USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 1002 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: R 27 LYS NZ :NH3+ -164:sc= -1.04 (180deg=-0.72) USER MOD Set 1.2: R 28 ASN :FLIP amide:sc= -0.8 F(o=-6!,f=-1.8) USER MOD Single : R 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : R 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : R 30 TYR OH : rot 180:sc= 0 USER MOD Single : R 31 GLN : amide:sc= -0.0451 X(o=-0.045,f=0) USER MOD Single : R 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : R 35 HIS : no HD1:sc= -6.73! C(o=-6.7!,f=-11!) USER MOD Single : R 40 ASN : amide:sc= -0.557 K(o=-0.56,f=-1.8!) USER MOD Single : R 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : R 44 THR OG1 : rot -109:sc= 0.726 USER MOD Single : R 53 THR OG1 : rot -77:sc= -1.26! USER MOD Single : R 98 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.95) USER MOD Single : S 16 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-0.94) USER MOD Single : S 17 GLN : amide:sc= -0.0642 K(o=-0.064,f=-2!) USER MOD Single : S 27 LYS NZ :NH3+ -120:sc= -0.687 (180deg=-2.08!) USER MOD Single : S 28 ASN : amide:sc= -0.0781 X(o=-0.078,f=0) USER MOD Single : S 30 TYR OH : rot 180:sc= 0 USER MOD Single : S 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 32 ASN : amide:sc= -0.528 K(o=-0.53,f=-3.2) USER MOD Single : S 35 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-8.3!) USER MOD Single : S 40 ASN :FLIP amide:sc= -0.763 F(o=-3.3!,f=-0.76) USER MOD Single : S 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : S 44 THR OG1 : rot 180:sc= 0.00971 USER MOD Single : S 53 THR OG1 : rot -166:sc= 1.14 USER MOD Single : S 98 GLN :FLIP amide:sc= -0.0471 F(o=-1.3,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 180 N HIS R 16 22.773 -0.090 28.548 1.00 0.00 N ATOM 181 CA HIS R 16 24.001 0.635 28.123 1.00 0.00 C ATOM 182 C HIS R 16 25.254 -0.219 28.324 1.00 0.00 C ATOM 183 O HIS R 16 26.360 0.260 28.170 1.00 0.00 O ATOM 184 CB HIS R 16 24.126 1.895 28.988 1.00 0.00 C ATOM 185 CG HIS R 16 24.857 2.985 28.199 1.00 0.00 C ATOM 186 ND1 HIS R 16 26.008 3.438 28.476 1.00 0.00 N ATOM 187 CD2 HIS R 16 24.461 3.685 27.073 1.00 0.00 C ATOM 188 CE1 HIS R 16 26.355 4.339 27.636 1.00 0.00 C ATOM 189 NE2 HIS R 16 25.425 4.551 26.719 1.00 0.00 N ATOM 0 HA HIS R 16 23.920 0.877 27.063 1.00 0.00 H new ATOM 0 HB2 HIS R 16 23.137 2.246 29.283 1.00 0.00 H new ATOM 0 HB3 HIS R 16 24.670 1.667 29.905 1.00 0.00 H new ATOM 0 HD2 HIS R 16 23.521 3.555 26.558 1.00 0.00 H new ATOM 0 HE1 HIS R 16 27.297 4.865 27.671 1.00 0.00 H new ATOM 0 HE2 HIS R 16 25.437 5.208 25.939 1.00 0.00 H new ATOM 197 N GLN R 17 25.065 -1.468 28.663 1.00 0.00 N ATOM 198 CA GLN R 17 26.248 -2.348 28.874 1.00 0.00 C ATOM 199 C GLN R 17 26.748 -2.925 27.545 1.00 0.00 C ATOM 200 O GLN R 17 27.681 -2.410 26.963 1.00 0.00 O ATOM 201 CB GLN R 17 25.843 -3.493 29.820 1.00 0.00 C ATOM 202 CG GLN R 17 26.577 -3.313 31.147 1.00 0.00 C ATOM 203 CD GLN R 17 26.186 -4.439 32.108 1.00 0.00 C ATOM 204 OE1 GLN R 17 25.349 -4.269 32.972 1.00 0.00 O ATOM 205 NE2 GLN R 17 26.770 -5.599 31.994 1.00 0.00 N ATOM 0 H GLN R 17 24.156 -1.910 28.801 1.00 0.00 H new ATOM 0 HA GLN R 17 27.057 -1.762 29.310 1.00 0.00 H new ATOM 0 HB2 GLN R 17 24.765 -3.487 29.980 1.00 0.00 H new ATOM 0 HB3 GLN R 17 26.094 -4.457 29.377 1.00 0.00 H new ATOM 0 HG2 GLN R 17 27.654 -3.320 30.982 1.00 0.00 H new ATOM 0 HG3 GLN R 17 26.328 -2.346 31.584 1.00 0.00 H new ATOM 0 HE21 GLN R 17 27.473 -5.747 31.270 1.00 0.00 H new ATOM 0 HE22 GLN R 17 26.523 -6.359 32.629 1.00 0.00 H new ATOM 214 N GLU R 18 26.121 -3.980 27.094 1.00 0.00 N ATOM 215 CA GLU R 18 26.549 -4.602 25.805 1.00 0.00 C ATOM 216 C GLU R 18 26.857 -3.531 24.758 1.00 0.00 C ATOM 217 O GLU R 18 27.648 -3.737 23.860 1.00 0.00 O ATOM 218 CB GLU R 18 25.398 -5.475 25.291 1.00 0.00 C ATOM 219 CG GLU R 18 24.754 -6.198 26.475 1.00 0.00 C ATOM 220 CD GLU R 18 23.971 -7.407 25.964 1.00 0.00 C ATOM 221 OE1 GLU R 18 22.978 -7.167 25.297 1.00 0.00 O ATOM 222 OE2 GLU R 18 24.409 -8.505 26.269 1.00 0.00 O ATOM 0 H GLU R 18 25.336 -4.436 27.559 1.00 0.00 H new ATOM 0 HA GLU R 18 27.450 -5.192 25.974 1.00 0.00 H new ATOM 0 HB2 GLU R 18 24.659 -4.860 24.778 1.00 0.00 H new ATOM 0 HB3 GLU R 18 25.769 -6.198 24.565 1.00 0.00 H new ATOM 0 HG2 GLU R 18 25.520 -6.519 27.181 1.00 0.00 H new ATOM 0 HG3 GLU R 18 24.090 -5.521 27.012 1.00 0.00 H new ATOM 229 N TRP R 19 26.217 -2.407 24.908 1.00 0.00 N ATOM 230 CA TRP R 19 26.429 -1.284 23.956 1.00 0.00 C ATOM 231 C TRP R 19 27.922 -1.011 23.725 1.00 0.00 C ATOM 232 O TRP R 19 28.272 -0.203 22.890 1.00 0.00 O ATOM 233 CB TRP R 19 25.781 -0.059 24.592 1.00 0.00 C ATOM 234 CG TRP R 19 25.977 1.156 23.701 1.00 0.00 C ATOM 235 CD1 TRP R 19 26.955 2.062 23.862 1.00 0.00 C ATOM 236 CD2 TRP R 19 25.149 1.534 22.722 1.00 0.00 C ATOM 237 NE1 TRP R 19 26.673 2.989 22.957 1.00 0.00 N ATOM 238 CE2 TRP R 19 25.573 2.746 22.212 1.00 0.00 C ATOM 239 CE3 TRP R 19 23.992 0.950 22.213 1.00 0.00 C ATOM 240 CZ2 TRP R 19 24.863 3.375 21.226 1.00 0.00 C ATOM 241 CZ3 TRP R 19 23.278 1.598 21.220 1.00 0.00 C ATOM 242 CH2 TRP R 19 23.714 2.809 20.729 1.00 0.00 C ATOM 0 H TRP R 19 25.550 -2.217 25.656 1.00 0.00 H new ATOM 0 HA TRP R 19 25.996 -1.526 22.986 1.00 0.00 H new ATOM 0 HB2 TRP R 19 24.717 -0.239 24.746 1.00 0.00 H new ATOM 0 HB3 TRP R 19 26.218 0.125 25.573 1.00 0.00 H new ATOM 0 HD1 TRP R 19 27.777 2.041 24.563 1.00 0.00 H new ATOM 0 HE1 TRP R 19 27.245 3.824 22.833 1.00 0.00 H new ATOM 0 HE3 TRP R 19 23.654 -0.003 22.591 1.00 0.00 H new ATOM 0 HZ2 TRP R 19 25.208 4.321 20.836 1.00 0.00 H new ATOM 0 HZ3 TRP R 19 22.375 1.152 20.829 1.00 0.00 H new ATOM 0 HH2 TRP R 19 23.154 3.312 19.955 1.00 0.00 H new ATOM 253 N LEU R 20 28.772 -1.673 24.480 1.00 0.00 N ATOM 254 CA LEU R 20 30.242 -1.455 24.309 1.00 0.00 C ATOM 255 C LEU R 20 30.957 -2.743 23.881 1.00 0.00 C ATOM 256 O LEU R 20 31.406 -2.867 22.759 1.00 0.00 O ATOM 257 CB LEU R 20 30.849 -1.001 25.650 1.00 0.00 C ATOM 258 CG LEU R 20 30.018 0.135 26.267 1.00 0.00 C ATOM 259 CD1 LEU R 20 30.431 0.307 27.731 1.00 0.00 C ATOM 260 CD2 LEU R 20 30.297 1.441 25.517 1.00 0.00 C ATOM 0 H LEU R 20 28.512 -2.348 25.199 1.00 0.00 H new ATOM 0 HA LEU R 20 30.376 -0.699 23.536 1.00 0.00 H new ATOM 0 HB2 LEU R 20 30.890 -1.844 26.340 1.00 0.00 H new ATOM 0 HB3 LEU R 20 31.874 -0.665 25.495 1.00 0.00 H new ATOM 0 HG LEU R 20 28.957 -0.106 26.197 1.00 0.00 H new ATOM 0 HD11 LEU R 20 29.849 1.111 28.181 1.00 0.00 H new ATOM 0 HD12 LEU R 20 30.248 -0.621 28.272 1.00 0.00 H new ATOM 0 HD13 LEU R 20 31.491 0.554 27.783 1.00 0.00 H new ATOM 0 HD21 LEU R 20 29.707 2.246 25.956 1.00 0.00 H new ATOM 0 HD22 LEU R 20 31.357 1.685 25.593 1.00 0.00 H new ATOM 0 HD23 LEU R 20 30.026 1.323 24.468 1.00 0.00 H new ATOM 272 N ARG R 21 31.040 -3.670 24.796 1.00 0.00 N ATOM 273 CA ARG R 21 31.717 -4.965 24.504 1.00 0.00 C ATOM 274 C ARG R 21 31.348 -5.563 23.142 1.00 0.00 C ATOM 275 O ARG R 21 32.215 -6.015 22.420 1.00 0.00 O ATOM 276 CB ARG R 21 31.309 -5.963 25.594 1.00 0.00 C ATOM 277 CG ARG R 21 32.566 -6.478 26.296 1.00 0.00 C ATOM 278 CD ARG R 21 32.160 -7.456 27.404 1.00 0.00 C ATOM 279 NE ARG R 21 31.778 -6.686 28.621 1.00 0.00 N ATOM 280 CZ ARG R 21 31.894 -7.245 29.794 1.00 0.00 C ATOM 281 NH1 ARG R 21 33.083 -7.566 30.226 1.00 0.00 N ATOM 282 NH2 ARG R 21 30.816 -7.470 30.497 1.00 0.00 N ATOM 0 H ARG R 21 30.665 -3.585 25.741 1.00 0.00 H new ATOM 0 HA ARG R 21 32.790 -4.773 24.484 1.00 0.00 H new ATOM 0 HB2 ARG R 21 30.646 -5.483 26.314 1.00 0.00 H new ATOM 0 HB3 ARG R 21 30.756 -6.794 25.156 1.00 0.00 H new ATOM 0 HG2 ARG R 21 33.220 -6.974 25.579 1.00 0.00 H new ATOM 0 HG3 ARG R 21 33.128 -5.645 26.718 1.00 0.00 H new ATOM 0 HD2 ARG R 21 31.325 -8.073 27.073 1.00 0.00 H new ATOM 0 HD3 ARG R 21 32.985 -8.131 27.630 1.00 0.00 H new ATOM 0 HE ARG R 21 31.429 -5.731 28.538 1.00 0.00 H new ATOM 0 HH11 ARG R 21 33.903 -7.379 29.649 1.00 0.00 H new ATOM 0 HH12 ARG R 21 33.192 -8.004 31.141 1.00 0.00 H new ATOM 0 HH21 ARG R 21 29.902 -7.209 30.127 1.00 0.00 H new ATOM 0 HH22 ARG R 21 30.888 -7.906 31.416 1.00 0.00 H new ATOM 296 N PHE R 22 30.086 -5.561 22.806 1.00 0.00 N ATOM 297 CA PHE R 22 29.703 -6.144 21.488 1.00 0.00 C ATOM 298 C PHE R 22 29.786 -5.124 20.354 1.00 0.00 C ATOM 299 O PHE R 22 30.344 -5.409 19.307 1.00 0.00 O ATOM 300 CB PHE R 22 28.275 -6.689 21.598 1.00 0.00 C ATOM 301 CG PHE R 22 28.333 -8.045 22.309 1.00 0.00 C ATOM 302 CD1 PHE R 22 28.331 -8.110 23.691 1.00 0.00 C ATOM 303 CD2 PHE R 22 28.424 -9.218 21.582 1.00 0.00 C ATOM 304 CE1 PHE R 22 28.422 -9.329 24.334 1.00 0.00 C ATOM 305 CE2 PHE R 22 28.515 -10.437 22.226 1.00 0.00 C ATOM 306 CZ PHE R 22 28.515 -10.491 23.601 1.00 0.00 C ATOM 0 H PHE R 22 29.321 -5.191 23.370 1.00 0.00 H new ATOM 0 HA PHE R 22 30.406 -6.941 21.246 1.00 0.00 H new ATOM 0 HB2 PHE R 22 27.645 -5.995 22.154 1.00 0.00 H new ATOM 0 HB3 PHE R 22 27.832 -6.798 20.608 1.00 0.00 H new ATOM 0 HD1 PHE R 22 28.258 -7.202 24.271 1.00 0.00 H new ATOM 0 HD2 PHE R 22 28.424 -9.181 20.503 1.00 0.00 H new ATOM 0 HE1 PHE R 22 28.420 -9.371 25.413 1.00 0.00 H new ATOM 0 HE2 PHE R 22 28.586 -11.348 21.650 1.00 0.00 H new ATOM 0 HZ PHE R 22 28.588 -11.444 24.105 1.00 0.00 H new ATOM 316 N VAL R 23 29.237 -3.959 20.556 1.00 0.00 N ATOM 317 CA VAL R 23 29.308 -2.951 19.468 1.00 0.00 C ATOM 318 C VAL R 23 30.753 -2.838 18.994 1.00 0.00 C ATOM 319 O VAL R 23 31.026 -2.409 17.891 1.00 0.00 O ATOM 320 CB VAL R 23 28.834 -1.595 20.015 1.00 0.00 C ATOM 321 CG1 VAL R 23 28.674 -0.594 18.865 1.00 0.00 C ATOM 322 CG2 VAL R 23 27.473 -1.782 20.689 1.00 0.00 C ATOM 0 H VAL R 23 28.754 -3.668 21.406 1.00 0.00 H new ATOM 0 HA VAL R 23 28.673 -3.249 18.633 1.00 0.00 H new ATOM 0 HB VAL R 23 29.568 -1.219 20.728 1.00 0.00 H new ATOM 0 HG11 VAL R 23 28.338 0.364 19.261 1.00 0.00 H new ATOM 0 HG12 VAL R 23 29.632 -0.463 18.361 1.00 0.00 H new ATOM 0 HG13 VAL R 23 27.939 -0.971 18.154 1.00 0.00 H new ATOM 0 HG21 VAL R 23 27.127 -0.826 21.081 1.00 0.00 H new ATOM 0 HG22 VAL R 23 26.754 -2.157 19.960 1.00 0.00 H new ATOM 0 HG23 VAL R 23 27.567 -2.497 21.507 1.00 0.00 H new ATOM 332 N ASP R 24 31.654 -3.248 19.844 1.00 0.00 N ATOM 333 CA ASP R 24 33.090 -3.180 19.477 1.00 0.00 C ATOM 334 C ASP R 24 33.430 -4.275 18.470 1.00 0.00 C ATOM 335 O ASP R 24 34.195 -4.061 17.553 1.00 0.00 O ATOM 336 CB ASP R 24 33.925 -3.400 20.746 1.00 0.00 C ATOM 337 CG ASP R 24 33.734 -2.214 21.693 1.00 0.00 C ATOM 338 OD1 ASP R 24 33.470 -1.142 21.171 1.00 0.00 O ATOM 339 OD2 ASP R 24 33.860 -2.446 22.885 1.00 0.00 O ATOM 0 H ASP R 24 31.456 -3.625 20.771 1.00 0.00 H new ATOM 0 HA ASP R 24 33.305 -2.208 19.033 1.00 0.00 H new ATOM 0 HB2 ASP R 24 33.622 -4.324 21.238 1.00 0.00 H new ATOM 0 HB3 ASP R 24 34.978 -3.507 20.487 1.00 0.00 H new ATOM 344 N LEU R 25 32.851 -5.428 18.660 1.00 0.00 N ATOM 345 CA LEU R 25 33.126 -6.549 17.721 1.00 0.00 C ATOM 346 C LEU R 25 32.636 -6.201 16.315 1.00 0.00 C ATOM 347 O LEU R 25 33.197 -6.630 15.320 1.00 0.00 O ATOM 348 CB LEU R 25 32.377 -7.788 18.232 1.00 0.00 C ATOM 349 CG LEU R 25 32.800 -8.061 19.680 1.00 0.00 C ATOM 350 CD1 LEU R 25 32.028 -9.269 20.215 1.00 0.00 C ATOM 351 CD2 LEU R 25 34.301 -8.362 19.724 1.00 0.00 C ATOM 0 H LEU R 25 32.204 -5.641 19.419 1.00 0.00 H new ATOM 0 HA LEU R 25 34.199 -6.737 17.673 1.00 0.00 H new ATOM 0 HB2 LEU R 25 31.300 -7.627 18.178 1.00 0.00 H new ATOM 0 HB3 LEU R 25 32.602 -8.650 17.604 1.00 0.00 H new ATOM 0 HG LEU R 25 32.584 -7.186 20.293 1.00 0.00 H new ATOM 0 HD11 LEU R 25 32.327 -9.465 21.245 1.00 0.00 H new ATOM 0 HD12 LEU R 25 30.958 -9.061 20.181 1.00 0.00 H new ATOM 0 HD13 LEU R 25 32.248 -10.142 19.601 1.00 0.00 H new ATOM 0 HD21 LEU R 25 34.603 -8.556 20.753 1.00 0.00 H new ATOM 0 HD22 LEU R 25 34.515 -9.238 19.112 1.00 0.00 H new ATOM 0 HD23 LEU R 25 34.855 -7.506 19.339 1.00 0.00 H new ATOM 363 N LEU R 26 31.586 -5.434 16.257 1.00 0.00 N ATOM 364 CA LEU R 26 31.053 -5.052 14.924 1.00 0.00 C ATOM 365 C LEU R 26 32.112 -4.277 14.141 1.00 0.00 C ATOM 366 O LEU R 26 32.354 -4.547 12.977 1.00 0.00 O ATOM 367 CB LEU R 26 29.819 -4.151 15.136 1.00 0.00 C ATOM 368 CG LEU R 26 29.295 -3.647 13.784 1.00 0.00 C ATOM 369 CD1 LEU R 26 28.998 -4.841 12.872 1.00 0.00 C ATOM 370 CD2 LEU R 26 28.005 -2.855 14.009 1.00 0.00 C ATOM 0 H LEU R 26 31.081 -5.060 17.061 1.00 0.00 H new ATOM 0 HA LEU R 26 30.783 -5.947 14.364 1.00 0.00 H new ATOM 0 HB2 LEU R 26 29.037 -4.707 15.653 1.00 0.00 H new ATOM 0 HB3 LEU R 26 30.082 -3.305 15.771 1.00 0.00 H new ATOM 0 HG LEU R 26 30.046 -3.010 13.317 1.00 0.00 H new ATOM 0 HD11 LEU R 26 28.626 -4.482 11.912 1.00 0.00 H new ATOM 0 HD12 LEU R 26 29.911 -5.415 12.715 1.00 0.00 H new ATOM 0 HD13 LEU R 26 28.245 -5.477 13.338 1.00 0.00 H new ATOM 0 HD21 LEU R 26 27.628 -2.494 13.052 1.00 0.00 H new ATOM 0 HD22 LEU R 26 27.259 -3.499 14.473 1.00 0.00 H new ATOM 0 HD23 LEU R 26 28.208 -2.006 14.662 1.00 0.00 H new ATOM 382 N LYS R 27 32.738 -3.337 14.797 1.00 0.00 N ATOM 383 CA LYS R 27 33.779 -2.540 14.106 1.00 0.00 C ATOM 384 C LYS R 27 34.969 -3.411 13.693 1.00 0.00 C ATOM 385 O LYS R 27 35.729 -3.042 12.819 1.00 0.00 O ATOM 386 CB LYS R 27 34.242 -1.419 15.058 1.00 0.00 C ATOM 387 CG LYS R 27 35.558 -1.800 15.748 1.00 0.00 C ATOM 388 CD LYS R 27 35.784 -0.872 16.947 1.00 0.00 C ATOM 389 CE LYS R 27 37.136 -1.194 17.595 1.00 0.00 C ATOM 390 NZ LYS R 27 37.457 -2.642 17.451 1.00 0.00 N ATOM 0 H LYS R 27 32.572 -3.092 15.773 1.00 0.00 H new ATOM 0 HA LYS R 27 33.359 -2.115 13.194 1.00 0.00 H new ATOM 0 HB2 LYS R 27 34.374 -0.492 14.499 1.00 0.00 H new ATOM 0 HB3 LYS R 27 33.474 -1.232 15.808 1.00 0.00 H new ATOM 0 HG2 LYS R 27 35.523 -2.838 16.078 1.00 0.00 H new ATOM 0 HG3 LYS R 27 36.388 -1.717 15.046 1.00 0.00 H new ATOM 0 HD2 LYS R 27 35.762 0.169 16.624 1.00 0.00 H new ATOM 0 HD3 LYS R 27 34.981 -0.997 17.674 1.00 0.00 H new ATOM 0 HE2 LYS R 27 37.919 -0.595 17.131 1.00 0.00 H new ATOM 0 HE3 LYS R 27 37.112 -0.925 18.651 1.00 0.00 H new ATOM 0 HZ1 LYS R 27 38.219 -2.896 18.112 1.00 0.00 H new ATOM 0 HZ2 LYS R 27 36.611 -3.208 17.664 1.00 0.00 H new ATOM 0 HZ3 LYS R 27 37.766 -2.834 16.477 1.00 0.00 H new ATOM 404 N ASN R 28 35.116 -4.549 14.327 1.00 0.00 N ATOM 405 CA ASN R 28 36.258 -5.437 13.963 1.00 0.00 C ATOM 406 C ASN R 28 36.031 -6.053 12.590 1.00 0.00 C ATOM 407 O ASN R 28 36.879 -5.968 11.724 1.00 0.00 O ATOM 408 CB ASN R 28 36.387 -6.564 14.989 1.00 0.00 C ATOM 409 CG ASN R 28 37.577 -6.270 15.902 1.00 0.00 C ATOM 410 OD1 ASN R 28 37.571 -5.182 16.621 1.00 0.00 O flip ATOM 411 ND2 ASN R 28 38.527 -7.025 15.964 1.00 0.00 N flip ATOM 0 H ASN R 28 34.506 -4.895 15.067 1.00 0.00 H new ATOM 0 HA ASN R 28 37.169 -4.838 13.949 1.00 0.00 H new ATOM 0 HB2 ASN R 28 35.472 -6.645 15.576 1.00 0.00 H new ATOM 0 HB3 ASN R 28 36.527 -7.519 14.484 1.00 0.00 H new ATOM 0 HD21 ASN R 28 38.538 -7.878 15.404 1.00 0.00 H new ATOM 0 HD22 ASN R 28 39.313 -6.806 16.576 1.00 0.00 H new ATOM 418 N ALA R 29 34.899 -6.679 12.415 1.00 0.00 N ATOM 419 CA ALA R 29 34.632 -7.295 11.087 1.00 0.00 C ATOM 420 C ALA R 29 34.746 -6.224 10.021 1.00 0.00 C ATOM 421 O ALA R 29 35.225 -6.460 8.936 1.00 0.00 O ATOM 422 CB ALA R 29 33.206 -7.855 11.077 1.00 0.00 C ATOM 0 H ALA R 29 34.165 -6.789 13.115 1.00 0.00 H new ATOM 0 HA ALA R 29 35.348 -8.094 10.894 1.00 0.00 H new ATOM 0 HB1 ALA R 29 33.000 -8.309 10.108 1.00 0.00 H new ATOM 0 HB2 ALA R 29 33.105 -8.608 11.859 1.00 0.00 H new ATOM 0 HB3 ALA R 29 32.497 -7.047 11.257 1.00 0.00 H new ATOM 428 N TYR R 30 34.291 -5.060 10.345 1.00 0.00 N ATOM 429 CA TYR R 30 34.378 -3.976 9.350 1.00 0.00 C ATOM 430 C TYR R 30 35.823 -3.751 8.961 1.00 0.00 C ATOM 431 O TYR R 30 36.234 -4.209 7.895 1.00 0.00 O ATOM 432 CB TYR R 30 33.841 -2.687 9.979 1.00 0.00 C ATOM 433 CG TYR R 30 32.485 -2.334 9.364 1.00 0.00 C ATOM 434 CD1 TYR R 30 32.376 -2.096 8.011 1.00 0.00 C ATOM 435 CD2 TYR R 30 31.359 -2.236 10.154 1.00 0.00 C ATOM 436 CE1 TYR R 30 31.161 -1.758 7.455 1.00 0.00 C ATOM 437 CE2 TYR R 30 30.142 -1.897 9.599 1.00 0.00 C ATOM 438 CZ TYR R 30 30.034 -1.657 8.245 1.00 0.00 C ATOM 439 OH TYR R 30 28.818 -1.320 7.686 1.00 0.00 O ATOM 0 H TYR R 30 33.869 -4.813 11.240 1.00 0.00 H new ATOM 0 HA TYR R 30 33.798 -4.247 8.468 1.00 0.00 H new ATOM 0 HB2 TYR R 30 33.740 -2.813 11.057 1.00 0.00 H new ATOM 0 HB3 TYR R 30 34.547 -1.872 9.818 1.00 0.00 H new ATOM 0 HD1 TYR R 30 33.250 -2.175 7.381 1.00 0.00 H new ATOM 0 HD2 TYR R 30 31.430 -2.426 11.215 1.00 0.00 H new ATOM 0 HE1 TYR R 30 31.090 -1.571 6.394 1.00 0.00 H new ATOM 0 HE2 TYR R 30 29.268 -1.819 10.229 1.00 0.00 H new ATOM 0 HH TYR R 30 28.132 -1.295 8.386 1.00 0.00 H new ATOM 449 N GLN R 31 36.560 -3.216 9.940 1.00 0.00 N ATOM 450 CA GLN R 31 38.015 -2.889 9.800 1.00 0.00 C ATOM 451 C GLN R 31 38.475 -3.069 8.383 1.00 0.00 C ATOM 452 O GLN R 31 38.807 -2.114 7.712 1.00 0.00 O ATOM 453 CB GLN R 31 38.821 -3.821 10.717 1.00 0.00 C ATOM 454 CG GLN R 31 40.132 -3.132 11.102 1.00 0.00 C ATOM 455 CD GLN R 31 39.943 -2.388 12.427 1.00 0.00 C ATOM 456 OE1 GLN R 31 39.966 -1.173 12.478 1.00 0.00 O ATOM 457 NE2 GLN R 31 39.753 -3.074 13.521 1.00 0.00 N ATOM 0 H GLN R 31 36.180 -2.991 10.859 1.00 0.00 H new ATOM 0 HA GLN R 31 38.169 -1.847 10.080 1.00 0.00 H new ATOM 0 HB2 GLN R 31 38.245 -4.060 11.611 1.00 0.00 H new ATOM 0 HB3 GLN R 31 39.026 -4.763 10.209 1.00 0.00 H new ATOM 0 HG2 GLN R 31 40.929 -3.869 11.196 1.00 0.00 H new ATOM 0 HG3 GLN R 31 40.433 -2.435 10.320 1.00 0.00 H new ATOM 0 HE21 GLN R 31 39.732 -4.093 13.487 1.00 0.00 H new ATOM 0 HE22 GLN R 31 39.625 -2.591 14.410 1.00 0.00 H new ATOM 466 N ASN R 32 38.481 -4.276 7.954 1.00 0.00 N ATOM 467 CA ASN R 32 38.914 -4.521 6.572 1.00 0.00 C ATOM 468 C ASN R 32 37.651 -4.514 5.707 1.00 0.00 C ATOM 469 O ASN R 32 37.215 -3.477 5.246 1.00 0.00 O ATOM 470 CB ASN R 32 39.650 -5.882 6.533 1.00 0.00 C ATOM 471 CG ASN R 32 40.774 -5.816 5.497 1.00 0.00 C ATOM 472 OD1 ASN R 32 40.574 -6.100 4.334 1.00 0.00 O ATOM 473 ND2 ASN R 32 41.965 -5.445 5.874 1.00 0.00 N ATOM 0 H ASN R 32 38.209 -5.100 8.490 1.00 0.00 H new ATOM 0 HA ASN R 32 39.603 -3.764 6.197 1.00 0.00 H new ATOM 0 HB2 ASN R 32 40.058 -6.117 7.516 1.00 0.00 H new ATOM 0 HB3 ASN R 32 38.952 -6.680 6.279 1.00 0.00 H new ATOM 0 HD21 ASN R 32 42.723 -5.395 5.193 1.00 0.00 H new ATOM 0 HD22 ASN R 32 42.139 -5.205 6.850 1.00 0.00 H new ATOM 480 N ASP R 33 37.096 -5.657 5.506 1.00 0.00 N ATOM 481 CA ASP R 33 35.873 -5.774 4.697 1.00 0.00 C ATOM 482 C ASP R 33 35.132 -6.997 5.188 1.00 0.00 C ATOM 483 O ASP R 33 34.344 -7.580 4.471 1.00 0.00 O ATOM 484 CB ASP R 33 36.272 -5.974 3.237 1.00 0.00 C ATOM 485 CG ASP R 33 36.763 -4.647 2.653 1.00 0.00 C ATOM 486 OD1 ASP R 33 36.035 -3.680 2.814 1.00 0.00 O ATOM 487 OD2 ASP R 33 37.840 -4.673 2.082 1.00 0.00 O ATOM 0 H ASP R 33 37.447 -6.539 5.878 1.00 0.00 H new ATOM 0 HA ASP R 33 35.250 -4.884 4.781 1.00 0.00 H new ATOM 0 HB2 ASP R 33 37.056 -6.728 3.164 1.00 0.00 H new ATOM 0 HB3 ASP R 33 35.421 -6.343 2.664 1.00 0.00 H new ATOM 492 N LEU R 34 35.394 -7.368 6.411 1.00 0.00 N ATOM 493 CA LEU R 34 34.707 -8.575 6.933 1.00 0.00 C ATOM 494 C LEU R 34 33.297 -8.313 7.454 1.00 0.00 C ATOM 495 O LEU R 34 32.732 -9.145 8.138 1.00 0.00 O ATOM 496 CB LEU R 34 35.594 -9.186 8.024 1.00 0.00 C ATOM 497 CG LEU R 34 36.528 -10.235 7.390 1.00 0.00 C ATOM 498 CD1 LEU R 34 37.427 -9.558 6.341 1.00 0.00 C ATOM 499 CD2 LEU R 34 37.419 -10.836 8.480 1.00 0.00 C ATOM 0 H LEU R 34 36.035 -6.902 7.053 1.00 0.00 H new ATOM 0 HA LEU R 34 34.568 -9.269 6.104 1.00 0.00 H new ATOM 0 HB2 LEU R 34 36.180 -8.407 8.511 1.00 0.00 H new ATOM 0 HB3 LEU R 34 34.977 -9.649 8.794 1.00 0.00 H new ATOM 0 HG LEU R 34 35.929 -11.014 6.918 1.00 0.00 H new ATOM 0 HD11 LEU R 34 38.087 -10.301 5.893 1.00 0.00 H new ATOM 0 HD12 LEU R 34 36.807 -9.110 5.565 1.00 0.00 H new ATOM 0 HD13 LEU R 34 38.025 -8.783 6.820 1.00 0.00 H new ATOM 0 HD21 LEU R 34 38.083 -11.579 8.039 1.00 0.00 H new ATOM 0 HD22 LEU R 34 38.013 -10.047 8.940 1.00 0.00 H new ATOM 0 HD23 LEU R 34 36.796 -11.310 9.238 1.00 0.00 H new ATOM 511 N HIS R 35 32.742 -7.180 7.126 1.00 0.00 N ATOM 512 CA HIS R 35 31.362 -6.901 7.616 1.00 0.00 C ATOM 513 C HIS R 35 30.337 -7.451 6.628 1.00 0.00 C ATOM 514 O HIS R 35 29.385 -8.078 7.020 1.00 0.00 O ATOM 515 CB HIS R 35 31.149 -5.390 7.768 1.00 0.00 C ATOM 516 CG HIS R 35 31.453 -4.679 6.447 1.00 0.00 C ATOM 517 ND1 HIS R 35 32.598 -4.576 5.912 1.00 0.00 N ATOM 518 CD2 HIS R 35 30.600 -4.005 5.594 1.00 0.00 C ATOM 519 CE1 HIS R 35 32.528 -3.908 4.822 1.00 0.00 C ATOM 520 NE2 HIS R 35 31.292 -3.514 4.556 1.00 0.00 N ATOM 0 H HIS R 35 33.170 -6.451 6.555 1.00 0.00 H new ATOM 0 HA HIS R 35 31.235 -7.385 8.585 1.00 0.00 H new ATOM 0 HB2 HIS R 35 30.121 -5.189 8.070 1.00 0.00 H new ATOM 0 HB3 HIS R 35 31.795 -5.002 8.556 1.00 0.00 H new ATOM 0 HD2 HIS R 35 29.536 -3.891 5.741 1.00 0.00 H new ATOM 0 HE1 HIS R 35 33.378 -3.691 4.193 1.00 0.00 H new ATOM 0 HE2 HIS R 35 30.952 -2.973 3.761 1.00 0.00 H new ATOM 528 N LEU R 36 30.598 -7.245 5.359 1.00 0.00 N ATOM 529 CA LEU R 36 29.663 -7.737 4.294 1.00 0.00 C ATOM 530 C LEU R 36 28.853 -8.978 4.717 1.00 0.00 C ATOM 531 O LEU R 36 27.640 -8.926 4.725 1.00 0.00 O ATOM 532 CB LEU R 36 30.484 -8.060 3.033 1.00 0.00 C ATOM 533 CG LEU R 36 30.313 -6.955 1.973 1.00 0.00 C ATOM 534 CD1 LEU R 36 28.848 -6.903 1.499 1.00 0.00 C ATOM 535 CD2 LEU R 36 30.755 -5.591 2.546 1.00 0.00 C ATOM 0 H LEU R 36 31.423 -6.755 5.012 1.00 0.00 H new ATOM 0 HA LEU R 36 28.937 -6.946 4.104 1.00 0.00 H new ATOM 0 HB2 LEU R 36 31.537 -8.160 3.295 1.00 0.00 H new ATOM 0 HB3 LEU R 36 30.166 -9.018 2.621 1.00 0.00 H new ATOM 0 HG LEU R 36 30.945 -7.183 1.115 1.00 0.00 H new ATOM 0 HD11 LEU R 36 28.736 -6.119 0.750 1.00 0.00 H new ATOM 0 HD12 LEU R 36 28.572 -7.863 1.064 1.00 0.00 H new ATOM 0 HD13 LEU R 36 28.198 -6.689 2.348 1.00 0.00 H new ATOM 0 HD21 LEU R 36 30.629 -4.819 1.787 1.00 0.00 H new ATOM 0 HD22 LEU R 36 30.145 -5.347 3.416 1.00 0.00 H new ATOM 0 HD23 LEU R 36 31.803 -5.642 2.840 1.00 0.00 H new ATOM 547 N PRO R 37 29.507 -10.078 5.054 1.00 0.00 N ATOM 548 CA PRO R 37 28.772 -11.286 5.467 1.00 0.00 C ATOM 549 C PRO R 37 27.830 -11.027 6.654 1.00 0.00 C ATOM 550 O PRO R 37 26.635 -10.921 6.472 1.00 0.00 O ATOM 551 CB PRO R 37 29.861 -12.288 5.873 1.00 0.00 C ATOM 552 CG PRO R 37 31.224 -11.559 5.781 1.00 0.00 C ATOM 553 CD PRO R 37 30.984 -10.239 5.040 1.00 0.00 C ATOM 0 HA PRO R 37 28.135 -11.645 4.658 1.00 0.00 H new ATOM 0 HB2 PRO R 37 29.689 -12.652 6.886 1.00 0.00 H new ATOM 0 HB3 PRO R 37 29.846 -13.157 5.215 1.00 0.00 H new ATOM 0 HG2 PRO R 37 31.629 -11.373 6.776 1.00 0.00 H new ATOM 0 HG3 PRO R 37 31.953 -12.171 5.250 1.00 0.00 H new ATOM 0 HD2 PRO R 37 31.480 -9.406 5.538 1.00 0.00 H new ATOM 0 HD3 PRO R 37 31.371 -10.278 4.022 1.00 0.00 H new ATOM 561 N LEU R 38 28.375 -10.927 7.845 1.00 0.00 N ATOM 562 CA LEU R 38 27.491 -10.677 9.019 1.00 0.00 C ATOM 563 C LEU R 38 26.632 -9.447 8.780 1.00 0.00 C ATOM 564 O LEU R 38 25.465 -9.441 9.109 1.00 0.00 O ATOM 565 CB LEU R 38 28.362 -10.533 10.290 1.00 0.00 C ATOM 566 CG LEU R 38 28.421 -9.085 10.800 1.00 0.00 C ATOM 567 CD1 LEU R 38 27.075 -8.670 11.420 1.00 0.00 C ATOM 568 CD2 LEU R 38 29.487 -9.011 11.887 1.00 0.00 C ATOM 0 H LEU R 38 29.371 -11.006 8.048 1.00 0.00 H new ATOM 0 HA LEU R 38 26.814 -11.520 9.161 1.00 0.00 H new ATOM 0 HB2 LEU R 38 27.963 -11.176 11.075 1.00 0.00 H new ATOM 0 HB3 LEU R 38 29.372 -10.881 10.076 1.00 0.00 H new ATOM 0 HG LEU R 38 28.648 -8.421 9.966 1.00 0.00 H new ATOM 0 HD11 LEU R 38 27.139 -7.641 11.775 1.00 0.00 H new ATOM 0 HD12 LEU R 38 26.289 -8.746 10.668 1.00 0.00 H new ATOM 0 HD13 LEU R 38 26.842 -9.328 12.257 1.00 0.00 H new ATOM 0 HD21 LEU R 38 29.549 -7.991 12.267 1.00 0.00 H new ATOM 0 HD22 LEU R 38 29.224 -9.686 12.701 1.00 0.00 H new ATOM 0 HD23 LEU R 38 30.451 -9.303 11.471 1.00 0.00 H new ATOM 580 N LEU R 39 27.214 -8.422 8.236 1.00 0.00 N ATOM 581 CA LEU R 39 26.401 -7.197 7.980 1.00 0.00 C ATOM 582 C LEU R 39 25.099 -7.627 7.323 1.00 0.00 C ATOM 583 O LEU R 39 24.031 -7.421 7.855 1.00 0.00 O ATOM 584 CB LEU R 39 27.184 -6.284 7.023 1.00 0.00 C ATOM 585 CG LEU R 39 26.552 -4.884 6.910 1.00 0.00 C ATOM 586 CD1 LEU R 39 25.147 -4.967 6.286 1.00 0.00 C ATOM 587 CD2 LEU R 39 26.492 -4.204 8.287 1.00 0.00 C ATOM 0 H LEU R 39 28.195 -8.372 7.961 1.00 0.00 H new ATOM 0 HA LEU R 39 26.193 -6.662 8.907 1.00 0.00 H new ATOM 0 HB2 LEU R 39 28.212 -6.190 7.373 1.00 0.00 H new ATOM 0 HB3 LEU R 39 27.224 -6.744 6.036 1.00 0.00 H new ATOM 0 HG LEU R 39 27.180 -4.280 6.255 1.00 0.00 H new ATOM 0 HD11 LEU R 39 24.720 -3.966 6.216 1.00 0.00 H new ATOM 0 HD12 LEU R 39 25.217 -5.402 5.289 1.00 0.00 H new ATOM 0 HD13 LEU R 39 24.508 -5.591 6.910 1.00 0.00 H new ATOM 0 HD21 LEU R 39 26.042 -3.216 8.186 1.00 0.00 H new ATOM 0 HD22 LEU R 39 25.890 -4.809 8.966 1.00 0.00 H new ATOM 0 HD23 LEU R 39 27.501 -4.104 8.688 1.00 0.00 H new ATOM 599 N ASN R 40 25.223 -8.192 6.159 1.00 0.00 N ATOM 600 CA ASN R 40 24.012 -8.657 5.435 1.00 0.00 C ATOM 601 C ASN R 40 23.061 -9.436 6.359 1.00 0.00 C ATOM 602 O ASN R 40 21.860 -9.333 6.231 1.00 0.00 O ATOM 603 CB ASN R 40 24.466 -9.582 4.298 1.00 0.00 C ATOM 604 CG ASN R 40 23.278 -10.415 3.814 1.00 0.00 C ATOM 605 OD1 ASN R 40 22.895 -11.389 4.432 1.00 0.00 O ATOM 606 ND2 ASN R 40 22.670 -10.071 2.712 1.00 0.00 N ATOM 0 H ASN R 40 26.108 -8.352 5.678 1.00 0.00 H new ATOM 0 HA ASN R 40 23.474 -7.788 5.056 1.00 0.00 H new ATOM 0 HB2 ASN R 40 24.870 -8.993 3.475 1.00 0.00 H new ATOM 0 HB3 ASN R 40 25.266 -10.236 4.645 1.00 0.00 H new ATOM 0 HD21 ASN R 40 21.878 -10.618 2.374 1.00 0.00 H new ATOM 0 HD22 ASN R 40 22.986 -9.255 2.188 1.00 0.00 H new ATOM 613 N LEU R 41 23.605 -10.208 7.271 1.00 0.00 N ATOM 614 CA LEU R 41 22.708 -10.983 8.187 1.00 0.00 C ATOM 615 C LEU R 41 21.706 -10.056 8.871 1.00 0.00 C ATOM 616 O LEU R 41 20.691 -10.496 9.373 1.00 0.00 O ATOM 617 CB LEU R 41 23.564 -11.655 9.279 1.00 0.00 C ATOM 618 CG LEU R 41 22.714 -12.676 10.055 1.00 0.00 C ATOM 619 CD1 LEU R 41 22.302 -13.825 9.127 1.00 0.00 C ATOM 620 CD2 LEU R 41 23.540 -13.239 11.211 1.00 0.00 C ATOM 0 H LEU R 41 24.606 -10.334 7.419 1.00 0.00 H new ATOM 0 HA LEU R 41 22.170 -11.727 7.599 1.00 0.00 H new ATOM 0 HB2 LEU R 41 24.422 -12.152 8.826 1.00 0.00 H new ATOM 0 HB3 LEU R 41 23.956 -10.901 9.962 1.00 0.00 H new ATOM 0 HG LEU R 41 21.820 -12.184 10.438 1.00 0.00 H new ATOM 0 HD11 LEU R 41 21.701 -14.544 9.683 1.00 0.00 H new ATOM 0 HD12 LEU R 41 21.718 -13.430 8.296 1.00 0.00 H new ATOM 0 HD13 LEU R 41 23.194 -14.319 8.742 1.00 0.00 H new ATOM 0 HD21 LEU R 41 22.943 -13.963 11.765 1.00 0.00 H new ATOM 0 HD22 LEU R 41 24.431 -13.728 10.817 1.00 0.00 H new ATOM 0 HD23 LEU R 41 23.835 -12.428 11.876 1.00 0.00 H new ATOM 632 N MET R 42 22.015 -8.789 8.862 1.00 0.00 N ATOM 633 CA MET R 42 21.110 -7.793 9.505 1.00 0.00 C ATOM 634 C MET R 42 20.579 -6.773 8.488 1.00 0.00 C ATOM 635 O MET R 42 20.235 -5.666 8.850 1.00 0.00 O ATOM 636 CB MET R 42 21.939 -7.045 10.563 1.00 0.00 C ATOM 637 CG MET R 42 21.056 -6.547 11.719 1.00 0.00 C ATOM 638 SD MET R 42 19.265 -6.450 11.473 1.00 0.00 S ATOM 639 CE MET R 42 18.813 -7.724 12.679 1.00 0.00 C ATOM 0 H MET R 42 22.856 -8.399 8.437 1.00 0.00 H new ATOM 0 HA MET R 42 20.254 -8.310 9.939 1.00 0.00 H new ATOM 0 HB2 MET R 42 22.714 -7.705 10.953 1.00 0.00 H new ATOM 0 HB3 MET R 42 22.445 -6.198 10.099 1.00 0.00 H new ATOM 0 HG2 MET R 42 21.236 -7.197 12.575 1.00 0.00 H new ATOM 0 HG3 MET R 42 21.405 -5.552 11.995 1.00 0.00 H new ATOM 0 HE1 MET R 42 17.729 -7.838 12.699 1.00 0.00 H new ATOM 0 HE2 MET R 42 19.272 -8.671 12.397 1.00 0.00 H new ATOM 0 HE3 MET R 42 19.165 -7.430 13.668 1.00 0.00 H new ATOM 649 N LEU R 43 20.521 -7.158 7.240 1.00 0.00 N ATOM 650 CA LEU R 43 20.017 -6.213 6.206 1.00 0.00 C ATOM 651 C LEU R 43 18.490 -6.154 6.193 1.00 0.00 C ATOM 652 O LEU R 43 17.901 -5.642 5.263 1.00 0.00 O ATOM 653 CB LEU R 43 20.495 -6.697 4.833 1.00 0.00 C ATOM 654 CG LEU R 43 21.627 -5.787 4.344 1.00 0.00 C ATOM 655 CD1 LEU R 43 22.223 -6.360 3.051 1.00 0.00 C ATOM 656 CD2 LEU R 43 21.088 -4.376 4.063 1.00 0.00 C ATOM 0 H LEU R 43 20.798 -8.077 6.896 1.00 0.00 H new ATOM 0 HA LEU R 43 20.398 -5.218 6.435 1.00 0.00 H new ATOM 0 HB2 LEU R 43 20.843 -7.728 4.899 1.00 0.00 H new ATOM 0 HB3 LEU R 43 19.669 -6.684 4.122 1.00 0.00 H new ATOM 0 HG LEU R 43 22.394 -5.734 5.117 1.00 0.00 H new ATOM 0 HD11 LEU R 43 23.028 -5.713 2.703 1.00 0.00 H new ATOM 0 HD12 LEU R 43 22.617 -7.358 3.243 1.00 0.00 H new ATOM 0 HD13 LEU R 43 21.448 -6.417 2.287 1.00 0.00 H new ATOM 0 HD21 LEU R 43 21.901 -3.738 3.716 1.00 0.00 H new ATOM 0 HD22 LEU R 43 20.315 -4.428 3.296 1.00 0.00 H new ATOM 0 HD23 LEU R 43 20.665 -3.959 4.977 1.00 0.00 H new ATOM 668 N THR R 44 17.882 -6.689 7.215 1.00 0.00 N ATOM 669 CA THR R 44 16.392 -6.666 7.267 1.00 0.00 C ATOM 670 C THR R 44 15.872 -5.283 6.835 1.00 0.00 C ATOM 671 O THR R 44 16.542 -4.292 7.038 1.00 0.00 O ATOM 672 CB THR R 44 15.970 -6.926 8.716 1.00 0.00 C ATOM 673 OG1 THR R 44 16.777 -6.066 9.497 1.00 0.00 O ATOM 674 CG2 THR R 44 16.379 -8.337 9.152 1.00 0.00 C ATOM 0 H THR R 44 18.344 -7.136 8.007 1.00 0.00 H new ATOM 0 HA THR R 44 15.983 -7.423 6.598 1.00 0.00 H new ATOM 0 HB THR R 44 14.894 -6.788 8.822 1.00 0.00 H new ATOM 0 HG1 THR R 44 17.441 -6.595 9.986 1.00 0.00 H new ATOM 0 HG21 THR R 44 16.071 -8.503 10.184 1.00 0.00 H new ATOM 0 HG22 THR R 44 15.897 -9.071 8.507 1.00 0.00 H new ATOM 0 HG23 THR R 44 17.461 -8.442 9.075 1.00 0.00 H new ATOM 682 N PRO R 45 14.688 -5.225 6.253 1.00 0.00 N ATOM 683 CA PRO R 45 14.122 -3.940 5.809 1.00 0.00 C ATOM 684 C PRO R 45 14.217 -2.870 6.896 1.00 0.00 C ATOM 685 O PRO R 45 14.346 -1.698 6.602 1.00 0.00 O ATOM 686 CB PRO R 45 12.648 -4.251 5.501 1.00 0.00 C ATOM 687 CG PRO R 45 12.463 -5.787 5.590 1.00 0.00 C ATOM 688 CD PRO R 45 13.808 -6.391 6.024 1.00 0.00 C ATOM 0 HA PRO R 45 14.663 -3.544 4.950 1.00 0.00 H new ATOM 0 HB2 PRO R 45 11.994 -3.745 6.211 1.00 0.00 H new ATOM 0 HB3 PRO R 45 12.380 -3.890 4.508 1.00 0.00 H new ATOM 0 HG2 PRO R 45 11.681 -6.038 6.307 1.00 0.00 H new ATOM 0 HG3 PRO R 45 12.154 -6.192 4.626 1.00 0.00 H new ATOM 0 HD2 PRO R 45 13.700 -6.989 6.929 1.00 0.00 H new ATOM 0 HD3 PRO R 45 14.214 -7.048 5.255 1.00 0.00 H new ATOM 696 N ASP R 46 14.158 -3.290 8.129 1.00 0.00 N ATOM 697 CA ASP R 46 14.244 -2.307 9.240 1.00 0.00 C ATOM 698 C ASP R 46 15.526 -1.482 9.137 1.00 0.00 C ATOM 699 O ASP R 46 15.486 -0.269 9.080 1.00 0.00 O ATOM 700 CB ASP R 46 14.266 -3.081 10.562 1.00 0.00 C ATOM 701 CG ASP R 46 13.280 -2.443 11.542 1.00 0.00 C ATOM 702 OD1 ASP R 46 13.625 -1.389 12.048 1.00 0.00 O ATOM 703 OD2 ASP R 46 12.237 -3.048 11.730 1.00 0.00 O ATOM 0 H ASP R 46 14.055 -4.264 8.412 1.00 0.00 H new ATOM 0 HA ASP R 46 13.389 -1.633 9.189 1.00 0.00 H new ATOM 0 HB2 ASP R 46 14.001 -4.124 10.390 1.00 0.00 H new ATOM 0 HB3 ASP R 46 15.271 -3.073 10.984 1.00 0.00 H new ATOM 708 N GLU R 47 16.641 -2.163 9.114 1.00 0.00 N ATOM 709 CA GLU R 47 17.942 -1.445 9.014 1.00 0.00 C ATOM 710 C GLU R 47 18.125 -0.816 7.633 1.00 0.00 C ATOM 711 O GLU R 47 18.528 0.324 7.517 1.00 0.00 O ATOM 712 CB GLU R 47 19.066 -2.467 9.239 1.00 0.00 C ATOM 713 CG GLU R 47 20.410 -1.737 9.319 1.00 0.00 C ATOM 714 CD GLU R 47 21.531 -2.769 9.470 1.00 0.00 C ATOM 715 OE1 GLU R 47 21.792 -3.120 10.609 1.00 0.00 O ATOM 716 OE2 GLU R 47 22.060 -3.147 8.438 1.00 0.00 O ATOM 0 H GLU R 47 16.706 -3.180 9.160 1.00 0.00 H new ATOM 0 HA GLU R 47 17.966 -0.650 9.759 1.00 0.00 H new ATOM 0 HB2 GLU R 47 18.887 -3.024 10.159 1.00 0.00 H new ATOM 0 HB3 GLU R 47 19.081 -3.192 8.425 1.00 0.00 H new ATOM 0 HG2 GLU R 47 20.567 -1.139 8.421 1.00 0.00 H new ATOM 0 HG3 GLU R 47 20.415 -1.050 10.165 1.00 0.00 H new ATOM 723 N ARG R 48 17.832 -1.580 6.615 1.00 0.00 N ATOM 724 CA ARG R 48 17.978 -1.059 5.228 1.00 0.00 C ATOM 725 C ARG R 48 17.519 0.396 5.119 1.00 0.00 C ATOM 726 O ARG R 48 18.276 1.260 4.721 1.00 0.00 O ATOM 727 CB ARG R 48 17.101 -1.915 4.307 1.00 0.00 C ATOM 728 CG ARG R 48 17.368 -1.536 2.849 1.00 0.00 C ATOM 729 CD ARG R 48 16.660 -2.541 1.935 1.00 0.00 C ATOM 730 NE ARG R 48 16.141 -1.827 0.736 1.00 0.00 N ATOM 731 CZ ARG R 48 16.957 -1.111 0.014 1.00 0.00 C ATOM 732 NH1 ARG R 48 18.143 -1.586 -0.254 1.00 0.00 N ATOM 733 NH2 ARG R 48 16.561 0.056 -0.419 1.00 0.00 N ATOM 0 H ARG R 48 17.498 -2.541 6.685 1.00 0.00 H new ATOM 0 HA ARG R 48 19.030 -1.106 4.947 1.00 0.00 H new ATOM 0 HB2 ARG R 48 17.315 -2.972 4.464 1.00 0.00 H new ATOM 0 HB3 ARG R 48 16.048 -1.764 4.546 1.00 0.00 H new ATOM 0 HG2 ARG R 48 17.007 -0.527 2.650 1.00 0.00 H new ATOM 0 HG3 ARG R 48 18.440 -1.536 2.650 1.00 0.00 H new ATOM 0 HD2 ARG R 48 17.352 -3.328 1.634 1.00 0.00 H new ATOM 0 HD3 ARG R 48 15.841 -3.023 2.469 1.00 0.00 H new ATOM 0 HE ARG R 48 15.156 -1.897 0.482 1.00 0.00 H new ATOM 0 HH11 ARG R 48 18.417 -2.502 0.100 1.00 0.00 H new ATOM 0 HH12 ARG R 48 18.795 -1.041 -0.817 1.00 0.00 H new ATOM 0 HH21 ARG R 48 15.626 0.394 -0.191 1.00 0.00 H new ATOM 0 HH22 ARG R 48 17.187 0.629 -0.985 1.00 0.00 H new ATOM 747 N GLU R 49 16.290 0.641 5.479 1.00 0.00 N ATOM 748 CA GLU R 49 15.767 2.033 5.403 1.00 0.00 C ATOM 749 C GLU R 49 16.591 2.980 6.277 1.00 0.00 C ATOM 750 O GLU R 49 17.187 3.921 5.789 1.00 0.00 O ATOM 751 CB GLU R 49 14.321 2.036 5.920 1.00 0.00 C ATOM 752 CG GLU R 49 13.441 1.182 5.003 1.00 0.00 C ATOM 753 CD GLU R 49 11.999 1.209 5.519 1.00 0.00 C ATOM 754 OE1 GLU R 49 11.841 1.622 6.655 1.00 0.00 O ATOM 755 OE2 GLU R 49 11.140 0.813 4.749 1.00 0.00 O ATOM 0 H GLU R 49 15.629 -0.057 5.820 1.00 0.00 H new ATOM 0 HA GLU R 49 15.823 2.372 4.368 1.00 0.00 H new ATOM 0 HB2 GLU R 49 14.288 1.646 6.937 1.00 0.00 H new ATOM 0 HB3 GLU R 49 13.940 3.057 5.957 1.00 0.00 H new ATOM 0 HG2 GLU R 49 13.482 1.563 3.982 1.00 0.00 H new ATOM 0 HG3 GLU R 49 13.811 0.157 4.976 1.00 0.00 H new ATOM 762 N ALA R 50 16.606 2.712 7.553 1.00 0.00 N ATOM 763 CA ALA R 50 17.380 3.581 8.481 1.00 0.00 C ATOM 764 C ALA R 50 18.806 3.801 7.978 1.00 0.00 C ATOM 765 O ALA R 50 19.519 4.648 8.483 1.00 0.00 O ATOM 766 CB ALA R 50 17.444 2.880 9.845 1.00 0.00 C ATOM 0 H ALA R 50 16.117 1.931 7.992 1.00 0.00 H new ATOM 0 HA ALA R 50 16.888 4.551 8.550 1.00 0.00 H new ATOM 0 HB1 ALA R 50 18.007 3.497 10.545 1.00 0.00 H new ATOM 0 HB2 ALA R 50 16.433 2.730 10.225 1.00 0.00 H new ATOM 0 HB3 ALA R 50 17.937 1.914 9.735 1.00 0.00 H new ATOM 772 N LEU R 51 19.194 3.048 6.986 1.00 0.00 N ATOM 773 CA LEU R 51 20.572 3.210 6.449 1.00 0.00 C ATOM 774 C LEU R 51 20.663 4.425 5.530 1.00 0.00 C ATOM 775 O LEU R 51 21.273 5.419 5.870 1.00 0.00 O ATOM 776 CB LEU R 51 20.935 1.936 5.651 1.00 0.00 C ATOM 777 CG LEU R 51 22.437 1.646 5.727 1.00 0.00 C ATOM 778 CD1 LEU R 51 23.244 2.914 5.399 1.00 0.00 C ATOM 779 CD2 LEU R 51 22.790 1.141 7.133 1.00 0.00 C ATOM 0 H LEU R 51 18.624 2.336 6.529 1.00 0.00 H new ATOM 0 HA LEU R 51 21.264 3.359 7.278 1.00 0.00 H new ATOM 0 HB2 LEU R 51 20.377 1.086 6.044 1.00 0.00 H new ATOM 0 HB3 LEU R 51 20.638 2.059 4.610 1.00 0.00 H new ATOM 0 HG LEU R 51 22.690 0.879 4.995 1.00 0.00 H new ATOM 0 HD11 LEU R 51 24.310 2.692 5.457 1.00 0.00 H new ATOM 0 HD12 LEU R 51 22.998 3.252 4.392 1.00 0.00 H new ATOM 0 HD13 LEU R 51 22.997 3.698 6.115 1.00 0.00 H new ATOM 0 HD21 LEU R 51 23.859 0.934 7.188 1.00 0.00 H new ATOM 0 HD22 LEU R 51 22.529 1.902 7.869 1.00 0.00 H new ATOM 0 HD23 LEU R 51 22.233 0.228 7.342 1.00 0.00 H new ATOM 791 N GLY R 52 20.058 4.326 4.380 1.00 0.00 N ATOM 792 CA GLY R 52 20.106 5.468 3.435 1.00 0.00 C ATOM 793 C GLY R 52 19.695 6.766 4.138 1.00 0.00 C ATOM 794 O GLY R 52 20.099 7.843 3.745 1.00 0.00 O ATOM 0 H GLY R 52 19.537 3.510 4.058 1.00 0.00 H new ATOM 0 HA2 GLY R 52 21.113 5.570 3.030 1.00 0.00 H new ATOM 0 HA3 GLY R 52 19.441 5.278 2.592 1.00 0.00 H new ATOM 798 N THR R 53 18.898 6.644 5.165 1.00 0.00 N ATOM 799 CA THR R 53 18.461 7.864 5.894 1.00 0.00 C ATOM 800 C THR R 53 19.629 8.471 6.662 1.00 0.00 C ATOM 801 O THR R 53 19.891 9.652 6.564 1.00 0.00 O ATOM 802 CB THR R 53 17.362 7.486 6.888 1.00 0.00 C ATOM 803 OG1 THR R 53 17.272 6.074 6.826 1.00 0.00 O ATOM 804 CG2 THR R 53 15.997 7.986 6.400 1.00 0.00 C ATOM 0 H THR R 53 18.535 5.762 5.526 1.00 0.00 H new ATOM 0 HA THR R 53 18.090 8.592 5.173 1.00 0.00 H new ATOM 0 HB THR R 53 17.590 7.898 7.871 1.00 0.00 H new ATOM 0 HG1 THR R 53 16.780 5.813 6.020 1.00 0.00 H new ATOM 0 HG21 THR R 53 15.228 7.707 7.121 1.00 0.00 H new ATOM 0 HG22 THR R 53 16.022 9.071 6.298 1.00 0.00 H new ATOM 0 HG23 THR R 53 15.769 7.536 5.434 1.00 0.00 H new ATOM 812 N ARG R 54 20.309 7.655 7.420 1.00 0.00 N ATOM 813 CA ARG R 54 21.460 8.187 8.190 1.00 0.00 C ATOM 814 C ARG R 54 22.519 8.730 7.237 1.00 0.00 C ATOM 815 O ARG R 54 23.372 9.504 7.622 1.00 0.00 O ATOM 816 CB ARG R 54 22.068 7.051 9.013 1.00 0.00 C ATOM 817 CG ARG R 54 23.457 7.474 9.492 1.00 0.00 C ATOM 818 CD ARG R 54 23.866 6.601 10.675 1.00 0.00 C ATOM 819 NE ARG R 54 23.329 5.228 10.464 1.00 0.00 N ATOM 820 CZ ARG R 54 23.938 4.209 11.010 1.00 0.00 C ATOM 821 NH1 ARG R 54 24.908 4.432 11.856 1.00 0.00 N ATOM 822 NH2 ARG R 54 23.552 3.003 10.697 1.00 0.00 N ATOM 0 H ARG R 54 20.119 6.660 7.537 1.00 0.00 H new ATOM 0 HA ARG R 54 21.119 8.990 8.843 1.00 0.00 H new ATOM 0 HB2 ARG R 54 21.430 6.820 9.866 1.00 0.00 H new ATOM 0 HB3 ARG R 54 22.137 6.145 8.411 1.00 0.00 H new ATOM 0 HG2 ARG R 54 24.180 7.373 8.683 1.00 0.00 H new ATOM 0 HG3 ARG R 54 23.450 8.524 9.784 1.00 0.00 H new ATOM 0 HD2 ARG R 54 24.952 6.572 10.766 1.00 0.00 H new ATOM 0 HD3 ARG R 54 23.480 7.019 11.604 1.00 0.00 H new ATOM 0 HE ARG R 54 22.493 5.084 9.898 1.00 0.00 H new ATOM 0 HH11 ARG R 54 25.179 5.389 12.081 1.00 0.00 H new ATOM 0 HH12 ARG R 54 25.395 3.649 12.292 1.00 0.00 H new ATOM 0 HH21 ARG R 54 22.787 2.868 10.036 1.00 0.00 H new ATOM 0 HH22 ARG R 54 24.015 2.195 11.113 1.00 0.00 H new ATOM 836 N VAL R 55 22.448 8.297 6.008 1.00 0.00 N ATOM 837 CA VAL R 55 23.438 8.773 5.010 1.00 0.00 C ATOM 838 C VAL R 55 23.056 10.166 4.517 1.00 0.00 C ATOM 839 O VAL R 55 23.907 10.980 4.217 1.00 0.00 O ATOM 840 CB VAL R 55 23.419 7.806 3.817 1.00 0.00 C ATOM 841 CG1 VAL R 55 24.295 8.373 2.700 1.00 0.00 C ATOM 842 CG2 VAL R 55 23.967 6.446 4.260 1.00 0.00 C ATOM 0 H VAL R 55 21.752 7.639 5.657 1.00 0.00 H new ATOM 0 HA VAL R 55 24.428 8.813 5.465 1.00 0.00 H new ATOM 0 HB VAL R 55 22.398 7.684 3.454 1.00 0.00 H new ATOM 0 HG11 VAL R 55 24.286 7.692 1.849 1.00 0.00 H new ATOM 0 HG12 VAL R 55 23.908 9.344 2.391 1.00 0.00 H new ATOM 0 HG13 VAL R 55 25.317 8.489 3.062 1.00 0.00 H new ATOM 0 HG21 VAL R 55 23.955 5.756 3.416 1.00 0.00 H new ATOM 0 HG22 VAL R 55 24.990 6.565 4.617 1.00 0.00 H new ATOM 0 HG23 VAL R 55 23.346 6.048 5.063 1.00 0.00 H new ATOM 852 N ARG R 56 21.774 10.412 4.448 1.00 0.00 N ATOM 853 CA ARG R 56 21.301 11.741 3.978 1.00 0.00 C ATOM 854 C ARG R 56 21.961 12.868 4.764 1.00 0.00 C ATOM 855 O ARG R 56 22.750 13.614 4.230 1.00 0.00 O ATOM 856 CB ARG R 56 19.783 11.813 4.189 1.00 0.00 C ATOM 857 CG ARG R 56 19.098 10.893 3.175 1.00 0.00 C ATOM 858 CD ARG R 56 18.882 11.650 1.863 1.00 0.00 C ATOM 859 NE ARG R 56 19.121 10.722 0.727 1.00 0.00 N ATOM 860 CZ ARG R 56 20.004 11.041 -0.181 1.00 0.00 C ATOM 861 NH1 ARG R 56 19.645 11.825 -1.162 1.00 0.00 N ATOM 862 NH2 ARG R 56 21.216 10.570 -0.076 1.00 0.00 N ATOM 0 H ARG R 56 21.038 9.750 4.697 1.00 0.00 H new ATOM 0 HA ARG R 56 21.560 11.858 2.926 1.00 0.00 H new ATOM 0 HB2 ARG R 56 19.529 11.510 5.205 1.00 0.00 H new ATOM 0 HB3 ARG R 56 19.433 12.838 4.065 1.00 0.00 H new ATOM 0 HG2 ARG R 56 19.710 10.008 3.000 1.00 0.00 H new ATOM 0 HG3 ARG R 56 18.142 10.547 3.569 1.00 0.00 H new ATOM 0 HD2 ARG R 56 17.868 12.046 1.819 1.00 0.00 H new ATOM 0 HD3 ARG R 56 19.560 12.502 1.803 1.00 0.00 H new ATOM 0 HE ARG R 56 18.602 9.847 0.657 1.00 0.00 H new ATOM 0 HH11 ARG R 56 18.689 12.177 -1.210 1.00 0.00 H new ATOM 0 HH12 ARG R 56 20.321 12.085 -1.880 1.00 0.00 H new ATOM 0 HH21 ARG R 56 21.461 9.963 0.706 1.00 0.00 H new ATOM 0 HH22 ARG R 56 21.918 10.809 -0.776 1.00 0.00 H new ATOM 876 N ILE R 57 21.624 12.973 6.017 1.00 0.00 N ATOM 877 CA ILE R 57 22.224 14.042 6.845 1.00 0.00 C ATOM 878 C ILE R 57 23.722 14.142 6.592 1.00 0.00 C ATOM 879 O ILE R 57 24.180 15.047 5.925 1.00 0.00 O ATOM 880 CB ILE R 57 22.007 13.698 8.314 1.00 0.00 C ATOM 881 CG1 ILE R 57 21.684 12.214 8.468 1.00 0.00 C ATOM 882 CG2 ILE R 57 20.827 14.522 8.830 1.00 0.00 C ATOM 883 CD1 ILE R 57 21.605 11.858 9.955 1.00 0.00 C ATOM 0 H ILE R 57 20.961 12.365 6.499 1.00 0.00 H new ATOM 0 HA ILE R 57 21.755 14.992 6.589 1.00 0.00 H new ATOM 0 HB ILE R 57 22.912 13.921 8.879 1.00 0.00 H new ATOM 0 HG12 ILE R 57 20.738 11.985 7.978 1.00 0.00 H new ATOM 0 HG13 ILE R 57 22.450 11.612 7.980 1.00 0.00 H new ATOM 0 HG21 ILE R 57 20.654 14.291 9.881 1.00 0.00 H new ATOM 0 HG22 ILE R 57 21.050 15.584 8.724 1.00 0.00 H new ATOM 0 HG23 ILE R 57 19.934 14.280 8.254 1.00 0.00 H new ATOM 0 HD11 ILE R 57 21.374 10.798 10.064 1.00 0.00 H new ATOM 0 HD12 ILE R 57 22.562 12.072 10.432 1.00 0.00 H new ATOM 0 HD13 ILE R 57 20.823 12.450 10.430 1.00 0.00 H new ATOM 895 N VAL R 58 24.448 13.209 7.154 1.00 0.00 N ATOM 896 CA VAL R 58 25.931 13.202 6.973 1.00 0.00 C ATOM 897 C VAL R 58 26.327 13.711 5.586 1.00 0.00 C ATOM 898 O VAL R 58 27.086 14.655 5.459 1.00 0.00 O ATOM 899 CB VAL R 58 26.424 11.755 7.112 1.00 0.00 C ATOM 900 CG1 VAL R 58 27.943 11.719 6.933 1.00 0.00 C ATOM 901 CG2 VAL R 58 26.070 11.224 8.503 1.00 0.00 C ATOM 0 H VAL R 58 24.078 12.453 7.730 1.00 0.00 H new ATOM 0 HA VAL R 58 26.376 13.855 7.723 1.00 0.00 H new ATOM 0 HB VAL R 58 25.947 11.135 6.353 1.00 0.00 H new ATOM 0 HG11 VAL R 58 28.297 10.693 7.031 1.00 0.00 H new ATOM 0 HG12 VAL R 58 28.202 12.099 5.945 1.00 0.00 H new ATOM 0 HG13 VAL R 58 28.414 12.340 7.695 1.00 0.00 H new ATOM 0 HG21 VAL R 58 26.421 10.197 8.600 1.00 0.00 H new ATOM 0 HG22 VAL R 58 26.548 11.844 9.262 1.00 0.00 H new ATOM 0 HG23 VAL R 58 24.989 11.253 8.639 1.00 0.00 H new ATOM 911 N GLU R 59 25.799 13.082 4.571 1.00 0.00 N ATOM 912 CA GLU R 59 26.140 13.522 3.195 1.00 0.00 C ATOM 913 C GLU R 59 25.622 14.929 2.928 1.00 0.00 C ATOM 914 O GLU R 59 26.394 15.844 2.740 1.00 0.00 O ATOM 915 CB GLU R 59 25.483 12.566 2.195 1.00 0.00 C ATOM 916 CG GLU R 59 26.191 11.214 2.249 1.00 0.00 C ATOM 917 CD GLU R 59 27.609 11.360 1.692 1.00 0.00 C ATOM 918 OE1 GLU R 59 27.725 12.022 0.674 1.00 0.00 O ATOM 919 OE2 GLU R 59 28.497 10.802 2.317 1.00 0.00 O ATOM 0 H GLU R 59 25.155 12.293 4.636 1.00 0.00 H new ATOM 0 HA GLU R 59 27.225 13.518 3.088 1.00 0.00 H new ATOM 0 HB2 GLU R 59 24.426 12.445 2.431 1.00 0.00 H new ATOM 0 HB3 GLU R 59 25.540 12.979 1.188 1.00 0.00 H new ATOM 0 HG2 GLU R 59 26.228 10.851 3.276 1.00 0.00 H new ATOM 0 HG3 GLU R 59 25.635 10.477 1.670 1.00 0.00 H new ATOM 926 N GLU R 60 24.321 15.056 2.887 1.00 0.00 N ATOM 927 CA GLU R 60 23.701 16.389 2.635 1.00 0.00 C ATOM 928 C GLU R 60 24.540 17.511 3.242 1.00 0.00 C ATOM 929 O GLU R 60 24.729 18.544 2.631 1.00 0.00 O ATOM 930 CB GLU R 60 22.312 16.406 3.283 1.00 0.00 C ATOM 931 CG GLU R 60 21.402 15.419 2.551 1.00 0.00 C ATOM 932 CD GLU R 60 20.479 16.188 1.602 1.00 0.00 C ATOM 933 OE1 GLU R 60 21.009 16.711 0.637 1.00 0.00 O ATOM 934 OE2 GLU R 60 19.296 16.210 1.898 1.00 0.00 O ATOM 0 H GLU R 60 23.660 14.290 3.018 1.00 0.00 H new ATOM 0 HA GLU R 60 23.637 16.550 1.559 1.00 0.00 H new ATOM 0 HB2 GLU R 60 22.386 16.137 4.337 1.00 0.00 H new ATOM 0 HB3 GLU R 60 21.889 17.410 3.239 1.00 0.00 H new ATOM 0 HG2 GLU R 60 22.001 14.701 1.991 1.00 0.00 H new ATOM 0 HG3 GLU R 60 20.811 14.850 3.269 1.00 0.00 H new ATOM 941 N LEU R 61 25.026 17.289 4.434 1.00 0.00 N ATOM 942 CA LEU R 61 25.854 18.335 5.086 1.00 0.00 C ATOM 943 C LEU R 61 27.124 18.562 4.271 1.00 0.00 C ATOM 944 O LEU R 61 27.520 19.683 4.027 1.00 0.00 O ATOM 945 CB LEU R 61 26.250 17.848 6.486 1.00 0.00 C ATOM 946 CG LEU R 61 25.054 17.982 7.433 1.00 0.00 C ATOM 947 CD1 LEU R 61 25.189 16.949 8.554 1.00 0.00 C ATOM 948 CD2 LEU R 61 25.042 19.386 8.043 1.00 0.00 C ATOM 0 H LEU R 61 24.886 16.437 4.977 1.00 0.00 H new ATOM 0 HA LEU R 61 25.287 19.264 5.151 1.00 0.00 H new ATOM 0 HB2 LEU R 61 26.577 16.809 6.442 1.00 0.00 H new ATOM 0 HB3 LEU R 61 27.091 18.431 6.861 1.00 0.00 H new ATOM 0 HG LEU R 61 24.128 17.816 6.882 1.00 0.00 H new ATOM 0 HD11 LEU R 61 24.341 17.037 9.234 1.00 0.00 H new ATOM 0 HD12 LEU R 61 25.208 15.947 8.125 1.00 0.00 H new ATOM 0 HD13 LEU R 61 26.114 17.126 9.103 1.00 0.00 H new ATOM 0 HD21 LEU R 61 24.191 19.482 8.717 1.00 0.00 H new ATOM 0 HD22 LEU R 61 25.965 19.549 8.599 1.00 0.00 H new ATOM 0 HD23 LEU R 61 24.961 20.127 7.248 1.00 0.00 H new ATOM 1426 N PRO R 93 25.501 18.643 20.744 1.00 0.00 N ATOM 1427 CA PRO R 93 25.847 18.093 19.426 1.00 0.00 C ATOM 1428 C PRO R 93 27.330 18.285 19.154 1.00 0.00 C ATOM 1429 O PRO R 93 27.910 17.618 18.322 1.00 0.00 O ATOM 1430 CB PRO R 93 25.022 18.915 18.423 1.00 0.00 C ATOM 1431 CG PRO R 93 24.186 19.942 19.230 1.00 0.00 C ATOM 1432 CD PRO R 93 24.495 19.728 20.720 1.00 0.00 C ATOM 0 HA PRO R 93 25.637 17.026 19.359 1.00 0.00 H new ATOM 0 HB2 PRO R 93 25.677 19.425 17.717 1.00 0.00 H new ATOM 0 HB3 PRO R 93 24.370 18.265 17.840 1.00 0.00 H new ATOM 0 HG2 PRO R 93 24.437 20.959 18.930 1.00 0.00 H new ATOM 0 HG3 PRO R 93 23.122 19.805 19.037 1.00 0.00 H new ATOM 0 HD2 PRO R 93 24.883 20.638 21.178 1.00 0.00 H new ATOM 0 HD3 PRO R 93 23.599 19.449 21.274 1.00 0.00 H new ATOM 1440 N VAL R 94 27.913 19.206 19.867 1.00 0.00 N ATOM 1441 CA VAL R 94 29.360 19.466 19.674 1.00 0.00 C ATOM 1442 C VAL R 94 30.155 18.179 19.881 1.00 0.00 C ATOM 1443 O VAL R 94 31.314 18.099 19.522 1.00 0.00 O ATOM 1444 CB VAL R 94 29.822 20.503 20.713 1.00 0.00 C ATOM 1445 CG1 VAL R 94 30.667 21.570 20.015 1.00 0.00 C ATOM 1446 CG2 VAL R 94 28.601 21.168 21.353 1.00 0.00 C ATOM 0 H VAL R 94 27.452 19.785 20.569 1.00 0.00 H new ATOM 0 HA VAL R 94 29.527 19.836 18.662 1.00 0.00 H new ATOM 0 HB VAL R 94 30.412 20.008 21.484 1.00 0.00 H new ATOM 0 HG11 VAL R 94 30.998 22.308 20.746 1.00 0.00 H new ATOM 0 HG12 VAL R 94 31.536 21.101 19.554 1.00 0.00 H new ATOM 0 HG13 VAL R 94 30.070 22.062 19.247 1.00 0.00 H new ATOM 0 HG21 VAL R 94 28.930 21.902 22.089 1.00 0.00 H new ATOM 0 HG22 VAL R 94 28.012 21.665 20.582 1.00 0.00 H new ATOM 0 HG23 VAL R 94 27.990 20.411 21.844 1.00 0.00 H new ATOM 1456 N GLU R 95 29.515 17.191 20.453 1.00 0.00 N ATOM 1457 CA GLU R 95 30.229 15.906 20.685 1.00 0.00 C ATOM 1458 C GLU R 95 30.463 15.190 19.356 1.00 0.00 C ATOM 1459 O GLU R 95 31.358 14.379 19.229 1.00 0.00 O ATOM 1460 CB GLU R 95 29.373 15.018 21.599 1.00 0.00 C ATOM 1461 CG GLU R 95 29.337 15.636 22.998 1.00 0.00 C ATOM 1462 CD GLU R 95 30.239 14.825 23.932 1.00 0.00 C ATOM 1463 OE1 GLU R 95 29.756 13.811 24.406 1.00 0.00 O ATOM 1464 OE2 GLU R 95 31.362 15.267 24.120 1.00 0.00 O ATOM 0 H GLU R 95 28.544 17.219 20.764 1.00 0.00 H new ATOM 0 HA GLU R 95 31.192 16.106 21.154 1.00 0.00 H new ATOM 0 HB2 GLU R 95 28.363 14.930 21.200 1.00 0.00 H new ATOM 0 HB3 GLU R 95 29.788 14.011 21.642 1.00 0.00 H new ATOM 0 HG2 GLU R 95 29.672 16.672 22.959 1.00 0.00 H new ATOM 0 HG3 GLU R 95 28.315 15.646 23.378 1.00 0.00 H new ATOM 1471 N LEU R 96 29.645 15.511 18.393 1.00 0.00 N ATOM 1472 CA LEU R 96 29.793 14.872 17.059 1.00 0.00 C ATOM 1473 C LEU R 96 30.863 15.593 16.258 1.00 0.00 C ATOM 1474 O LEU R 96 31.711 14.971 15.648 1.00 0.00 O ATOM 1475 CB LEU R 96 28.444 14.966 16.327 1.00 0.00 C ATOM 1476 CG LEU R 96 28.601 14.512 14.870 1.00 0.00 C ATOM 1477 CD1 LEU R 96 29.251 13.126 14.827 1.00 0.00 C ATOM 1478 CD2 LEU R 96 27.215 14.431 14.225 1.00 0.00 C ATOM 0 H LEU R 96 28.884 16.185 18.473 1.00 0.00 H new ATOM 0 HA LEU R 96 30.087 13.829 17.174 1.00 0.00 H new ATOM 0 HB2 LEU R 96 27.704 14.345 16.832 1.00 0.00 H new ATOM 0 HB3 LEU R 96 28.075 15.991 16.359 1.00 0.00 H new ATOM 0 HG LEU R 96 29.228 15.223 14.332 1.00 0.00 H new ATOM 0 HD11 LEU R 96 29.361 12.808 13.790 1.00 0.00 H new ATOM 0 HD12 LEU R 96 30.233 13.170 15.299 1.00 0.00 H new ATOM 0 HD13 LEU R 96 28.623 12.413 15.361 1.00 0.00 H new ATOM 0 HD21 LEU R 96 27.314 14.109 13.188 1.00 0.00 H new ATOM 0 HD22 LEU R 96 26.601 13.714 14.770 1.00 0.00 H new ATOM 0 HD23 LEU R 96 26.741 15.412 14.256 1.00 0.00 H new ATOM 1490 N ARG R 97 30.814 16.893 16.271 1.00 0.00 N ATOM 1491 CA ARG R 97 31.823 17.642 15.518 1.00 0.00 C ATOM 1492 C ARG R 97 33.209 17.116 15.879 1.00 0.00 C ATOM 1493 O ARG R 97 34.164 17.317 15.164 1.00 0.00 O ATOM 1494 CB ARG R 97 31.695 19.111 15.915 1.00 0.00 C ATOM 1495 CG ARG R 97 30.275 19.592 15.597 1.00 0.00 C ATOM 1496 CD ARG R 97 30.249 21.122 15.600 1.00 0.00 C ATOM 1497 NE ARG R 97 28.837 21.589 15.478 1.00 0.00 N ATOM 1498 CZ ARG R 97 28.475 22.261 14.417 1.00 0.00 C ATOM 1499 NH1 ARG R 97 28.729 23.541 14.363 1.00 0.00 N ATOM 1500 NH2 ARG R 97 27.876 21.630 13.445 1.00 0.00 N ATOM 0 H ARG R 97 30.123 17.455 16.768 1.00 0.00 H new ATOM 0 HA ARG R 97 31.679 17.529 14.443 1.00 0.00 H new ATOM 0 HB2 ARG R 97 31.905 19.233 16.978 1.00 0.00 H new ATOM 0 HB3 ARG R 97 32.426 19.712 15.374 1.00 0.00 H new ATOM 0 HG2 ARG R 97 29.959 19.213 14.625 1.00 0.00 H new ATOM 0 HG3 ARG R 97 29.573 19.203 16.334 1.00 0.00 H new ATOM 0 HD2 ARG R 97 30.693 21.503 16.520 1.00 0.00 H new ATOM 0 HD3 ARG R 97 30.845 21.509 14.774 1.00 0.00 H new ATOM 0 HE ARG R 97 28.161 21.386 16.215 1.00 0.00 H new ATOM 0 HH11 ARG R 97 29.203 24.000 15.141 1.00 0.00 H new ATOM 0 HH12 ARG R 97 28.454 24.081 13.543 1.00 0.00 H new ATOM 0 HH21 ARG R 97 27.697 20.629 13.521 1.00 0.00 H new ATOM 0 HH22 ARG R 97 27.586 22.138 12.609 1.00 0.00 H new ATOM 1514 N GLN R 98 33.287 16.434 16.986 1.00 0.00 N ATOM 1515 CA GLN R 98 34.587 15.888 17.407 1.00 0.00 C ATOM 1516 C GLN R 98 35.194 15.092 16.271 1.00 0.00 C ATOM 1517 O GLN R 98 36.318 15.323 15.878 1.00 0.00 O ATOM 1518 CB GLN R 98 34.324 14.956 18.577 1.00 0.00 C ATOM 1519 CG GLN R 98 33.823 15.787 19.748 1.00 0.00 C ATOM 1520 CD GLN R 98 33.729 14.903 20.991 1.00 0.00 C ATOM 1521 OE1 GLN R 98 33.394 13.738 20.913 1.00 0.00 O ATOM 1522 NE2 GLN R 98 34.016 15.415 22.154 1.00 0.00 N ATOM 0 H GLN R 98 32.505 16.236 17.610 1.00 0.00 H new ATOM 0 HA GLN R 98 35.271 16.690 17.685 1.00 0.00 H new ATOM 0 HB2 GLN R 98 33.586 14.202 18.303 1.00 0.00 H new ATOM 0 HB3 GLN R 98 35.235 14.425 18.851 1.00 0.00 H new ATOM 0 HG2 GLN R 98 34.499 16.622 19.932 1.00 0.00 H new ATOM 0 HG3 GLN R 98 32.847 16.212 19.516 1.00 0.00 H new ATOM 0 HE21 GLN R 98 34.298 16.393 22.225 1.00 0.00 H new ATOM 0 HE22 GLN R 98 33.959 14.838 22.993 1.00 0.00 H new ATOM 1531 N TRP R 99 34.431 14.162 15.766 1.00 0.00 N ATOM 1532 CA TRP R 99 34.954 13.338 14.647 1.00 0.00 C ATOM 1533 C TRP R 99 34.517 13.888 13.297 1.00 0.00 C ATOM 1534 O TRP R 99 35.319 14.121 12.422 1.00 0.00 O ATOM 1535 CB TRP R 99 34.404 11.912 14.715 1.00 0.00 C ATOM 1536 CG TRP R 99 35.039 11.171 13.566 1.00 0.00 C ATOM 1537 CD1 TRP R 99 36.369 11.000 13.415 1.00 0.00 C ATOM 1538 CD2 TRP R 99 34.378 10.614 12.569 1.00 0.00 C ATOM 1539 NE1 TRP R 99 36.457 10.303 12.297 1.00 0.00 N ATOM 1540 CE2 TRP R 99 35.276 10.022 11.710 1.00 0.00 C ATOM 1541 CE3 TRP R 99 33.019 10.559 12.282 1.00 0.00 C ATOM 1542 CZ2 TRP R 99 34.839 9.385 10.601 1.00 0.00 C ATOM 1543 CZ3 TRP R 99 32.589 9.913 11.158 1.00 0.00 C ATOM 1544 CH2 TRP R 99 33.506 9.321 10.322 1.00 0.00 C ATOM 0 H TRP R 99 33.484 13.941 16.075 1.00 0.00 H new ATOM 0 HA TRP R 99 36.040 13.355 14.744 1.00 0.00 H new ATOM 0 HB2 TRP R 99 34.651 11.443 15.667 1.00 0.00 H new ATOM 0 HB3 TRP R 99 33.317 11.908 14.630 1.00 0.00 H new ATOM 0 HD1 TRP R 99 37.167 11.349 14.053 1.00 0.00 H new ATOM 0 HE1 TRP R 99 37.350 10.000 11.907 1.00 0.00 H new ATOM 0 HE3 TRP R 99 32.306 11.025 12.945 1.00 0.00 H new ATOM 0 HZ2 TRP R 99 35.550 8.924 9.932 1.00 0.00 H new ATOM 0 HZ3 TRP R 99 31.535 9.868 10.927 1.00 0.00 H new ATOM 0 HH2 TRP R 99 33.168 8.801 9.438 1.00 0.00 H new ATOM 1555 N LEU R 100 33.241 14.037 13.149 1.00 0.00 N ATOM 1556 CA LEU R 100 32.700 14.563 11.871 1.00 0.00 C ATOM 1557 C LEU R 100 33.473 15.788 11.368 1.00 0.00 C ATOM 1558 O LEU R 100 33.790 15.877 10.198 1.00 0.00 O ATOM 1559 CB LEU R 100 31.241 14.943 12.109 1.00 0.00 C ATOM 1560 CG LEU R 100 30.462 14.742 10.810 1.00 0.00 C ATOM 1561 CD1 LEU R 100 29.916 13.315 10.762 1.00 0.00 C ATOM 1562 CD2 LEU R 100 29.297 15.718 10.766 1.00 0.00 C ATOM 0 H LEU R 100 32.543 13.817 13.859 1.00 0.00 H new ATOM 0 HA LEU R 100 32.797 13.793 11.106 1.00 0.00 H new ATOM 0 HB2 LEU R 100 30.816 14.329 12.903 1.00 0.00 H new ATOM 0 HB3 LEU R 100 31.170 15.981 12.435 1.00 0.00 H new ATOM 0 HG LEU R 100 31.122 14.914 9.960 1.00 0.00 H new ATOM 0 HD11 LEU R 100 29.360 13.169 9.836 1.00 0.00 H new ATOM 0 HD12 LEU R 100 30.744 12.607 10.803 1.00 0.00 H new ATOM 0 HD13 LEU R 100 29.255 13.150 11.612 1.00 0.00 H new ATOM 0 HD21 LEU R 100 28.739 15.577 9.840 1.00 0.00 H new ATOM 0 HD22 LEU R 100 28.640 15.538 11.617 1.00 0.00 H new ATOM 0 HD23 LEU R 100 29.676 16.739 10.809 1.00 0.00 H new ATOM 1574 N GLU R 101 33.767 16.711 12.246 1.00 0.00 N ATOM 1575 CA GLU R 101 34.516 17.920 11.805 1.00 0.00 C ATOM 1576 C GLU R 101 35.930 17.571 11.341 1.00 0.00 C ATOM 1577 O GLU R 101 36.665 18.431 10.900 1.00 0.00 O ATOM 1578 CB GLU R 101 34.614 18.883 12.995 1.00 0.00 C ATOM 1579 CG GLU R 101 34.901 20.293 12.488 1.00 0.00 C ATOM 1580 CD GLU R 101 35.963 20.941 13.380 1.00 0.00 C ATOM 1581 OE1 GLU R 101 37.122 20.652 13.137 1.00 0.00 O ATOM 1582 OE2 GLU R 101 35.553 21.685 14.257 1.00 0.00 O ATOM 0 H GLU R 101 33.524 16.680 13.236 1.00 0.00 H new ATOM 0 HA GLU R 101 33.985 18.370 10.966 1.00 0.00 H new ATOM 0 HB2 GLU R 101 33.684 18.872 13.563 1.00 0.00 H new ATOM 0 HB3 GLU R 101 35.405 18.561 13.673 1.00 0.00 H new ATOM 0 HG2 GLU R 101 35.248 20.258 11.455 1.00 0.00 H new ATOM 0 HG3 GLU R 101 33.988 20.889 12.497 1.00 0.00 H new ATOM 1589 N GLU R 102 36.279 16.315 11.447 1.00 0.00 N ATOM 1590 CA GLU R 102 37.642 15.882 11.019 1.00 0.00 C ATOM 1591 C GLU R 102 37.584 15.039 9.747 1.00 0.00 C ATOM 1592 O GLU R 102 38.561 14.943 9.031 1.00 0.00 O ATOM 1593 CB GLU R 102 38.259 15.025 12.137 1.00 0.00 C ATOM 1594 CG GLU R 102 38.453 15.890 13.378 1.00 0.00 C ATOM 1595 CD GLU R 102 39.944 15.979 13.708 1.00 0.00 C ATOM 1596 OE1 GLU R 102 40.481 14.945 14.069 1.00 0.00 O ATOM 1597 OE2 GLU R 102 40.461 17.077 13.583 1.00 0.00 O ATOM 0 H GLU R 102 35.681 15.573 11.810 1.00 0.00 H new ATOM 0 HA GLU R 102 38.239 16.772 10.823 1.00 0.00 H new ATOM 0 HB2 GLU R 102 37.609 14.180 12.365 1.00 0.00 H new ATOM 0 HB3 GLU R 102 39.215 14.614 11.812 1.00 0.00 H new ATOM 0 HG2 GLU R 102 38.047 16.887 13.207 1.00 0.00 H new ATOM 0 HG3 GLU R 102 37.908 15.464 14.220 1.00 0.00 H new ATOM 1604 N VAL R 103 36.443 14.446 9.491 1.00 0.00 N ATOM 1605 CA VAL R 103 36.316 13.605 8.265 1.00 0.00 C ATOM 1606 C VAL R 103 35.511 14.298 7.159 1.00 0.00 C ATOM 1607 O VAL R 103 35.797 14.124 5.990 1.00 0.00 O ATOM 1608 CB VAL R 103 35.620 12.294 8.667 1.00 0.00 C ATOM 1609 CG1 VAL R 103 34.099 12.460 8.611 1.00 0.00 C ATOM 1610 CG2 VAL R 103 36.040 11.185 7.703 1.00 0.00 C ATOM 0 H VAL R 103 35.606 14.508 10.071 1.00 0.00 H new ATOM 0 HA VAL R 103 37.312 13.423 7.861 1.00 0.00 H new ATOM 0 HB VAL R 103 35.912 12.036 9.685 1.00 0.00 H new ATOM 0 HG11 VAL R 103 33.620 11.524 8.898 1.00 0.00 H new ATOM 0 HG12 VAL R 103 33.794 13.249 9.298 1.00 0.00 H new ATOM 0 HG13 VAL R 103 33.799 12.725 7.597 1.00 0.00 H new ATOM 0 HG21 VAL R 103 35.549 10.253 7.984 1.00 0.00 H new ATOM 0 HG22 VAL R 103 35.750 11.456 6.688 1.00 0.00 H new ATOM 0 HG23 VAL R 103 37.121 11.053 7.749 1.00 0.00 H new ATOM 1620 N LEU R 104 34.525 15.068 7.534 1.00 0.00 N ATOM 1621 CA LEU R 104 33.714 15.760 6.493 1.00 0.00 C ATOM 1622 C LEU R 104 34.403 17.044 6.026 1.00 0.00 C ATOM 1623 O LEU R 104 34.478 17.311 4.844 1.00 0.00 O ATOM 1624 CB LEU R 104 32.345 16.116 7.093 1.00 0.00 C ATOM 1625 CG LEU R 104 31.224 15.577 6.194 1.00 0.00 C ATOM 1626 CD1 LEU R 104 31.070 14.071 6.415 1.00 0.00 C ATOM 1627 CD2 LEU R 104 29.909 16.267 6.567 1.00 0.00 C ATOM 0 H LEU R 104 34.250 15.246 8.500 1.00 0.00 H new ATOM 0 HA LEU R 104 33.601 15.097 5.636 1.00 0.00 H new ATOM 0 HB2 LEU R 104 32.256 15.693 8.094 1.00 0.00 H new ATOM 0 HB3 LEU R 104 32.253 17.197 7.195 1.00 0.00 H new ATOM 0 HG LEU R 104 31.470 15.773 5.150 1.00 0.00 H new ATOM 0 HD11 LEU R 104 30.274 13.689 5.776 1.00 0.00 H new ATOM 0 HD12 LEU R 104 32.006 13.569 6.168 1.00 0.00 H new ATOM 0 HD13 LEU R 104 30.821 13.880 7.459 1.00 0.00 H new ATOM 0 HD21 LEU R 104 29.107 15.889 5.932 1.00 0.00 H new ATOM 0 HD22 LEU R 104 29.673 16.061 7.611 1.00 0.00 H new ATOM 0 HD23 LEU R 104 30.009 17.343 6.423 1.00 0.00 H new ATOM 1639 N LEU R 105 34.896 17.812 6.960 1.00 0.00 N ATOM 1640 CA LEU R 105 35.578 19.075 6.573 1.00 0.00 C ATOM 1641 C LEU R 105 36.741 18.782 5.630 1.00 0.00 C ATOM 1642 O LEU R 105 36.687 19.109 4.462 1.00 0.00 O ATOM 1643 CB LEU R 105 36.138 19.742 7.847 1.00 0.00 C ATOM 1644 CG LEU R 105 35.264 20.929 8.300 1.00 0.00 C ATOM 1645 CD1 LEU R 105 35.557 22.155 7.424 1.00 0.00 C ATOM 1646 CD2 LEU R 105 33.773 20.574 8.213 1.00 0.00 C ATOM 0 H LEU R 105 34.856 17.621 7.961 1.00 0.00 H new ATOM 0 HA LEU R 105 34.864 19.728 6.072 1.00 0.00 H new ATOM 0 HB2 LEU R 105 36.195 19.005 8.648 1.00 0.00 H new ATOM 0 HB3 LEU R 105 37.154 20.089 7.660 1.00 0.00 H new ATOM 0 HG LEU R 105 35.505 21.157 9.338 1.00 0.00 H new ATOM 0 HD11 LEU R 105 34.937 22.991 7.748 1.00 0.00 H new ATOM 0 HD12 LEU R 105 36.609 22.426 7.517 1.00 0.00 H new ATOM 0 HD13 LEU R 105 35.334 21.920 6.383 1.00 0.00 H new ATOM 0 HD21 LEU R 105 33.176 21.427 8.538 1.00 0.00 H new ATOM 0 HD22 LEU R 105 33.518 20.324 7.183 1.00 0.00 H new ATOM 0 HD23 LEU R 105 33.564 19.719 8.856 1.00 0.00 H new ATOM 1871 N HIS S 16 23.192 1.320 -4.947 1.00 0.00 N ATOM 1872 CA HIS S 16 24.197 0.474 -4.250 1.00 0.00 C ATOM 1873 C HIS S 16 25.536 1.205 -4.101 1.00 0.00 C ATOM 1874 O HIS S 16 26.504 0.640 -3.627 1.00 0.00 O ATOM 1875 CB HIS S 16 24.391 -0.802 -5.085 1.00 0.00 C ATOM 1876 CG HIS S 16 25.831 -0.894 -5.601 1.00 0.00 C ATOM 1877 ND1 HIS S 16 26.271 -0.329 -6.650 1.00 0.00 N ATOM 1878 CD2 HIS S 16 26.911 -1.597 -5.097 1.00 0.00 C ATOM 1879 CE1 HIS S 16 27.504 -0.619 -6.835 1.00 0.00 C ATOM 1880 NE2 HIS S 16 27.978 -1.416 -5.892 1.00 0.00 N ATOM 0 HA HIS S 16 23.842 0.237 -3.247 1.00 0.00 H new ATOM 0 HB2 HIS S 16 24.159 -1.678 -4.480 1.00 0.00 H new ATOM 0 HB3 HIS S 16 23.697 -0.802 -5.925 1.00 0.00 H new ATOM 0 HD2 HIS S 16 26.898 -2.199 -4.201 1.00 0.00 H new ATOM 0 HE1 HIS S 16 28.090 -0.255 -7.666 1.00 0.00 H new ATOM 0 HE2 HIS S 16 28.919 -1.798 -5.793 1.00 0.00 H new ATOM 1888 N GLN S 17 25.561 2.453 -4.490 1.00 0.00 N ATOM 1889 CA GLN S 17 26.818 3.232 -4.384 1.00 0.00 C ATOM 1890 C GLN S 17 26.970 3.889 -3.006 1.00 0.00 C ATOM 1891 O GLN S 17 28.026 3.833 -2.408 1.00 0.00 O ATOM 1892 CB GLN S 17 26.770 4.329 -5.456 1.00 0.00 C ATOM 1893 CG GLN S 17 27.953 5.272 -5.260 1.00 0.00 C ATOM 1894 CD GLN S 17 28.141 6.112 -6.526 1.00 0.00 C ATOM 1895 OE1 GLN S 17 27.490 5.896 -7.528 1.00 0.00 O ATOM 1896 NE2 GLN S 17 29.018 7.080 -6.524 1.00 0.00 N ATOM 0 H GLN S 17 24.764 2.961 -4.875 1.00 0.00 H new ATOM 0 HA GLN S 17 27.666 2.561 -4.523 1.00 0.00 H new ATOM 0 HB2 GLN S 17 26.805 3.884 -6.451 1.00 0.00 H new ATOM 0 HB3 GLN S 17 25.833 4.882 -5.386 1.00 0.00 H new ATOM 0 HG2 GLN S 17 27.778 5.920 -4.401 1.00 0.00 H new ATOM 0 HG3 GLN S 17 28.858 4.701 -5.050 1.00 0.00 H new ATOM 0 HE21 GLN S 17 29.569 7.268 -5.686 1.00 0.00 H new ATOM 0 HE22 GLN S 17 29.152 7.648 -7.360 1.00 0.00 H new ATOM 1905 N GLU S 18 25.918 4.499 -2.526 1.00 0.00 N ATOM 1906 CA GLU S 18 26.002 5.161 -1.192 1.00 0.00 C ATOM 1907 C GLU S 18 26.197 4.150 -0.062 1.00 0.00 C ATOM 1908 O GLU S 18 26.895 4.418 0.895 1.00 0.00 O ATOM 1909 CB GLU S 18 24.694 5.925 -0.951 1.00 0.00 C ATOM 1910 CG GLU S 18 23.559 4.928 -0.708 1.00 0.00 C ATOM 1911 CD GLU S 18 22.230 5.579 -1.094 1.00 0.00 C ATOM 1912 OE1 GLU S 18 22.164 6.791 -0.964 1.00 0.00 O ATOM 1913 OE2 GLU S 18 21.356 4.830 -1.497 1.00 0.00 O ATOM 0 H GLU S 18 25.014 4.567 -2.994 1.00 0.00 H new ATOM 0 HA GLU S 18 26.863 5.830 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU S 18 24.800 6.588 -0.092 1.00 0.00 H new ATOM 0 HB3 GLU S 18 24.463 6.553 -1.812 1.00 0.00 H new ATOM 0 HG2 GLU S 18 23.720 4.024 -1.296 1.00 0.00 H new ATOM 0 HG3 GLU S 18 23.540 4.627 0.340 1.00 0.00 H new ATOM 1920 N TRP S 19 25.573 3.013 -0.183 1.00 0.00 N ATOM 1921 CA TRP S 19 25.719 1.986 0.879 1.00 0.00 C ATOM 1922 C TRP S 19 27.192 1.598 1.053 1.00 0.00 C ATOM 1923 O TRP S 19 27.532 0.813 1.915 1.00 0.00 O ATOM 1924 CB TRP S 19 24.875 0.770 0.476 1.00 0.00 C ATOM 1925 CG TRP S 19 25.345 -0.465 1.232 1.00 0.00 C ATOM 1926 CD1 TRP S 19 25.880 -1.544 0.638 1.00 0.00 C ATOM 1927 CD2 TRP S 19 25.344 -0.619 2.566 1.00 0.00 C ATOM 1928 NE1 TRP S 19 26.205 -2.335 1.651 1.00 0.00 N ATOM 1929 CE2 TRP S 19 25.914 -1.845 2.876 1.00 0.00 C ATOM 1930 CE3 TRP S 19 24.922 0.206 3.610 1.00 0.00 C ATOM 1931 CZ2 TRP S 19 26.072 -2.238 4.179 1.00 0.00 C ATOM 1932 CZ3 TRP S 19 25.095 -0.200 4.917 1.00 0.00 C ATOM 1933 CH2 TRP S 19 25.664 -1.417 5.201 1.00 0.00 C ATOM 0 H TRP S 19 24.973 2.753 -0.966 1.00 0.00 H new ATOM 0 HA TRP S 19 25.373 2.378 1.836 1.00 0.00 H new ATOM 0 HB2 TRP S 19 23.823 0.960 0.691 1.00 0.00 H new ATOM 0 HB3 TRP S 19 24.955 0.601 -0.598 1.00 0.00 H new ATOM 0 HD1 TRP S 19 26.014 -1.725 -0.418 1.00 0.00 H new ATOM 0 HE1 TRP S 19 26.643 -3.246 1.516 1.00 0.00 H new ATOM 0 HE3 TRP S 19 24.462 1.159 3.395 1.00 0.00 H new ATOM 0 HZ2 TRP S 19 26.518 -3.196 4.403 1.00 0.00 H new ATOM 0 HZ3 TRP S 19 24.780 0.445 5.724 1.00 0.00 H new ATOM 0 HH2 TRP S 19 25.790 -1.728 6.227 1.00 0.00 H new ATOM 1944 N LEU S 20 28.028 2.167 0.217 1.00 0.00 N ATOM 1945 CA LEU S 20 29.485 1.871 0.291 1.00 0.00 C ATOM 1946 C LEU S 20 30.258 3.127 0.701 1.00 0.00 C ATOM 1947 O LEU S 20 31.179 3.070 1.492 1.00 0.00 O ATOM 1948 CB LEU S 20 29.969 1.439 -1.102 1.00 0.00 C ATOM 1949 CG LEU S 20 29.662 -0.047 -1.322 1.00 0.00 C ATOM 1950 CD1 LEU S 20 30.041 -0.425 -2.754 1.00 0.00 C ATOM 1951 CD2 LEU S 20 30.481 -0.900 -0.347 1.00 0.00 C ATOM 0 H LEU S 20 27.758 2.825 -0.514 1.00 0.00 H new ATOM 0 HA LEU S 20 29.654 1.083 1.025 1.00 0.00 H new ATOM 0 HB2 LEU S 20 29.479 2.038 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU S 20 31.040 1.616 -1.196 1.00 0.00 H new ATOM 0 HG LEU S 20 28.600 -0.226 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU S 20 29.826 -1.481 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU S 20 29.463 0.178 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU S 20 31.104 -0.242 -2.909 1.00 0.00 H new ATOM 0 HD21 LEU S 20 30.257 -1.954 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU S 20 31.544 -0.725 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU S 20 30.225 -0.629 0.677 1.00 0.00 H new ATOM 1963 N ARG S 21 29.850 4.240 0.151 1.00 0.00 N ATOM 1964 CA ARG S 21 30.528 5.527 0.472 1.00 0.00 C ATOM 1965 C ARG S 21 30.410 5.891 1.952 1.00 0.00 C ATOM 1966 O ARG S 21 31.373 6.297 2.567 1.00 0.00 O ATOM 1967 CB ARG S 21 29.841 6.632 -0.345 1.00 0.00 C ATOM 1968 CG ARG S 21 30.900 7.490 -1.045 1.00 0.00 C ATOM 1969 CD ARG S 21 30.204 8.631 -1.795 1.00 0.00 C ATOM 1970 NE ARG S 21 30.401 8.439 -3.258 1.00 0.00 N ATOM 1971 CZ ARG S 21 31.416 9.009 -3.845 1.00 0.00 C ATOM 1972 NH1 ARG S 21 32.584 8.971 -3.263 1.00 0.00 N ATOM 1973 NH2 ARG S 21 31.230 9.601 -4.993 1.00 0.00 N ATOM 0 H ARG S 21 29.075 4.312 -0.508 1.00 0.00 H new ATOM 0 HA ARG S 21 31.587 5.426 0.233 1.00 0.00 H new ATOM 0 HB2 ARG S 21 29.172 6.190 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG S 21 29.229 7.254 0.308 1.00 0.00 H new ATOM 0 HG2 ARG S 21 31.601 7.893 -0.314 1.00 0.00 H new ATOM 0 HG3 ARG S 21 31.479 6.881 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG S 21 29.140 8.645 -1.557 1.00 0.00 H new ATOM 0 HD3 ARG S 21 30.613 9.592 -1.483 1.00 0.00 H new ATOM 0 HE ARG S 21 29.749 7.868 -3.795 1.00 0.00 H new ATOM 0 HH11 ARG S 21 32.691 8.501 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG S 21 33.390 9.411 -3.707 1.00 0.00 H new ATOM 0 HH21 ARG S 21 30.302 9.613 -5.416 1.00 0.00 H new ATOM 0 HH22 ARG S 21 32.012 10.052 -5.467 1.00 0.00 H new ATOM 1987 N PHE S 22 29.233 5.743 2.495 1.00 0.00 N ATOM 1988 CA PHE S 22 29.044 6.081 3.933 1.00 0.00 C ATOM 1989 C PHE S 22 29.690 5.060 4.866 1.00 0.00 C ATOM 1990 O PHE S 22 30.572 5.394 5.631 1.00 0.00 O ATOM 1991 CB PHE S 22 27.540 6.113 4.223 1.00 0.00 C ATOM 1992 CG PHE S 22 27.320 5.999 5.732 1.00 0.00 C ATOM 1993 CD1 PHE S 22 27.643 7.051 6.568 1.00 0.00 C ATOM 1994 CD2 PHE S 22 26.814 4.833 6.283 1.00 0.00 C ATOM 1995 CE1 PHE S 22 27.467 6.942 7.931 1.00 0.00 C ATOM 1996 CE2 PHE S 22 26.639 4.725 7.647 1.00 0.00 C ATOM 1997 CZ PHE S 22 26.965 5.779 8.472 1.00 0.00 C ATOM 0 H PHE S 22 28.401 5.406 2.010 1.00 0.00 H new ATOM 0 HA PHE S 22 29.519 7.045 4.115 1.00 0.00 H new ATOM 0 HB2 PHE S 22 27.104 7.039 3.848 1.00 0.00 H new ATOM 0 HB3 PHE S 22 27.040 5.294 3.707 1.00 0.00 H new ATOM 0 HD1 PHE S 22 28.036 7.966 6.150 1.00 0.00 H new ATOM 0 HD2 PHE S 22 26.555 4.004 5.641 1.00 0.00 H new ATOM 0 HE1 PHE S 22 27.723 7.770 8.576 1.00 0.00 H new ATOM 0 HE2 PHE S 22 26.246 3.812 8.069 1.00 0.00 H new ATOM 0 HZ PHE S 22 26.827 5.694 9.540 1.00 0.00 H new ATOM 2007 N VAL S 23 29.237 3.839 4.795 1.00 0.00 N ATOM 2008 CA VAL S 23 29.819 2.791 5.678 1.00 0.00 C ATOM 2009 C VAL S 23 31.339 2.900 5.762 1.00 0.00 C ATOM 2010 O VAL S 23 31.906 2.777 6.828 1.00 0.00 O ATOM 2011 CB VAL S 23 29.443 1.413 5.123 1.00 0.00 C ATOM 2012 CG1 VAL S 23 27.919 1.293 5.093 1.00 0.00 C ATOM 2013 CG2 VAL S 23 29.980 1.259 3.701 1.00 0.00 C ATOM 0 H VAL S 23 28.496 3.524 4.169 1.00 0.00 H new ATOM 0 HA VAL S 23 29.418 2.929 6.682 1.00 0.00 H new ATOM 0 HB VAL S 23 29.874 0.638 5.757 1.00 0.00 H new ATOM 0 HG11 VAL S 23 27.639 0.316 4.700 1.00 0.00 H new ATOM 0 HG12 VAL S 23 27.525 1.404 6.103 1.00 0.00 H new ATOM 0 HG13 VAL S 23 27.505 2.074 4.455 1.00 0.00 H new ATOM 0 HG21 VAL S 23 29.708 0.277 3.314 1.00 0.00 H new ATOM 0 HG22 VAL S 23 29.550 2.032 3.064 1.00 0.00 H new ATOM 0 HG23 VAL S 23 31.065 1.358 3.709 1.00 0.00 H new ATOM 2023 N ASP S 24 31.975 3.130 4.647 1.00 0.00 N ATOM 2024 CA ASP S 24 33.458 3.244 4.675 1.00 0.00 C ATOM 2025 C ASP S 24 33.902 4.247 5.735 1.00 0.00 C ATOM 2026 O ASP S 24 34.905 4.057 6.393 1.00 0.00 O ATOM 2027 CB ASP S 24 33.934 3.727 3.302 1.00 0.00 C ATOM 2028 CG ASP S 24 34.058 2.525 2.365 1.00 0.00 C ATOM 2029 OD1 ASP S 24 33.066 1.824 2.250 1.00 0.00 O ATOM 2030 OD2 ASP S 24 35.138 2.372 1.818 1.00 0.00 O ATOM 0 H ASP S 24 31.540 3.242 3.731 1.00 0.00 H new ATOM 0 HA ASP S 24 33.887 2.271 4.914 1.00 0.00 H new ATOM 0 HB2 ASP S 24 33.230 4.452 2.893 1.00 0.00 H new ATOM 0 HB3 ASP S 24 34.895 4.233 3.394 1.00 0.00 H new ATOM 2035 N LEU S 25 33.144 5.298 5.878 1.00 0.00 N ATOM 2036 CA LEU S 25 33.504 6.323 6.890 1.00 0.00 C ATOM 2037 C LEU S 25 33.062 5.887 8.289 1.00 0.00 C ATOM 2038 O LEU S 25 33.612 6.322 9.281 1.00 0.00 O ATOM 2039 CB LEU S 25 32.794 7.631 6.525 1.00 0.00 C ATOM 2040 CG LEU S 25 32.986 7.905 5.031 1.00 0.00 C ATOM 2041 CD1 LEU S 25 32.422 9.285 4.695 1.00 0.00 C ATOM 2042 CD2 LEU S 25 34.480 7.878 4.702 1.00 0.00 C ATOM 0 H LEU S 25 32.298 5.489 5.341 1.00 0.00 H new ATOM 0 HA LEU S 25 34.586 6.455 6.896 1.00 0.00 H new ATOM 0 HB2 LEU S 25 31.732 7.561 6.761 1.00 0.00 H new ATOM 0 HB3 LEU S 25 33.198 8.455 7.113 1.00 0.00 H new ATOM 0 HG LEU S 25 32.467 7.144 4.448 1.00 0.00 H new ATOM 0 HD11 LEU S 25 32.557 9.484 3.632 1.00 0.00 H new ATOM 0 HD12 LEU S 25 31.360 9.313 4.938 1.00 0.00 H new ATOM 0 HD13 LEU S 25 32.947 10.044 5.276 1.00 0.00 H new ATOM 0 HD21 LEU S 25 34.622 8.073 3.639 1.00 0.00 H new ATOM 0 HD22 LEU S 25 34.994 8.644 5.283 1.00 0.00 H new ATOM 0 HD23 LEU S 25 34.889 6.899 4.949 1.00 0.00 H new ATOM 2054 N LEU S 26 32.070 5.038 8.344 1.00 0.00 N ATOM 2055 CA LEU S 26 31.595 4.573 9.674 1.00 0.00 C ATOM 2056 C LEU S 26 32.729 3.859 10.405 1.00 0.00 C ATOM 2057 O LEU S 26 32.816 3.891 11.618 1.00 0.00 O ATOM 2058 CB LEU S 26 30.425 3.597 9.466 1.00 0.00 C ATOM 2059 CG LEU S 26 29.888 3.133 10.829 1.00 0.00 C ATOM 2060 CD1 LEU S 26 29.373 4.342 11.615 1.00 0.00 C ATOM 2061 CD2 LEU S 26 28.737 2.150 10.609 1.00 0.00 C ATOM 0 H LEU S 26 31.577 4.653 7.538 1.00 0.00 H new ATOM 0 HA LEU S 26 31.269 5.426 10.269 1.00 0.00 H new ATOM 0 HB2 LEU S 26 29.631 4.082 8.898 1.00 0.00 H new ATOM 0 HB3 LEU S 26 30.755 2.737 8.883 1.00 0.00 H new ATOM 0 HG LEU S 26 30.688 2.648 11.389 1.00 0.00 H new ATOM 0 HD11 LEU S 26 28.992 4.012 12.582 1.00 0.00 H new ATOM 0 HD12 LEU S 26 30.187 5.050 11.768 1.00 0.00 H new ATOM 0 HD13 LEU S 26 28.572 4.826 11.055 1.00 0.00 H new ATOM 0 HD21 LEU S 26 28.353 1.818 11.573 1.00 0.00 H new ATOM 0 HD22 LEU S 26 27.940 2.642 10.051 1.00 0.00 H new ATOM 0 HD23 LEU S 26 29.097 1.289 10.046 1.00 0.00 H new ATOM 2073 N LYS S 27 33.581 3.231 9.643 1.00 0.00 N ATOM 2074 CA LYS S 27 34.718 2.506 10.262 1.00 0.00 C ATOM 2075 C LYS S 27 35.741 3.511 10.779 1.00 0.00 C ATOM 2076 O LYS S 27 36.264 3.375 11.866 1.00 0.00 O ATOM 2077 CB LYS S 27 35.397 1.632 9.192 1.00 0.00 C ATOM 2078 CG LYS S 27 34.352 1.119 8.196 1.00 0.00 C ATOM 2079 CD LYS S 27 35.014 0.137 7.224 1.00 0.00 C ATOM 2080 CE LYS S 27 36.120 0.856 6.443 1.00 0.00 C ATOM 2081 NZ LYS S 27 37.432 0.711 7.135 1.00 0.00 N ATOM 0 H LYS S 27 33.537 3.190 8.625 1.00 0.00 H new ATOM 0 HA LYS S 27 34.351 1.890 11.083 1.00 0.00 H new ATOM 0 HB2 LYS S 27 36.158 2.210 8.668 1.00 0.00 H new ATOM 0 HB3 LYS S 27 35.904 0.791 9.665 1.00 0.00 H new ATOM 0 HG2 LYS S 27 33.537 0.628 8.728 1.00 0.00 H new ATOM 0 HG3 LYS S 27 33.917 1.954 7.647 1.00 0.00 H new ATOM 0 HD2 LYS S 27 35.432 -0.708 7.772 1.00 0.00 H new ATOM 0 HD3 LYS S 27 34.271 -0.266 6.535 1.00 0.00 H new ATOM 0 HE2 LYS S 27 36.187 0.445 5.436 1.00 0.00 H new ATOM 0 HE3 LYS S 27 35.872 1.912 6.340 1.00 0.00 H new ATOM 0 HZ1 LYS S 27 37.800 1.652 7.382 1.00 0.00 H new ATOM 0 HZ2 LYS S 27 37.307 0.150 8.002 1.00 0.00 H new ATOM 0 HZ3 LYS S 27 38.105 0.230 6.505 1.00 0.00 H new ATOM 2095 N ASN S 28 35.997 4.508 9.981 1.00 0.00 N ATOM 2096 CA ASN S 28 36.979 5.543 10.391 1.00 0.00 C ATOM 2097 C ASN S 28 36.669 6.074 11.793 1.00 0.00 C ATOM 2098 O ASN S 28 37.538 6.140 12.639 1.00 0.00 O ATOM 2099 CB ASN S 28 36.899 6.699 9.387 1.00 0.00 C ATOM 2100 CG ASN S 28 37.680 6.326 8.128 1.00 0.00 C ATOM 2101 OD1 ASN S 28 38.746 6.842 7.868 1.00 0.00 O ATOM 2102 ND2 ASN S 28 37.180 5.433 7.318 1.00 0.00 N ATOM 0 H ASN S 28 35.569 4.649 9.066 1.00 0.00 H new ATOM 0 HA ASN S 28 37.976 5.104 10.408 1.00 0.00 H new ATOM 0 HB2 ASN S 28 35.859 6.907 9.136 1.00 0.00 H new ATOM 0 HB3 ASN S 28 37.309 7.608 9.827 1.00 0.00 H new ATOM 0 HD21 ASN S 28 37.686 5.172 6.471 1.00 0.00 H new ATOM 0 HD22 ASN S 28 36.284 4.996 7.532 1.00 0.00 H new ATOM 2109 N ALA S 29 35.437 6.436 12.012 1.00 0.00 N ATOM 2110 CA ALA S 29 35.058 6.964 13.351 1.00 0.00 C ATOM 2111 C ALA S 29 35.219 5.896 14.428 1.00 0.00 C ATOM 2112 O ALA S 29 35.758 6.156 15.484 1.00 0.00 O ATOM 2113 CB ALA S 29 33.585 7.383 13.295 1.00 0.00 C ATOM 0 H ALA S 29 34.681 6.390 11.328 1.00 0.00 H new ATOM 0 HA ALA S 29 35.705 7.805 13.599 1.00 0.00 H new ATOM 0 HB1 ALA S 29 33.281 7.774 14.266 1.00 0.00 H new ATOM 0 HB2 ALA S 29 33.455 8.154 12.536 1.00 0.00 H new ATOM 0 HB3 ALA S 29 32.970 6.519 13.044 1.00 0.00 H new ATOM 2119 N TYR S 30 34.747 4.714 14.140 1.00 0.00 N ATOM 2120 CA TYR S 30 34.865 3.621 15.140 1.00 0.00 C ATOM 2121 C TYR S 30 36.250 3.565 15.770 1.00 0.00 C ATOM 2122 O TYR S 30 36.449 4.119 16.825 1.00 0.00 O ATOM 2123 CB TYR S 30 34.601 2.275 14.448 1.00 0.00 C ATOM 2124 CG TYR S 30 33.195 1.785 14.800 1.00 0.00 C ATOM 2125 CD1 TYR S 30 32.848 1.540 16.115 1.00 0.00 C ATOM 2126 CD2 TYR S 30 32.257 1.571 13.810 1.00 0.00 C ATOM 2127 CE1 TYR S 30 31.585 1.087 16.433 1.00 0.00 C ATOM 2128 CE2 TYR S 30 30.994 1.117 14.129 1.00 0.00 C ATOM 2129 CZ TYR S 30 30.649 0.873 15.442 1.00 0.00 C ATOM 2130 OH TYR S 30 29.385 0.416 15.763 1.00 0.00 O ATOM 0 H TYR S 30 34.290 4.461 13.264 1.00 0.00 H new ATOM 0 HA TYR S 30 34.136 3.818 15.926 1.00 0.00 H new ATOM 0 HB2 TYR S 30 34.699 2.384 13.368 1.00 0.00 H new ATOM 0 HB3 TYR S 30 35.343 1.541 14.763 1.00 0.00 H new ATOM 0 HD1 TYR S 30 33.572 1.705 16.900 1.00 0.00 H new ATOM 0 HD2 TYR S 30 32.514 1.760 12.778 1.00 0.00 H new ATOM 0 HE1 TYR S 30 31.327 0.898 17.465 1.00 0.00 H new ATOM 0 HE2 TYR S 30 30.270 0.951 13.345 1.00 0.00 H new ATOM 0 HH TYR S 30 28.854 0.321 14.945 1.00 0.00 H new ATOM 2140 N GLN S 31 37.177 2.984 15.033 1.00 0.00 N ATOM 2141 CA GLN S 31 38.600 2.825 15.490 1.00 0.00 C ATOM 2142 C GLN S 31 38.921 3.590 16.765 1.00 0.00 C ATOM 2143 O GLN S 31 39.145 3.006 17.806 1.00 0.00 O ATOM 2144 CB GLN S 31 39.521 3.335 14.377 1.00 0.00 C ATOM 2145 CG GLN S 31 40.973 3.179 14.831 1.00 0.00 C ATOM 2146 CD GLN S 31 41.874 3.006 13.609 1.00 0.00 C ATOM 2147 OE1 GLN S 31 42.321 1.919 13.303 1.00 0.00 O ATOM 2148 NE2 GLN S 31 42.170 4.050 12.883 1.00 0.00 N ATOM 0 H GLN S 31 36.997 2.602 14.104 1.00 0.00 H new ATOM 0 HA GLN S 31 38.751 1.767 15.706 1.00 0.00 H new ATOM 0 HB2 GLN S 31 39.350 2.774 13.458 1.00 0.00 H new ATOM 0 HB3 GLN S 31 39.304 4.380 14.157 1.00 0.00 H new ATOM 0 HG2 GLN S 31 41.282 4.054 15.403 1.00 0.00 H new ATOM 0 HG3 GLN S 31 41.068 2.317 15.491 1.00 0.00 H new ATOM 0 HE21 GLN S 31 41.799 4.967 13.133 1.00 0.00 H new ATOM 0 HE22 GLN S 31 42.772 3.949 12.066 1.00 0.00 H new ATOM 2157 N ASN S 32 38.936 4.872 16.656 1.00 0.00 N ATOM 2158 CA ASN S 32 39.238 5.711 17.836 1.00 0.00 C ATOM 2159 C ASN S 32 37.978 5.930 18.654 1.00 0.00 C ATOM 2160 O ASN S 32 37.785 6.984 19.223 1.00 0.00 O ATOM 2161 CB ASN S 32 39.731 7.060 17.347 1.00 0.00 C ATOM 2162 CG ASN S 32 41.200 6.954 16.933 1.00 0.00 C ATOM 2163 OD1 ASN S 32 41.737 5.878 16.772 1.00 0.00 O ATOM 2164 ND2 ASN S 32 41.884 8.050 16.753 1.00 0.00 N ATOM 0 H ASN S 32 38.751 5.385 15.794 1.00 0.00 H new ATOM 0 HA ASN S 32 39.990 5.217 18.452 1.00 0.00 H new ATOM 0 HB2 ASN S 32 39.128 7.394 16.502 1.00 0.00 H new ATOM 0 HB3 ASN S 32 39.618 7.806 18.134 1.00 0.00 H new ATOM 0 HD21 ASN S 32 42.865 8.000 16.478 1.00 0.00 H new ATOM 0 HD22 ASN S 32 41.438 8.957 16.887 1.00 0.00 H new ATOM 2171 N ASP S 33 37.183 4.903 18.750 1.00 0.00 N ATOM 2172 CA ASP S 33 35.915 5.003 19.515 1.00 0.00 C ATOM 2173 C ASP S 33 35.320 6.399 19.421 1.00 0.00 C ATOM 2174 O ASP S 33 34.626 6.855 20.308 1.00 0.00 O ATOM 2175 CB ASP S 33 36.262 4.738 20.964 1.00 0.00 C ATOM 2176 CG ASP S 33 35.170 3.882 21.606 1.00 0.00 C ATOM 2177 OD1 ASP S 33 34.067 4.397 21.701 1.00 0.00 O ATOM 2178 OD2 ASP S 33 35.499 2.765 21.966 1.00 0.00 O ATOM 0 H ASP S 33 37.361 3.992 18.327 1.00 0.00 H new ATOM 0 HA ASP S 33 35.189 4.294 19.116 1.00 0.00 H new ATOM 0 HB2 ASP S 33 37.223 4.229 21.031 1.00 0.00 H new ATOM 0 HB3 ASP S 33 36.363 5.680 21.502 1.00 0.00 H new ATOM 2183 N LEU S 34 35.608 7.044 18.329 1.00 0.00 N ATOM 2184 CA LEU S 34 35.084 8.415 18.125 1.00 0.00 C ATOM 2185 C LEU S 34 33.719 8.337 17.451 1.00 0.00 C ATOM 2186 O LEU S 34 33.213 9.314 16.933 1.00 0.00 O ATOM 2187 CB LEU S 34 36.079 9.152 17.210 1.00 0.00 C ATOM 2188 CG LEU S 34 36.605 10.416 17.905 1.00 0.00 C ATOM 2189 CD1 LEU S 34 37.580 10.031 19.026 1.00 0.00 C ATOM 2190 CD2 LEU S 34 37.356 11.263 16.876 1.00 0.00 C ATOM 0 H LEU S 34 36.184 6.680 17.570 1.00 0.00 H new ATOM 0 HA LEU S 34 34.974 8.940 19.074 1.00 0.00 H new ATOM 0 HB2 LEU S 34 36.911 8.493 16.960 1.00 0.00 H new ATOM 0 HB3 LEU S 34 35.592 9.420 16.272 1.00 0.00 H new ATOM 0 HG LEU S 34 35.768 10.972 18.327 1.00 0.00 H new ATOM 0 HD11 LEU S 34 37.948 10.934 19.514 1.00 0.00 H new ATOM 0 HD12 LEU S 34 37.066 9.407 19.757 1.00 0.00 H new ATOM 0 HD13 LEU S 34 38.419 9.478 18.604 1.00 0.00 H new ATOM 0 HD21 LEU S 34 37.736 12.165 17.355 1.00 0.00 H new ATOM 0 HD22 LEU S 34 38.189 10.689 16.471 1.00 0.00 H new ATOM 0 HD23 LEU S 34 36.679 11.539 16.068 1.00 0.00 H new ATOM 2202 N HIS S 35 33.152 7.158 17.484 1.00 0.00 N ATOM 2203 CA HIS S 35 31.813 6.958 16.856 1.00 0.00 C ATOM 2204 C HIS S 35 30.671 6.987 17.868 1.00 0.00 C ATOM 2205 O HIS S 35 29.518 6.960 17.491 1.00 0.00 O ATOM 2206 CB HIS S 35 31.808 5.571 16.220 1.00 0.00 C ATOM 2207 CG HIS S 35 31.890 4.524 17.336 1.00 0.00 C ATOM 2208 ND1 HIS S 35 32.923 4.270 18.035 1.00 0.00 N ATOM 2209 CD2 HIS S 35 30.912 3.689 17.836 1.00 0.00 C ATOM 2210 CE1 HIS S 35 32.662 3.364 18.908 1.00 0.00 C ATOM 2211 NE2 HIS S 35 31.410 2.951 18.840 1.00 0.00 N ATOM 0 H HIS S 35 33.557 6.328 17.917 1.00 0.00 H new ATOM 0 HA HIS S 35 31.657 7.767 16.142 1.00 0.00 H new ATOM 0 HB2 HIS S 35 30.902 5.427 15.632 1.00 0.00 H new ATOM 0 HB3 HIS S 35 32.651 5.464 15.538 1.00 0.00 H new ATOM 0 HD2 HIS S 35 29.896 3.637 17.473 1.00 0.00 H new ATOM 0 HE1 HIS S 35 33.384 2.984 19.616 1.00 0.00 H new ATOM 0 HE2 HIS S 35 30.939 2.247 19.408 1.00 0.00 H new ATOM 2219 N LEU S 36 30.993 7.038 19.126 1.00 0.00 N ATOM 2220 CA LEU S 36 29.905 7.063 20.134 1.00 0.00 C ATOM 2221 C LEU S 36 28.888 8.192 19.890 1.00 0.00 C ATOM 2222 O LEU S 36 27.697 7.955 19.930 1.00 0.00 O ATOM 2223 CB LEU S 36 30.521 7.196 21.531 1.00 0.00 C ATOM 2224 CG LEU S 36 30.303 5.880 22.285 1.00 0.00 C ATOM 2225 CD1 LEU S 36 31.036 5.937 23.623 1.00 0.00 C ATOM 2226 CD2 LEU S 36 28.806 5.675 22.541 1.00 0.00 C ATOM 0 H LEU S 36 31.944 7.063 19.495 1.00 0.00 H new ATOM 0 HA LEU S 36 29.352 6.127 20.048 1.00 0.00 H new ATOM 0 HB2 LEU S 36 31.586 7.418 21.456 1.00 0.00 H new ATOM 0 HB3 LEU S 36 30.060 8.023 22.071 1.00 0.00 H new ATOM 0 HG LEU S 36 30.687 5.053 21.687 1.00 0.00 H new ATOM 0 HD11 LEU S 36 30.883 5.002 24.162 1.00 0.00 H new ATOM 0 HD12 LEU S 36 32.102 6.085 23.448 1.00 0.00 H new ATOM 0 HD13 LEU S 36 30.648 6.765 24.216 1.00 0.00 H new ATOM 0 HD21 LEU S 36 28.654 4.738 23.077 1.00 0.00 H new ATOM 0 HD22 LEU S 36 28.422 6.502 23.139 1.00 0.00 H new ATOM 0 HD23 LEU S 36 28.276 5.639 21.589 1.00 0.00 H new ATOM 2238 N PRO S 37 29.346 9.406 19.655 1.00 0.00 N ATOM 2239 CA PRO S 37 28.414 10.517 19.414 1.00 0.00 C ATOM 2240 C PRO S 37 27.653 10.326 18.104 1.00 0.00 C ATOM 2241 O PRO S 37 26.441 10.244 18.100 1.00 0.00 O ATOM 2242 CB PRO S 37 29.293 11.763 19.319 1.00 0.00 C ATOM 2243 CG PRO S 37 30.771 11.312 19.464 1.00 0.00 C ATOM 2244 CD PRO S 37 30.776 9.784 19.646 1.00 0.00 C ATOM 0 HA PRO S 37 27.669 10.585 20.207 1.00 0.00 H new ATOM 0 HB2 PRO S 37 29.139 12.267 18.365 1.00 0.00 H new ATOM 0 HB3 PRO S 37 29.032 12.475 20.102 1.00 0.00 H new ATOM 0 HG2 PRO S 37 31.346 11.594 18.582 1.00 0.00 H new ATOM 0 HG3 PRO S 37 31.238 11.801 20.319 1.00 0.00 H new ATOM 0 HD2 PRO S 37 31.312 9.290 18.836 1.00 0.00 H new ATOM 0 HD3 PRO S 37 31.268 9.497 20.575 1.00 0.00 H new ATOM 2252 N LEU S 38 28.369 10.272 17.007 1.00 0.00 N ATOM 2253 CA LEU S 38 27.668 10.082 15.711 1.00 0.00 C ATOM 2254 C LEU S 38 26.748 8.882 15.835 1.00 0.00 C ATOM 2255 O LEU S 38 25.644 8.885 15.329 1.00 0.00 O ATOM 2256 CB LEU S 38 28.722 9.895 14.597 1.00 0.00 C ATOM 2257 CG LEU S 38 28.962 8.413 14.266 1.00 0.00 C ATOM 2258 CD1 LEU S 38 27.812 7.853 13.413 1.00 0.00 C ATOM 2259 CD2 LEU S 38 30.253 8.313 13.460 1.00 0.00 C ATOM 0 H LEU S 38 29.385 10.350 16.957 1.00 0.00 H new ATOM 0 HA LEU S 38 27.062 10.950 15.453 1.00 0.00 H new ATOM 0 HB2 LEU S 38 28.395 10.418 13.698 1.00 0.00 H new ATOM 0 HB3 LEU S 38 29.661 10.353 14.908 1.00 0.00 H new ATOM 0 HG LEU S 38 29.024 7.843 15.193 1.00 0.00 H new ATOM 0 HD11 LEU S 38 28.002 6.803 13.190 1.00 0.00 H new ATOM 0 HD12 LEU S 38 26.875 7.944 13.962 1.00 0.00 H new ATOM 0 HD13 LEU S 38 27.743 8.415 12.481 1.00 0.00 H new ATOM 0 HD21 LEU S 38 30.447 7.270 13.212 1.00 0.00 H new ATOM 0 HD22 LEU S 38 30.155 8.892 12.542 1.00 0.00 H new ATOM 0 HD23 LEU S 38 31.081 8.706 14.050 1.00 0.00 H new ATOM 2271 N LEU S 39 27.222 7.883 16.516 1.00 0.00 N ATOM 2272 CA LEU S 39 26.379 6.672 16.690 1.00 0.00 C ATOM 2273 C LEU S 39 25.090 7.088 17.385 1.00 0.00 C ATOM 2274 O LEU S 39 24.041 6.513 17.172 1.00 0.00 O ATOM 2275 CB LEU S 39 27.137 5.666 17.581 1.00 0.00 C ATOM 2276 CG LEU S 39 26.198 4.541 18.043 1.00 0.00 C ATOM 2277 CD1 LEU S 39 25.593 3.845 16.827 1.00 0.00 C ATOM 2278 CD2 LEU S 39 27.003 3.522 18.853 1.00 0.00 C ATOM 0 H LEU S 39 28.142 7.850 16.954 1.00 0.00 H new ATOM 0 HA LEU S 39 26.156 6.214 15.727 1.00 0.00 H new ATOM 0 HB2 LEU S 39 27.976 5.243 17.029 1.00 0.00 H new ATOM 0 HB3 LEU S 39 27.552 6.180 18.448 1.00 0.00 H new ATOM 0 HG LEU S 39 25.400 4.961 18.655 1.00 0.00 H new ATOM 0 HD11 LEU S 39 24.928 3.048 17.158 1.00 0.00 H new ATOM 0 HD12 LEU S 39 25.029 4.568 16.238 1.00 0.00 H new ATOM 0 HD13 LEU S 39 26.390 3.422 16.216 1.00 0.00 H new ATOM 0 HD21 LEU S 39 26.345 2.719 19.185 1.00 0.00 H new ATOM 0 HD22 LEU S 39 27.796 3.107 18.230 1.00 0.00 H new ATOM 0 HD23 LEU S 39 27.443 4.013 19.721 1.00 0.00 H new ATOM 2290 N ASN S 40 25.206 8.096 18.207 1.00 0.00 N ATOM 2291 CA ASN S 40 24.017 8.589 18.940 1.00 0.00 C ATOM 2292 C ASN S 40 23.165 9.527 18.082 1.00 0.00 C ATOM 2293 O ASN S 40 22.078 9.901 18.474 1.00 0.00 O ATOM 2294 CB ASN S 40 24.503 9.356 20.176 1.00 0.00 C ATOM 2295 CG ASN S 40 23.869 10.749 20.191 1.00 0.00 C ATOM 2296 OD1 ASN S 40 22.646 10.885 20.627 1.00 0.00 O flip ATOM 2297 ND2 ASN S 40 24.481 11.726 19.806 1.00 0.00 N flip ATOM 0 H ASN S 40 26.074 8.596 18.399 1.00 0.00 H new ATOM 0 HA ASN S 40 23.400 7.733 19.214 1.00 0.00 H new ATOM 0 HB2 ASN S 40 24.236 8.813 21.083 1.00 0.00 H new ATOM 0 HB3 ASN S 40 25.590 9.439 20.162 1.00 0.00 H new ATOM 0 HD21 ASN S 40 25.437 11.627 19.464 1.00 0.00 H new ATOM 0 HD22 ASN S 40 24.039 12.645 19.825 1.00 0.00 H new ATOM 2304 N LEU S 41 23.661 9.902 16.930 1.00 0.00 N ATOM 2305 CA LEU S 41 22.855 10.814 16.069 1.00 0.00 C ATOM 2306 C LEU S 41 21.556 10.120 15.663 1.00 0.00 C ATOM 2307 O LEU S 41 20.487 10.695 15.740 1.00 0.00 O ATOM 2308 CB LEU S 41 23.663 11.157 14.797 1.00 0.00 C ATOM 2309 CG LEU S 41 23.406 12.611 14.359 1.00 0.00 C ATOM 2310 CD1 LEU S 41 21.907 12.821 14.099 1.00 0.00 C ATOM 2311 CD2 LEU S 41 23.888 13.585 15.446 1.00 0.00 C ATOM 0 H LEU S 41 24.568 9.623 16.556 1.00 0.00 H new ATOM 0 HA LEU S 41 22.625 11.725 16.621 1.00 0.00 H new ATOM 0 HB2 LEU S 41 24.727 11.013 14.987 1.00 0.00 H new ATOM 0 HB3 LEU S 41 23.388 10.476 13.992 1.00 0.00 H new ATOM 0 HG LEU S 41 23.960 12.805 13.440 1.00 0.00 H new ATOM 0 HD11 LEU S 41 21.732 13.851 13.790 1.00 0.00 H new ATOM 0 HD12 LEU S 41 21.576 12.144 13.311 1.00 0.00 H new ATOM 0 HD13 LEU S 41 21.347 12.616 15.012 1.00 0.00 H new ATOM 0 HD21 LEU S 41 23.701 14.610 15.125 1.00 0.00 H new ATOM 0 HD22 LEU S 41 23.349 13.391 16.373 1.00 0.00 H new ATOM 0 HD23 LEU S 41 24.956 13.446 15.612 1.00 0.00 H new ATOM 2323 N MET S 42 21.681 8.887 15.245 1.00 0.00 N ATOM 2324 CA MET S 42 20.473 8.115 14.825 1.00 0.00 C ATOM 2325 C MET S 42 20.104 7.072 15.883 1.00 0.00 C ATOM 2326 O MET S 42 19.702 5.970 15.565 1.00 0.00 O ATOM 2327 CB MET S 42 20.806 7.398 13.508 1.00 0.00 C ATOM 2328 CG MET S 42 19.598 7.478 12.571 1.00 0.00 C ATOM 2329 SD MET S 42 19.243 9.086 11.818 1.00 0.00 S ATOM 2330 CE MET S 42 17.770 8.590 10.885 1.00 0.00 C ATOM 0 H MET S 42 22.565 8.382 15.176 1.00 0.00 H new ATOM 0 HA MET S 42 19.629 8.794 14.701 1.00 0.00 H new ATOM 0 HB2 MET S 42 21.676 7.858 13.039 1.00 0.00 H new ATOM 0 HB3 MET S 42 21.062 6.356 13.702 1.00 0.00 H new ATOM 0 HG2 MET S 42 19.743 6.754 11.769 1.00 0.00 H new ATOM 0 HG3 MET S 42 18.716 7.164 13.129 1.00 0.00 H new ATOM 0 HE1 MET S 42 17.381 9.448 10.336 1.00 0.00 H new ATOM 0 HE2 MET S 42 18.033 7.799 10.183 1.00 0.00 H new ATOM 0 HE3 MET S 42 17.009 8.225 11.574 1.00 0.00 H new ATOM 2340 N LEU S 43 20.235 7.451 17.126 1.00 0.00 N ATOM 2341 CA LEU S 43 19.904 6.512 18.228 1.00 0.00 C ATOM 2342 C LEU S 43 18.406 6.207 18.295 1.00 0.00 C ATOM 2343 O LEU S 43 17.975 5.436 19.126 1.00 0.00 O ATOM 2344 CB LEU S 43 20.406 7.166 19.534 1.00 0.00 C ATOM 2345 CG LEU S 43 19.271 7.843 20.336 1.00 0.00 C ATOM 2346 CD1 LEU S 43 18.556 6.832 21.250 1.00 0.00 C ATOM 2347 CD2 LEU S 43 19.894 8.930 21.217 1.00 0.00 C ATOM 0 H LEU S 43 20.558 8.372 17.423 1.00 0.00 H new ATOM 0 HA LEU S 43 20.388 5.550 18.062 1.00 0.00 H new ATOM 0 HB2 LEU S 43 20.882 6.408 20.156 1.00 0.00 H new ATOM 0 HB3 LEU S 43 21.169 7.907 19.295 1.00 0.00 H new ATOM 0 HG LEU S 43 18.544 8.257 19.637 1.00 0.00 H new ATOM 0 HD11 LEU S 43 17.763 7.337 21.801 1.00 0.00 H new ATOM 0 HD12 LEU S 43 18.126 6.035 20.644 1.00 0.00 H new ATOM 0 HD13 LEU S 43 19.272 6.407 21.953 1.00 0.00 H new ATOM 0 HD21 LEU S 43 19.112 9.423 21.794 1.00 0.00 H new ATOM 0 HD22 LEU S 43 20.616 8.478 21.897 1.00 0.00 H new ATOM 0 HD23 LEU S 43 20.398 9.664 20.588 1.00 0.00 H new ATOM 2359 N THR S 44 17.648 6.803 17.405 1.00 0.00 N ATOM 2360 CA THR S 44 16.174 6.559 17.400 1.00 0.00 C ATOM 2361 C THR S 44 15.867 5.097 17.754 1.00 0.00 C ATOM 2362 O THR S 44 16.695 4.232 17.547 1.00 0.00 O ATOM 2363 CB THR S 44 15.656 6.835 15.985 1.00 0.00 C ATOM 2364 OG1 THR S 44 16.747 6.554 15.128 1.00 0.00 O ATOM 2365 CG2 THR S 44 15.385 8.329 15.782 1.00 0.00 C ATOM 0 H THR S 44 17.986 7.444 16.687 1.00 0.00 H new ATOM 0 HA THR S 44 15.696 7.207 18.135 1.00 0.00 H new ATOM 0 HB THR S 44 14.751 6.255 15.805 1.00 0.00 H new ATOM 0 HG1 THR S 44 16.481 6.710 14.198 1.00 0.00 H new ATOM 0 HG21 THR S 44 15.018 8.498 14.770 1.00 0.00 H new ATOM 0 HG22 THR S 44 14.636 8.664 16.500 1.00 0.00 H new ATOM 0 HG23 THR S 44 16.308 8.890 15.932 1.00 0.00 H new ATOM 2373 N PRO S 45 14.682 4.831 18.271 1.00 0.00 N ATOM 2374 CA PRO S 45 14.310 3.459 18.637 1.00 0.00 C ATOM 2375 C PRO S 45 14.582 2.502 17.482 1.00 0.00 C ATOM 2376 O PRO S 45 14.564 1.298 17.647 1.00 0.00 O ATOM 2377 CB PRO S 45 12.803 3.527 18.935 1.00 0.00 C ATOM 2378 CG PRO S 45 12.372 5.012 18.827 1.00 0.00 C ATOM 2379 CD PRO S 45 13.622 5.838 18.489 1.00 0.00 C ATOM 0 HA PRO S 45 14.884 3.092 19.488 1.00 0.00 H new ATOM 0 HB2 PRO S 45 12.245 2.914 18.228 1.00 0.00 H new ATOM 0 HB3 PRO S 45 12.591 3.138 19.931 1.00 0.00 H new ATOM 0 HG2 PRO S 45 11.612 5.135 18.055 1.00 0.00 H new ATOM 0 HG3 PRO S 45 11.931 5.351 19.764 1.00 0.00 H new ATOM 0 HD2 PRO S 45 13.466 6.449 17.600 1.00 0.00 H new ATOM 0 HD3 PRO S 45 13.881 6.517 19.301 1.00 0.00 H new ATOM 2387 N ASP S 46 14.828 3.062 16.331 1.00 0.00 N ATOM 2388 CA ASP S 46 15.106 2.210 15.149 1.00 0.00 C ATOM 2389 C ASP S 46 16.427 1.470 15.337 1.00 0.00 C ATOM 2390 O ASP S 46 16.456 0.260 15.439 1.00 0.00 O ATOM 2391 CB ASP S 46 15.215 3.118 13.919 1.00 0.00 C ATOM 2392 CG ASP S 46 14.010 2.882 13.007 1.00 0.00 C ATOM 2393 OD1 ASP S 46 12.911 3.046 13.508 1.00 0.00 O ATOM 2394 OD2 ASP S 46 14.258 2.549 11.858 1.00 0.00 O ATOM 0 H ASP S 46 14.848 4.068 16.161 1.00 0.00 H new ATOM 0 HA ASP S 46 14.305 1.481 15.023 1.00 0.00 H new ATOM 0 HB2 ASP S 46 15.253 4.163 14.227 1.00 0.00 H new ATOM 0 HB3 ASP S 46 16.139 2.910 13.380 1.00 0.00 H new ATOM 2399 N GLU S 47 17.500 2.216 15.382 1.00 0.00 N ATOM 2400 CA GLU S 47 18.825 1.570 15.566 1.00 0.00 C ATOM 2401 C GLU S 47 18.815 0.720 16.831 1.00 0.00 C ATOM 2402 O GLU S 47 19.360 -0.363 16.863 1.00 0.00 O ATOM 2403 CB GLU S 47 19.885 2.668 15.718 1.00 0.00 C ATOM 2404 CG GLU S 47 20.271 3.183 14.331 1.00 0.00 C ATOM 2405 CD GLU S 47 21.241 2.197 13.677 1.00 0.00 C ATOM 2406 OE1 GLU S 47 22.234 1.906 14.325 1.00 0.00 O ATOM 2407 OE2 GLU S 47 20.936 1.794 12.568 1.00 0.00 O ATOM 0 H GLU S 47 17.513 3.233 15.300 1.00 0.00 H new ATOM 0 HA GLU S 47 19.046 0.937 14.707 1.00 0.00 H new ATOM 0 HB2 GLU S 47 19.497 3.484 16.328 1.00 0.00 H new ATOM 0 HB3 GLU S 47 20.763 2.275 16.232 1.00 0.00 H new ATOM 0 HG2 GLU S 47 19.381 3.299 13.713 1.00 0.00 H new ATOM 0 HG3 GLU S 47 20.734 4.167 14.412 1.00 0.00 H new ATOM 2414 N ARG S 48 18.190 1.239 17.850 1.00 0.00 N ATOM 2415 CA ARG S 48 18.123 0.492 19.129 1.00 0.00 C ATOM 2416 C ARG S 48 17.493 -0.883 18.918 1.00 0.00 C ATOM 2417 O ARG S 48 18.009 -1.885 19.375 1.00 0.00 O ATOM 2418 CB ARG S 48 17.242 1.293 20.097 1.00 0.00 C ATOM 2419 CG ARG S 48 17.379 0.708 21.503 1.00 0.00 C ATOM 2420 CD ARG S 48 16.260 1.263 22.387 1.00 0.00 C ATOM 2421 NE ARG S 48 16.781 1.438 23.771 1.00 0.00 N ATOM 2422 CZ ARG S 48 16.290 2.380 24.527 1.00 0.00 C ATOM 2423 NH1 ARG S 48 15.006 2.392 24.763 1.00 0.00 N ATOM 2424 NH2 ARG S 48 17.098 3.275 25.024 1.00 0.00 N ATOM 0 H ARG S 48 17.724 2.147 17.850 1.00 0.00 H new ATOM 0 HA ARG S 48 19.130 0.358 19.525 1.00 0.00 H new ATOM 0 HB2 ARG S 48 17.540 2.342 20.096 1.00 0.00 H new ATOM 0 HB3 ARG S 48 16.201 1.257 19.775 1.00 0.00 H new ATOM 0 HG2 ARG S 48 17.324 -0.380 21.465 1.00 0.00 H new ATOM 0 HG3 ARG S 48 18.352 0.963 21.923 1.00 0.00 H new ATOM 0 HD2 ARG S 48 15.907 2.216 21.994 1.00 0.00 H new ATOM 0 HD3 ARG S 48 15.408 0.583 22.388 1.00 0.00 H new ATOM 0 HE ARG S 48 17.516 0.826 24.125 1.00 0.00 H new ATOM 0 HH11 ARG S 48 14.406 1.673 24.358 1.00 0.00 H new ATOM 0 HH12 ARG S 48 14.602 3.121 25.352 1.00 0.00 H new ATOM 0 HH21 ARG S 48 18.096 3.231 24.819 1.00 0.00 H new ATOM 0 HH22 ARG S 48 16.732 4.019 25.618 1.00 0.00 H new ATOM 2438 N GLU S 49 16.385 -0.900 18.231 1.00 0.00 N ATOM 2439 CA GLU S 49 15.697 -2.194 17.971 1.00 0.00 C ATOM 2440 C GLU S 49 16.584 -3.141 17.164 1.00 0.00 C ATOM 2441 O GLU S 49 16.215 -4.271 16.915 1.00 0.00 O ATOM 2442 CB GLU S 49 14.421 -1.905 17.169 1.00 0.00 C ATOM 2443 CG GLU S 49 13.224 -1.863 18.123 1.00 0.00 C ATOM 2444 CD GLU S 49 12.006 -1.309 17.382 1.00 0.00 C ATOM 2445 OE1 GLU S 49 11.973 -1.494 16.176 1.00 0.00 O ATOM 2446 OE2 GLU S 49 11.174 -0.730 18.063 1.00 0.00 O ATOM 0 H GLU S 49 15.928 -0.076 17.840 1.00 0.00 H new ATOM 0 HA GLU S 49 15.467 -2.670 18.924 1.00 0.00 H new ATOM 0 HB2 GLU S 49 14.515 -0.955 16.643 1.00 0.00 H new ATOM 0 HB3 GLU S 49 14.271 -2.675 16.412 1.00 0.00 H new ATOM 0 HG2 GLU S 49 13.010 -2.863 18.501 1.00 0.00 H new ATOM 0 HG3 GLU S 49 13.454 -1.238 18.986 1.00 0.00 H new ATOM 2453 N ALA S 50 17.734 -2.656 16.769 1.00 0.00 N ATOM 2454 CA ALA S 50 18.670 -3.504 15.976 1.00 0.00 C ATOM 2455 C ALA S 50 19.953 -3.796 16.756 1.00 0.00 C ATOM 2456 O ALA S 50 20.461 -4.898 16.733 1.00 0.00 O ATOM 2457 CB ALA S 50 19.039 -2.737 14.700 1.00 0.00 C ATOM 0 H ALA S 50 18.063 -1.710 16.962 1.00 0.00 H new ATOM 0 HA ALA S 50 18.182 -4.452 15.749 1.00 0.00 H new ATOM 0 HB1 ALA S 50 19.724 -3.336 14.101 1.00 0.00 H new ATOM 0 HB2 ALA S 50 18.136 -2.533 14.124 1.00 0.00 H new ATOM 0 HB3 ALA S 50 19.519 -1.796 14.967 1.00 0.00 H new ATOM 2463 N LEU S 51 20.445 -2.795 17.433 1.00 0.00 N ATOM 2464 CA LEU S 51 21.694 -2.971 18.226 1.00 0.00 C ATOM 2465 C LEU S 51 21.638 -4.236 19.081 1.00 0.00 C ATOM 2466 O LEU S 51 22.238 -5.241 18.750 1.00 0.00 O ATOM 2467 CB LEU S 51 21.842 -1.733 19.141 1.00 0.00 C ATOM 2468 CG LEU S 51 23.272 -1.602 19.714 1.00 0.00 C ATOM 2469 CD1 LEU S 51 23.663 -2.827 20.536 1.00 0.00 C ATOM 2470 CD2 LEU S 51 24.287 -1.353 18.599 1.00 0.00 C ATOM 0 H LEU S 51 20.035 -1.862 17.471 1.00 0.00 H new ATOM 0 HA LEU S 51 22.544 -3.070 17.551 1.00 0.00 H new ATOM 0 HB2 LEU S 51 21.594 -0.834 18.577 1.00 0.00 H new ATOM 0 HB3 LEU S 51 21.128 -1.802 19.962 1.00 0.00 H new ATOM 0 HG LEU S 51 23.277 -0.741 20.382 1.00 0.00 H new ATOM 0 HD11 LEU S 51 24.674 -2.698 20.922 1.00 0.00 H new ATOM 0 HD12 LEU S 51 22.969 -2.943 21.368 1.00 0.00 H new ATOM 0 HD13 LEU S 51 23.626 -3.715 19.905 1.00 0.00 H new ATOM 0 HD21 LEU S 51 25.285 -1.265 19.028 1.00 0.00 H new ATOM 0 HD22 LEU S 51 24.267 -2.186 17.896 1.00 0.00 H new ATOM 0 HD23 LEU S 51 24.034 -0.431 18.076 1.00 0.00 H new ATOM 2482 N GLY S 52 20.915 -4.170 20.161 1.00 0.00 N ATOM 2483 CA GLY S 52 20.819 -5.358 21.042 1.00 0.00 C ATOM 2484 C GLY S 52 20.437 -6.609 20.235 1.00 0.00 C ATOM 2485 O GLY S 52 20.973 -7.680 20.450 1.00 0.00 O ATOM 0 H GLY S 52 20.391 -3.351 20.468 1.00 0.00 H new ATOM 0 HA2 GLY S 52 21.772 -5.521 21.544 1.00 0.00 H new ATOM 0 HA3 GLY S 52 20.076 -5.180 21.819 1.00 0.00 H new ATOM 2489 N THR S 53 19.523 -6.440 19.317 1.00 0.00 N ATOM 2490 CA THR S 53 19.091 -7.599 18.489 1.00 0.00 C ATOM 2491 C THR S 53 20.188 -8.042 17.522 1.00 0.00 C ATOM 2492 O THR S 53 20.166 -9.152 17.029 1.00 0.00 O ATOM 2493 CB THR S 53 17.865 -7.175 17.680 1.00 0.00 C ATOM 2494 OG1 THR S 53 17.756 -5.778 17.880 1.00 0.00 O ATOM 2495 CG2 THR S 53 16.585 -7.756 18.292 1.00 0.00 C ATOM 0 H THR S 53 19.061 -5.555 19.107 1.00 0.00 H new ATOM 0 HA THR S 53 18.866 -8.436 19.150 1.00 0.00 H new ATOM 0 HB THR S 53 17.972 -7.495 16.644 1.00 0.00 H new ATOM 0 HG1 THR S 53 16.873 -5.473 17.584 1.00 0.00 H new ATOM 0 HG21 THR S 53 15.724 -7.442 17.701 1.00 0.00 H new ATOM 0 HG22 THR S 53 16.645 -8.844 18.296 1.00 0.00 H new ATOM 0 HG23 THR S 53 16.474 -7.395 19.315 1.00 0.00 H new ATOM 2503 N ARG S 54 21.126 -7.172 17.269 1.00 0.00 N ATOM 2504 CA ARG S 54 22.227 -7.542 16.337 1.00 0.00 C ATOM 2505 C ARG S 54 23.266 -8.414 17.034 1.00 0.00 C ATOM 2506 O ARG S 54 23.912 -9.229 16.406 1.00 0.00 O ATOM 2507 CB ARG S 54 22.909 -6.255 15.856 1.00 0.00 C ATOM 2508 CG ARG S 54 24.066 -6.619 14.922 1.00 0.00 C ATOM 2509 CD ARG S 54 24.556 -5.353 14.219 1.00 0.00 C ATOM 2510 NE ARG S 54 23.530 -4.918 13.230 1.00 0.00 N ATOM 2511 CZ ARG S 54 23.876 -4.123 12.255 1.00 0.00 C ATOM 2512 NH1 ARG S 54 23.953 -2.842 12.485 1.00 0.00 N ATOM 2513 NH2 ARG S 54 24.135 -4.637 11.085 1.00 0.00 N ATOM 0 H ARG S 54 21.178 -6.232 17.662 1.00 0.00 H new ATOM 0 HA ARG S 54 21.807 -8.102 15.501 1.00 0.00 H new ATOM 0 HB2 ARG S 54 22.191 -5.621 15.336 1.00 0.00 H new ATOM 0 HB3 ARG S 54 23.279 -5.685 16.708 1.00 0.00 H new ATOM 0 HG2 ARG S 54 24.879 -7.073 15.489 1.00 0.00 H new ATOM 0 HG3 ARG S 54 23.739 -7.355 14.187 1.00 0.00 H new ATOM 0 HD2 ARG S 54 24.735 -4.563 14.948 1.00 0.00 H new ATOM 0 HD3 ARG S 54 25.505 -5.544 13.718 1.00 0.00 H new ATOM 0 HE ARG S 54 22.565 -5.239 13.314 1.00 0.00 H new ATOM 0 HH11 ARG S 54 23.744 -2.477 13.414 1.00 0.00 H new ATOM 0 HH12 ARG S 54 24.222 -2.205 11.735 1.00 0.00 H new ATOM 0 HH21 ARG S 54 24.066 -5.645 10.944 1.00 0.00 H new ATOM 0 HH22 ARG S 54 24.407 -4.031 10.311 1.00 0.00 H new ATOM 2527 N VAL S 55 23.425 -8.216 18.312 1.00 0.00 N ATOM 2528 CA VAL S 55 24.417 -9.030 19.049 1.00 0.00 C ATOM 2529 C VAL S 55 23.827 -10.383 19.459 1.00 0.00 C ATOM 2530 O VAL S 55 24.543 -11.360 19.591 1.00 0.00 O ATOM 2531 CB VAL S 55 24.843 -8.233 20.296 1.00 0.00 C ATOM 2532 CG1 VAL S 55 24.535 -6.750 20.082 1.00 0.00 C ATOM 2533 CG2 VAL S 55 24.086 -8.715 21.542 1.00 0.00 C ATOM 0 H VAL S 55 22.914 -7.532 18.870 1.00 0.00 H new ATOM 0 HA VAL S 55 25.276 -9.233 18.410 1.00 0.00 H new ATOM 0 HB VAL S 55 25.912 -8.385 20.448 1.00 0.00 H new ATOM 0 HG11 VAL S 55 24.836 -6.185 20.964 1.00 0.00 H new ATOM 0 HG12 VAL S 55 25.084 -6.386 19.213 1.00 0.00 H new ATOM 0 HG13 VAL S 55 23.465 -6.621 19.916 1.00 0.00 H new ATOM 0 HG21 VAL S 55 24.405 -8.136 22.408 1.00 0.00 H new ATOM 0 HG22 VAL S 55 23.015 -8.582 21.391 1.00 0.00 H new ATOM 0 HG23 VAL S 55 24.300 -9.770 21.712 1.00 0.00 H new ATOM 2543 N ARG S 56 22.532 -10.416 19.645 1.00 0.00 N ATOM 2544 CA ARG S 56 21.881 -11.696 20.048 1.00 0.00 C ATOM 2545 C ARG S 56 22.123 -12.796 19.009 1.00 0.00 C ATOM 2546 O ARG S 56 22.721 -13.805 19.310 1.00 0.00 O ATOM 2547 CB ARG S 56 20.368 -11.456 20.175 1.00 0.00 C ATOM 2548 CG ARG S 56 20.101 -10.453 21.306 1.00 0.00 C ATOM 2549 CD ARG S 56 19.573 -11.187 22.545 1.00 0.00 C ATOM 2550 NE ARG S 56 20.632 -12.096 23.063 1.00 0.00 N ATOM 2551 CZ ARG S 56 20.360 -12.890 24.065 1.00 0.00 C ATOM 2552 NH1 ARG S 56 19.551 -12.471 25.001 1.00 0.00 N ATOM 2553 NH2 ARG S 56 20.902 -14.076 24.098 1.00 0.00 N ATOM 0 H ARG S 56 21.904 -9.620 19.536 1.00 0.00 H new ATOM 0 HA ARG S 56 22.308 -12.021 20.997 1.00 0.00 H new ATOM 0 HB2 ARG S 56 19.970 -11.075 19.235 1.00 0.00 H new ATOM 0 HB3 ARG S 56 19.856 -12.396 20.380 1.00 0.00 H new ATOM 0 HG2 ARG S 56 21.018 -9.919 21.553 1.00 0.00 H new ATOM 0 HG3 ARG S 56 19.376 -9.708 20.978 1.00 0.00 H new ATOM 0 HD2 ARG S 56 19.286 -10.469 23.313 1.00 0.00 H new ATOM 0 HD3 ARG S 56 18.679 -11.757 22.291 1.00 0.00 H new ATOM 0 HE ARG S 56 21.560 -12.099 22.640 1.00 0.00 H new ATOM 0 HH11 ARG S 56 19.143 -11.538 24.942 1.00 0.00 H new ATOM 0 HH12 ARG S 56 19.327 -13.077 25.790 1.00 0.00 H new ATOM 0 HH21 ARG S 56 21.528 -14.372 23.349 1.00 0.00 H new ATOM 0 HH22 ARG S 56 20.700 -14.708 24.873 1.00 0.00 H new ATOM 2567 N ILE S 57 21.650 -12.584 17.805 1.00 0.00 N ATOM 2568 CA ILE S 57 21.841 -13.599 16.739 1.00 0.00 C ATOM 2569 C ILE S 57 23.221 -14.245 16.805 1.00 0.00 C ATOM 2570 O ILE S 57 23.355 -15.399 17.146 1.00 0.00 O ATOM 2571 CB ILE S 57 21.715 -12.885 15.403 1.00 0.00 C ATOM 2572 CG1 ILE S 57 22.142 -11.426 15.542 1.00 0.00 C ATOM 2573 CG2 ILE S 57 20.249 -12.938 14.971 1.00 0.00 C ATOM 2574 CD1 ILE S 57 22.661 -10.934 14.192 1.00 0.00 C ATOM 0 H ILE S 57 21.140 -11.748 17.520 1.00 0.00 H new ATOM 0 HA ILE S 57 21.095 -14.384 16.865 1.00 0.00 H new ATOM 0 HB ILE S 57 22.355 -13.369 14.665 1.00 0.00 H new ATOM 0 HG12 ILE S 57 21.300 -10.816 15.868 1.00 0.00 H new ATOM 0 HG13 ILE S 57 22.917 -11.331 16.302 1.00 0.00 H new ATOM 0 HG21 ILE S 57 20.133 -12.431 14.013 1.00 0.00 H new ATOM 0 HG22 ILE S 57 19.936 -13.977 14.872 1.00 0.00 H new ATOM 0 HG23 ILE S 57 19.631 -12.443 15.720 1.00 0.00 H new ATOM 0 HD11 ILE S 57 22.969 -9.892 14.279 1.00 0.00 H new ATOM 0 HD12 ILE S 57 23.514 -11.541 13.887 1.00 0.00 H new ATOM 0 HD13 ILE S 57 21.871 -11.018 13.446 1.00 0.00 H new ATOM 2586 N VAL S 58 24.204 -13.486 16.423 1.00 0.00 N ATOM 2587 CA VAL S 58 25.603 -13.997 16.443 1.00 0.00 C ATOM 2588 C VAL S 58 25.868 -14.894 17.659 1.00 0.00 C ATOM 2589 O VAL S 58 26.103 -16.081 17.519 1.00 0.00 O ATOM 2590 CB VAL S 58 26.536 -12.774 16.517 1.00 0.00 C ATOM 2591 CG1 VAL S 58 27.980 -13.229 16.765 1.00 0.00 C ATOM 2592 CG2 VAL S 58 26.461 -12.018 15.189 1.00 0.00 C ATOM 0 H VAL S 58 24.100 -12.526 16.095 1.00 0.00 H new ATOM 0 HA VAL S 58 25.777 -14.595 15.548 1.00 0.00 H new ATOM 0 HB VAL S 58 26.225 -12.126 17.336 1.00 0.00 H new ATOM 0 HG11 VAL S 58 28.632 -12.357 16.816 1.00 0.00 H new ATOM 0 HG12 VAL S 58 28.032 -13.777 17.706 1.00 0.00 H new ATOM 0 HG13 VAL S 58 28.303 -13.877 15.950 1.00 0.00 H new ATOM 0 HG21 VAL S 58 27.117 -11.149 15.228 1.00 0.00 H new ATOM 0 HG22 VAL S 58 26.776 -12.675 14.378 1.00 0.00 H new ATOM 0 HG23 VAL S 58 25.436 -11.691 15.014 1.00 0.00 H new ATOM 2602 N GLU S 59 25.800 -14.311 18.830 1.00 0.00 N ATOM 2603 CA GLU S 59 26.049 -15.111 20.063 1.00 0.00 C ATOM 2604 C GLU S 59 24.918 -16.093 20.394 1.00 0.00 C ATOM 2605 O GLU S 59 24.904 -16.668 21.465 1.00 0.00 O ATOM 2606 CB GLU S 59 26.238 -14.142 21.243 1.00 0.00 C ATOM 2607 CG GLU S 59 24.888 -13.854 21.909 1.00 0.00 C ATOM 2608 CD GLU S 59 24.982 -12.555 22.707 1.00 0.00 C ATOM 2609 OE1 GLU S 59 26.026 -12.361 23.308 1.00 0.00 O ATOM 2610 OE2 GLU S 59 24.001 -11.831 22.675 1.00 0.00 O ATOM 0 H GLU S 59 25.585 -13.326 18.983 1.00 0.00 H new ATOM 0 HA GLU S 59 26.941 -15.712 19.885 1.00 0.00 H new ATOM 0 HB2 GLU S 59 26.927 -14.572 21.970 1.00 0.00 H new ATOM 0 HB3 GLU S 59 26.685 -13.212 20.892 1.00 0.00 H new ATOM 0 HG2 GLU S 59 24.107 -13.773 21.153 1.00 0.00 H new ATOM 0 HG3 GLU S 59 24.611 -14.678 22.566 1.00 0.00 H new ATOM 2617 N GLU S 60 24.003 -16.276 19.477 1.00 0.00 N ATOM 2618 CA GLU S 60 22.871 -17.219 19.735 1.00 0.00 C ATOM 2619 C GLU S 60 22.895 -18.408 18.772 1.00 0.00 C ATOM 2620 O GLU S 60 22.604 -19.523 19.159 1.00 0.00 O ATOM 2621 CB GLU S 60 21.548 -16.468 19.536 1.00 0.00 C ATOM 2622 CG GLU S 60 21.211 -15.701 20.815 1.00 0.00 C ATOM 2623 CD GLU S 60 20.774 -16.690 21.899 1.00 0.00 C ATOM 2624 OE1 GLU S 60 19.793 -17.369 21.649 1.00 0.00 O ATOM 2625 OE2 GLU S 60 21.448 -16.712 22.916 1.00 0.00 O ATOM 0 H GLU S 60 23.989 -15.817 18.566 1.00 0.00 H new ATOM 0 HA GLU S 60 22.969 -17.594 20.754 1.00 0.00 H new ATOM 0 HB2 GLU S 60 21.629 -15.779 18.695 1.00 0.00 H new ATOM 0 HB3 GLU S 60 20.749 -17.170 19.297 1.00 0.00 H new ATOM 0 HG2 GLU S 60 22.079 -15.135 21.152 1.00 0.00 H new ATOM 0 HG3 GLU S 60 20.416 -14.981 20.622 1.00 0.00 H new ATOM 3131 N VAL S 94 27.983 -19.613 4.713 1.00 0.00 N ATOM 3132 CA VAL S 94 29.396 -20.002 4.481 1.00 0.00 C ATOM 3133 C VAL S 94 30.274 -18.758 4.412 1.00 0.00 C ATOM 3134 O VAL S 94 31.485 -18.849 4.375 1.00 0.00 O ATOM 3135 CB VAL S 94 29.484 -20.754 3.146 1.00 0.00 C ATOM 3136 CG1 VAL S 94 30.715 -21.662 3.156 1.00 0.00 C ATOM 3137 CG2 VAL S 94 28.230 -21.611 2.971 1.00 0.00 C ATOM 0 HA VAL S 94 29.740 -20.636 5.298 1.00 0.00 H new ATOM 0 HB VAL S 94 29.562 -20.040 2.326 1.00 0.00 H new ATOM 0 HG11 VAL S 94 30.780 -22.197 2.209 1.00 0.00 H new ATOM 0 HG12 VAL S 94 31.612 -21.058 3.293 1.00 0.00 H new ATOM 0 HG13 VAL S 94 30.632 -22.379 3.973 1.00 0.00 H new ATOM 0 HG21 VAL S 94 28.286 -22.148 2.024 1.00 0.00 H new ATOM 0 HG22 VAL S 94 28.161 -22.326 3.791 1.00 0.00 H new ATOM 0 HG23 VAL S 94 27.348 -20.970 2.973 1.00 0.00 H new ATOM 3147 N GLU S 95 29.637 -17.617 4.397 1.00 0.00 N ATOM 3148 CA GLU S 95 30.405 -16.347 4.331 1.00 0.00 C ATOM 3149 C GLU S 95 30.524 -15.710 5.713 1.00 0.00 C ATOM 3150 O GLU S 95 31.348 -14.845 5.929 1.00 0.00 O ATOM 3151 CB GLU S 95 29.659 -15.378 3.409 1.00 0.00 C ATOM 3152 CG GLU S 95 29.304 -16.098 2.106 1.00 0.00 C ATOM 3153 CD GLU S 95 29.547 -15.159 0.922 1.00 0.00 C ATOM 3154 OE1 GLU S 95 30.705 -15.036 0.557 1.00 0.00 O ATOM 3155 OE2 GLU S 95 28.561 -14.621 0.447 1.00 0.00 O ATOM 0 H GLU S 95 28.623 -17.513 4.428 1.00 0.00 H new ATOM 0 HA GLU S 95 31.406 -16.558 3.955 1.00 0.00 H new ATOM 0 HB2 GLU S 95 28.754 -15.016 3.897 1.00 0.00 H new ATOM 0 HB3 GLU S 95 30.279 -14.506 3.200 1.00 0.00 H new ATOM 0 HG2 GLU S 95 29.908 -16.999 1.999 1.00 0.00 H new ATOM 0 HG3 GLU S 95 28.261 -16.414 2.125 1.00 0.00 H new ATOM 3162 N LEU S 96 29.692 -16.140 6.621 1.00 0.00 N ATOM 3163 CA LEU S 96 29.751 -15.565 7.990 1.00 0.00 C ATOM 3164 C LEU S 96 30.816 -16.263 8.822 1.00 0.00 C ATOM 3165 O LEU S 96 31.517 -15.633 9.595 1.00 0.00 O ATOM 3166 CB LEU S 96 28.376 -15.739 8.650 1.00 0.00 C ATOM 3167 CG LEU S 96 28.425 -15.252 10.105 1.00 0.00 C ATOM 3168 CD1 LEU S 96 28.981 -13.825 10.173 1.00 0.00 C ATOM 3169 CD2 LEU S 96 27.002 -15.247 10.659 1.00 0.00 C ATOM 0 H LEU S 96 28.982 -16.857 6.475 1.00 0.00 H new ATOM 0 HA LEU S 96 30.010 -14.508 7.929 1.00 0.00 H new ATOM 0 HB2 LEU S 96 27.624 -15.178 8.095 1.00 0.00 H new ATOM 0 HB3 LEU S 96 28.079 -16.787 8.619 1.00 0.00 H new ATOM 0 HG LEU S 96 29.069 -15.913 10.684 1.00 0.00 H new ATOM 0 HD11 LEU S 96 29.009 -13.495 11.211 1.00 0.00 H new ATOM 0 HD12 LEU S 96 29.989 -13.807 9.759 1.00 0.00 H new ATOM 0 HD13 LEU S 96 28.340 -13.157 9.597 1.00 0.00 H new ATOM 0 HD21 LEU S 96 27.015 -14.903 11.693 1.00 0.00 H new ATOM 0 HD22 LEU S 96 26.382 -14.578 10.063 1.00 0.00 H new ATOM 0 HD23 LEU S 96 26.592 -16.256 10.617 1.00 0.00 H new ATOM 3181 N ARG S 97 30.919 -17.552 8.659 1.00 0.00 N ATOM 3182 CA ARG S 97 31.929 -18.292 9.427 1.00 0.00 C ATOM 3183 C ARG S 97 33.294 -17.661 9.202 1.00 0.00 C ATOM 3184 O ARG S 97 34.137 -17.645 10.072 1.00 0.00 O ATOM 3185 CB ARG S 97 31.949 -19.725 8.889 1.00 0.00 C ATOM 3186 CG ARG S 97 30.552 -20.339 9.002 1.00 0.00 C ATOM 3187 CD ARG S 97 30.567 -21.738 8.375 1.00 0.00 C ATOM 3188 NE ARG S 97 29.222 -22.359 8.544 1.00 0.00 N ATOM 3189 CZ ARG S 97 29.099 -23.656 8.475 1.00 0.00 C ATOM 3190 NH1 ARG S 97 29.913 -24.404 9.168 1.00 0.00 N ATOM 3191 NH2 ARG S 97 28.157 -24.160 7.724 1.00 0.00 N ATOM 0 H ARG S 97 30.346 -18.113 8.028 1.00 0.00 H new ATOM 0 HA ARG S 97 31.697 -18.274 10.492 1.00 0.00 H new ATOM 0 HB2 ARG S 97 32.275 -19.728 7.849 1.00 0.00 H new ATOM 0 HB3 ARG S 97 32.666 -20.324 9.450 1.00 0.00 H new ATOM 0 HG2 ARG S 97 30.251 -20.399 10.048 1.00 0.00 H new ATOM 0 HG3 ARG S 97 29.822 -19.708 8.496 1.00 0.00 H new ATOM 0 HD2 ARG S 97 30.822 -21.674 7.317 1.00 0.00 H new ATOM 0 HD3 ARG S 97 31.329 -22.355 8.850 1.00 0.00 H new ATOM 0 HE ARG S 97 28.404 -21.774 8.712 1.00 0.00 H new ATOM 0 HH11 ARG S 97 30.630 -23.973 9.751 1.00 0.00 H new ATOM 0 HH12 ARG S 97 29.832 -25.420 9.127 1.00 0.00 H new ATOM 0 HH21 ARG S 97 27.534 -23.542 7.204 1.00 0.00 H new ATOM 0 HH22 ARG S 97 28.045 -25.172 7.657 1.00 0.00 H new ATOM 3205 N GLN S 98 33.464 -17.127 8.026 1.00 0.00 N ATOM 3206 CA GLN S 98 34.745 -16.482 7.681 1.00 0.00 C ATOM 3207 C GLN S 98 35.282 -15.644 8.834 1.00 0.00 C ATOM 3208 O GLN S 98 36.306 -15.959 9.410 1.00 0.00 O ATOM 3209 CB GLN S 98 34.466 -15.565 6.495 1.00 0.00 C ATOM 3210 CG GLN S 98 34.315 -16.413 5.234 1.00 0.00 C ATOM 3211 CD GLN S 98 35.666 -16.524 4.521 1.00 0.00 C ATOM 3212 OE1 GLN S 98 36.761 -16.313 5.197 1.00 0.00 O flip ATOM 3213 NE2 GLN S 98 35.734 -16.801 3.340 1.00 0.00 N flip ATOM 0 H GLN S 98 32.760 -17.113 7.288 1.00 0.00 H new ATOM 0 HA GLN S 98 35.490 -17.244 7.454 1.00 0.00 H new ATOM 0 HB2 GLN S 98 33.558 -14.988 6.671 1.00 0.00 H new ATOM 0 HB3 GLN S 98 35.280 -14.850 6.373 1.00 0.00 H new ATOM 0 HG2 GLN S 98 33.947 -17.406 5.494 1.00 0.00 H new ATOM 0 HG3 GLN S 98 33.578 -15.964 4.569 1.00 0.00 H new ATOM 0 HE21 GLN S 98 34.881 -16.967 2.805 1.00 0.00 H new ATOM 0 HE22 GLN S 98 36.644 -16.867 2.883 1.00 0.00 H new ATOM 3222 N TRP S 99 34.579 -14.593 9.158 1.00 0.00 N ATOM 3223 CA TRP S 99 35.053 -13.731 10.279 1.00 0.00 C ATOM 3224 C TRP S 99 34.577 -14.204 11.649 1.00 0.00 C ATOM 3225 O TRP S 99 35.360 -14.387 12.556 1.00 0.00 O ATOM 3226 CB TRP S 99 34.509 -12.307 10.123 1.00 0.00 C ATOM 3227 CG TRP S 99 35.022 -11.531 11.309 1.00 0.00 C ATOM 3228 CD1 TRP S 99 36.323 -11.311 11.560 1.00 0.00 C ATOM 3229 CD2 TRP S 99 34.263 -10.952 12.223 1.00 0.00 C ATOM 3230 NE1 TRP S 99 36.300 -10.563 12.651 1.00 0.00 N ATOM 3231 CE2 TRP S 99 35.067 -10.289 13.125 1.00 0.00 C ATOM 3232 CE3 TRP S 99 32.881 -10.914 12.377 1.00 0.00 C ATOM 3233 CZ2 TRP S 99 34.512 -9.593 14.149 1.00 0.00 C ATOM 3234 CZ3 TRP S 99 32.337 -10.205 13.413 1.00 0.00 C ATOM 3235 CH2 TRP S 99 33.158 -9.543 14.292 1.00 0.00 C ATOM 0 H TRP S 99 33.714 -14.297 8.706 1.00 0.00 H new ATOM 0 HA TRP S 99 36.141 -13.777 10.230 1.00 0.00 H new ATOM 0 HB2 TRP S 99 34.849 -11.860 9.189 1.00 0.00 H new ATOM 0 HB3 TRP S 99 33.419 -12.307 10.099 1.00 0.00 H new ATOM 0 HD1 TRP S 99 37.181 -11.660 11.005 1.00 0.00 H new ATOM 0 HE1 TRP S 99 37.149 -10.220 13.099 1.00 0.00 H new ATOM 0 HE3 TRP S 99 32.242 -11.440 11.684 1.00 0.00 H new ATOM 0 HZ2 TRP S 99 35.146 -9.076 14.854 1.00 0.00 H new ATOM 0 HZ3 TRP S 99 31.265 -10.166 13.539 1.00 0.00 H new ATOM 0 HH2 TRP S 99 32.726 -8.977 15.104 1.00 0.00 H new ATOM 3246 N LEU S 100 33.296 -14.353 11.775 1.00 0.00 N ATOM 3247 CA LEU S 100 32.720 -14.806 13.071 1.00 0.00 C ATOM 3248 C LEU S 100 33.586 -15.833 13.813 1.00 0.00 C ATOM 3249 O LEU S 100 33.990 -15.603 14.934 1.00 0.00 O ATOM 3250 CB LEU S 100 31.357 -15.410 12.793 1.00 0.00 C ATOM 3251 CG LEU S 100 30.450 -15.121 13.990 1.00 0.00 C ATOM 3252 CD1 LEU S 100 29.952 -13.670 13.936 1.00 0.00 C ATOM 3253 CD2 LEU S 100 29.260 -16.065 13.935 1.00 0.00 C ATOM 0 H LEU S 100 32.615 -14.181 11.035 1.00 0.00 H new ATOM 0 HA LEU S 100 32.660 -13.934 13.722 1.00 0.00 H new ATOM 0 HB2 LEU S 100 30.932 -14.985 11.883 1.00 0.00 H new ATOM 0 HB3 LEU S 100 31.443 -16.485 12.633 1.00 0.00 H new ATOM 0 HG LEU S 100 31.007 -15.268 14.915 1.00 0.00 H new ATOM 0 HD11 LEU S 100 29.307 -13.475 14.793 1.00 0.00 H new ATOM 0 HD12 LEU S 100 30.805 -12.991 13.961 1.00 0.00 H new ATOM 0 HD13 LEU S 100 29.390 -13.512 13.015 1.00 0.00 H new ATOM 0 HD21 LEU S 100 28.603 -15.872 14.783 1.00 0.00 H new ATOM 0 HD22 LEU S 100 28.711 -15.905 13.007 1.00 0.00 H new ATOM 0 HD23 LEU S 100 29.611 -17.096 13.976 1.00 0.00 H new ATOM 3265 N GLU S 101 33.854 -16.946 13.191 1.00 0.00 N ATOM 3266 CA GLU S 101 34.687 -17.969 13.888 1.00 0.00 C ATOM 3267 C GLU S 101 35.962 -17.360 14.473 1.00 0.00 C ATOM 3268 O GLU S 101 36.497 -17.860 15.441 1.00 0.00 O ATOM 3269 CB GLU S 101 35.066 -19.068 12.888 1.00 0.00 C ATOM 3270 CG GLU S 101 34.626 -20.419 13.451 1.00 0.00 C ATOM 3271 CD GLU S 101 35.116 -21.533 12.526 1.00 0.00 C ATOM 3272 OE1 GLU S 101 34.451 -21.734 11.523 1.00 0.00 O ATOM 3273 OE2 GLU S 101 36.128 -22.118 12.873 1.00 0.00 O ATOM 0 H GLU S 101 33.542 -17.191 12.251 1.00 0.00 H new ATOM 0 HA GLU S 101 34.103 -18.379 14.712 1.00 0.00 H new ATOM 0 HB2 GLU S 101 34.586 -18.885 11.927 1.00 0.00 H new ATOM 0 HB3 GLU S 101 36.142 -19.064 12.713 1.00 0.00 H new ATOM 0 HG2 GLU S 101 35.031 -20.558 14.453 1.00 0.00 H new ATOM 0 HG3 GLU S 101 33.540 -20.454 13.538 1.00 0.00 H new ATOM 3280 N GLU S 102 36.424 -16.293 13.885 1.00 0.00 N ATOM 3281 CA GLU S 102 37.662 -15.658 14.410 1.00 0.00 C ATOM 3282 C GLU S 102 37.371 -14.719 15.586 1.00 0.00 C ATOM 3283 O GLU S 102 38.214 -14.529 16.442 1.00 0.00 O ATOM 3284 CB GLU S 102 38.310 -14.843 13.281 1.00 0.00 C ATOM 3285 CG GLU S 102 38.627 -15.773 12.107 1.00 0.00 C ATOM 3286 CD GLU S 102 39.568 -15.060 11.132 1.00 0.00 C ATOM 3287 OE1 GLU S 102 39.664 -13.850 11.257 1.00 0.00 O ATOM 3288 OE2 GLU S 102 40.138 -15.766 10.316 1.00 0.00 O ATOM 0 H GLU S 102 36.004 -15.838 13.074 1.00 0.00 H new ATOM 0 HA GLU S 102 38.324 -16.448 14.764 1.00 0.00 H new ATOM 0 HB2 GLU S 102 37.638 -14.047 12.959 1.00 0.00 H new ATOM 0 HB3 GLU S 102 39.222 -14.365 13.639 1.00 0.00 H new ATOM 0 HG2 GLU S 102 39.090 -16.691 12.470 1.00 0.00 H new ATOM 0 HG3 GLU S 102 37.707 -16.060 11.598 1.00 0.00 H new ATOM 3295 N VAL S 103 36.191 -14.152 15.617 1.00 0.00 N ATOM 3296 CA VAL S 103 35.862 -13.227 16.745 1.00 0.00 C ATOM 3297 C VAL S 103 35.196 -13.951 17.917 1.00 0.00 C ATOM 3298 O VAL S 103 35.433 -13.622 19.062 1.00 0.00 O ATOM 3299 CB VAL S 103 34.909 -12.132 16.220 1.00 0.00 C ATOM 3300 CG1 VAL S 103 33.449 -12.603 16.295 1.00 0.00 C ATOM 3301 CG2 VAL S 103 35.059 -10.874 17.080 1.00 0.00 C ATOM 0 H VAL S 103 35.454 -14.285 14.925 1.00 0.00 H new ATOM 0 HA VAL S 103 36.794 -12.799 17.113 1.00 0.00 H new ATOM 0 HB VAL S 103 35.166 -11.920 15.182 1.00 0.00 H new ATOM 0 HG11 VAL S 103 32.793 -11.817 15.920 1.00 0.00 H new ATOM 0 HG12 VAL S 103 33.324 -13.500 15.688 1.00 0.00 H new ATOM 0 HG13 VAL S 103 33.192 -12.827 17.330 1.00 0.00 H new ATOM 0 HG21 VAL S 103 34.387 -10.099 16.711 1.00 0.00 H new ATOM 0 HG22 VAL S 103 34.809 -11.109 18.115 1.00 0.00 H new ATOM 0 HG23 VAL S 103 36.088 -10.518 17.027 1.00 0.00 H new ATOM 3311 N LEU S 104 34.381 -14.926 17.621 1.00 0.00 N ATOM 3312 CA LEU S 104 33.704 -15.660 18.722 1.00 0.00 C ATOM 3313 C LEU S 104 34.591 -16.766 19.295 1.00 0.00 C ATOM 3314 O LEU S 104 34.760 -16.867 20.493 1.00 0.00 O ATOM 3315 CB LEU S 104 32.426 -16.305 18.153 1.00 0.00 C ATOM 3316 CG LEU S 104 31.182 -15.926 18.983 1.00 0.00 C ATOM 3317 CD1 LEU S 104 31.453 -16.122 20.483 1.00 0.00 C ATOM 3318 CD2 LEU S 104 30.796 -14.467 18.703 1.00 0.00 C ATOM 0 H LEU S 104 34.158 -15.242 16.677 1.00 0.00 H new ATOM 0 HA LEU S 104 33.480 -14.955 19.522 1.00 0.00 H new ATOM 0 HB2 LEU S 104 32.286 -15.987 17.120 1.00 0.00 H new ATOM 0 HB3 LEU S 104 32.539 -17.389 18.140 1.00 0.00 H new ATOM 0 HG LEU S 104 30.357 -16.577 18.695 1.00 0.00 H new ATOM 0 HD11 LEU S 104 30.564 -15.850 21.052 1.00 0.00 H new ATOM 0 HD12 LEU S 104 31.701 -17.166 20.675 1.00 0.00 H new ATOM 0 HD13 LEU S 104 32.287 -15.490 20.788 1.00 0.00 H new ATOM 0 HD21 LEU S 104 29.917 -14.204 19.291 1.00 0.00 H new ATOM 0 HD22 LEU S 104 31.624 -13.813 18.976 1.00 0.00 H new ATOM 0 HD23 LEU S 104 30.572 -14.347 17.643 1.00 0.00 H new ATOM 3330 N LEU S 105 35.137 -17.579 18.430 1.00 0.00 N ATOM 3331 CA LEU S 105 36.012 -18.680 18.919 1.00 0.00 C ATOM 3332 C LEU S 105 37.357 -18.145 19.409 1.00 0.00 C ATOM 3333 O LEU S 105 38.245 -18.905 19.738 1.00 0.00 O ATOM 3334 CB LEU S 105 36.259 -19.656 17.759 1.00 0.00 C ATOM 3335 CG LEU S 105 36.538 -21.051 18.328 1.00 0.00 C ATOM 3336 CD1 LEU S 105 35.213 -21.770 18.587 1.00 0.00 C ATOM 3337 CD2 LEU S 105 37.350 -21.859 17.314 1.00 0.00 C ATOM 0 H LEU S 105 35.016 -17.529 17.418 1.00 0.00 H new ATOM 0 HA LEU S 105 35.516 -19.177 19.753 1.00 0.00 H new ATOM 0 HB2 LEU S 105 35.391 -19.685 17.101 1.00 0.00 H new ATOM 0 HB3 LEU S 105 37.104 -19.319 17.158 1.00 0.00 H new ATOM 0 HG LEU S 105 37.096 -20.956 19.260 1.00 0.00 H new ATOM 0 HD11 LEU S 105 35.411 -22.763 18.992 1.00 0.00 H new ATOM 0 HD12 LEU S 105 34.622 -21.198 19.302 1.00 0.00 H new ATOM 0 HD13 LEU S 105 34.661 -21.863 17.652 1.00 0.00 H new ATOM 0 HD21 LEU S 105 37.550 -22.852 17.716 1.00 0.00 H new ATOM 0 HD22 LEU S 105 36.786 -21.950 16.386 1.00 0.00 H new ATOM 0 HD23 LEU S 105 38.294 -21.351 17.116 1.00 0.00 H new