 C LEU R 41 21.217 -10.572 8.556 1.00 0.00 C ATOM 616 O LEU R 41 20.127 -11.023 8.265 1.00 0.00 O ATOM 617 CB LEU R 41 23.185 -11.669 9.594 1.00 0.00 C ATOM 618 CG LEU R 41 22.702 -13.033 10.116 1.00 0.00 C ATOM 619 CD1 LEU R 41 21.165 -13.040 10.189 1.00 0.00 C ATOM 620 CD2 LEU R 41 23.195 -14.160 9.190 1.00 0.00 C ATOM 0 H LEU R 41 24.347 -10.399 7.777 1.00 0.00 H new ATOM 0 HA LEU R 41 22.265 -12.265 7.721 1.00 0.00 H new ATOM 0 HB2 LEU R 41 24.267 -11.684 9.460 1.00 0.00 H new ATOM 0 HB3 LEU R 41 22.965 -10.891 10.325 1.00 0.00 H new ATOM 0 HG LEU R 41 23.109 -13.201 11.113 1.00 0.00 H new ATOM 0 HD11 LEU R 41 20.823 -14.007 10.559 1.00 0.00 H new ATOM 0 HD12 LEU R 41 20.829 -12.253 10.865 1.00 0.00 H new ATOM 0 HD13 LEU R 41 20.753 -12.865 9.195 1.00 0.00 H new ATOM 0 HD21 LEU R 41 22.847 -15.121 9.569 1.00 0.00 H new ATOM 0 HD22 LEU R 41 22.803 -14.003 8.185 1.00 0.00 H new ATOM 0 HD23 LEU R 41 24.285 -14.155 9.159 1.00 0.00 H new ATOM 632 N MET R 42 21.395 -9.410 9.124 1.00 0.00 N ATOM 633 CA MET R 42 20.217 -8.560 9.462 1.00 0.00 C ATOM 634 C MET R 42 20.104 -7.374 8.497 1.00 0.00 C ATOM 635 O MET R 42 20.067 -6.231 8.907 1.00 0.00 O ATOM 636 CB MET R 42 20.408 -8.036 10.894 1.00 0.00 C ATOM 637 CG MET R 42 19.035 -7.824 11.538 1.00 0.00 C ATOM 638 SD MET R 42 18.967 -6.812 13.037 1.00 0.00 S ATOM 639 CE MET R 42 18.502 -5.258 12.236 1.00 0.00 C ATOM 0 H MET R 42 22.302 -9.013 9.368 1.00 0.00 H new ATOM 0 HA MET R 42 19.305 -9.151 9.380 1.00 0.00 H new ATOM 0 HB2 MET R 42 20.992 -8.746 11.479 1.00 0.00 H new ATOM 0 HB3 MET R 42 20.965 -7.099 10.880 1.00 0.00 H new ATOM 0 HG2 MET R 42 18.381 -7.369 10.794 1.00 0.00 H new ATOM 0 HG3 MET R 42 18.618 -8.803 11.773 1.00 0.00 H new ATOM 0 HE1 MET R 42 18.402 -4.476 12.989 1.00 0.00 H new ATOM 0 HE2 MET R 42 19.271 -4.974 11.518 1.00 0.00 H new ATOM 0 HE3 MET R 42 17.552 -5.386 11.718 1.00 0.00 H new ATOM 649 N LEU R 43 20.047 -7.671 7.226 1.00 0.00 N ATOM 650 CA LEU R 43 19.937 -6.588 6.215 1.00 0.00 C ATOM 651 C LEU R 43 18.473 -6.204 5.981 1.00 0.00 C ATOM 652 O LEU R 43 18.164 -5.451 5.083 1.00 0.00 O ATOM 653 CB LEU R 43 20.625 -7.123 4.930 1.00 0.00 C ATOM 654 CG LEU R 43 19.669 -7.321 3.735 1.00 0.00 C ATOM 655 CD1 LEU R 43 19.491 -6.008 2.961 1.00 0.00 C ATOM 656 CD2 LEU R 43 20.299 -8.348 2.791 1.00 0.00 C ATOM 0 H LEU R 43 20.072 -8.618 6.847 1.00 0.00 H new ATOM 0 HA LEU R 43 20.425 -5.672 6.549 1.00 0.00 H new ATOM 0 HB2 LEU R 43 21.414 -6.430 4.638 1.00 0.00 H new ATOM 0 HB3 LEU R 43 21.105 -8.075 5.158 1.00 0.00 H new ATOM 0 HG LEU R 43 18.698 -7.653 4.103 1.00 0.00 H new ATOM 0 HD11 LEU R 43 18.813 -6.169 2.122 1.00 0.00 H new ATOM 0 HD12 LEU R 43 19.075 -5.249 3.623 1.00 0.00 H new ATOM 0 HD13 LEU R 43 20.458 -5.672 2.587 1.00 0.00 H new ATOM 0 HD21 LEU R 43 19.642 -8.507 1.936 1.00 0.00 H new ATOM 0 HD22 LEU R 43 21.264 -7.979 2.444 1.00 0.00 H new ATOM 0 HD23 LEU R 43 20.440 -9.290 3.320 1.00 0.00 H new ATOM 668 N THR R 44 17.603 -6.721 6.815 1.00 0.00 N ATOM 669 CA THR R 44 16.150 -6.410 6.673 1.00 0.00 C ATOM 670 C THR R 44 15.925 -4.970 6.162 1.00 0.00 C ATOM 671 O THR R 44 16.696 -4.084 6.476 1.00 0.00 O ATOM 672 CB THR R 44 15.504 -6.540 8.054 1.00 0.00 C ATOM 673 OG1 THR R 44 16.199 -5.623 8.882 1.00 0.00 O ATOM 674 CG2 THR R 44 15.802 -7.913 8.667 1.00 0.00 C ATOM 0 H THR R 44 17.839 -7.345 7.587 1.00 0.00 H new ATOM 0 HA THR R 44 15.712 -7.101 5.952 1.00 0.00 H new ATOM 0 HB THR R 44 14.429 -6.381 7.975 1.00 0.00 H new ATOM 0 HG1 THR R 44 15.829 -5.656 9.789 1.00 0.00 H new ATOM 0 HG21 THR R 44 15.333 -7.983 9.648 1.00 0.00 H new ATOM 0 HG22 THR R 44 15.406 -8.695 8.019 1.00 0.00 H new ATOM 0 HG23 THR R 44 16.880 -8.039 8.770 1.00 0.00 H new ATOM 682 N PRO R 45 14.874 -4.750 5.386 1.00 0.00 N ATOM 683 CA PRO R 45 14.581 -3.409 4.853 1.00 0.00 C ATOM 684 C PRO R 45 14.577 -2.350 5.954 1.00 0.00 C ATOM 685 O PRO R 45 14.925 -1.209 5.724 1.00 0.00 O ATOM 686 CB PRO R 45 13.169 -3.529 4.248 1.00 0.00 C ATOM 687 CG PRO R 45 12.756 -5.020 4.312 1.00 0.00 C ATOM 688 CD PRO R 45 13.891 -5.787 5.001 1.00 0.00 C ATOM 0 HA PRO R 45 15.336 -3.099 4.130 1.00 0.00 H new ATOM 0 HB2 PRO R 45 12.462 -2.912 4.802 1.00 0.00 H new ATOM 0 HB3 PRO R 45 13.163 -3.174 3.217 1.00 0.00 H new ATOM 0 HG2 PRO R 45 11.824 -5.136 4.866 1.00 0.00 H new ATOM 0 HG3 PRO R 45 12.582 -5.412 3.310 1.00 0.00 H new ATOM 0 HD2 PRO R 45 13.528 -6.330 5.873 1.00 0.00 H new ATOM 0 HD3 PRO R 45 14.335 -6.522 4.330 1.00 0.00 H new ATOM 696 N ASP R 46 14.187 -2.749 7.132 1.00 0.00 N ATOM 697 CA ASP R 46 14.154 -1.784 8.256 1.00 0.00 C ATOM 698 C ASP R 46 15.534 -1.172 8.500 1.00 0.00 C ATOM 699 O ASP R 46 15.651 -0.001 8.798 1.00 0.00 O ATOM 700 CB ASP R 46 13.724 -2.551 9.510 1.00 0.00 C ATOM 701 CG ASP R 46 12.299 -2.146 9.887 1.00 0.00 C ATOM 702 OD1 ASP R 46 11.431 -2.396 9.066 1.00 0.00 O ATOM 703 OD2 ASP R 46 12.157 -1.615 10.976 1.00 0.00 O ATOM 0 H ASP R 46 13.892 -3.698 7.361 1.00 0.00 H new ATOM 0 HA ASP R 46 13.462 -0.976 8.020 1.00 0.00 H new ATOM 0 HB2 ASP R 46 13.773 -3.625 9.328 1.00 0.00 H new ATOM 0 HB3 ASP R 46 14.405 -2.336 10.333 1.00 0.00 H new ATOM 708 N GLU R 47 16.549 -1.979 8.367 1.00 0.00 N ATOM 709 CA GLU R 47 17.929 -1.467 8.587 1.00 0.00 C ATOM 710 C GLU R 47 18.412 -0.656 7.387 1.00 0.00 C ATOM 711 O GLU R 47 18.796 0.486 7.524 1.00 0.00 O ATOM 712 CB GLU R 47 18.856 -2.674 8.779 1.00 0.00 C ATOM 713 CG GLU R 47 20.243 -2.194 9.211 1.00 0.00 C ATOM 714 CD GLU R 47 20.145 -1.513 10.577 1.00 0.00 C ATOM 715 OE1 GLU R 47 20.106 -2.250 11.547 1.00 0.00 O ATOM 716 OE2 GLU R 47 20.109 -0.293 10.572 1.00 0.00 O ATOM 0 H GLU R 47 16.483 -2.966 8.117 1.00 0.00 H new ATOM 0 HA GLU R 47 17.936 -0.818 9.462 1.00 0.00 H new ATOM 0 HB2 GLU R 47 18.443 -3.346 9.531 1.00 0.00 H new ATOM 0 HB3 GLU R 47 18.929 -3.240 7.850 1.00 0.00 H new ATOM 0 HG2 GLU R 47 20.932 -3.037 9.262 1.00 0.00 H new ATOM 0 HG3 GLU R 47 20.645 -1.498 8.474 1.00 0.00 H new ATOM 723 N ARG R 48 18.392 -1.266 6.236 1.00 0.00 N ATOM 724 CA ARG R 48 18.845 -0.542 5.021 1.00 0.00 C ATOM 725 C ARG R 48 18.154 0.815 4.920 1.00 0.00 C ATOM 726 O ARG R 48 18.795 1.837 4.774 1.00 0.00 O ATOM 727 CB ARG R 48 18.465 -1.385 3.800 1.00 0.00 C ATOM 728 CG ARG R 48 19.146 -0.814 2.555 1.00 0.00 C ATOM 729 CD ARG R 48 18.868 -1.742 1.368 1.00 0.00 C ATOM 730 NE ARG R 48 17.399 -1.966 1.265 1.00 0.00 N ATOM 731 CZ ARG R 48 16.781 -1.667 0.155 1.00 0.00 C ATOM 732 NH1 ARG R 48 16.737 -0.422 -0.229 1.00 0.00 N ATOM 733 NH2 ARG R 48 16.225 -2.626 -0.533 1.00 0.00 N ATOM 0 H ARG R 48 18.084 -2.227 6.086 1.00 0.00 H new ATOM 0 HA ARG R 48 19.922 -0.383 5.069 1.00 0.00 H new ATOM 0 HB2 ARG R 48 18.769 -2.421 3.951 1.00 0.00 H new ATOM 0 HB3 ARG R 48 17.383 -1.386 3.668 1.00 0.00 H new ATOM 0 HG2 ARG R 48 18.771 0.188 2.346 1.00 0.00 H new ATOM 0 HG3 ARG R 48 20.220 -0.724 2.720 1.00 0.00 H new ATOM 0 HD2 ARG R 48 19.247 -1.300 0.447 1.00 0.00 H new ATOM 0 HD3 ARG R 48 19.386 -2.692 1.503 1.00 0.00 H new ATOM 0 HE ARG R 48 16.881 -2.350 2.055 1.00 0.00 H new ATOM 0 HH11 ARG R 48 17.182 0.302 0.336 1.00 0.00 H new ATOM 0 HH12 ARG R 48 16.258 -0.172 -1.094 1.00 0.00 H new ATOM 0 HH21 ARG R 48 16.278 -3.589 -0.201 1.00 0.00 H new ATOM 0 HH22 ARG R 48 15.737 -2.413 -1.403 1.00 0.00 H new ATOM 747 N GLU R 49 16.852 0.796 5.005 1.00 0.00 N ATOM 748 CA GLU R 49 16.088 2.067 4.918 1.00 0.00 C ATOM 749 C GLU R 49 16.662 3.106 5.877 1.00 0.00 C ATOM 750 O GLU R 49 16.397 4.284 5.755 1.00 0.00 O ATOM 751 CB GLU R 49 14.635 1.769 5.322 1.00 0.00 C ATOM 752 CG GLU R 49 13.735 2.947 4.934 1.00 0.00 C ATOM 753 CD GLU R 49 12.331 2.712 5.498 1.00 0.00 C ATOM 754 OE1 GLU R 49 12.268 2.403 6.676 1.00 0.00 O ATOM 755 OE2 GLU R 49 11.403 2.856 4.720 1.00 0.00 O ATOM 0 H GLU R 49 16.287 -0.044 5.131 1.00 0.00 H new ATOM 0 HA GLU R 49 16.146 2.461 3.903 1.00 0.00 H new ATOM 0 HB2 GLU R 49 14.291 0.859 4.830 1.00 0.00 H new ATOM 0 HB3 GLU R 49 14.576 1.593 6.396 1.00 0.00 H new ATOM 0 HG2 GLU R 49 14.146 3.878 5.324 1.00 0.00 H new ATOM 0 HG3 GLU R 49 13.693 3.047 3.849 1.00 0.00 H new ATOM 762 N ALA R 50 17.450 2.644 6.811 1.00 0.00 N ATOM 763 CA ALA R 50 18.056 3.582 7.791 1.00 0.00 C ATOM 764 C ALA R 50 19.480 3.969 7.390 1.00 0.00 C ATOM 765 O ALA R 50 19.833 5.132 7.417 1.00 0.00 O ATOM 766 CB ALA R 50 18.098 2.880 9.155 1.00 0.00 C ATOM 0 H ALA R 50 17.697 1.662 6.935 1.00 0.00 H new ATOM 0 HA ALA R 50 17.457 4.492 7.827 1.00 0.00 H new ATOM 0 HB1 ALA R 50 18.539 3.548 9.895 1.00 0.00 H new ATOM 0 HB2 ALA R 50 17.085 2.619 9.461 1.00 0.00 H new ATOM 0 HB3 ALA R 50 18.699 1.974 9.080 1.00 0.00 H new ATOM 772 N LEU R 51 20.272 2.996 7.027 1.00 0.00 N ATOM 773 CA LEU R 51 21.670 3.312 6.626 1.00 0.00 C ATOM 774 C LEU R 51 21.699 4.495 5.665 1.00 0.00 C ATOM 775 O LEU R 51 22.288 5.520 5.948 1.00 0.00 O ATOM 776 CB LEU R 51 22.270 2.091 5.908 1.00 0.00 C ATOM 777 CG LEU R 51 23.761 2.343 5.631 1.00 0.00 C ATOM 778 CD1 LEU R 51 24.557 1.076 5.954 1.00 0.00 C ATOM 779 CD2 LEU R 51 23.951 2.690 4.151 1.00 0.00 C ATOM 0 H LEU R 51 20.015 2.010 6.991 1.00 0.00 H new ATOM 0 HA LEU R 51 22.243 3.560 7.520 1.00 0.00 H new ATOM 0 HB2 LEU R 51 22.149 1.198 6.522 1.00 0.00 H new ATOM 0 HB3 LEU R 51 21.741 1.909 4.973 1.00 0.00 H new ATOM 0 HG LEU R 51 24.112 3.168 6.251 1.00 0.00 H new ATOM 0 HD11 LEU R 51 25.615 1.251 5.759 1.00 0.00 H new ATOM 0 HD12 LEU R 51 24.420 0.818 7.004 1.00 0.00 H new ATOM 0 HD13 LEU R 51 24.204 0.255 5.330 1.00 0.00 H new ATOM 0 HD21 LEU R 51 25.008 2.869 3.952 1.00 0.00 H new ATOM 0 HD22 LEU R 51 23.601 1.861 3.535 1.00 0.00 H new ATOM 0 HD23 LEU R 51 23.380 3.587 3.911 1.00 0.00 H new ATOM 791 N GLY R 52 21.056 4.326 4.546 1.00 0.00 N ATOM 792 CA GLY R 52 21.030 5.422 3.542 1.00 0.00 C ATOM 793 C GLY R 52 20.784 6.782 4.216 1.00 0.00 C ATOM 794 O GLY R 52 21.586 7.687 4.097 1.00 0.00 O ATOM 0 H GLY R 52 20.549 3.480 4.284 1.00 0.00 H new ATOM 0 HA2 GLY R 52 21.976 5.446 3.001 1.00 0.00 H new ATOM 0 HA3 GLY R 52 20.247 5.229 2.808 1.00 0.00 H new ATOM 798 N THR R 53 19.684 6.893 4.915 1.00 0.00 N ATOM 799 CA THR R 53 19.368 8.180 5.602 1.00 0.00 C ATOM 800 C THR R 53 20.479 8.614 6.555 1.00 0.00 C ATOM 801 O THR R 53 21.155 9.595 6.320 1.00 0.00 O ATOM 802 CB THR R 53 18.094 7.987 6.425 1.00 0.00 C ATOM 803 OG1 THR R 53 17.070 7.728 5.481 1.00 0.00 O ATOM 804 CG2 THR R 53 17.679 9.301 7.097 1.00 0.00 C ATOM 0 H THR R 53 18.994 6.152 5.039 1.00 0.00 H new ATOM 0 HA THR R 53 19.252 8.947 4.837 1.00 0.00 H new ATOM 0 HB THR R 53 18.250 7.208 7.171 1.00 0.00 H new ATOM 0 HG1 THR R 53 16.220 7.592 5.949 1.00 0.00 H new ATOM 0 HG21 THR R 53 16.770 9.142 7.678 1.00 0.00 H new ATOM 0 HG22 THR R 53 18.477 9.640 7.758 1.00 0.00 H new ATOM 0 HG23 THR R 53 17.494 10.057 6.334 1.00 0.00 H new ATOM 812 N ARG R 54 20.629 7.871 7.617 1.00 0.00 N ATOM 813 CA ARG R 54 21.679 8.200 8.617 1.00 0.00 C ATOM 814 C ARG R 54 22.984 8.659 7.964 1.00 0.00 C ATOM 815 O ARG R 54 23.810 9.283 8.601 1.00 0.00 O ATOM 816 CB ARG R 54 21.965 6.935 9.431 1.00 0.00 C ATOM 817 CG ARG R 54 23.111 7.216 10.402 1.00 0.00 C ATOM 818 CD ARG R 54 23.157 6.113 11.465 1.00 0.00 C ATOM 819 NE ARG R 54 21.944 6.206 12.327 1.00 0.00 N ATOM 820 CZ ARG R 54 21.007 5.302 12.212 1.00 0.00 C ATOM 821 NH1 ARG R 54 21.314 4.048 12.406 1.00 0.00 N ATOM 822 NH2 ARG R 54 19.797 5.681 11.900 1.00 0.00 N ATOM 0 H ARG R 54 20.067 7.048 7.834 1.00 0.00 H new ATOM 0 HA ARG R 54 21.314 9.018 9.238 1.00 0.00 H new ATOM 0 HB2 ARG R 54 21.073 6.631 9.979 1.00 0.00 H new ATOM 0 HB3 ARG R 54 22.228 6.111 8.767 1.00 0.00 H new ATOM 0 HG2 ARG R 54 24.058 7.257 9.863 1.00 0.00 H new ATOM 0 HG3 ARG R 54 22.971 8.188 10.876 1.00 0.00 H new ATOM 0 HD2 ARG R 54 23.203 5.134 10.988 1.00 0.00 H new ATOM 0 HD3 ARG R 54 24.057 6.215 12.072 1.00 0.00 H new ATOM 0 HE ARG R 54 21.846 6.967 12.999 1.00 0.00 H new ATOM 0 HH11 ARG R 54 22.271 3.788 12.643 1.00 0.00 H new ATOM 0 HH12 ARG R 54 20.596 3.328 12.321 1.00 0.00 H new ATOM 0 HH21 ARG R 54 19.595 6.669 11.750 1.00 0.00 H new ATOM 0 HH22 ARG R 54 19.054 4.989 11.806 1.00 0.00 H new ATOM 836 N VAL R 55 23.145 8.340 6.714 1.00 0.00 N ATOM 837 CA VAL R 55 24.391 8.744 6.003 1.00 0.00 C ATOM 838 C VAL R 55 24.218 10.041 5.200 1.00 0.00 C ATOM 839 O VAL R 55 25.114 10.865 5.156 1.00 0.00 O ATOM 840 CB VAL R 55 24.741 7.595 5.043 1.00 0.00 C ATOM 841 CG1 VAL R 55 25.490 8.124 3.813 1.00 0.00 C ATOM 842 CG2 VAL R 55 25.630 6.589 5.775 1.00 0.00 C ATOM 0 H VAL R 55 22.472 7.819 6.153 1.00 0.00 H new ATOM 0 HA VAL R 55 25.177 8.933 6.734 1.00 0.00 H new ATOM 0 HB VAL R 55 23.818 7.119 4.713 1.00 0.00 H new ATOM 0 HG11 VAL R 55 25.728 7.294 3.147 1.00 0.00 H new ATOM 0 HG12 VAL R 55 24.863 8.843 3.287 1.00 0.00 H new ATOM 0 HG13 VAL R 55 26.412 8.611 4.130 1.00 0.00 H new ATOM 0 HG21 VAL R 55 25.883 5.770 5.102 1.00 0.00 H new ATOM 0 HG22 VAL R 55 26.544 7.083 6.105 1.00 0.00 H new ATOM 0 HG23 VAL R 55 25.097 6.195 6.641 1.00 0.00 H new ATOM 852 N ARG R 56 23.075 10.208 4.594 1.00 0.00 N ATOM 853 CA ARG R 56 22.852 11.446 3.792 1.00 0.00 C ATOM 854 C ARG R 56 22.869 12.710 4.650 1.00 0.00 C ATOM 855 O ARG R 56 23.584 13.645 4.344 1.00 0.00 O ATOM 856 CB ARG R 56 21.491 11.336 3.091 1.00 0.00 C ATOM 857 CG ARG R 56 21.691 10.783 1.674 1.00 0.00 C ATOM 858 CD ARG R 56 20.352 10.778 0.934 1.00 0.00 C ATOM 859 NE ARG R 56 20.584 10.354 -0.475 1.00 0.00 N ATOM 860 CZ ARG R 56 20.311 9.129 -0.828 1.00 0.00 C ATOM 861 NH1 ARG R 56 19.075 8.819 -1.109 1.00 0.00 N ATOM 862 NH2 ARG R 56 21.283 8.260 -0.898 1.00 0.00 N ATOM 0 H ARG R 56 22.295 9.551 4.617 1.00 0.00 H new ATOM 0 HA ARG R 56 23.666 11.529 3.072 1.00 0.00 H new ATOM 0 HB2 ARG R 56 20.829 10.682 3.658 1.00 0.00 H new ATOM 0 HB3 ARG R 56 21.012 12.314 3.047 1.00 0.00 H new ATOM 0 HG2 ARG R 56 22.415 11.392 1.133 1.00 0.00 H new ATOM 0 HG3 ARG R 56 22.097 9.772 1.721 1.00 0.00 H new ATOM 0 HD2 ARG R 56 19.653 10.099 1.422 1.00 0.00 H new ATOM 0 HD3 ARG R 56 19.902 11.771 0.960 1.00 0.00 H new ATOM 0 HE ARG R 56 20.953 11.016 -1.157 1.00 0.00 H new ATOM 0 HH11 ARG R 56 18.345 9.529 -1.050 1.00 0.00 H new ATOM 0 HH12 ARG R 56 18.839 7.867 -1.387 1.00 0.00 H new ATOM 0 HH21 ARG R 56 22.238 8.544 -0.678 1.00 0.00 H new ATOM 0 HH22 ARG R 56 21.088 7.297 -1.172 1.00 0.00 H new ATOM 876 N ILE R 57 22.088 12.731 5.699 1.00 0.00 N ATOM 877 CA ILE R 57 22.075 13.938 6.557 1.00 0.00 C ATOM 878 C ILE R 57 23.492 14.414 6.822 1.00 0.00 C ATOM 879 O ILE R 57 23.933 15.384 6.240 1.00 0.00 O ATOM 880 CB ILE R 57 21.424 13.598 7.891 1.00 0.00 C ATOM 881 CG1 ILE R 57 21.419 12.088 8.107 1.00 0.00 C ATOM 882 CG2 ILE R 57 19.980 14.111 7.859 1.00 0.00 C ATOM 883 CD1 ILE R 57 20.968 11.780 9.538 1.00 0.00 C ATOM 0 H ILE R 57 21.470 11.974 5.990 1.00 0.00 H new ATOM 0 HA ILE R 57 21.517 14.723 6.046 1.00 0.00 H new ATOM 0 HB ILE R 57 21.981 14.063 8.704 1.00 0.00 H new ATOM 0 HG12 ILE R 57 20.750 11.610 7.392 1.00 0.00 H new ATOM 0 HG13 ILE R 57 22.415 11.681 7.932 1.00 0.00 H new ATOM 0 HG21 ILE R 57 19.491 13.879 8.805 1.00 0.00 H new ATOM 0 HG22 ILE R 57 19.981 15.190 7.705 1.00 0.00 H new ATOM 0 HG23 ILE R 57 19.441 13.629 7.044 1.00 0.00 H new ATOM 0 HD11 ILE R 57 20.964 10.701 9.694 1.00 0.00 H new ATOM 0 HD12 ILE R 57 21.655 12.246 10.244 1.00 0.00 H new ATOM 0 HD13 ILE R 57 19.964 12.173 9.696 1.00 0.00 H new ATOM 895 N VAL R 58 24.164 13.715 7.699 1.00 0.00 N ATOM 896 CA VAL R 58 25.572 14.090 8.037 1.00 0.00 C ATOM 897 C VAL R 58 26.299 14.646 6.819 1.00 0.00 C ATOM 898 O VAL R 58 26.858 15.728 6.858 1.00 0.00 O ATOM 899 CB VAL R 58 26.305 12.825 8.495 1.00 0.00 C ATOM 900 CG1 VAL R 58 27.813 13.069 8.416 1.00 0.00 C ATOM 901 CG2 VAL R 58 25.917 12.508 9.941 1.00 0.00 C ATOM 0 H VAL R 58 23.801 12.902 8.196 1.00 0.00 H new ATOM 0 HA VAL R 58 25.557 14.853 8.816 1.00 0.00 H new ATOM 0 HB VAL R 58 26.031 11.987 7.855 1.00 0.00 H new ATOM 0 HG11 VAL R 58 28.344 12.174 8.740 1.00 0.00 H new ATOM 0 HG12 VAL R 58 28.090 13.303 7.388 1.00 0.00 H new ATOM 0 HG13 VAL R 58 28.081 13.904 9.063 1.00 0.00 H new ATOM 0 HG21 VAL R 58 26.438 11.608 10.268 1.00 0.00 H new ATOM 0 HG22 VAL R 58 26.196 13.343 10.584 1.00 0.00 H new ATOM 0 HG23 VAL R 58 24.841 12.347 10.002 1.00 0.00 H new ATOM 911 N GLU R 59 26.265 13.898 5.753 1.00 0.00 N ATOM 912 CA GLU R 59 26.946 14.359 4.520 1.00 0.00 C ATOM 913 C GLU R 59 26.339 15.661 4.004 1.00 0.00 C ATOM 914 O GLU R 59 26.901 16.725 4.171 1.00 0.00 O ATOM 915 CB GLU R 59 26.770 13.280 3.447 1.00 0.00 C ATOM 916 CG GLU R 59 27.194 13.846 2.090 1.00 0.00 C ATOM 917 CD GLU R 59 27.711 12.709 1.208 1.00 0.00 C ATOM 918 OE1 GLU R 59 27.100 11.655 1.271 1.00 0.00 O ATOM 919 OE2 GLU R 59 28.687 12.959 0.519 1.00 0.00 O ATOM 0 H GLU R 59 25.798 12.994 5.685 1.00 0.00 H new ATOM 0 HA GLU R 59 27.998 14.535 4.744 1.00 0.00 H new ATOM 0 HB2 GLU R 59 27.371 12.404 3.693 1.00 0.00 H new ATOM 0 HB3 GLU R 59 25.731 12.953 3.410 1.00 0.00 H new ATOM 0 HG2 GLU R 59 26.350 14.340 1.609 1.00 0.00 H new ATOM 0 HG3 GLU R 59 27.970 14.600 2.224 1.00 0.00 H new ATOM 926 N GLU R 60 25.199 15.549 3.384 1.00 0.00 N ATOM 927 CA GLU R 60 24.528 16.762 2.842 1.00 0.00 C ATOM 928 C GLU R 60 24.395 17.869 3.891 1.00 0.00 C ATOM 929 O GLU R 60 24.065 18.990 3.559 1.00 0.00 O ATOM 930 CB GLU R 60 23.121 16.365 2.385 1.00 0.00 C ATOM 931 CG GLU R 60 23.230 15.429 1.180 1.00 0.00 C ATOM 932 CD GLU R 60 21.830 14.942 0.798 1.00 0.00 C ATOM 933 OE1 GLU R 60 20.934 15.209 1.580 1.00 0.00 O ATOM 934 OE2 GLU R 60 21.736 14.333 -0.255 1.00 0.00 O ATOM 0 H GLU R 60 24.703 14.671 3.229 1.00 0.00 H new ATOM 0 HA GLU R 60 25.134 17.146 2.021 1.00 0.00 H new ATOM 0 HB2 GLU R 60 22.587 15.871 3.197 1.00 0.00 H new ATOM 0 HB3 GLU R 60 22.547 17.253 2.120 1.00 0.00 H new ATOM 0 HG2 GLU R 60 23.690 15.949 0.340 1.00 0.00 H new ATOM 0 HG3 GLU R 60 23.871 14.581 1.419 1.00 0.00 H new ATOM 941 N LEU R 61 24.649 17.552 5.129 1.00 0.00 N ATOM 942 CA LEU R 61 24.528 18.604 6.171 1.00 0.00 C ATOM 943 C LEU R 61 25.729 19.548 6.158 1.00 0.00 C ATOM 944 O LEU R 61 25.582 20.732 5.935 1.00 0.00 O ATOM 945 CB LEU R 61 24.435 17.936 7.549 1.00 0.00 C ATOM 946 CG LEU R 61 22.957 17.669 7.877 1.00 0.00 C ATOM 947 CD1 LEU R 61 22.860 16.825 9.152 1.00 0.00 C ATOM 948 CD2 LEU R 61 22.219 18.995 8.104 1.00 0.00 C ATOM 0 H LEU R 61 24.930 16.629 5.459 1.00 0.00 H new ATOM 0 HA LEU R 61 23.632 19.188 5.962 1.00 0.00 H new ATOM 0 HB2 LEU R 61 24.996 17.002 7.553 1.00 0.00 H new ATOM 0 HB3 LEU R 61 24.879 18.578 8.309 1.00 0.00 H new ATOM 0 HG LEU R 61 22.502 17.138 7.041 1.00 0.00 H new ATOM 0 HD11 LEU R 61 21.812 16.636 9.384 1.00 0.00 H new ATOM 0 HD12 LEU R 61 23.375 15.876 9.000 1.00 0.00 H new ATOM 0 HD13 LEU R 61 23.324 17.361 9.980 1.00 0.00 H new ATOM 0 HD21 LEU R 61 21.173 18.794 8.336 1.00 0.00 H new ATOM 0 HD22 LEU R 61 22.679 19.530 8.935 1.00 0.00 H new ATOM 0 HD23 LEU R 61 22.280 19.605 7.202 1.00 0.00 H new ATOM 1426 N PRO R 93 25.271 18.348 18.441 1.00 0.00 N ATOM 1427 CA PRO R 93 26.198 18.602 17.325 1.00 0.00 C ATOM 1428 C PRO R 93 27.599 18.925 17.844 1.00 0.00 C ATOM 1429 O PRO R 93 28.589 18.583 17.227 1.00 0.00 O ATOM 1430 CB PRO R 93 25.629 19.841 16.619 1.00 0.00 C ATOM 1431 CG PRO R 93 24.534 20.438 17.538 1.00 0.00 C ATOM 1432 CD PRO R 93 24.311 19.455 18.697 1.00 0.00 C ATOM 0 HA PRO R 93 26.284 17.734 16.671 1.00 0.00 H new ATOM 0 HB2 PRO R 93 26.416 20.573 16.435 1.00 0.00 H new ATOM 0 HB3 PRO R 93 25.211 19.572 15.649 1.00 0.00 H new ATOM 0 HG2 PRO R 93 24.842 21.413 17.917 1.00 0.00 H new ATOM 0 HG3 PRO R 93 23.609 20.590 16.982 1.00 0.00 H new ATOM 0 HD2 PRO R 93 24.500 19.929 19.660 1.00 0.00 H new ATOM 0 HD3 PRO R 93 23.283 19.092 18.717 1.00 0.00 H new ATOM 1440 N VAL R 94 27.652 19.592 18.966 1.00 0.00 N ATOM 1441 CA VAL R 94 28.972 19.949 19.548 1.00 0.00 C ATOM 1442 C VAL R 94 29.816 18.706 19.758 1.00 0.00 C ATOM 1443 O VAL R 94 31.020 18.779 19.889 1.00 0.00 O ATOM 1444 CB VAL R 94 28.729 20.632 20.899 1.00 0.00 C ATOM 1445 CG1 VAL R 94 30.041 20.687 21.682 1.00 0.00 C ATOM 1446 CG2 VAL R 94 28.221 22.056 20.656 1.00 0.00 C ATOM 0 H VAL R 94 26.841 19.903 19.500 1.00 0.00 H new ATOM 0 HA VAL R 94 29.503 20.614 18.868 1.00 0.00 H new ATOM 0 HB VAL R 94 27.989 20.070 21.469 1.00 0.00 H new ATOM 0 HG11 VAL R 94 29.871 21.172 22.643 1.00 0.00 H new ATOM 0 HG12 VAL R 94 30.409 19.674 21.847 1.00 0.00 H new ATOM 0 HG13 VAL R 94 30.780 21.254 21.115 1.00 0.00 H new ATOM 0 HG21 VAL R 94 28.046 22.548 21.613 1.00 0.00 H new ATOM 0 HG22 VAL R 94 28.966 22.616 20.091 1.00 0.00 H new ATOM 0 HG23 VAL R 94 27.289 22.019 20.091 1.00 0.00 H new ATOM 1456 N GLU R 95 29.162 17.586 19.786 1.00 0.00 N ATOM 1457 CA GLU R 95 29.902 16.323 19.984 1.00 0.00 C ATOM 1458 C GLU R 95 30.241 15.708 18.627 1.00 0.00 C ATOM 1459 O GLU R 95 31.098 14.852 18.522 1.00 0.00 O ATOM 1460 CB GLU R 95 28.998 15.358 20.758 1.00 0.00 C ATOM 1461 CG GLU R 95 28.457 16.067 22.006 1.00 0.00 C ATOM 1462 CD GLU R 95 28.097 15.025 23.066 1.00 0.00 C ATOM 1463 OE1 GLU R 95 27.401 14.094 22.695 1.00 0.00 O ATOM 1464 OE2 GLU R 95 28.536 15.218 24.190 1.00 0.00 O ATOM 0 H GLU R 95 28.152 17.492 19.681 1.00 0.00 H new ATOM 0 HA GLU R 95 30.825 16.511 20.533 1.00 0.00 H new ATOM 0 HB2 GLU R 95 28.173 15.027 20.127 1.00 0.00 H new ATOM 0 HB3 GLU R 95 29.557 14.467 21.044 1.00 0.00 H new ATOM 0 HG2 GLU R 95 29.204 16.758 22.398 1.00 0.00 H new ATOM 0 HG3 GLU R 95 27.579 16.659 21.749 1.00 0.00 H new ATOM 1471 N LEU R 96 29.566 16.178 17.609 1.00 0.00 N ATOM 1472 CA LEU R 96 29.823 15.643 16.244 1.00 0.00 C ATOM 1473 C LEU R 96 30.963 16.384 15.546 1.00 0.00 C ATOM 1474 O LEU R 96 31.807 15.764 14.922 1.00 0.00 O ATOM 1475 CB LEU R 96 28.531 15.799 15.420 1.00 0.00 C ATOM 1476 CG LEU R 96 28.776 15.385 13.960 1.00 0.00 C ATOM 1477 CD1 LEU R 96 29.379 13.978 13.911 1.00 0.00 C ATOM 1478 CD2 LEU R 96 27.437 15.373 13.218 1.00 0.00 C ATOM 0 H LEU R 96 28.853 16.905 17.666 1.00 0.00 H new ATOM 0 HA LEU R 96 30.117 14.597 16.327 1.00 0.00 H new ATOM 0 HB2 LEU R 96 27.740 15.185 15.851 1.00 0.00 H new ATOM 0 HB3 LEU R 96 28.189 16.833 15.459 1.00 0.00 H new ATOM 0 HG LEU R 96 29.464 16.091 13.495 1.00 0.00 H new ATOM 0 HD11 LEU R 96 29.550 13.691 12.873 1.00 0.00 H new ATOM 0 HD12 LEU R 96 30.326 13.969 14.451 1.00 0.00 H new ATOM 0 HD13 LEU R 96 28.691 13.271 14.374 1.00 0.00 H new ATOM 0 HD21 LEU R 96 27.599 15.081 12.180 1.00 0.00 H new ATOM 0 HD22 LEU R 96 26.763 14.661 13.695 1.00 0.00 H new ATOM 0 HD23 LEU R 96 26.995 16.369 13.250 1.00 0.00 H new ATOM 1490 N ARG R 97 30.984 17.684 15.651 1.00 0.00 N ATOM 1491 CA ARG R 97 32.081 18.418 14.982 1.00 0.00 C ATOM 1492 C ARG R 97 33.418 17.807 15.374 1.00 0.00 C ATOM 1493 O ARG R 97 34.403 17.982 14.696 1.00 0.00 O ATOM 1494 CB ARG R 97 32.073 19.896 15.400 1.00 0.00 C ATOM 1495 CG ARG R 97 30.840 20.222 16.242 1.00 0.00 C ATOM 1496 CD ARG R 97 30.782 21.743 16.421 1.00 0.00 C ATOM 1497 NE ARG R 97 32.116 22.221 16.888 1.00 0.00 N ATOM 1498 CZ ARG R 97 32.253 22.665 18.109 1.00 0.00 C ATOM 1499 NH1 ARG R 97 32.050 21.846 19.106 1.00 0.00 N ATOM 1500 NH2 ARG R 97 32.600 23.911 18.294 1.00 0.00 N ATOM 0 H ARG R 97 30.306 18.253 16.158 1.00 0.00 H new ATOM 0 HA ARG R 97 31.936 18.347 13.904 1.00 0.00 H new ATOM 0 HB2 ARG R 97 32.975 20.121 15.968 1.00 0.00 H new ATOM 0 HB3 ARG R 97 32.089 20.528 14.512 1.00 0.00 H new ATOM 0 HG2 ARG R 97 29.936 19.861 15.751 1.00 0.00 H new ATOM 0 HG3 ARG R 97 30.897 19.726 17.211 1.00 0.00 H new ATOM 0 HD2 ARG R 97 30.516 22.224 15.480 1.00 0.00 H new ATOM 0 HD3 ARG R 97 30.011 22.009 17.144 1.00 0.00 H new ATOM 0 HE ARG R 97 32.917 22.201 16.257 1.00 0.00 H new ATOM 0 HH11 ARG R 97 31.789 20.877 18.925 1.00 0.00 H new ATOM 0 HH12 ARG R 97 32.153 22.176 20.066 1.00 0.00 H new ATOM 0 HH21 ARG R 97 32.759 24.521 17.492 1.00 0.00 H new ATOM 0 HH22 ARG R 97 32.711 24.274 19.241 1.00 0.00 H new ATOM 1514 N GLN R 98 33.423 17.098 16.466 1.00 0.00 N ATOM 1515 CA GLN R 98 34.679 16.467 16.922 1.00 0.00 C ATOM 1516 C GLN R 98 35.333 15.651 15.808 1.00 0.00 C ATOM 1517 O GLN R 98 36.437 15.941 15.392 1.00 0.00 O ATOM 1518 CB GLN R 98 34.318 15.524 18.063 1.00 0.00 C ATOM 1519 CG GLN R 98 33.750 16.334 19.226 1.00 0.00 C ATOM 1520 CD GLN R 98 33.868 15.520 20.515 1.00 0.00 C ATOM 1521 OE1 GLN R 98 34.697 15.792 21.361 1.00 0.00 O ATOM 1522 NE2 GLN R 98 33.059 14.513 20.703 1.00 0.00 N ATOM 0 H GLN R 98 32.610 16.931 17.059 1.00 0.00 H new ATOM 0 HA GLN R 98 35.382 17.241 17.230 1.00 0.00 H new ATOM 0 HB2 GLN R 98 33.587 14.789 17.725 1.00 0.00 H new ATOM 0 HB3 GLN R 98 35.200 14.971 18.386 1.00 0.00 H new ATOM 0 HG2 GLN R 98 34.290 17.275 19.326 1.00 0.00 H new ATOM 0 HG3 GLN R 98 32.706 16.584 19.035 1.00 0.00 H new ATOM 0 HE21 GLN R 98 32.361 14.280 19.996 1.00 0.00 H new ATOM 0 HE22 GLN R 98 33.124 13.959 21.557 1.00 0.00 H new ATOM 1531 N TRP R 99 34.638 14.645 15.341 1.00 0.00 N ATOM 1532 CA TRP R 99 35.229 13.812 14.251 1.00 0.00 C ATOM 1533 C TRP R 99 34.913 14.363 12.872 1.00 0.00 C ATOM 1534 O TRP R 99 35.780 14.507 12.032 1.00 0.00 O ATOM 1535 CB TRP R 99 34.639 12.395 14.272 1.00 0.00 C ATOM 1536 CG TRP R 99 35.267 11.660 13.116 1.00 0.00 C ATOM 1537 CD1 TRP R 99 36.577 11.374 13.028 1.00 0.00 C ATOM 1538 CD2 TRP R 99 34.600 11.107 12.116 1.00 0.00 C ATOM 1539 NE1 TRP R 99 36.648 10.610 11.950 1.00 0.00 N ATOM 1540 CE2 TRP R 99 35.476 10.390 11.334 1.00 0.00 C ATOM 1541 CE3 TRP R 99 33.258 11.152 11.765 1.00 0.00 C ATOM 1542 CZ2 TRP R 99 35.034 9.713 10.250 1.00 0.00 C ATOM 1543 CZ3 TRP R 99 32.825 10.468 10.660 1.00 0.00 C ATOM 1544 CH2 TRP R 99 33.718 9.745 9.913 1.00 0.00 C ATOM 0 H TRP R 99 33.709 14.369 15.658 1.00 0.00 H new ATOM 0 HA TRP R 99 36.304 13.815 14.430 1.00 0.00 H new ATOM 0 HB2 TRP R 99 34.859 11.896 15.216 1.00 0.00 H new ATOM 0 HB3 TRP R 99 33.554 12.424 14.172 1.00 0.00 H new ATOM 0 HD1 TRP R 99 37.378 11.691 13.679 1.00 0.00 H new ATOM 0 HE1 TRP R 99 37.527 10.218 11.613 1.00 0.00 H new ATOM 0 HE3 TRP R 99 32.560 11.723 12.359 1.00 0.00 H new ATOM 0 HZ2 TRP R 99 35.729 9.145 9.650 1.00 0.00 H new ATOM 0 HZ3 TRP R 99 31.783 10.498 10.378 1.00 0.00 H new ATOM 0 HH2 TRP R 99 33.373 9.196 9.049 1.00 0.00 H new ATOM 1555 N LEU R 100 33.663 14.612 12.659 1.00 0.00 N ATOM 1556 CA LEU R 100 33.220 15.150 11.353 1.00 0.00 C ATOM 1557 C LEU R 100 34.149 16.237 10.785 1.00 0.00 C ATOM 1558 O LEU R 100 34.380 16.274 9.592 1.00 0.00 O ATOM 1559 CB LEU R 100 31.825 15.724 11.540 1.00 0.00 C ATOM 1560 CG LEU R 100 31.012 15.451 10.276 1.00 0.00 C ATOM 1561 CD1 LEU R 100 30.472 14.017 10.313 1.00 0.00 C ATOM 1562 CD2 LEU R 100 29.843 16.423 10.221 1.00 0.00 C ATOM 0 H LEU R 100 32.918 14.465 13.340 1.00 0.00 H new ATOM 0 HA LEU R 100 33.237 14.333 10.632 1.00 0.00 H new ATOM 0 HB2 LEU R 100 31.342 15.270 12.406 1.00 0.00 H new ATOM 0 HB3 LEU R 100 31.879 16.796 11.731 1.00 0.00 H new ATOM 0 HG LEU R 100 31.645 15.578 9.398 1.00 0.00 H new ATOM 0 HD11 LEU R 100 29.892 13.823 9.411 1.00 0.00 H new ATOM 0 HD12 LEU R 100 31.305 13.316 10.367 1.00 0.00 H new ATOM 0 HD13 LEU R 100 29.835 13.891 11.188 1.00 0.00 H new ATOM 0 HD21 LEU R 100 29.256 16.236 9.322 1.00 0.00 H new ATOM 0 HD22 LEU R 100 29.214 16.285 11.100 1.00 0.00 H new ATOM 0 HD23 LEU R 100 30.220 17.445 10.202 1.00 0.00 H new ATOM 1574 N GLU R 101 34.669 17.099 11.624 1.00 0.00 N ATOM 1575 CA GLU R 101 35.570 18.160 11.096 1.00 0.00 C ATOM 1576 C GLU R 101 36.815 17.549 10.462 1.00 0.00 C ATOM 1577 O GLU R 101 37.640 18.246 9.911 1.00 0.00 O ATOM 1578 CB GLU R 101 36.015 19.040 12.265 1.00 0.00 C ATOM 1579 CG GLU R 101 35.054 20.225 12.405 1.00 0.00 C ATOM 1580 CD GLU R 101 35.417 21.027 13.656 1.00 0.00 C ATOM 1581 OE1 GLU R 101 35.040 20.569 14.722 1.00 0.00 O ATOM 1582 OE2 GLU R 101 36.052 22.054 13.474 1.00 0.00 O ATOM 0 H GLU R 101 34.511 17.112 12.632 1.00 0.00 H new ATOM 0 HA GLU R 101 35.032 18.736 10.343 1.00 0.00 H new ATOM 0 HB2 GLU R 101 36.030 18.459 13.187 1.00 0.00 H new ATOM 0 HB3 GLU R 101 37.031 19.399 12.098 1.00 0.00 H new ATOM 0 HG2 GLU R 101 35.112 20.861 11.522 1.00 0.00 H new ATOM 0 HG3 GLU R 101 34.026 19.868 12.474 1.00 0.00 H new ATOM 1589 N GLU R 102 36.915 16.254 10.560 1.00 0.00 N ATOM 1590 CA GLU R 102 38.087 15.545 9.982 1.00 0.00 C ATOM 1591 C GLU R 102 37.678 14.660 8.812 1.00 0.00 C ATOM 1592 O GLU R 102 38.459 14.409 7.916 1.00 0.00 O ATOM 1593 CB GLU R 102 38.684 14.657 11.083 1.00 0.00 C ATOM 1594 CG GLU R 102 38.796 15.469 12.374 1.00 0.00 C ATOM 1595 CD GLU R 102 39.746 14.757 13.339 1.00 0.00 C ATOM 1596 OE1 GLU R 102 39.534 13.571 13.531 1.00 0.00 O ATOM 1597 OE2 GLU R 102 40.631 15.441 13.830 1.00 0.00 O ATOM 0 H GLU R 102 36.230 15.653 11.019 1.00 0.00 H new ATOM 0 HA GLU R 102 38.806 16.279 9.619 1.00 0.00 H new ATOM 0 HB2 GLU R 102 38.055 13.782 11.243 1.00 0.00 H new ATOM 0 HB3 GLU R 102 39.666 14.293 10.781 1.00 0.00 H new ATOM 0 HG2 GLU R 102 39.165 16.471 12.156 1.00 0.00 H new ATOM 0 HG3 GLU R 102 37.813 15.584 12.831 1.00 0.00 H new ATOM 1604 N VAL R 103 36.460 14.197 8.842 1.00 0.00 N ATOM 1605 CA VAL R 103 35.991 13.322 7.733 1.00 0.00 C ATOM 1606 C VAL R 103 35.464 14.112 6.530 1.00 0.00 C ATOM 1607 O VAL R 103 35.527 13.631 5.416 1.00 0.00 O ATOM 1608 CB VAL R 103 34.863 12.426 8.268 1.00 0.00 C ATOM 1609 CG1 VAL R 103 33.526 13.171 8.209 1.00 0.00 C ATOM 1610 CG2 VAL R 103 34.767 11.176 7.395 1.00 0.00 C ATOM 0 H VAL R 103 35.777 14.383 9.576 1.00 0.00 H new ATOM 0 HA VAL R 103 36.845 12.739 7.388 1.00 0.00 H new ATOM 0 HB VAL R 103 35.080 12.155 9.301 1.00 0.00 H new ATOM 0 HG11 VAL R 103 32.734 12.527 8.590 1.00 0.00 H new ATOM 0 HG12 VAL R 103 33.585 14.073 8.818 1.00 0.00 H new ATOM 0 HG13 VAL R 103 33.307 13.444 7.177 1.00 0.00 H new ATOM 0 HG21 VAL R 103 33.969 10.533 7.767 1.00 0.00 H new ATOM 0 HG22 VAL R 103 34.550 11.466 6.367 1.00 0.00 H new ATOM 0 HG23 VAL R 103 35.713 10.636 7.428 1.00 0.00 H new ATOM 1620 N LEU R 104 34.958 15.297 6.769 1.00 0.00 N ATOM 1621 CA LEU R 104 34.423 16.115 5.636 1.00 0.00 C ATOM 1622 C LEU R 104 35.199 17.417 5.435 1.00 0.00 C ATOM 1623 O LEU R 104 35.023 18.079 4.431 1.00 0.00 O ATOM 1624 CB LEU R 104 32.964 16.460 5.949 1.00 0.00 C ATOM 1625 CG LEU R 104 32.055 15.372 5.367 1.00 0.00 C ATOM 1626 CD1 LEU R 104 30.766 15.300 6.190 1.00 0.00 C ATOM 1627 CD2 LEU R 104 31.708 15.726 3.919 1.00 0.00 C ATOM 0 H LEU R 104 34.892 15.730 7.690 1.00 0.00 H new ATOM 0 HA LEU R 104 34.520 15.531 4.721 1.00 0.00 H new ATOM 0 HB2 LEU R 104 32.818 16.535 7.027 1.00 0.00 H new ATOM 0 HB3 LEU R 104 32.708 17.431 5.524 1.00 0.00 H new ATOM 0 HG LEU R 104 32.567 14.410 5.398 1.00 0.00 H new ATOM 0 HD11 LEU R 104 30.115 14.527 5.780 1.00 0.00 H new ATOM 0 HD12 LEU R 104 31.008 15.059 7.225 1.00 0.00 H new ATOM 0 HD13 LEU R 104 30.255 16.262 6.151 1.00 0.00 H new ATOM 0 HD21 LEU R 104 31.061 14.955 3.501 1.00 0.00 H new ATOM 0 HD22 LEU R 104 31.192 16.686 3.893 1.00 0.00 H new ATOM 0 HD23 LEU R 104 32.623 15.790 3.331 1.00 0.00 H new ATOM 1639 N LEU R 105 36.033 17.758 6.382 1.00 0.00 N ATOM 1640 CA LEU R 105 36.822 19.022 6.251 1.00 0.00 C ATOM 1641 C LEU R 105 38.312 18.723 6.080 1.00 0.00 C ATOM 1642 O LEU R 105 38.898 19.046 5.066 1.00 0.00 O ATOM 1643 CB LEU R 105 36.627 19.842 7.542 1.00 0.00 C ATOM 1644 CG LEU R 105 36.327 21.322 7.236 1.00 0.00 C ATOM 1645 CD1 LEU R 105 37.517 21.974 6.512 1.00 0.00 C ATOM 1646 CD2 LEU R 105 35.068 21.433 6.371 1.00 0.00 C ATOM 0 H LEU R 105 36.202 17.223 7.234 1.00 0.00 H new ATOM 0 HA LEU R 105 36.477 19.570 5.375 1.00 0.00 H new ATOM 0 HB2 LEU R 105 35.808 19.417 8.123 1.00 0.00 H new ATOM 0 HB3 LEU R 105 37.524 19.772 8.157 1.00 0.00 H new ATOM 0 HG LEU R 105 36.162 21.845 8.178 1.00 0.00 H new ATOM 0 HD11 LEU R 105 37.288 23.019 6.304 1.00 0.00 H new ATOM 0 HD12 LEU R 105 38.403 21.916 7.144 1.00 0.00 H new ATOM 0 HD13 LEU R 105 37.704 21.450 5.575 1.00 0.00 H new ATOM 0 HD21 LEU R 105 34.863 22.482 6.159 1.00 0.00 H new ATOM 0 HD22 LEU R 105 35.222 20.897 5.434 1.00 0.00 H new ATOM 0 HD23 LEU R 105 34.222 20.998 6.903 1.00 0.00 H new ATOM 1871 N HIS S 16 25.070 -0.415 -5.302 1.00 0.00 N ATOM 1872 CA HIS S 16 26.053 -0.715 -4.228 1.00 0.00 C ATOM 1873 C HIS S 16 26.926 0.503 -3.934 1.00 0.00 C ATOM 1874 O HIS S 16 27.663 0.526 -2.970 1.00 0.00 O ATOM 1875 CB HIS S 16 26.952 -1.868 -4.697 1.00 0.00 C ATOM 1876 CG HIS S 16 26.907 -1.978 -6.224 1.00 0.00 C ATOM 1877 ND1 HIS S 16 26.157 -2.767 -6.878 1.00 0.00 N ATOM 1878 CD2 HIS S 16 27.639 -1.306 -7.186 1.00 0.00 C ATOM 1879 CE1 HIS S 16 26.360 -2.645 -8.135 1.00 0.00 C ATOM 1880 NE2 HIS S 16 27.283 -1.737 -8.408 1.00 0.00 N ATOM 0 HA HIS S 16 25.514 -0.985 -3.320 1.00 0.00 H new ATOM 0 HB2 HIS S 16 27.977 -1.699 -4.366 1.00 0.00 H new ATOM 0 HB3 HIS S 16 26.622 -2.804 -4.247 1.00 0.00 H new ATOM 0 HD2 HIS S 16 28.384 -0.550 -6.986 1.00 0.00 H new ATOM 0 HE1 HIS S 16 25.838 -3.218 -8.887 1.00 0.00 H new ATOM 0 HE2 HIS S 16 27.636 -1.439 -9.318 1.00 0.00 H new ATOM 1888 N GLN S 17 26.828 1.493 -4.777 1.00 0.00 N ATOM 1889 CA GLN S 17 27.643 2.718 -4.566 1.00 0.00 C ATOM 1890 C GLN S 17 27.568 3.182 -3.112 1.00 0.00 C ATOM 1891 O GLN S 17 28.487 2.983 -2.344 1.00 0.00 O ATOM 1892 CB GLN S 17 27.085 3.824 -5.475 1.00 0.00 C ATOM 1893 CG GLN S 17 27.249 3.395 -6.933 1.00 0.00 C ATOM 1894 CD GLN S 17 26.643 4.457 -7.854 1.00 0.00 C ATOM 1895 OE1 GLN S 17 27.258 4.889 -8.810 1.00 0.00 O ATOM 1896 NE2 GLN S 17 25.442 4.902 -7.603 1.00 0.00 N ATOM 0 H GLN S 17 26.222 1.506 -5.598 1.00 0.00 H new ATOM 0 HA GLN S 17 28.685 2.502 -4.802 1.00 0.00 H new ATOM 0 HB2 GLN S 17 26.033 4.002 -5.250 1.00 0.00 H new ATOM 0 HB3 GLN S 17 27.612 4.761 -5.296 1.00 0.00 H new ATOM 0 HG2 GLN S 17 28.305 3.258 -7.165 1.00 0.00 H new ATOM 0 HG3 GLN S 17 26.759 2.435 -7.097 1.00 0.00 H new ATOM 0 HE21 GLN S 17 24.922 4.543 -6.802 1.00 0.00 H new ATOM 0 HE22 GLN S 17 25.023 5.609 -8.208 1.00 0.00 H new ATOM 1905 N GLU S 18 26.468 3.787 -2.768 1.00 0.00 N ATOM 1906 CA GLU S 18 26.289 4.281 -1.371 1.00 0.00 C ATOM 1907 C GLU S 18 26.739 3.248 -0.341 1.00 0.00 C ATOM 1908 O GLU S 18 27.664 3.467 0.417 1.00 0.00 O ATOM 1909 CB GLU S 18 24.792 4.529 -1.134 1.00 0.00 C ATOM 1910 CG GLU S 18 24.233 5.443 -2.221 1.00 0.00 C ATOM 1911 CD GLU S 18 23.008 4.779 -2.851 1.00 0.00 C ATOM 1912 OE1 GLU S 18 22.194 4.299 -2.077 1.00 0.00 O ATOM 1913 OE2 GLU S 18 22.954 4.784 -4.069 1.00 0.00 O ATOM 0 H GLU S 18 25.682 3.963 -3.393 1.00 0.00 H new ATOM 0 HA GLU S 18 26.887 5.185 -1.257 1.00 0.00 H new ATOM 0 HB2 GLU S 18 24.254 3.581 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU S 18 24.641 4.982 -0.154 1.00 0.00 H new ATOM 0 HG2 GLU S 18 23.960 6.409 -1.797 1.00 0.00 H new ATOM 0 HG3 GLU S 18 24.991 5.631 -2.981 1.00 0.00 H new ATOM 1920 N TRP S 19 26.036 2.154 -0.329 1.00 0.00 N ATOM 1921 CA TRP S 19 26.350 1.050 0.624 1.00 0.00 C ATOM 1922 C TRP S 19 27.855 0.787 0.740 1.00 0.00 C ATOM 1923 O TRP S 19 28.281 0.076 1.628 1.00 0.00 O ATOM 1924 CB TRP S 19 25.655 -0.205 0.093 1.00 0.00 C ATOM 1925 CG TRP S 19 25.828 -1.356 1.081 1.00 0.00 C ATOM 1926 CD1 TRP S 19 26.776 -2.304 0.990 1.00 0.00 C ATOM 1927 CD2 TRP S 19 25.026 -1.605 2.115 1.00 0.00 C ATOM 1928 NE1 TRP S 19 26.499 -3.122 2.004 1.00 0.00 N ATOM 1929 CE2 TRP S 19 25.428 -2.765 2.754 1.00 0.00 C ATOM 1930 CE3 TRP S 19 23.927 -0.907 2.592 1.00 0.00 C ATOM 1931 CZ2 TRP S 19 24.740 -3.227 3.851 1.00 0.00 C ATOM 1932 CZ3 TRP S 19 23.237 -1.376 3.693 1.00 0.00 C ATOM 1933 CH2 TRP S 19 23.647 -2.535 4.320 1.00 0.00 C ATOM 0 H TRP S 19 25.245 1.972 -0.947 1.00 0.00 H new ATOM 0 HA TRP S 19 26.003 1.326 1.620 1.00 0.00 H new ATOM 0 HB2 TRP S 19 24.595 -0.005 -0.063 1.00 0.00 H new ATOM 0 HB3 TRP S 19 26.073 -0.480 -0.875 1.00 0.00 H new ATOM 0 HD1 TRP S 19 27.574 -2.384 0.266 1.00 0.00 H new ATOM 0 HE1 TRP S 19 27.052 -3.956 2.202 1.00 0.00 H new ATOM 0 HE3 TRP S 19 23.611 0.003 2.103 1.00 0.00 H new ATOM 0 HZ2 TRP S 19 25.058 -4.133 4.345 1.00 0.00 H new ATOM 0 HZ3 TRP S 19 22.378 -0.836 4.063 1.00 0.00 H new ATOM 0 HH2 TRP S 19 23.108 -2.900 5.182 1.00 0.00 H new ATOM 1944 N LEU S 20 28.625 1.348 -0.156 1.00 0.00 N ATOM 1945 CA LEU S 20 30.102 1.131 -0.098 1.00 0.00 C ATOM 1946 C LEU S 20 30.859 2.438 0.148 1.00 0.00 C ATOM 1947 O LEU S 20 31.452 2.636 1.191 1.00 0.00 O ATOM 1948 CB LEU S 20 30.561 0.561 -1.447 1.00 0.00 C ATOM 1949 CG LEU S 20 30.100 -0.897 -1.583 1.00 0.00 C ATOM 1950 CD1 LEU S 20 30.390 -1.372 -3.008 1.00 0.00 C ATOM 1951 CD2 LEU S 20 30.863 -1.790 -0.594 1.00 0.00 C ATOM 0 H LEU S 20 28.299 1.942 -0.919 1.00 0.00 H new ATOM 0 HA LEU S 20 30.314 0.448 0.725 1.00 0.00 H new ATOM 0 HB2 LEU S 20 30.152 1.158 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU S 20 31.647 0.617 -1.525 1.00 0.00 H new ATOM 0 HG LEU S 20 29.033 -0.959 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU S 20 30.067 -2.407 -3.119 1.00 0.00 H new ATOM 0 HD12 LEU S 20 29.850 -0.745 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU S 20 31.460 -1.302 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU S 20 30.527 -2.821 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU S 20 31.931 -1.733 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU S 20 30.673 -1.450 0.424 1.00 0.00 H new ATOM 1963 N ARG S 21 30.815 3.304 -0.826 1.00 0.00 N ATOM 1964 CA ARG S 21 31.518 4.613 -0.707 1.00 0.00 C ATOM 1965 C ARG S 21 31.291 5.315 0.637 1.00 0.00 C ATOM 1966 O ARG S 21 32.237 5.779 1.243 1.00 0.00 O ATOM 1967 CB ARG S 21 31.021 5.513 -1.841 1.00 0.00 C ATOM 1968 CG ARG S 21 31.266 4.793 -3.171 1.00 0.00 C ATOM 1969 CD ARG S 21 31.000 5.748 -4.334 1.00 0.00 C ATOM 1970 NE ARG S 21 31.462 5.103 -5.596 1.00 0.00 N ATOM 1971 CZ ARG S 21 32.208 5.779 -6.428 1.00 0.00 C ATOM 1972 NH1 ARG S 21 31.634 6.588 -7.275 1.00 0.00 N ATOM 1973 NH2 ARG S 21 33.503 5.622 -6.384 1.00 0.00 N ATOM 0 H ARG S 21 30.319 3.160 -1.706 1.00 0.00 H new ATOM 0 HA ARG S 21 32.589 4.423 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG S 21 29.960 5.729 -1.716 1.00 0.00 H new ATOM 0 HB3 ARG S 21 31.545 6.469 -1.825 1.00 0.00 H new ATOM 0 HG2 ARG S 21 32.293 4.430 -3.214 1.00 0.00 H new ATOM 0 HG3 ARG S 21 30.616 3.921 -3.248 1.00 0.00 H new ATOM 0 HD2 ARG S 21 29.937 5.981 -4.396 1.00 0.00 H new ATOM 0 HD3 ARG S 21 31.525 6.690 -4.177 1.00 0.00 H new ATOM 0 HE ARG S 21 31.198 4.141 -5.808 1.00 0.00 H new ATOM 0 HH11 ARG S 21 30.619 6.685 -7.280 1.00 0.00 H new ATOM 0 HH12 ARG S 21 32.201 7.124 -7.932 1.00 0.00 H new ATOM 0 HH21 ARG S 21 33.916 4.980 -5.708 1.00 0.00 H new ATOM 0 HH22 ARG S 21 34.102 6.141 -7.026 1.00 0.00 H new ATOM 1987 N PHE S 22 30.067 5.395 1.093 1.00 0.00 N ATOM 1988 CA PHE S 22 29.846 6.081 2.402 1.00 0.00 C ATOM 1989 C PHE S 22 30.097 5.129 3.570 1.00 0.00 C ATOM 1990 O PHE S 22 30.798 5.459 4.514 1.00 0.00 O ATOM 1991 CB PHE S 22 28.395 6.573 2.483 1.00 0.00 C ATOM 1992 CG PHE S 22 28.054 7.463 1.279 1.00 0.00 C ATOM 1993 CD1 PHE S 22 28.807 8.589 0.989 1.00 0.00 C ATOM 1994 CD2 PHE S 22 26.969 7.160 0.478 1.00 0.00 C ATOM 1995 CE1 PHE S 22 28.477 9.394 -0.086 1.00 0.00 C ATOM 1996 CE2 PHE S 22 26.641 7.962 -0.596 1.00 0.00 C ATOM 1997 CZ PHE S 22 27.395 9.079 -0.877 1.00 0.00 C ATOM 0 H PHE S 22 29.234 5.028 0.633 1.00 0.00 H new ATOM 0 HA PHE S 22 30.542 6.918 2.466 1.00 0.00 H new ATOM 0 HB2 PHE S 22 27.718 5.719 2.514 1.00 0.00 H new ATOM 0 HB3 PHE S 22 28.246 7.131 3.407 1.00 0.00 H new ATOM 0 HD1 PHE S 22 29.657 8.840 1.606 1.00 0.00 H new ATOM 0 HD2 PHE S 22 26.372 6.287 0.695 1.00 0.00 H new ATOM 0 HE1 PHE S 22 29.069 10.271 -0.305 1.00 0.00 H new ATOM 0 HE2 PHE S 22 25.793 7.713 -1.216 1.00 0.00 H new ATOM 0 HZ PHE S 22 27.138 9.707 -1.717 1.00 0.00 H new ATOM 2007 N VAL S 23 29.510 3.969 3.499 1.00 0.00 N ATOM 2008 CA VAL S 23 29.714 2.996 4.598 1.00 0.00 C ATOM 2009 C VAL S 23 31.204 2.875 4.908 1.00 0.00 C ATOM 2010 O VAL S 23 31.595 2.377 5.945 1.00 0.00 O ATOM 2011 CB VAL S 23 29.159 1.639 4.146 1.00 0.00 C ATOM 2012 CG1 VAL S 23 29.182 0.657 5.322 1.00 0.00 C ATOM 2013 CG2 VAL S 23 27.715 1.845 3.679 1.00 0.00 C ATOM 0 H VAL S 23 28.906 3.658 2.738 1.00 0.00 H new ATOM 0 HA VAL S 23 29.199 3.328 5.499 1.00 0.00 H new ATOM 0 HB VAL S 23 29.765 1.234 3.335 1.00 0.00 H new ATOM 0 HG11 VAL S 23 28.787 -0.306 4.999 1.00 0.00 H new ATOM 0 HG12 VAL S 23 30.207 0.531 5.671 1.00 0.00 H new ATOM 0 HG13 VAL S 23 28.568 1.047 6.134 1.00 0.00 H new ATOM 0 HG21 VAL S 23 27.299 0.892 3.352 1.00 0.00 H new ATOM 0 HG22 VAL S 23 27.119 2.238 4.503 1.00 0.00 H new ATOM 0 HG23 VAL S 23 27.698 2.552 2.849 1.00 0.00 H new ATOM 2023 N ASP S 24 32.010 3.345 3.994 1.00 0.00 N ATOM 2024 CA ASP S 24 33.475 3.276 4.208 1.00 0.00 C ATOM 2025 C ASP S 24 33.884 4.281 5.279 1.00 0.00 C ATOM 2026 O ASP S 24 34.713 3.994 6.122 1.00 0.00 O ATOM 2027 CB ASP S 24 34.181 3.637 2.896 1.00 0.00 C ATOM 2028 CG ASP S 24 35.190 2.544 2.548 1.00 0.00 C ATOM 2029 OD1 ASP S 24 34.751 1.568 1.961 1.00 0.00 O ATOM 2030 OD2 ASP S 24 36.345 2.744 2.887 1.00 0.00 O ATOM 0 H ASP S 24 31.715 3.770 3.115 1.00 0.00 H new ATOM 0 HA ASP S 24 33.752 2.271 4.526 1.00 0.00 H new ATOM 0 HB2 ASP S 24 33.451 3.742 2.094 1.00 0.00 H new ATOM 0 HB3 ASP S 24 34.687 4.597 2.994 1.00 0.00 H new ATOM 2035 N LEU S 25 33.294 5.447 5.227 1.00 0.00 N ATOM 2036 CA LEU S 25 33.640 6.476 6.239 1.00 0.00 C ATOM 2037 C LEU S 25 33.124 6.033 7.600 1.00 0.00 C ATOM 2038 O LEU S 25 33.660 6.402 8.624 1.00 0.00 O ATOM 2039 CB LEU S 25 32.972 7.804 5.852 1.00 0.00 C ATOM 2040 CG LEU S 25 33.213 8.074 4.365 1.00 0.00 C ATOM 2041 CD1 LEU S 25 32.796 9.509 4.037 1.00 0.00 C ATOM 2042 CD2 LEU S 25 34.701 7.903 4.055 1.00 0.00 C ATOM 0 H LEU S 25 32.597 5.725 4.536 1.00 0.00 H new ATOM 0 HA LEU S 25 34.722 6.605 6.281 1.00 0.00 H new ATOM 0 HB2 LEU S 25 31.902 7.760 6.057 1.00 0.00 H new ATOM 0 HB3 LEU S 25 33.379 8.618 6.452 1.00 0.00 H new ATOM 0 HG LEU S 25 32.628 7.374 3.768 1.00 0.00 H new ATOM 0 HD11 LEU S 25 32.967 9.704 2.978 1.00 0.00 H new ATOM 0 HD12 LEU S 25 31.738 9.642 4.265 1.00 0.00 H new ATOM 0 HD13 LEU S 25 33.386 10.205 4.634 1.00 0.00 H new ATOM 0 HD21 LEU S 25 34.876 8.095 2.996 1.00 0.00 H new ATOM 0 HD22 LEU S 25 35.280 8.607 4.652 1.00 0.00 H new ATOM 0 HD23 LEU S 25 35.008 6.885 4.295 1.00 0.00 H new ATOM 2054 N LEU S 26 32.081 5.250 7.586 1.00 0.00 N ATOM 2055 CA LEU S 26 31.525 4.777 8.879 1.00 0.00 C ATOM 2056 C LEU S 26 32.632 4.091 9.679 1.00 0.00 C ATOM 2057 O LEU S 26 32.683 4.193 10.888 1.00 0.00 O ATOM 2058 CB LEU S 26 30.405 3.757 8.588 1.00 0.00 C ATOM 2059 CG LEU S 26 29.046 4.238 9.135 1.00 0.00 C ATOM 2060 CD1 LEU S 26 29.157 4.554 10.633 1.00 0.00 C ATOM 2061 CD2 LEU S 26 28.572 5.487 8.369 1.00 0.00 C ATOM 0 H LEU S 26 31.598 4.923 6.749 1.00 0.00 H new ATOM 0 HA LEU S 26 31.129 5.618 9.448 1.00 0.00 H new ATOM 0 HB2 LEU S 26 30.329 3.596 7.513 1.00 0.00 H new ATOM 0 HB3 LEU S 26 30.660 2.797 9.037 1.00 0.00 H new ATOM 0 HG LEU S 26 28.316 3.441 8.995 1.00 0.00 H new ATOM 0 HD11 LEU S 26 28.190 4.892 11.006 1.00 0.00 H new ATOM 0 HD12 LEU S 26 29.460 3.657 11.173 1.00 0.00 H new ATOM 0 HD13 LEU S 26 29.899 5.337 10.786 1.00 0.00 H new ATOM 0 HD21 LEU S 26 27.611 5.815 8.766 1.00 0.00 H new ATOM 0 HD22 LEU S 26 29.305 6.285 8.486 1.00 0.00 H new ATOM 0 HD23 LEU S 26 28.464 5.246 7.311 1.00 0.00 H new ATOM 2073 N LYS S 27 33.503 3.410 8.983 1.00 0.00 N ATOM 2074 CA LYS S 27 34.615 2.712 9.681 1.00 0.00 C ATOM 2075 C LYS S 27 35.610 3.737 10.228 1.00 0.00 C ATOM 2076 O LYS S 27 36.010 3.673 11.373 1.00 0.00 O ATOM 2077 CB LYS S 27 35.334 1.812 8.669 1.00 0.00 C ATOM 2078 CG LYS S 27 34.287 1.141 7.772 1.00 0.00 C ATOM 2079 CD LYS S 27 34.904 -0.079 7.075 1.00 0.00 C ATOM 2080 CE LYS S 27 35.965 0.373 6.066 1.00 0.00 C ATOM 2081 NZ LYS S 27 37.317 -0.067 6.508 1.00 0.00 N ATOM 0 H LYS S 27 33.491 3.309 7.968 1.00 0.00 H new ATOM 0 HA LYS S 27 34.218 2.121 10.506 1.00 0.00 H new ATOM 0 HB2 LYS S 27 36.026 2.400 8.066 1.00 0.00 H new ATOM 0 HB3 LYS S 27 35.925 1.058 9.188 1.00 0.00 H new ATOM 0 HG2 LYS S 27 33.427 0.835 8.368 1.00 0.00 H new ATOM 0 HG3 LYS S 27 33.923 1.850 7.029 1.00 0.00 H new ATOM 0 HD2 LYS S 27 35.353 -0.742 7.815 1.00 0.00 H new ATOM 0 HD3 LYS S 27 34.127 -0.649 6.566 1.00 0.00 H new ATOM 0 HE2 LYS S 27 35.743 -0.043 5.083 1.00 0.00 H new ATOM 0 HE3 LYS S 27 35.943 1.458 5.966 1.00 0.00 H new ATOM 0 HZ1 LYS S 27 37.961 -0.083 5.692 1.00 0.00 H new ATOM 0 HZ2 LYS S 27 37.681 0.595 7.223 1.00 0.00 H new ATOM 0 HZ3 LYS S 27 37.255 -1.021 6.918 1.00 0.00 H new ATOM 2095 N ASN S 28 35.985 4.667 9.388 1.00 0.00 N ATOM 2096 CA ASN S 28 36.953 5.712 9.824 1.00 0.00 C ATOM 2097 C ASN S 28 36.604 6.248 11.211 1.00 0.00 C ATOM 2098 O ASN S 28 37.458 6.365 12.067 1.00 0.00 O ATOM 2099 CB ASN S 28 36.893 6.868 8.822 1.00 0.00 C ATOM 2100 CG ASN S 28 37.574 6.449 7.519 1.00 0.00 C ATOM 2101 OD1 ASN S 28 37.749 7.242 6.616 1.00 0.00 O ATOM 2102 ND2 ASN S 28 37.973 5.216 7.383 1.00 0.00 N ATOM 0 H ASN S 28 35.663 4.746 8.423 1.00 0.00 H new ATOM 0 HA ASN S 28 37.950 5.273 9.866 1.00 0.00 H new ATOM 0 HB2 ASN S 28 35.856 7.144 8.630 1.00 0.00 H new ATOM 0 HB3 ASN S 28 37.386 7.748 9.236 1.00 0.00 H new ATOM 0 HD21 ASN S 28 38.430 4.920 6.521 1.00 0.00 H new ATOM 0 HD22 ASN S 28 37.828 4.547 8.139 1.00 0.00 H new ATOM 2109 N ALA S 29 35.353 6.571 11.407 1.00 0.00 N ATOM 2110 CA ALA S 29 34.935 7.100 12.734 1.00 0.00 C ATOM 2111 C ALA S 29 35.039 6.016 13.803 1.00 0.00 C ATOM 2112 O ALA S 29 35.552 6.254 14.877 1.00 0.00 O ATOM 2113 CB ALA S 29 33.475 7.560 12.623 1.00 0.00 C ATOM 0 H ALA S 29 34.611 6.492 10.712 1.00 0.00 H new ATOM 0 HA ALA S 29 35.585 7.927 13.018 1.00 0.00 H new ATOM 0 HB1 ALA S 29 33.143 7.953 13.584 1.00 0.00 H new ATOM 0 HB2 ALA S 29 33.396 8.340 11.865 1.00 0.00 H new ATOM 0 HB3 ALA S 29 32.848 6.715 12.341 1.00 0.00 H new ATOM 2119 N TYR S 30 34.550 4.842 13.496 1.00 0.00 N ATOM 2120 CA TYR S 30 34.627 3.750 14.501 1.00 0.00 C ATOM 2121 C TYR S 30 36.050 3.603 15.013 1.00 0.00 C ATOM 2122 O TYR S 30 36.394 4.210 16.005 1.00 0.00 O ATOM 2123 CB TYR S 30 34.206 2.420 13.854 1.00 0.00 C ATOM 2124 CG TYR S 30 32.770 2.071 14.256 1.00 0.00 C ATOM 2125 CD1 TYR S 30 32.498 1.586 15.518 1.00 0.00 C ATOM 2126 CD2 TYR S 30 31.733 2.191 13.352 1.00 0.00 C ATOM 2127 CE1 TYR S 30 31.215 1.223 15.870 1.00 0.00 C ATOM 2128 CE2 TYR S 30 30.450 1.831 13.705 1.00 0.00 C ATOM 2129 CZ TYR S 30 30.180 1.343 14.966 1.00 0.00 C ATOM 2130 OH TYR S 30 28.895 0.989 15.322 1.00 0.00 O ATOM 0 H TYR S 30 34.109 4.598 12.609 1.00 0.00 H new ATOM 0 HA TYR S 30 33.962 3.997 15.328 1.00 0.00 H new ATOM 0 HB2 TYR S 30 34.280 2.495 12.769 1.00 0.00 H new ATOM 0 HB3 TYR S 30 34.883 1.625 14.166 1.00 0.00 H new ATOM 0 HD1 TYR S 30 33.298 1.490 16.238 1.00 0.00 H new ATOM 0 HD2 TYR S 30 31.929 2.570 12.360 1.00 0.00 H new ATOM 0 HE1 TYR S 30 31.019 0.842 16.861 1.00 0.00 H new ATOM 0 HE2 TYR S 30 29.649 1.932 12.987 1.00 0.00 H new ATOM 0 HH TYR S 30 28.292 1.139 14.564 1.00 0.00 H new ATOM 2140 N GLN S 31 36.845 2.875 14.249 1.00 0.00 N ATOM 2141 CA GLN S 31 38.279 2.613 14.594 1.00 0.00 C ATOM 2142 C GLN S 31 38.816 3.564 15.645 1.00 0.00 C ATOM 2143 O GLN S 31 39.162 3.162 16.738 1.00 0.00 O ATOM 2144 CB GLN S 31 39.107 2.776 13.317 1.00 0.00 C ATOM 2145 CG GLN S 31 40.592 2.683 13.674 1.00 0.00 C ATOM 2146 CD GLN S 31 41.388 2.305 12.425 1.00 0.00 C ATOM 2147 OE1 GLN S 31 42.517 1.864 12.505 1.00 0.00 O ATOM 2148 NE2 GLN S 31 40.835 2.461 11.255 1.00 0.00 N ATOM 0 H GLN S 31 36.544 2.442 13.376 1.00 0.00 H new ATOM 0 HA GLN S 31 38.348 1.606 15.005 1.00 0.00 H new ATOM 0 HB2 GLN S 31 38.844 2.002 12.596 1.00 0.00 H new ATOM 0 HB3 GLN S 31 38.891 3.736 12.848 1.00 0.00 H new ATOM 0 HG2 GLN S 31 40.943 3.636 14.069 1.00 0.00 H new ATOM 0 HG3 GLN S 31 40.744 1.939 14.456 1.00 0.00 H new ATOM 0 HE21 GLN S 31 39.887 2.831 11.184 1.00 0.00 H new ATOM 0 HE22 GLN S 31 41.350 2.213 10.410 1.00 0.00 H new ATOM 2157 N ASN S 32 38.878 4.805 15.296 1.00 0.00 N ATOM 2158 CA ASN S 32 39.385 5.806 16.249 1.00 0.00 C ATOM 2159 C ASN S 32 38.345 6.081 17.314 1.00 0.00 C ATOM 2160 O ASN S 32 38.305 7.166 17.857 1.00 0.00 O ATOM 2161 CB ASN S 32 39.615 7.097 15.499 1.00 0.00 C ATOM 2162 CG ASN S 32 40.719 6.899 14.456 1.00 0.00 C ATOM 2163 OD1 ASN S 32 40.455 6.647 13.298 1.00 0.00 O ATOM 2164 ND2 ASN S 32 41.967 7.004 14.827 1.00 0.00 N ATOM 0 H ASN S 32 38.598 5.171 14.386 1.00 0.00 H new ATOM 0 HA ASN S 32 40.301 5.435 16.708 1.00 0.00 H new ATOM 0 HB2 ASN S 32 38.693 7.414 15.011 1.00 0.00 H new ATOM 0 HB3 ASN S 32 39.896 7.888 16.195 1.00 0.00 H new ATOM 0 HD21 ASN S 32 42.714 6.874 14.145 1.00 0.00 H new ATOM 0 HD22 ASN S 32 42.194 7.216 15.799 1.00 0.00 H new ATOM 2171 N ASP S 33 37.583 5.069 17.642 1.00 0.00 N ATOM 2172 CA ASP S 33 36.523 5.226 18.668 1.00 0.00 C ATOM 2173 C ASP S 33 35.935 6.635 18.661 1.00 0.00 C ATOM 2174 O ASP S 33 35.419 7.115 19.652 1.00 0.00 O ATOM 2175 CB ASP S 33 37.214 5.012 19.994 1.00 0.00 C ATOM 2176 CG ASP S 33 36.956 3.588 20.491 1.00 0.00 C ATOM 2177 OD1 ASP S 33 35.787 3.255 20.596 1.00 0.00 O ATOM 2178 OD2 ASP S 33 37.943 2.915 20.737 1.00 0.00 O ATOM 0 H ASP S 33 37.655 4.136 17.237 1.00 0.00 H new ATOM 0 HA ASP S 33 35.708 4.527 18.480 1.00 0.00 H new ATOM 0 HB2 ASP S 33 38.286 5.181 19.887 1.00 0.00 H new ATOM 0 HB3 ASP S 33 36.849 5.734 20.725 1.00 0.00 H new ATOM 2183 N LEU S 34 35.997 7.254 17.520 1.00 0.00 N ATOM 2184 CA LEU S 34 35.459 8.629 17.411 1.00 0.00 C ATOM 2185 C LEU S 34 34.050 8.592 16.849 1.00 0.00 C ATOM 2186 O LEU S 34 33.522 9.593 16.404 1.00 0.00 O ATOM 2187 CB LEU S 34 36.374 9.419 16.467 1.00 0.00 C ATOM 2188 CG LEU S 34 37.087 10.534 17.246 1.00 0.00 C ATOM 2189 CD1 LEU S 34 38.124 9.922 18.192 1.00 0.00 C ATOM 2190 CD2 LEU S 34 37.810 11.443 16.255 1.00 0.00 C ATOM 0 H LEU S 34 36.395 6.869 16.664 1.00 0.00 H new ATOM 0 HA LEU S 34 35.425 9.101 18.393 1.00 0.00 H new ATOM 0 HB2 LEU S 34 37.108 8.752 16.015 1.00 0.00 H new ATOM 0 HB3 LEU S 34 35.789 9.848 15.653 1.00 0.00 H new ATOM 0 HG LEU S 34 36.354 11.100 17.821 1.00 0.00 H new ATOM 0 HD11 LEU S 34 38.628 10.716 18.743 1.00 0.00 H new ATOM 0 HD12 LEU S 34 37.626 9.253 18.894 1.00 0.00 H new ATOM 0 HD13 LEU S 34 38.857 9.360 17.614 1.00 0.00 H new ATOM 0 HD21 LEU S 34 38.320 12.239 16.797 1.00 0.00 H new ATOM 0 HD22 LEU S 34 38.540 10.861 15.693 1.00 0.00 H new ATOM 0 HD23 LEU S 34 37.086 11.879 15.566 1.00 0.00 H new ATOM 2202 N HIS S 35 33.470 7.429 16.884 1.00 0.00 N ATOM 2203 CA HIS S 35 32.086 7.294 16.356 1.00 0.00 C ATOM 2204 C HIS S 35 31.041 7.509 17.440 1.00 0.00 C ATOM 2205 O HIS S 35 29.867 7.576 17.155 1.00 0.00 O ATOM 2206 CB HIS S 35 31.906 5.878 15.809 1.00 0.00 C ATOM 2207 CG HIS S 35 32.146 4.867 16.934 1.00 0.00 C ATOM 2208 ND1 HIS S 35 33.135 4.871 17.733 1.00 0.00 N ATOM 2209 CD2 HIS S 35 31.371 3.799 17.332 1.00 0.00 C ATOM 2210 CE1 HIS S 35 33.035 3.914 18.578 1.00 0.00 C ATOM 2211 NE2 HIS S 35 31.942 3.192 18.386 1.00 0.00 N ATOM 0 H HIS S 35 33.887 6.574 17.251 1.00 0.00 H new ATOM 0 HA HIS S 35 31.949 8.050 15.583 1.00 0.00 H new ATOM 0 HB2 HIS S 35 30.901 5.757 15.404 1.00 0.00 H new ATOM 0 HB3 HIS S 35 32.603 5.701 14.990 1.00 0.00 H new ATOM 0 HD2 HIS S 35 30.445 3.496 16.867 1.00 0.00 H new ATOM 0 HE1 HIS S 35 33.758 3.719 19.356 1.00 0.00 H new ATOM 0 HE2 HIS S 35 31.615 2.379 18.908 1.00 0.00 H new ATOM 2219 N LEU S 36 31.469 7.632 18.662 1.00 0.00 N ATOM 2220 CA LEU S 36 30.471 7.838 19.738 1.00 0.00 C ATOM 2221 C LEU S 36 29.429 8.903 19.360 1.00 0.00 C ATOM 2222 O LEU S 36 28.246 8.637 19.431 1.00 0.00 O ATOM 2223 CB LEU S 36 31.188 8.232 21.039 1.00 0.00 C ATOM 2224 CG LEU S 36 31.052 7.107 22.085 1.00 0.00 C ATOM 2225 CD1 LEU S 36 29.563 6.882 22.428 1.00 0.00 C ATOM 2226 CD2 LEU S 36 31.703 5.815 21.548 1.00 0.00 C ATOM 0 H LEU S 36 32.445 7.600 18.957 1.00 0.00 H new ATOM 0 HA LEU S 36 29.936 6.900 19.883 1.00 0.00 H new ATOM 0 HB2 LEU S 36 32.242 8.426 20.838 1.00 0.00 H new ATOM 0 HB3 LEU S 36 30.763 9.156 21.431 1.00 0.00 H new ATOM 0 HG LEU S 36 31.569 7.395 23.000 1.00 0.00 H new ATOM 0 HD11 LEU S 36 29.476 6.086 23.167 1.00 0.00 H new ATOM 0 HD12 LEU S 36 29.140 7.801 22.833 1.00 0.00 H new ATOM 0 HD13 LEU S 36 29.020 6.600 21.526 1.00 0.00 H new ATOM 0 HD21 LEU S 36 31.605 5.023 22.290 1.00 0.00 H new ATOM 0 HD22 LEU S 36 31.206 5.513 20.626 1.00 0.00 H new ATOM 0 HD23 LEU S 36 32.759 5.996 21.348 1.00 0.00 H new ATOM 2238 N PRO S 37 29.854 10.087 18.960 1.00 0.00 N ATOM 2239 CA PRO S 37 28.885 11.129 18.589 1.00 0.00 C ATOM 2240 C PRO S 37 28.028 10.653 17.420 1.00 0.00 C ATOM 2241 O PRO S 37 26.849 10.405 17.586 1.00 0.00 O ATOM 2242 CB PRO S 37 29.731 12.336 18.173 1.00 0.00 C ATOM 2243 CG PRO S 37 31.222 11.948 18.345 1.00 0.00 C ATOM 2244 CD PRO S 37 31.275 10.490 18.833 1.00 0.00 C ATOM 0 HA PRO S 37 28.208 11.371 19.408 1.00 0.00 H new ATOM 0 HB2 PRO S 37 29.524 12.610 17.138 1.00 0.00 H new ATOM 0 HB3 PRO S 37 29.488 13.203 18.787 1.00 0.00 H new ATOM 0 HG2 PRO S 37 31.756 12.054 17.401 1.00 0.00 H new ATOM 0 HG3 PRO S 37 31.708 12.609 19.062 1.00 0.00 H new ATOM 0 HD2 PRO S 37 31.806 9.854 18.125 1.00 0.00 H new ATOM 0 HD3 PRO S 37 31.797 10.410 19.787 1.00 0.00 H new ATOM 2252 N LEU S 38 28.627 10.545 16.255 1.00 0.00 N ATOM 2253 CA LEU S 38 27.855 10.084 15.076 1.00 0.00 C ATOM 2254 C LEU S 38 26.954 8.931 15.467 1.00 0.00 C ATOM 2255 O LEU S 38 25.755 8.970 15.282 1.00 0.00 O ATOM 2256 CB LEU S 38 28.843 9.565 14.037 1.00 0.00 C ATOM 2257 CG LEU S 38 28.566 10.257 12.711 1.00 0.00 C ATOM 2258 CD1 LEU S 38 29.553 9.741 11.669 1.00 0.00 C ATOM 2259 CD2 LEU S 38 27.138 9.942 12.254 1.00 0.00 C ATOM 0 H LEU S 38 29.609 10.756 16.080 1.00 0.00 H new ATOM 0 HA LEU S 38 27.257 10.909 14.688 1.00 0.00 H new ATOM 0 HB2 LEU S 38 29.866 9.760 14.358 1.00 0.00 H new ATOM 0 HB3 LEU S 38 28.744 8.485 13.928 1.00 0.00 H new ATOM 0 HG LEU S 38 28.677 11.335 12.829 1.00 0.00 H new ATOM 0 HD11 LEU S 38 29.363 10.231 10.714 1.00 0.00 H new ATOM 0 HD12 LEU S 38 30.571 9.959 11.993 1.00 0.00 H new ATOM 0 HD13 LEU S 38 29.431 8.664 11.555 1.00 0.00 H new ATOM 0 HD21 LEU S 38 26.942 10.439 11.304 1.00 0.00 H new ATOM 0 HD22 LEU S 38 27.025 8.865 12.130 1.00 0.00 H new ATOM 0 HD23 LEU S 38 26.430 10.298 13.002 1.00 0.00 H new ATOM 2271 N LEU S 39 27.572 7.918 15.993 1.00 0.00 N ATOM 2272 CA LEU S 39 26.790 6.727 16.419 1.00 0.00 C ATOM 2273 C LEU S 39 25.519 7.155 17.160 1.00 0.00 C ATOM 2274 O LEU S 39 24.440 6.668 16.883 1.00 0.00 O ATOM 2275 CB LEU S 39 27.667 5.893 17.368 1.00 0.00 C ATOM 2276 CG LEU S 39 26.964 4.587 17.721 1.00 0.00 C ATOM 2277 CD1 LEU S 39 26.824 3.709 16.465 1.00 0.00 C ATOM 2278 CD2 LEU S 39 27.811 3.858 18.773 1.00 0.00 C ATOM 0 H LEU S 39 28.579 7.860 16.147 1.00 0.00 H new ATOM 0 HA LEU S 39 26.503 6.147 15.542 1.00 0.00 H new ATOM 0 HB2 LEU S 39 28.627 5.682 16.897 1.00 0.00 H new ATOM 0 HB3 LEU S 39 27.875 6.460 18.276 1.00 0.00 H new ATOM 0 HG LEU S 39 25.967 4.791 18.113 1.00 0.00 H new ATOM 0 HD11 LEU S 39 26.321 2.778 16.726 1.00 0.00 H new ATOM 0 HD12 LEU S 39 26.239 4.239 15.714 1.00 0.00 H new ATOM 0 HD13 LEU S 39 27.813 3.487 16.064 1.00 0.00 H new ATOM 0 HD21 LEU S 39 27.328 2.919 19.042 1.00 0.00 H new ATOM 0 HD22 LEU S 39 28.801 3.653 18.365 1.00 0.00 H new ATOM 0 HD23 LEU S 39 27.907 4.484 19.660 1.00 0.00 H new ATOM 2290 N ASN S 40 25.674 8.056 18.090 1.00 0.00 N ATOM 2291 CA ASN S 40 24.492 8.532 18.863 1.00 0.00 C ATOM 2292 C ASN S 40 23.658 9.552 18.080 1.00 0.00 C ATOM 2293 O ASN S 40 22.541 9.844 18.456 1.00 0.00 O ATOM 2294 CB ASN S 40 24.995 9.208 20.142 1.00 0.00 C ATOM 2295 CG ASN S 40 24.259 10.536 20.330 1.00 0.00 C ATOM 2296 OD1 ASN S 40 23.281 10.621 21.046 1.00 0.00 O ATOM 2297 ND2 ASN S 40 24.692 11.596 19.703 1.00 0.00 N ATOM 0 H ASN S 40 26.564 8.482 18.348 1.00 0.00 H new ATOM 0 HA ASN S 40 23.860 7.670 19.076 1.00 0.00 H new ATOM 0 HB2 ASN S 40 24.826 8.559 21.002 1.00 0.00 H new ATOM 0 HB3 ASN S 40 26.070 9.379 20.079 1.00 0.00 H new ATOM 0 HD21 ASN S 40 24.210 12.488 19.816 1.00 0.00 H new ATOM 0 HD22 ASN S 40 25.512 11.532 19.100 1.00 0.00 H new ATOM 2304 N LEU S 41 24.208 10.079 17.016 1.00 0.00 N ATOM 2305 CA LEU S 41 23.439 11.079 16.214 1.00 0.00 C ATOM 2306 C LEU S 41 21.994 10.635 16.041 1.00 0.00 C ATOM 2307 O LEU S 41 21.076 11.352 16.387 1.00 0.00 O ATOM 2308 CB LEU S 41 24.083 11.195 14.822 1.00 0.00 C ATOM 2309 CG LEU S 41 23.352 12.258 13.983 1.00 0.00 C ATOM 2310 CD1 LEU S 41 23.533 13.637 14.624 1.00 0.00 C ATOM 2311 CD2 LEU S 41 23.956 12.280 12.578 1.00 0.00 C ATOM 0 H LEU S 41 25.144 9.864 16.671 1.00 0.00 H new ATOM 0 HA LEU S 41 23.457 12.036 16.735 1.00 0.00 H new ATOM 0 HB2 LEU S 41 25.135 11.461 14.922 1.00 0.00 H new ATOM 0 HB3 LEU S 41 24.044 10.231 14.314 1.00 0.00 H new ATOM 0 HG LEU S 41 22.290 12.017 13.934 1.00 0.00 H new ATOM 0 HD11 LEU S 41 23.014 14.387 14.027 1.00 0.00 H new ATOM 0 HD12 LEU S 41 23.120 13.627 15.633 1.00 0.00 H new ATOM 0 HD13 LEU S 41 24.594 13.881 14.669 1.00 0.00 H new ATOM 0 HD21 LEU S 41 23.445 13.030 11.974 1.00 0.00 H new ATOM 0 HD22 LEU S 41 25.016 12.525 12.641 1.00 0.00 H new ATOM 0 HD23 LEU S 41 23.838 11.300 12.116 1.00 0.00 H new ATOM 2323 N MET S 42 21.818 9.460 15.504 1.00 0.00 N ATOM 2324 CA MET S 42 20.429 8.968 15.304 1.00 0.00 C ATOM 2325 C MET S 42 20.339 7.444 15.315 1.00 0.00 C ATOM 2326 O MET S 42 20.007 6.838 14.315 1.00 0.00 O ATOM 2327 CB MET S 42 19.939 9.471 13.942 1.00 0.00 C ATOM 2328 CG MET S 42 18.412 9.398 13.894 1.00 0.00 C ATOM 2329 SD MET S 42 17.498 10.911 14.278 1.00 0.00 S ATOM 2330 CE MET S 42 15.837 10.194 14.212 1.00 0.00 C ATOM 0 H MET S 42 22.561 8.830 15.200 1.00 0.00 H new ATOM 0 HA MET S 42 19.818 9.341 16.126 1.00 0.00 H new ATOM 0 HB2 MET S 42 20.270 10.497 13.780 1.00 0.00 H new ATOM 0 HB3 MET S 42 20.368 8.867 13.143 1.00 0.00 H new ATOM 0 HG2 MET S 42 18.121 9.072 12.895 1.00 0.00 H new ATOM 0 HG3 MET S 42 18.089 8.623 14.589 1.00 0.00 H new ATOM 0 HE1 MET S 42 15.098 10.967 14.423 1.00 0.00 H new ATOM 0 HE2 MET S 42 15.658 9.782 13.219 1.00 0.00 H new ATOM 0 HE3 MET S 42 15.754 9.400 14.954 1.00 0.00 H new ATOM 2340 N LEU S 43 20.634 6.844 16.436 1.00 0.00 N ATOM 2341 CA LEU S 43 20.560 5.373 16.504 1.00 0.00 C ATOM 2342 C LEU S 43 19.101 4.938 16.383 1.00 0.00 C ATOM 2343 O LEU S 43 18.794 3.774 16.242 1.00 0.00 O ATOM 2344 CB LEU S 43 21.125 4.946 17.863 1.00 0.00 C ATOM 2345 CG LEU S 43 20.224 5.463 18.986 1.00 0.00 C ATOM 2346 CD1 LEU S 43 19.418 4.296 19.555 1.00 0.00 C ATOM 2347 CD2 LEU S 43 21.089 6.054 20.101 1.00 0.00 C ATOM 0 H LEU S 43 20.920 7.311 17.296 1.00 0.00 H new ATOM 0 HA LEU S 43 21.129 4.912 15.696 1.00 0.00 H new ATOM 0 HB2 LEU S 43 21.195 3.859 17.912 1.00 0.00 H new ATOM 0 HB3 LEU S 43 22.135 5.337 17.986 1.00 0.00 H new ATOM 0 HG LEU S 43 19.554 6.228 18.594 1.00 0.00 H new ATOM 0 HD11 LEU S 43 18.773 4.656 20.356 1.00 0.00 H new ATOM 0 HD12 LEU S 43 18.807 3.857 18.766 1.00 0.00 H new ATOM 0 HD13 LEU S 43 20.099 3.541 19.949 1.00 0.00 H new ATOM 0 HD21 LEU S 43 20.448 6.423 20.902 1.00 0.00 H new ATOM 0 HD22 LEU S 43 21.753 5.284 20.493 1.00 0.00 H new ATOM 0 HD23 LEU S 43 21.683 6.877 19.703 1.00 0.00 H new ATOM 2359 N THR S 44 18.236 5.914 16.437 1.00 0.00 N ATOM 2360 CA THR S 44 16.774 5.647 16.330 1.00 0.00 C ATOM 2361 C THR S 44 16.291 4.698 17.444 1.00 0.00 C ATOM 2362 O THR S 44 16.902 3.675 17.669 1.00 0.00 O ATOM 2363 CB THR S 44 16.518 4.970 14.982 1.00 0.00 C ATOM 2364 OG1 THR S 44 17.393 5.604 14.071 1.00 0.00 O ATOM 2365 CG2 THR S 44 15.109 5.286 14.460 1.00 0.00 C ATOM 0 H THR S 44 18.484 6.897 16.552 1.00 0.00 H new ATOM 0 HA THR S 44 16.237 6.591 16.423 1.00 0.00 H new ATOM 0 HB THR S 44 16.647 3.892 15.084 1.00 0.00 H new ATOM 0 HG1 THR S 44 17.279 5.211 13.180 1.00 0.00 H new ATOM 0 HG21 THR S 44 14.957 4.791 13.501 1.00 0.00 H new ATOM 0 HG22 THR S 44 14.368 4.928 15.175 1.00 0.00 H new ATOM 0 HG23 THR S 44 15.001 6.363 14.334 1.00 0.00 H new ATOM 2373 N PRO S 45 15.185 5.017 18.112 1.00 0.00 N ATOM 2374 CA PRO S 45 14.680 4.142 19.185 1.00 0.00 C ATOM 2375 C PRO S 45 14.398 2.731 18.665 1.00 0.00 C ATOM 2376 O PRO S 45 14.855 1.756 19.233 1.00 0.00 O ATOM 2377 CB PRO S 45 13.365 4.792 19.642 1.00 0.00 C ATOM 2378 CG PRO S 45 13.128 6.048 18.772 1.00 0.00 C ATOM 2379 CD PRO S 45 14.347 6.213 17.855 1.00 0.00 C ATOM 0 HA PRO S 45 15.409 4.043 19.990 1.00 0.00 H new ATOM 0 HB2 PRO S 45 12.536 4.092 19.535 1.00 0.00 H new ATOM 0 HB3 PRO S 45 13.420 5.063 20.696 1.00 0.00 H new ATOM 0 HG2 PRO S 45 12.217 5.940 18.183 1.00 0.00 H new ATOM 0 HG3 PRO S 45 12.999 6.930 19.400 1.00 0.00 H new ATOM 0 HD2 PRO S 45 14.049 6.268 16.808 1.00 0.00 H new ATOM 0 HD3 PRO S 45 14.889 7.131 18.081 1.00 0.00 H new ATOM 2387 N ASP S 46 13.633 2.656 17.605 1.00 0.00 N ATOM 2388 CA ASP S 46 13.304 1.323 17.026 1.00 0.00 C ATOM 2389 C ASP S 46 14.533 0.421 17.049 1.00 0.00 C ATOM 2390 O ASP S 46 14.447 -0.745 17.375 1.00 0.00 O ATOM 2391 CB ASP S 46 12.863 1.521 15.572 1.00 0.00 C ATOM 2392 CG ASP S 46 13.601 0.522 14.678 1.00 0.00 C ATOM 2393 OD1 ASP S 46 13.341 -0.657 14.856 1.00 0.00 O ATOM 2394 OD2 ASP S 46 14.386 0.991 13.871 1.00 0.00 O ATOM 0 H ASP S 46 13.226 3.456 17.120 1.00 0.00 H new ATOM 0 HA ASP S 46 12.510 0.859 17.612 1.00 0.00 H new ATOM 0 HB2 ASP S 46 11.786 1.378 15.484 1.00 0.00 H new ATOM 0 HB3 ASP S 46 13.077 2.540 15.251 1.00 0.00 H new ATOM 2399 N GLU S 47 15.655 0.984 16.698 1.00 0.00 N ATOM 2400 CA GLU S 47 16.902 0.183 16.691 1.00 0.00 C ATOM 2401 C GLU S 47 17.302 -0.166 18.122 1.00 0.00 C ATOM 2402 O GLU S 47 17.615 -1.300 18.420 1.00 0.00 O ATOM 2403 CB GLU S 47 18.013 1.035 16.060 1.00 0.00 C ATOM 2404 CG GLU S 47 18.940 0.150 15.224 1.00 0.00 C ATOM 2405 CD GLU S 47 18.181 -0.383 14.004 1.00 0.00 C ATOM 2406 OE1 GLU S 47 17.393 0.385 13.478 1.00 0.00 O ATOM 2407 OE2 GLU S 47 18.433 -1.530 13.670 1.00 0.00 O ATOM 0 H GLU S 47 15.759 1.959 16.418 1.00 0.00 H new ATOM 0 HA GLU S 47 16.749 -0.737 16.127 1.00 0.00 H new ATOM 0 HB2 GLU S 47 17.575 1.812 15.433 1.00 0.00 H new ATOM 0 HB3 GLU S 47 18.584 1.539 16.840 1.00 0.00 H new ATOM 0 HG2 GLU S 47 19.811 0.721 14.902 1.00 0.00 H new ATOM 0 HG3 GLU S 47 19.308 -0.680 15.827 1.00 0.00 H new ATOM 2414 N ARG S 48 17.271 0.828 18.974 1.00 0.00 N ATOM 2415 CA ARG S 48 17.639 0.612 20.402 1.00 0.00 C ATOM 2416 C ARG S 48 17.144 -0.740 20.899 1.00 0.00 C ATOM 2417 O ARG S 48 17.874 -1.483 21.524 1.00 0.00 O ATOM 2418 CB ARG S 48 16.962 1.716 21.231 1.00 0.00 C ATOM 2419 CG ARG S 48 17.575 1.774 22.632 1.00 0.00 C ATOM 2420 CD ARG S 48 17.141 3.081 23.302 1.00 0.00 C ATOM 2421 NE ARG S 48 17.422 3.004 24.764 1.00 0.00 N ATOM 2422 CZ ARG S 48 18.647 3.159 25.188 1.00 0.00 C ATOM 2423 NH1 ARG S 48 19.152 4.362 25.228 1.00 0.00 N ATOM 2424 NH2 ARG S 48 19.325 2.108 25.559 1.00 0.00 N ATOM 0 H ARG S 48 17.005 1.784 18.738 1.00 0.00 H new ATOM 0 HA ARG S 48 18.724 0.639 20.501 1.00 0.00 H new ATOM 0 HB2 ARG S 48 17.080 2.679 20.734 1.00 0.00 H new ATOM 0 HB3 ARG S 48 15.892 1.523 21.302 1.00 0.00 H new ATOM 0 HG2 ARG S 48 17.248 0.919 23.224 1.00 0.00 H new ATOM 0 HG3 ARG S 48 18.662 1.723 22.572 1.00 0.00 H new ATOM 0 HD2 ARG S 48 17.675 3.923 22.862 1.00 0.00 H new ATOM 0 HD3 ARG S 48 16.078 3.254 23.133 1.00 0.00 H new ATOM 0 HE ARG S 48 16.665 2.832 25.426 1.00 0.00 H new ATOM 0 HH11 ARG S 48 18.591 5.161 24.931 1.00 0.00 H new ATOM 0 HH12 ARG S 48 20.107 4.503 25.556 1.00 0.00 H new ATOM 0 HH21 ARG S 48 18.897 1.183 25.515 1.00 0.00 H new ATOM 0 HH22 ARG S 48 20.283 2.211 25.893 1.00 0.00 H new ATOM 2438 N GLU S 49 15.907 -1.035 20.608 1.00 0.00 N ATOM 2439 CA GLU S 49 15.349 -2.337 21.057 1.00 0.00 C ATOM 2440 C GLU S 49 15.952 -3.492 20.259 1.00 0.00 C ATOM 2441 O GLU S 49 16.479 -4.431 20.822 1.00 0.00 O ATOM 2442 CB GLU S 49 13.833 -2.321 20.833 1.00 0.00 C ATOM 2443 CG GLU S 49 13.152 -3.019 22.010 1.00 0.00 C ATOM 2444 CD GLU S 49 13.784 -4.398 22.210 1.00 0.00 C ATOM 2445 OE1 GLU S 49 13.978 -5.056 21.200 1.00 0.00 O ATOM 2446 OE2 GLU S 49 14.040 -4.715 23.359 1.00 0.00 O ATOM 0 H GLU S 49 15.267 -0.438 20.085 1.00 0.00 H new ATOM 0 HA GLU S 49 15.587 -2.479 22.111 1.00 0.00 H new ATOM 0 HB2 GLU S 49 13.476 -1.295 20.745 1.00 0.00 H new ATOM 0 HB3 GLU S 49 13.584 -2.826 19.900 1.00 0.00 H new ATOM 0 HG2 GLU S 49 13.260 -2.421 22.915 1.00 0.00 H new ATOM 0 HG3 GLU S 49 12.083 -3.119 21.820 1.00 0.00 H new ATOM 2453 N ALA S 50 15.871 -3.396 18.960 1.00 0.00 N ATOM 2454 CA ALA S 50 16.434 -4.480 18.113 1.00 0.00 C ATOM 2455 C ALA S 50 17.958 -4.503 18.194 1.00 0.00 C ATOM 2456 O ALA S 50 18.597 -5.366 17.627 1.00 0.00 O ATOM 2457 CB ALA S 50 16.022 -4.222 16.659 1.00 0.00 C ATOM 0 H ALA S 50 15.443 -2.621 18.454 1.00 0.00 H new ATOM 0 HA ALA S 50 16.053 -5.438 18.466 1.00 0.00 H new ATOM 0 HB1 ALA S 50 16.426 -5.008 16.021 1.00 0.00 H new ATOM 0 HB2 ALA S 50 14.935 -4.218 16.584 1.00 0.00 H new ATOM 0 HB3 ALA S 50 16.412 -3.257 16.336 1.00 0.00 H new ATOM 2463 N LEU S 51 18.515 -3.552 18.891 1.00 0.00 N ATOM 2464 CA LEU S 51 19.996 -3.515 19.010 1.00 0.00 C ATOM 2465 C LEU S 51 20.490 -4.694 19.842 1.00 0.00 C ATOM 2466 O LEU S 51 21.134 -5.590 19.335 1.00 0.00 O ATOM 2467 CB LEU S 51 20.394 -2.198 19.708 1.00 0.00 C ATOM 2468 CG LEU S 51 21.813 -1.766 19.315 1.00 0.00 C ATOM 2469 CD1 LEU S 51 22.790 -2.945 19.436 1.00 0.00 C ATOM 2470 CD2 LEU S 51 21.827 -1.228 17.881 1.00 0.00 C ATOM 0 H LEU S 51 18.015 -2.808 19.377 1.00 0.00 H new ATOM 0 HA LEU S 51 20.444 -3.575 18.018 1.00 0.00 H new ATOM 0 HB2 LEU S 51 19.686 -1.414 19.441 1.00 0.00 H new ATOM 0 HB3 LEU S 51 20.336 -2.325 20.789 1.00 0.00 H new ATOM 0 HG LEU S 51 22.129 -0.976 19.996 1.00 0.00 H new ATOM 0 HD11 LEU S 51 23.791 -2.619 19.153 1.00 0.00 H new ATOM 0 HD12 LEU S 51 22.803 -3.303 20.465 1.00 0.00 H new ATOM 0 HD13 LEU S 51 22.471 -3.751 18.775 1.00 0.00 H new ATOM 0 HD21 LEU S 51 22.840 -0.925 17.616 1.00 0.00 H new ATOM 0 HD22 LEU S 51 21.490 -2.007 17.197 1.00 0.00 H new ATOM 0 HD23 LEU S 51 21.161 -0.368 17.808 1.00 0.00 H new ATOM 2482 N GLY S 52 20.188 -4.677 21.108 1.00 0.00 N ATOM 2483 CA GLY S 52 20.639 -5.799 21.969 1.00 0.00 C ATOM 2484 C GLY S 52 20.255 -7.135 21.315 1.00 0.00 C ATOM 2485 O GLY S 52 21.075 -8.021 21.148 1.00 0.00 O ATOM 0 H GLY S 52 19.656 -3.945 21.578 1.00 0.00 H new ATOM 0 HA2 GLY S 52 21.718 -5.750 22.113 1.00 0.00 H new ATOM 0 HA3 GLY S 52 20.182 -5.720 22.955 1.00 0.00 H new ATOM 2489 N THR S 53 19.008 -7.235 20.941 1.00 0.00 N ATOM 2490 CA THR S 53 18.523 -8.485 20.296 1.00 0.00 C ATOM 2491 C THR S 53 19.399 -8.890 19.107 1.00 0.00 C ATOM 2492 O THR S 53 19.649 -10.060 18.894 1.00 0.00 O ATOM 2493 CB THR S 53 17.098 -8.235 19.790 1.00 0.00 C ATOM 2494 OG1 THR S 53 16.592 -7.187 20.596 1.00 0.00 O ATOM 2495 CG2 THR S 53 16.189 -9.432 20.101 1.00 0.00 C ATOM 0 H THR S 53 18.306 -6.504 21.055 1.00 0.00 H new ATOM 0 HA THR S 53 18.558 -9.290 21.030 1.00 0.00 H new ATOM 0 HB THR S 53 17.117 -8.038 18.718 1.00 0.00 H new ATOM 0 HG1 THR S 53 16.797 -6.325 20.178 1.00 0.00 H new ATOM 0 HG21 THR S 53 15.183 -9.231 19.732 1.00 0.00 H new ATOM 0 HG22 THR S 53 16.582 -10.324 19.613 1.00 0.00 H new ATOM 0 HG23 THR S 53 16.155 -9.593 21.179 1.00 0.00 H new ATOM 2503 N ARG S 54 19.851 -7.921 18.356 1.00 0.00 N ATOM 2504 CA ARG S 54 20.711 -8.250 17.183 1.00 0.00 C ATOM 2505 C ARG S 54 22.010 -8.924 17.623 1.00 0.00 C ATOM 2506 O ARG S 54 22.328 -10.001 17.166 1.00 0.00 O ATOM 2507 CB ARG S 54 21.006 -6.933 16.419 1.00 0.00 C ATOM 2508 CG ARG S 54 22.437 -6.902 15.848 1.00 0.00 C ATOM 2509 CD ARG S 54 22.685 -8.133 14.970 1.00 0.00 C ATOM 2510 NE ARG S 54 23.219 -7.680 13.656 1.00 0.00 N ATOM 2511 CZ ARG S 54 24.340 -7.012 13.615 1.00 0.00 C ATOM 2512 NH1 ARG S 54 25.127 -7.035 14.656 1.00 0.00 N ATOM 2513 NH2 ARG S 54 24.635 -6.341 12.537 1.00 0.00 N ATOM 0 H ARG S 54 19.665 -6.929 18.501 1.00 0.00 H new ATOM 0 HA ARG S 54 20.192 -8.954 16.532 1.00 0.00 H new ATOM 0 HB2 ARG S 54 20.289 -6.818 15.606 1.00 0.00 H new ATOM 0 HB3 ARG S 54 20.866 -6.086 17.090 1.00 0.00 H new ATOM 0 HG2 ARG S 54 22.583 -5.994 15.263 1.00 0.00 H new ATOM 0 HG3 ARG S 54 23.161 -6.876 16.663 1.00 0.00 H new ATOM 0 HD2 ARG S 54 23.392 -8.806 15.454 1.00 0.00 H new ATOM 0 HD3 ARG S 54 21.759 -8.691 14.830 1.00 0.00 H new ATOM 0 HE ARG S 54 22.713 -7.890 12.795 1.00 0.00 H new ATOM 0 HH11 ARG S 54 24.862 -7.569 15.484 1.00 0.00 H new ATOM 0 HH12 ARG S 54 26.007 -6.519 14.642 1.00 0.00 H new ATOM 0 HH21 ARG S 54 23.994 -6.344 11.743 1.00 0.00 H new ATOM 0 HH22 ARG S 54 25.506 -5.813 12.487 1.00 0.00 H new ATOM 2527 N VAL S 55 22.741 -8.293 18.499 1.00 0.00 N ATOM 2528 CA VAL S 55 24.012 -8.910 18.955 1.00 0.00 C ATOM 2529 C VAL S 55 23.798 -10.361 19.396 1.00 0.00 C ATOM 2530 O VAL S 55 24.691 -11.184 19.288 1.00 0.00 O ATOM 2531 CB VAL S 55 24.567 -8.070 20.121 1.00 0.00 C ATOM 2532 CG1 VAL S 55 23.952 -6.673 20.064 1.00 0.00 C ATOM 2533 CG2 VAL S 55 24.222 -8.708 21.474 1.00 0.00 C ATOM 0 H VAL S 55 22.516 -7.388 18.913 1.00 0.00 H new ATOM 0 HA VAL S 55 24.723 -8.925 18.129 1.00 0.00 H new ATOM 0 HB VAL S 55 25.652 -8.019 20.025 1.00 0.00 H new ATOM 0 HG11 VAL S 55 24.339 -6.071 20.886 1.00 0.00 H new ATOM 0 HG12 VAL S 55 24.209 -6.201 19.116 1.00 0.00 H new ATOM 0 HG13 VAL S 55 22.868 -6.749 20.149 1.00 0.00 H new ATOM 0 HG21 VAL S 55 24.626 -8.094 22.279 1.00 0.00 H new ATOM 0 HG22 VAL S 55 23.139 -8.777 21.578 1.00 0.00 H new ATOM 0 HG23 VAL S 55 24.656 -9.707 21.526 1.00 0.00 H new ATOM 2543 N ARG S 56 22.620 -10.653 19.878 1.00 0.00 N ATOM 2544 CA ARG S 56 22.354 -12.046 20.323 1.00 0.00 C ATOM 2545 C ARG S 56 22.540 -13.054 19.184 1.00 0.00 C ATOM 2546 O ARG S 56 23.289 -14.000 19.327 1.00 0.00 O ATOM 2547 CB ARG S 56 20.914 -12.138 20.839 1.00 0.00 C ATOM 2548 CG ARG S 56 20.835 -13.243 21.899 1.00 0.00 C ATOM 2549 CD ARG S 56 19.418 -13.287 22.472 1.00 0.00 C ATOM 2550 NE ARG S 56 19.182 -12.047 23.266 1.00 0.00 N ATOM 2551 CZ ARG S 56 18.013 -11.470 23.219 1.00 0.00 C ATOM 2552 NH1 ARG S 56 17.457 -11.263 22.056 1.00 0.00 N ATOM 2553 NH2 ARG S 56 17.440 -11.118 24.337 1.00 0.00 N ATOM 0 H ARG S 56 21.844 -9.999 19.981 1.00 0.00 H new ATOM 0 HA ARG S 56 23.067 -12.291 21.110 1.00 0.00 H new ATOM 0 HB2 ARG S 56 20.605 -11.184 21.266 1.00 0.00 H new ATOM 0 HB3 ARG S 56 20.232 -12.355 20.017 1.00 0.00 H new ATOM 0 HG2 ARG S 56 21.092 -14.206 21.458 1.00 0.00 H new ATOM 0 HG3 ARG S 56 21.556 -13.054 22.694 1.00 0.00 H new ATOM 0 HD2 ARG S 56 18.688 -13.364 21.667 1.00 0.00 H new ATOM 0 HD3 ARG S 56 19.293 -14.168 23.102 1.00 0.00 H new ATOM 0 HE ARG S 56 19.928 -11.654 23.840 1.00 0.00 H new ATOM 0 HH11 ARG S 56 17.936 -11.551 21.203 1.00 0.00 H new ATOM 0 HH12 ARG S 56 16.543 -10.813 22.000 1.00 0.00 H new ATOM 0 HH21 ARG S 56 17.906 -11.295 25.227 1.00 0.00 H new ATOM 0 HH22 ARG S 56 16.526 -10.666 24.321 1.00 0.00 H new ATOM 2567 N ILE S 57 21.863 -12.850 18.076 1.00 0.00 N ATOM 2568 CA ILE S 57 22.024 -13.811 16.959 1.00 0.00 C ATOM 2569 C ILE S 57 23.499 -14.126 16.731 1.00 0.00 C ATOM 2570 O ILE S 57 23.869 -15.268 16.579 1.00 0.00 O ATOM 2571 CB ILE S 57 21.393 -13.216 15.695 1.00 0.00 C ATOM 2572 CG1 ILE S 57 22.379 -12.347 14.917 1.00 0.00 C ATOM 2573 CG2 ILE S 57 20.197 -12.347 16.111 1.00 0.00 C ATOM 2574 CD1 ILE S 57 21.619 -11.662 13.788 1.00 0.00 C ATOM 0 H ILE S 57 21.222 -12.075 17.907 1.00 0.00 H new ATOM 0 HA ILE S 57 21.521 -14.746 17.207 1.00 0.00 H new ATOM 0 HB ILE S 57 21.086 -14.039 15.049 1.00 0.00 H new ATOM 0 HG12 ILE S 57 22.834 -11.606 15.574 1.00 0.00 H new ATOM 0 HG13 ILE S 57 23.189 -12.956 14.516 1.00 0.00 H new ATOM 0 HG21 ILE S 57 19.735 -11.915 15.223 1.00 0.00 H new ATOM 0 HG22 ILE S 57 19.467 -12.961 16.638 1.00 0.00 H new ATOM 0 HG23 ILE S 57 20.539 -11.547 16.768 1.00 0.00 H new ATOM 0 HD11 ILE S 57 22.303 -11.035 13.217 1.00 0.00 H new ATOM 0 HD12 ILE S 57 21.185 -12.416 13.132 1.00 0.00 H new ATOM 0 HD13 ILE S 57 20.824 -11.045 14.207 1.00 0.00 H new ATOM 2586 N VAL S 58 24.311 -13.108 16.703 1.00 0.00 N ATOM 2587 CA VAL S 58 25.762 -13.345 16.490 1.00 0.00 C ATOM 2588 C VAL S 58 26.271 -14.409 17.463 1.00 0.00 C ATOM 2589 O VAL S 58 26.771 -15.441 17.055 1.00 0.00 O ATOM 2590 CB VAL S 58 26.497 -12.025 16.754 1.00 0.00 C ATOM 2591 CG1 VAL S 58 27.965 -12.167 16.350 1.00 0.00 C ATOM 2592 CG2 VAL S 58 25.853 -10.923 15.912 1.00 0.00 C ATOM 0 H VAL S 58 24.036 -12.132 16.817 1.00 0.00 H new ATOM 0 HA VAL S 58 25.938 -13.692 15.472 1.00 0.00 H new ATOM 0 HB VAL S 58 26.433 -11.775 17.813 1.00 0.00 H new ATOM 0 HG11 VAL S 58 28.487 -11.228 16.538 1.00 0.00 H new ATOM 0 HG12 VAL S 58 28.428 -12.963 16.934 1.00 0.00 H new ATOM 0 HG13 VAL S 58 28.029 -12.411 15.290 1.00 0.00 H new ATOM 0 HG21 VAL S 58 26.368 -9.979 16.092 1.00 0.00 H new ATOM 0 HG22 VAL S 58 25.928 -11.181 14.856 1.00 0.00 H new ATOM 0 HG23 VAL S 58 24.803 -10.821 16.187 1.00 0.00 H new ATOM 2602 N GLU S 59 26.137 -14.139 18.731 1.00 0.00 N ATOM 2603 CA GLU S 59 26.610 -15.131 19.736 1.00 0.00 C ATOM 2604 C GLU S 59 26.010 -16.512 19.475 1.00 0.00 C ATOM 2605 O GLU S 59 26.722 -17.486 19.329 1.00 0.00 O ATOM 2606 CB GLU S 59 26.153 -14.667 21.122 1.00 0.00 C ATOM 2607 CG GLU S 59 26.657 -13.249 21.374 1.00 0.00 C ATOM 2608 CD GLU S 59 26.541 -12.941 22.865 1.00 0.00 C ATOM 2609 OE1 GLU S 59 27.409 -13.410 23.582 1.00 0.00 O ATOM 2610 OE2 GLU S 59 25.586 -12.262 23.206 1.00 0.00 O ATOM 0 H GLU S 59 25.726 -13.286 19.112 1.00 0.00 H new ATOM 0 HA GLU S 59 27.696 -15.201 19.672 1.00 0.00 H new ATOM 0 HB2 GLU S 59 25.065 -14.695 21.187 1.00 0.00 H new ATOM 0 HB3 GLU S 59 26.535 -15.342 21.888 1.00 0.00 H new ATOM 0 HG2 GLU S 59 27.693 -13.154 21.049 1.00 0.00 H new ATOM 0 HG3 GLU S 59 26.074 -12.533 20.795 1.00 0.00 H new ATOM 2617 N GLU S 60 24.707 -16.562 19.421 1.00 0.00 N ATOM 2618 CA GLU S 60 24.021 -17.859 19.173 1.00 0.00 C ATOM 2619 C GLU S 60 24.551 -18.560 17.920 1.00 0.00 C ATOM 2620 O GLU S 60 24.782 -19.754 17.931 1.00 0.00 O ATOM 2621 CB GLU S 60 22.528 -17.576 18.979 1.00 0.00 C ATOM 2622 CG GLU S 60 21.771 -18.002 20.237 1.00 0.00 C ATOM 2623 CD GLU S 60 20.356 -17.421 20.195 1.00 0.00 C ATOM 2624 OE1 GLU S 60 20.272 -16.211 20.066 1.00 0.00 O ATOM 2625 OE2 GLU S 60 19.440 -18.220 20.291 1.00 0.00 O ATOM 0 H GLU S 60 24.089 -15.759 19.538 1.00 0.00 H new ATOM 0 HA GLU S 60 24.204 -18.514 20.025 1.00 0.00 H new ATOM 0 HB2 GLU S 60 22.368 -16.515 18.785 1.00 0.00 H new ATOM 0 HB3 GLU S 60 22.152 -18.119 18.112 1.00 0.00 H new ATOM 0 HG2 GLU S 60 21.729 -19.089 20.299 1.00 0.00 H new ATOM 0 HG3 GLU S 60 22.294 -17.652 21.127 1.00 0.00 H new ATOM 3131 N VAL S 94 28.406 -17.325 4.399 1.00 0.00 N ATOM 3132 CA VAL S 94 29.564 -18.257 4.497 1.00 0.00 C ATOM 3133 C VAL S 94 30.770 -17.543 5.081 1.00 0.00 C ATOM 3134 O VAL S 94 31.399 -18.019 6.004 1.00 0.00 O ATOM 3135 CB VAL S 94 29.896 -18.759 3.089 1.00 0.00 C ATOM 3136 CG1 VAL S 94 30.685 -20.069 3.188 1.00 0.00 C ATOM 3137 CG2 VAL S 94 28.590 -19.018 2.334 1.00 0.00 C ATOM 0 HA VAL S 94 29.310 -19.092 5.150 1.00 0.00 H new ATOM 0 HB VAL S 94 30.491 -18.013 2.563 1.00 0.00 H new ATOM 0 HG11 VAL S 94 30.922 -20.428 2.186 1.00 0.00 H new ATOM 0 HG12 VAL S 94 31.609 -19.896 3.740 1.00 0.00 H new ATOM 0 HG13 VAL S 94 30.086 -20.816 3.708 1.00 0.00 H new ATOM 0 HG21 VAL S 94 28.815 -19.376 1.329 1.00 0.00 H new ATOM 0 HG22 VAL S 94 28.006 -19.770 2.865 1.00 0.00 H new ATOM 0 HG23 VAL S 94 28.017 -18.093 2.269 1.00 0.00 H new ATOM 3147 N GLU S 95 31.079 -16.413 4.524 1.00 0.00 N ATOM 3148 CA GLU S 95 32.243 -15.660 5.042 1.00 0.00 C ATOM 3149 C GLU S 95 31.914 -15.123 6.428 1.00 0.00 C ATOM 3150 O GLU S 95 32.716 -14.459 7.055 1.00 0.00 O ATOM 3151 CB GLU S 95 32.566 -14.491 4.104 1.00 0.00 C ATOM 3152 CG GLU S 95 31.437 -14.297 3.085 1.00 0.00 C ATOM 3153 CD GLU S 95 31.639 -12.970 2.352 1.00 0.00 C ATOM 3154 OE1 GLU S 95 32.728 -12.804 1.827 1.00 0.00 O ATOM 3155 OE2 GLU S 95 30.693 -12.199 2.357 1.00 0.00 O ATOM 0 H GLU S 95 30.584 -15.983 3.743 1.00 0.00 H new ATOM 0 HA GLU S 95 33.107 -16.322 5.098 1.00 0.00 H new ATOM 0 HB2 GLU S 95 32.702 -13.578 4.684 1.00 0.00 H new ATOM 0 HB3 GLU S 95 33.505 -14.682 3.584 1.00 0.00 H new ATOM 0 HG2 GLU S 95 31.429 -15.122 2.372 1.00 0.00 H new ATOM 0 HG3 GLU S 95 30.471 -14.303 3.590 1.00 0.00 H new ATOM 3162 N LEU S 96 30.719 -15.410 6.868 1.00 0.00 N ATOM 3163 CA LEU S 96 30.299 -14.939 8.209 1.00 0.00 C ATOM 3164 C LEU S 96 30.942 -15.839 9.255 1.00 0.00 C ATOM 3165 O LEU S 96 31.667 -15.372 10.112 1.00 0.00 O ATOM 3166 CB LEU S 96 28.761 -15.027 8.278 1.00 0.00 C ATOM 3167 CG LEU S 96 28.236 -14.756 9.703 1.00 0.00 C ATOM 3168 CD1 LEU S 96 28.389 -15.999 10.603 1.00 0.00 C ATOM 3169 CD2 LEU S 96 28.981 -13.562 10.316 1.00 0.00 C ATOM 0 H LEU S 96 30.021 -15.949 6.355 1.00 0.00 H new ATOM 0 HA LEU S 96 30.609 -13.911 8.393 1.00 0.00 H new ATOM 0 HB2 LEU S 96 28.324 -14.307 7.586 1.00 0.00 H new ATOM 0 HB3 LEU S 96 28.438 -16.016 7.954 1.00 0.00 H new ATOM 0 HG LEU S 96 27.174 -14.522 9.635 1.00 0.00 H new ATOM 0 HD11 LEU S 96 28.010 -15.775 11.600 1.00 0.00 H new ATOM 0 HD12 LEU S 96 27.824 -16.828 10.178 1.00 0.00 H new ATOM 0 HD13 LEU S 96 29.442 -16.274 10.668 1.00 0.00 H new ATOM 0 HD21 LEU S 96 28.605 -13.376 11.322 1.00 0.00 H new ATOM 0 HD22 LEU S 96 30.047 -13.783 10.362 1.00 0.00 H new ATOM 0 HD23 LEU S 96 28.820 -12.677 9.700 1.00 0.00 H new ATOM 3181 N ARG S 97 30.689 -17.118 9.161 1.00 0.00 N ATOM 3182 CA ARG S 97 31.291 -18.033 10.149 1.00 0.00 C ATOM 3183 C ARG S 97 32.778 -17.729 10.271 1.00 0.00 C ATOM 3184 O ARG S 97 33.350 -17.802 11.342 1.00 0.00 O ATOM 3185 CB ARG S 97 31.123 -19.474 9.651 1.00 0.00 C ATOM 3186 CG ARG S 97 29.974 -19.543 8.643 1.00 0.00 C ATOM 3187 CD ARG S 97 29.587 -21.010 8.432 1.00 0.00 C ATOM 3188 NE ARG S 97 30.813 -21.794 8.102 1.00 0.00 N ATOM 3189 CZ ARG S 97 31.277 -21.781 6.880 1.00 0.00 C ATOM 3190 NH1 ARG S 97 30.703 -22.534 5.982 1.00 0.00 N ATOM 3191 NH2 ARG S 97 32.294 -21.015 6.595 1.00 0.00 N ATOM 0 H ARG S 97 30.100 -17.555 8.452 1.00 0.00 H new ATOM 0 HA ARG S 97 30.805 -17.907 11.117 1.00 0.00 H new ATOM 0 HB2 ARG S 97 32.047 -19.818 9.187 1.00 0.00 H new ATOM 0 HB3 ARG S 97 30.922 -20.138 10.492 1.00 0.00 H new ATOM 0 HG2 ARG S 97 29.118 -18.976 9.008 1.00 0.00 H new ATOM 0 HG3 ARG S 97 30.275 -19.093 7.697 1.00 0.00 H new ATOM 0 HD2 ARG S 97 29.116 -21.408 9.331 1.00 0.00 H new ATOM 0 HD3 ARG S 97 28.858 -21.095 7.626 1.00 0.00 H new ATOM 0 HE ARG S 97 31.286 -22.336 8.825 1.00 0.00 H new ATOM 0 HH11 ARG S 97 29.907 -23.118 6.239 1.00 0.00 H new ATOM 0 HH12 ARG S 97 31.050 -22.538 5.023 1.00 0.00 H new ATOM 0 HH21 ARG S 97 32.716 -20.437 7.321 1.00 0.00 H new ATOM 0 HH22 ARG S 97 32.667 -20.995 5.646 1.00 0.00 H new ATOM 3205 N GLN S 98 33.371 -17.377 9.160 1.00 0.00 N ATOM 3206 CA GLN S 98 34.814 -17.058 9.173 1.00 0.00 C ATOM 3207 C GLN S 98 35.111 -15.917 10.134 1.00 0.00 C ATOM 3208 O GLN S 98 35.716 -16.122 11.168 1.00 0.00 O ATOM 3209 CB GLN S 98 35.206 -16.622 7.768 1.00 0.00 C ATOM 3210 CG GLN S 98 35.395 -17.860 6.907 1.00 0.00 C ATOM 3211 CD GLN S 98 36.858 -18.309 6.983 1.00 0.00 C ATOM 3212 OE1 GLN S 98 37.195 -19.250 7.674 1.00 0.00 O ATOM 3213 NE2 GLN S 98 37.757 -17.659 6.296 1.00 0.00 N ATOM 0 H GLN S 98 32.914 -17.299 8.252 1.00 0.00 H new ATOM 0 HA GLN S 98 35.374 -17.936 9.494 1.00 0.00 H new ATOM 0 HB2 GLN S 98 34.434 -15.980 7.343 1.00 0.00 H new ATOM 0 HB3 GLN S 98 36.126 -16.038 7.797 1.00 0.00 H new ATOM 0 HG2 GLN S 98 34.739 -18.660 7.250 1.00 0.00 H new ATOM 0 HG3 GLN S 98 35.122 -17.644 5.874 1.00 0.00 H new ATOM 0 HE21 GLN S 98 37.481 -16.868 5.714 1.00 0.00 H new ATOM 0 HE22 GLN S 98 38.736 -17.942 6.341 1.00 0.00 H new ATOM 3222 N TRP S 99 34.689 -14.728 9.784 1.00 0.00 N ATOM 3223 CA TRP S 99 34.970 -13.596 10.711 1.00 0.00 C ATOM 3224 C TRP S 99 34.542 -13.959 12.124 1.00 0.00 C ATOM 3225 O TRP S 99 35.365 -14.096 13.009 1.00 0.00 O ATOM 3226 CB TRP S 99 34.210 -12.311 10.323 1.00 0.00 C ATOM 3227 CG TRP S 99 34.719 -11.259 11.265 1.00 0.00 C ATOM 3228 CD1 TRP S 99 35.993 -10.832 11.302 1.00 0.00 C ATOM 3229 CD2 TRP S 99 34.000 -10.675 12.206 1.00 0.00 C ATOM 3230 NE1 TRP S 99 35.995 -9.968 12.301 1.00 0.00 N ATOM 3231 CE2 TRP S 99 34.804 -9.814 12.916 1.00 0.00 C ATOM 3232 CE3 TRP S 99 32.662 -10.805 12.560 1.00 0.00 C ATOM 3233 CZ2 TRP S 99 34.296 -9.096 13.945 1.00 0.00 C ATOM 3234 CZ3 TRP S 99 32.163 -10.069 13.602 1.00 0.00 C ATOM 3235 CH2 TRP S 99 32.984 -9.219 14.285 1.00 0.00 C ATOM 0 H TRP S 99 34.181 -14.498 8.930 1.00 0.00 H new ATOM 0 HA TRP S 99 36.043 -13.412 10.649 1.00 0.00 H new ATOM 0 HB2 TRP S 99 34.401 -12.037 9.285 1.00 0.00 H new ATOM 0 HB3 TRP S 99 33.133 -12.444 10.424 1.00 0.00 H new ATOM 0 HD1 TRP S 99 36.817 -11.125 10.668 1.00 0.00 H new ATOM 0 HE1 TRP S 99 36.831 -9.457 12.585 1.00 0.00 H new ATOM 0 HE3 TRP S 99 32.020 -11.482 12.017 1.00 0.00 H new ATOM 0 HZ2 TRP S 99 34.934 -8.423 14.498 1.00 0.00 H new ATOM 0 HZ3 TRP S 99 31.124 -10.161 13.882 1.00 0.00 H new ATOM 0 HH2 TRP S 99 32.588 -8.638 15.104 1.00 0.00 H new ATOM 3246 N LEU S 100 33.252 -14.078 12.295 1.00 0.00 N ATOM 3247 CA LEU S 100 32.682 -14.430 13.625 1.00 0.00 C ATOM 3248 C LEU S 100 33.648 -15.265 14.463 1.00 0.00 C ATOM 3249 O LEU S 100 33.730 -15.108 15.665 1.00 0.00 O ATOM 3250 CB LEU S 100 31.418 -15.240 13.379 1.00 0.00 C ATOM 3251 CG LEU S 100 30.368 -14.837 14.417 1.00 0.00 C ATOM 3252 CD1 LEU S 100 29.866 -13.417 14.126 1.00 0.00 C ATOM 3253 CD2 LEU S 100 29.200 -15.815 14.360 1.00 0.00 C ATOM 0 H LEU S 100 32.560 -13.944 11.557 1.00 0.00 H new ATOM 0 HA LEU S 100 32.481 -13.512 14.177 1.00 0.00 H new ATOM 0 HB2 LEU S 100 31.043 -15.059 12.372 1.00 0.00 H new ATOM 0 HB3 LEU S 100 31.632 -16.306 13.452 1.00 0.00 H new ATOM 0 HG LEU S 100 30.815 -14.860 15.411 1.00 0.00 H new ATOM 0 HD11 LEU S 100 29.119 -13.136 14.868 1.00 0.00 H new ATOM 0 HD12 LEU S 100 30.702 -12.719 14.171 1.00 0.00 H new ATOM 0 HD13 LEU S 100 29.420 -13.385 13.132 1.00 0.00 H new ATOM 0 HD21 LEU S 100 28.451 -15.530 15.098 1.00 0.00 H new ATOM 0 HD22 LEU S 100 28.756 -15.793 13.365 1.00 0.00 H new ATOM 0 HD23 LEU S 100 29.558 -16.822 14.576 1.00 0.00 H new ATOM 3265 N GLU S 101 34.357 -16.142 13.815 1.00 0.00 N ATOM 3266 CA GLU S 101 35.317 -16.988 14.561 1.00 0.00 C ATOM 3267 C GLU S 101 36.502 -16.155 15.049 1.00 0.00 C ATOM 3268 O GLU S 101 36.775 -16.082 16.230 1.00 0.00 O ATOM 3269 CB GLU S 101 35.838 -18.062 13.601 1.00 0.00 C ATOM 3270 CG GLU S 101 36.325 -19.259 14.411 1.00 0.00 C ATOM 3271 CD GLU S 101 37.346 -20.045 13.587 1.00 0.00 C ATOM 3272 OE1 GLU S 101 38.359 -19.446 13.263 1.00 0.00 O ATOM 3273 OE2 GLU S 101 37.058 -21.201 13.327 1.00 0.00 O ATOM 0 H GLU S 101 34.313 -16.307 12.809 1.00 0.00 H new ATOM 0 HA GLU S 101 34.820 -17.430 15.424 1.00 0.00 H new ATOM 0 HB2 GLU S 101 35.049 -18.368 12.915 1.00 0.00 H new ATOM 0 HB3 GLU S 101 36.651 -17.662 12.994 1.00 0.00 H new ATOM 0 HG2 GLU S 101 36.776 -18.922 15.344 1.00 0.00 H new ATOM 0 HG3 GLU S 101 35.484 -19.900 14.676 1.00 0.00 H new ATOM 3280 N GLU S 102 37.171 -15.533 14.120 1.00 0.00 N ATOM 3281 CA GLU S 102 38.349 -14.692 14.474 1.00 0.00 C ATOM 3282 C GLU S 102 38.061 -13.693 15.601 1.00 0.00 C ATOM 3283 O GLU S 102 38.963 -13.312 16.323 1.00 0.00 O ATOM 3284 CB GLU S 102 38.746 -13.891 13.221 1.00 0.00 C ATOM 3285 CG GLU S 102 39.311 -14.834 12.151 1.00 0.00 C ATOM 3286 CD GLU S 102 40.312 -14.065 11.284 1.00 0.00 C ATOM 3287 OE1 GLU S 102 40.118 -12.866 11.168 1.00 0.00 O ATOM 3288 OE2 GLU S 102 41.212 -14.720 10.786 1.00 0.00 O ATOM 0 H GLU S 102 36.952 -15.571 13.125 1.00 0.00 H new ATOM 0 HA GLU S 102 39.139 -15.358 14.821 1.00 0.00 H new ATOM 0 HB2 GLU S 102 37.878 -13.361 12.828 1.00 0.00 H new ATOM 0 HB3 GLU S 102 39.489 -13.137 13.482 1.00 0.00 H new ATOM 0 HG2 GLU S 102 39.799 -15.687 12.622 1.00 0.00 H new ATOM 0 HG3 GLU S 102 38.504 -15.229 11.534 1.00 0.00 H new ATOM 3295 N VAL S 103 36.826 -13.291 15.751 1.00 0.00 N ATOM 3296 CA VAL S 103 36.521 -12.313 16.838 1.00 0.00 C ATOM 3297 C VAL S 103 36.167 -12.979 18.170 1.00 0.00 C ATOM 3298 O VAL S 103 36.489 -12.457 19.218 1.00 0.00 O ATOM 3299 CB VAL S 103 35.334 -11.438 16.403 1.00 0.00 C ATOM 3300 CG1 VAL S 103 34.193 -12.323 15.900 1.00 0.00 C ATOM 3301 CG2 VAL S 103 34.845 -10.637 17.611 1.00 0.00 C ATOM 0 H VAL S 103 36.032 -13.588 15.184 1.00 0.00 H new ATOM 0 HA VAL S 103 37.424 -11.724 16.997 1.00 0.00 H new ATOM 0 HB VAL S 103 35.650 -10.767 15.604 1.00 0.00 H new ATOM 0 HG11 VAL S 103 33.355 -11.697 15.593 1.00 0.00 H new ATOM 0 HG12 VAL S 103 34.537 -12.911 15.049 1.00 0.00 H new ATOM 0 HG13 VAL S 103 33.873 -12.992 16.698 1.00 0.00 H new ATOM 0 HG21 VAL S 103 34.002 -10.012 17.316 1.00 0.00 H new ATOM 0 HG22 VAL S 103 34.530 -11.322 18.398 1.00 0.00 H new ATOM 0 HG23 VAL S 103 35.653 -10.006 17.981 1.00 0.00 H new ATOM 3311 N LEU S 104 35.519 -14.111 18.122 1.00 0.00 N ATOM 3312 CA LEU S 104 35.159 -14.781 19.404 1.00 0.00 C ATOM 3313 C LEU S 104 36.259 -15.722 19.895 1.00 0.00 C ATOM 3314 O LEU S 104 36.489 -15.828 21.084 1.00 0.00 O ATOM 3315 CB LEU S 104 33.861 -15.569 19.188 1.00 0.00 C ATOM 3316 CG LEU S 104 32.676 -14.591 19.269 1.00 0.00 C ATOM 3317 CD1 LEU S 104 31.594 -14.986 18.262 1.00 0.00 C ATOM 3318 CD2 LEU S 104 32.083 -14.634 20.680 1.00 0.00 C ATOM 0 H LEU S 104 35.228 -14.592 17.271 1.00 0.00 H new ATOM 0 HA LEU S 104 35.030 -14.016 20.169 1.00 0.00 H new ATOM 0 HB2 LEU S 104 33.876 -16.066 18.218 1.00 0.00 H new ATOM 0 HB3 LEU S 104 33.761 -16.348 19.943 1.00 0.00 H new ATOM 0 HG LEU S 104 33.030 -13.586 19.039 1.00 0.00 H new ATOM 0 HD11 LEU S 104 30.761 -14.286 18.330 1.00 0.00 H new ATOM 0 HD12 LEU S 104 32.008 -14.961 17.254 1.00 0.00 H new ATOM 0 HD13 LEU S 104 31.241 -15.993 18.484 1.00 0.00 H new ATOM 0 HD21 LEU S 104 31.243 -13.943 20.743 1.00 0.00 H new ATOM 0 HD22 LEU S 104 31.738 -15.645 20.899 1.00 0.00 H new ATOM 0 HD23 LEU S 104 32.845 -14.345 21.404 1.00 0.00 H new ATOM 3330 N LEU S 105 36.928 -16.388 18.993 1.00 0.00 N ATOM 3331 CA LEU S 105 38.005 -17.310 19.447 1.00 0.00 C ATOM 3332 C LEU S 105 38.935 -16.596 20.423 1.00 0.00 C ATOM 3333 O LEU S 105 39.200 -17.082 21.504 1.00 0.00 O ATOM 3334 CB LEU S 105 38.824 -17.769 18.230 1.00 0.00 C ATOM 3335 CG LEU S 105 38.717 -19.293 18.091 1.00 0.00 C ATOM 3336 CD1 LEU S 105 39.515 -19.745 16.865 1.00 0.00 C ATOM 3337 CD2 LEU S 105 39.296 -19.961 19.342 1.00 0.00 C ATOM 0 H LEU S 105 36.780 -16.336 17.985 1.00 0.00 H new ATOM 0 HA LEU S 105 37.550 -18.167 19.943 1.00 0.00 H new ATOM 0 HB2 LEU S 105 38.456 -17.283 17.326 1.00 0.00 H new ATOM 0 HB3 LEU S 105 39.867 -17.476 18.348 1.00 0.00 H new ATOM 0 HG LEU S 105 37.671 -19.576 17.976 1.00 0.00 H new ATOM 0 HD11 LEU S 105 39.442 -20.828 16.762 1.00 0.00 H new ATOM 0 HD12 LEU S 105 39.112 -19.268 15.972 1.00 0.00 H new ATOM 0 HD13 LEU S 105 40.561 -19.462 16.987 1.00 0.00 H new ATOM 0 HD21 LEU S 105 39.220 -21.044 19.244 1.00 0.00 H new ATOM 0 HD22 LEU S 105 40.343 -19.679 19.454 1.00 0.00 H new ATOM 0 HD23 LEU S 105 38.737 -19.636 20.220 1.00 0.00 H new