USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 1002 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : R 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : R 17 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : R 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : R 28 ASN : amide:sc= -2.03! K(o=-2!,f=-0.022) USER MOD Single : R 30 TYR OH : rot 180:sc= -0.556 USER MOD Single : R 31 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.12) USER MOD Single : R 32 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.014) USER MOD Single : R 35 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-3.3!) USER MOD Single : R 40 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.43) USER MOD Single : R 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : R 44 THR OG1 : rot -119:sc= -0.909 USER MOD Single : R 53 THR OG1 : rot 180:sc= 0.0331 USER MOD Single : R 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : S 17 GLN : amide:sc= -0.0493 K(o=-0.049,f=-1.4!) USER MOD Single : S 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 28 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.85) USER MOD Single : S 30 TYR OH : rot 90:sc= -4.68! USER MOD Single : S 31 GLN : amide:sc= -0.049 X(o=-0.049,f=0) USER MOD Single : S 32 ASN : amide:sc= -1 K(o=-1,f=-0.011) USER MOD Single : S 35 HIS : no HD1:sc= -7.33! C(o=-7.3!,f=-9.5!) USER MOD Single : S 40 ASN : amide:sc= -3.67! K(o=-3.7!,f=-0.77) USER MOD Single : S 42 MET CE :methyl -175:sc= -0.18 (180deg=-0.29) USER MOD Single : S 44 THR OG1 : rot 180:sc= -0.407 USER MOD Single : S 53 THR OG1 : rot 101:sc= 0.742 USER MOD Single : S 98 GLN : amide:sc= -1.22! K(o=-1.2!,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 180 N HIS R 16 23.460 -1.544 28.961 1.00 0.00 N ATOM 181 CA HIS R 16 24.684 -1.227 28.179 1.00 0.00 C ATOM 182 C HIS R 16 25.678 -2.386 28.226 1.00 0.00 C ATOM 183 O HIS R 16 26.864 -2.180 28.392 1.00 0.00 O ATOM 184 CB HIS R 16 25.352 0.006 28.800 1.00 0.00 C ATOM 185 CG HIS R 16 24.419 1.209 28.669 1.00 0.00 C ATOM 186 ND1 HIS R 16 23.855 1.801 29.636 1.00 0.00 N ATOM 187 CD2 HIS R 16 24.012 1.897 27.542 1.00 0.00 C ATOM 188 CE1 HIS R 16 23.145 2.780 29.214 1.00 0.00 C ATOM 189 NE2 HIS R 16 23.197 2.903 27.897 1.00 0.00 N ATOM 0 HA HIS R 16 24.401 -1.046 27.142 1.00 0.00 H new ATOM 0 HB2 HIS R 16 25.579 -0.180 29.850 1.00 0.00 H new ATOM 0 HB3 HIS R 16 26.299 0.210 28.301 1.00 0.00 H new ATOM 0 HD2 HIS R 16 24.305 1.661 26.530 1.00 0.00 H new ATOM 0 HE1 HIS R 16 22.571 3.430 29.858 1.00 0.00 H new ATOM 0 HE2 HIS R 16 22.734 3.590 27.301 1.00 0.00 H new ATOM 197 N GLN R 17 25.179 -3.583 28.076 1.00 0.00 N ATOM 198 CA GLN R 17 26.085 -4.764 28.110 1.00 0.00 C ATOM 199 C GLN R 17 26.477 -5.170 26.694 1.00 0.00 C ATOM 200 O GLN R 17 27.473 -5.835 26.489 1.00 0.00 O ATOM 201 CB GLN R 17 25.338 -5.932 28.770 1.00 0.00 C ATOM 202 CG GLN R 17 24.495 -5.404 29.933 1.00 0.00 C ATOM 203 CD GLN R 17 23.859 -6.585 30.668 1.00 0.00 C ATOM 204 OE1 GLN R 17 23.626 -7.632 30.099 1.00 0.00 O ATOM 205 NE2 GLN R 17 23.556 -6.458 31.932 1.00 0.00 N ATOM 0 H GLN R 17 24.191 -3.792 27.933 1.00 0.00 H new ATOM 0 HA GLN R 17 26.985 -4.513 28.671 1.00 0.00 H new ATOM 0 HB2 GLN R 17 24.699 -6.429 28.040 1.00 0.00 H new ATOM 0 HB3 GLN R 17 26.049 -6.676 29.130 1.00 0.00 H new ATOM 0 HG2 GLN R 17 25.118 -4.827 30.617 1.00 0.00 H new ATOM 0 HG3 GLN R 17 23.721 -4.732 29.562 1.00 0.00 H new ATOM 0 HE21 GLN R 17 23.749 -5.582 32.417 1.00 0.00 H new ATOM 0 HE22 GLN R 17 23.127 -7.235 32.434 1.00 0.00 H new ATOM 214 N GLU R 18 25.678 -4.755 25.748 1.00 0.00 N ATOM 215 CA GLU R 18 25.963 -5.093 24.329 1.00 0.00 C ATOM 216 C GLU R 18 26.336 -3.840 23.546 1.00 0.00 C ATOM 217 O GLU R 18 27.124 -3.889 22.622 1.00 0.00 O ATOM 218 CB GLU R 18 24.688 -5.686 23.719 1.00 0.00 C ATOM 219 CG GLU R 18 23.473 -4.967 24.307 1.00 0.00 C ATOM 220 CD GLU R 18 23.107 -5.605 25.650 1.00 0.00 C ATOM 221 OE1 GLU R 18 22.951 -6.815 25.650 1.00 0.00 O ATOM 222 OE2 GLU R 18 23.005 -4.845 26.599 1.00 0.00 O ATOM 0 H GLU R 18 24.839 -4.195 25.900 1.00 0.00 H new ATOM 0 HA GLU R 18 26.792 -5.799 24.283 1.00 0.00 H new ATOM 0 HB2 GLU R 18 24.703 -5.575 22.635 1.00 0.00 H new ATOM 0 HB3 GLU R 18 24.632 -6.754 23.929 1.00 0.00 H new ATOM 0 HG2 GLU R 18 23.693 -3.908 24.443 1.00 0.00 H new ATOM 0 HG3 GLU R 18 22.630 -5.032 23.619 1.00 0.00 H new ATOM 229 N TRP R 19 25.759 -2.740 23.935 1.00 0.00 N ATOM 230 CA TRP R 19 26.060 -1.467 23.231 1.00 0.00 C ATOM 231 C TRP R 19 27.568 -1.270 23.059 1.00 0.00 C ATOM 232 O TRP R 19 27.997 -0.544 22.186 1.00 0.00 O ATOM 233 CB TRP R 19 25.493 -0.315 24.064 1.00 0.00 C ATOM 234 CG TRP R 19 25.806 1.002 23.363 1.00 0.00 C ATOM 235 CD1 TRP R 19 26.857 1.792 23.648 1.00 0.00 C ATOM 236 CD2 TRP R 19 25.093 1.528 22.364 1.00 0.00 C ATOM 237 NE1 TRP R 19 26.741 2.795 22.785 1.00 0.00 N ATOM 238 CE2 TRP R 19 25.677 2.714 21.953 1.00 0.00 C ATOM 239 CE3 TRP R 19 23.931 1.089 21.742 1.00 0.00 C ATOM 240 CZ2 TRP R 19 25.120 3.451 20.939 1.00 0.00 C ATOM 241 CZ3 TRP R 19 23.372 1.836 20.725 1.00 0.00 C ATOM 242 CH2 TRP R 19 23.968 3.016 20.324 1.00 0.00 C ATOM 0 H TRP R 19 25.095 -2.668 24.706 1.00 0.00 H new ATOM 0 HA TRP R 19 25.609 -1.494 22.239 1.00 0.00 H new ATOM 0 HB2 TRP R 19 24.416 -0.431 24.184 1.00 0.00 H new ATOM 0 HB3 TRP R 19 25.928 -0.323 25.063 1.00 0.00 H new ATOM 0 HD1 TRP R 19 27.617 1.645 24.402 1.00 0.00 H new ATOM 0 HE1 TRP R 19 27.405 3.569 22.752 1.00 0.00 H new ATOM 0 HE3 TRP R 19 23.466 0.165 22.054 1.00 0.00 H new ATOM 0 HZ2 TRP R 19 25.586 4.373 20.623 1.00 0.00 H new ATOM 0 HZ3 TRP R 19 22.467 1.498 20.242 1.00 0.00 H new ATOM 0 HH2 TRP R 19 23.529 3.598 19.527 1.00 0.00 H new ATOM 253 N LEU R 20 28.340 -1.912 23.901 1.00 0.00 N ATOM 254 CA LEU R 20 29.824 -1.772 23.800 1.00 0.00 C ATOM 255 C LEU R 20 30.471 -3.081 23.344 1.00 0.00 C ATOM 256 O LEU R 20 31.054 -3.162 22.282 1.00 0.00 O ATOM 257 CB LEU R 20 30.390 -1.430 25.190 1.00 0.00 C ATOM 258 CG LEU R 20 29.740 -0.151 25.728 1.00 0.00 C ATOM 259 CD1 LEU R 20 29.818 -0.155 27.256 1.00 0.00 C ATOM 260 CD2 LEU R 20 30.495 1.071 25.196 1.00 0.00 C ATOM 0 H LEU R 20 28.009 -2.522 24.648 1.00 0.00 H new ATOM 0 HA LEU R 20 30.042 -0.988 23.075 1.00 0.00 H new ATOM 0 HB2 LEU R 20 30.208 -2.256 25.878 1.00 0.00 H new ATOM 0 HB3 LEU R 20 31.470 -1.299 25.128 1.00 0.00 H new ATOM 0 HG LEU R 20 28.700 -0.108 25.405 1.00 0.00 H new ATOM 0 HD11 LEU R 20 29.357 0.752 27.646 1.00 0.00 H new ATOM 0 HD12 LEU R 20 29.290 -1.026 27.645 1.00 0.00 H new ATOM 0 HD13 LEU R 20 30.862 -0.194 27.567 1.00 0.00 H new ATOM 0 HD21 LEU R 20 30.032 1.980 25.579 1.00 0.00 H new ATOM 0 HD22 LEU R 20 31.534 1.027 25.523 1.00 0.00 H new ATOM 0 HD23 LEU R 20 30.457 1.076 24.107 1.00 0.00 H new ATOM 272 N ARG R 21 30.341 -4.077 24.172 1.00 0.00 N ATOM 273 CA ARG R 21 30.922 -5.412 23.859 1.00 0.00 C ATOM 274 C ARG R 21 30.749 -5.831 22.395 1.00 0.00 C ATOM 275 O ARG R 21 31.681 -6.317 21.783 1.00 0.00 O ATOM 276 CB ARG R 21 30.206 -6.442 24.738 1.00 0.00 C ATOM 277 CG ARG R 21 30.917 -6.538 26.090 1.00 0.00 C ATOM 278 CD ARG R 21 29.984 -7.199 27.110 1.00 0.00 C ATOM 279 NE ARG R 21 30.753 -8.212 27.885 1.00 0.00 N ATOM 280 CZ ARG R 21 30.111 -9.053 28.648 1.00 0.00 C ATOM 281 NH1 ARG R 21 29.655 -10.159 28.126 1.00 0.00 N ATOM 282 NH2 ARG R 21 29.945 -8.759 29.909 1.00 0.00 N ATOM 0 H ARG R 21 29.850 -4.023 25.065 1.00 0.00 H new ATOM 0 HA ARG R 21 31.994 -5.357 24.048 1.00 0.00 H new ATOM 0 HB2 ARG R 21 29.165 -6.153 24.882 1.00 0.00 H new ATOM 0 HB3 ARG R 21 30.202 -7.415 24.247 1.00 0.00 H new ATOM 0 HG2 ARG R 21 31.834 -7.118 25.990 1.00 0.00 H new ATOM 0 HG3 ARG R 21 31.204 -5.544 26.434 1.00 0.00 H new ATOM 0 HD2 ARG R 21 29.568 -6.448 27.781 1.00 0.00 H new ATOM 0 HD3 ARG R 21 29.144 -7.672 26.601 1.00 0.00 H new ATOM 0 HE ARG R 21 31.770 -8.248 27.820 1.00 0.00 H new ATOM 0 HH11 ARG R 21 29.803 -10.355 27.136 1.00 0.00 H new ATOM 0 HH12 ARG R 21 29.151 -10.828 28.708 1.00 0.00 H new ATOM 0 HH21 ARG R 21 30.315 -7.884 30.282 1.00 0.00 H new ATOM 0 HH22 ARG R 21 29.446 -9.404 30.522 1.00 0.00 H new ATOM 296 N PHE R 22 29.577 -5.641 21.853 1.00 0.00 N ATOM 297 CA PHE R 22 29.369 -6.043 20.429 1.00 0.00 C ATOM 298 C PHE R 22 29.653 -4.925 19.433 1.00 0.00 C ATOM 299 O PHE R 22 30.305 -5.140 18.432 1.00 0.00 O ATOM 300 CB PHE R 22 27.915 -6.461 20.249 1.00 0.00 C ATOM 301 CG PHE R 22 27.607 -6.490 18.750 1.00 0.00 C ATOM 302 CD1 PHE R 22 28.016 -7.561 17.975 1.00 0.00 C ATOM 303 CD2 PHE R 22 26.923 -5.448 18.149 1.00 0.00 C ATOM 304 CE1 PHE R 22 27.748 -7.587 16.622 1.00 0.00 C ATOM 305 CE2 PHE R 22 26.655 -5.476 16.796 1.00 0.00 C ATOM 306 CZ PHE R 22 27.067 -6.546 16.033 1.00 0.00 C ATOM 0 H PHE R 22 28.768 -5.233 22.322 1.00 0.00 H new ATOM 0 HA PHE R 22 30.069 -6.854 20.227 1.00 0.00 H new ATOM 0 HB2 PHE R 22 27.744 -7.443 20.691 1.00 0.00 H new ATOM 0 HB3 PHE R 22 27.253 -5.762 20.760 1.00 0.00 H new ATOM 0 HD1 PHE R 22 28.548 -8.382 18.432 1.00 0.00 H new ATOM 0 HD2 PHE R 22 26.597 -4.607 18.743 1.00 0.00 H new ATOM 0 HE1 PHE R 22 28.073 -8.426 16.024 1.00 0.00 H new ATOM 0 HE2 PHE R 22 26.122 -4.658 16.335 1.00 0.00 H new ATOM 0 HZ PHE R 22 26.856 -6.568 14.974 1.00 0.00 H new ATOM 316 N VAL R 23 29.138 -3.761 19.690 1.00 0.00 N ATOM 317 CA VAL R 23 29.396 -2.657 18.737 1.00 0.00 C ATOM 318 C VAL R 23 30.899 -2.543 18.475 1.00 0.00 C ATOM 319 O VAL R 23 31.328 -1.933 17.515 1.00 0.00 O ATOM 320 CB VAL R 23 28.847 -1.358 19.344 1.00 0.00 C ATOM 321 CG1 VAL R 23 28.814 -0.262 18.275 1.00 0.00 C ATOM 322 CG2 VAL R 23 27.416 -1.618 19.821 1.00 0.00 C ATOM 0 H VAL R 23 28.562 -3.529 20.500 1.00 0.00 H new ATOM 0 HA VAL R 23 28.901 -2.849 17.785 1.00 0.00 H new ATOM 0 HB VAL R 23 29.481 -1.040 20.172 1.00 0.00 H new ATOM 0 HG11 VAL R 23 28.424 0.658 18.709 1.00 0.00 H new ATOM 0 HG12 VAL R 23 29.823 -0.088 17.901 1.00 0.00 H new ATOM 0 HG13 VAL R 23 28.172 -0.576 17.452 1.00 0.00 H new ATOM 0 HG21 VAL R 23 27.006 -0.707 20.256 1.00 0.00 H new ATOM 0 HG22 VAL R 23 26.801 -1.925 18.975 1.00 0.00 H new ATOM 0 HG23 VAL R 23 27.421 -2.408 20.572 1.00 0.00 H new ATOM 332 N ASP R 24 31.674 -3.161 19.329 1.00 0.00 N ATOM 333 CA ASP R 24 33.149 -3.108 19.149 1.00 0.00 C ATOM 334 C ASP R 24 33.603 -4.201 18.186 1.00 0.00 C ATOM 335 O ASP R 24 34.661 -4.118 17.601 1.00 0.00 O ATOM 336 CB ASP R 24 33.817 -3.329 20.507 1.00 0.00 C ATOM 337 CG ASP R 24 34.303 -1.983 21.044 1.00 0.00 C ATOM 338 OD1 ASP R 24 35.321 -1.537 20.541 1.00 0.00 O ATOM 339 OD2 ASP R 24 33.626 -1.475 21.919 1.00 0.00 O ATOM 0 H ASP R 24 31.350 -3.695 20.135 1.00 0.00 H new ATOM 0 HA ASP R 24 33.428 -2.137 18.740 1.00 0.00 H new ATOM 0 HB2 ASP R 24 33.112 -3.781 21.205 1.00 0.00 H new ATOM 0 HB3 ASP R 24 34.654 -4.020 20.407 1.00 0.00 H new ATOM 344 N LEU R 25 32.807 -5.224 18.074 1.00 0.00 N ATOM 345 CA LEU R 25 33.165 -6.333 17.156 1.00 0.00 C ATOM 346 C LEU R 25 32.743 -5.968 15.733 1.00 0.00 C ATOM 347 O LEU R 25 33.228 -6.520 14.763 1.00 0.00 O ATOM 348 CB LEU R 25 32.401 -7.587 17.599 1.00 0.00 C ATOM 349 CG LEU R 25 32.751 -7.901 19.059 1.00 0.00 C ATOM 350 CD1 LEU R 25 31.954 -9.124 19.515 1.00 0.00 C ATOM 351 CD2 LEU R 25 34.245 -8.209 19.176 1.00 0.00 C ATOM 0 H LEU R 25 31.927 -5.339 18.577 1.00 0.00 H new ATOM 0 HA LEU R 25 34.240 -6.512 17.181 1.00 0.00 H new ATOM 0 HB2 LEU R 25 31.327 -7.429 17.496 1.00 0.00 H new ATOM 0 HB3 LEU R 25 32.662 -8.431 16.960 1.00 0.00 H new ATOM 0 HG LEU R 25 32.506 -7.041 19.682 1.00 0.00 H new ATOM 0 HD11 LEU R 25 32.199 -9.352 20.552 1.00 0.00 H new ATOM 0 HD12 LEU R 25 30.887 -8.915 19.431 1.00 0.00 H new ATOM 0 HD13 LEU R 25 32.207 -9.978 18.887 1.00 0.00 H new ATOM 0 HD21 LEU R 25 34.490 -8.432 20.214 1.00 0.00 H new ATOM 0 HD22 LEU R 25 34.489 -9.069 18.553 1.00 0.00 H new ATOM 0 HD23 LEU R 25 34.822 -7.346 18.844 1.00 0.00 H new ATOM 363 N LEU R 26 31.839 -5.029 15.639 1.00 0.00 N ATOM 364 CA LEU R 26 31.362 -4.603 14.296 1.00 0.00 C ATOM 365 C LEU R 26 32.501 -3.952 13.503 1.00 0.00 C ATOM 366 O LEU R 26 32.641 -4.191 12.315 1.00 0.00 O ATOM 367 CB LEU R 26 30.164 -3.640 14.503 1.00 0.00 C ATOM 368 CG LEU R 26 30.446 -2.216 13.985 1.00 0.00 C ATOM 369 CD1 LEU R 26 30.557 -2.219 12.455 1.00 0.00 C ATOM 370 CD2 LEU R 26 29.275 -1.312 14.396 1.00 0.00 C ATOM 0 H LEU R 26 31.414 -4.543 16.429 1.00 0.00 H new ATOM 0 HA LEU R 26 31.033 -5.461 13.710 1.00 0.00 H new ATOM 0 HB2 LEU R 26 29.289 -4.041 13.992 1.00 0.00 H new ATOM 0 HB3 LEU R 26 29.920 -3.594 15.564 1.00 0.00 H new ATOM 0 HG LEU R 26 31.383 -1.854 14.408 1.00 0.00 H new ATOM 0 HD11 LEU R 26 30.756 -1.207 12.103 1.00 0.00 H new ATOM 0 HD12 LEU R 26 31.372 -2.876 12.151 1.00 0.00 H new ATOM 0 HD13 LEU R 26 29.622 -2.576 12.023 1.00 0.00 H new ATOM 0 HD21 LEU R 26 29.455 -0.298 14.039 1.00 0.00 H new ATOM 0 HD22 LEU R 26 28.351 -1.692 13.959 1.00 0.00 H new ATOM 0 HD23 LEU R 26 29.186 -1.303 15.482 1.00 0.00 H new ATOM 382 N LYS R 27 33.310 -3.154 14.156 1.00 0.00 N ATOM 383 CA LYS R 27 34.421 -2.516 13.402 1.00 0.00 C ATOM 384 C LYS R 27 35.518 -3.543 13.133 1.00 0.00 C ATOM 385 O LYS R 27 36.295 -3.392 12.211 1.00 0.00 O ATOM 386 CB LYS R 27 35.010 -1.333 14.194 1.00 0.00 C ATOM 387 CG LYS R 27 35.124 -1.690 15.673 1.00 0.00 C ATOM 388 CD LYS R 27 36.501 -1.260 16.186 1.00 0.00 C ATOM 389 CE LYS R 27 36.509 -1.291 17.716 1.00 0.00 C ATOM 390 NZ LYS R 27 37.873 -1.624 18.215 1.00 0.00 N ATOM 0 H LYS R 27 33.250 -2.924 15.148 1.00 0.00 H new ATOM 0 HA LYS R 27 34.026 -2.143 12.457 1.00 0.00 H new ATOM 0 HB2 LYS R 27 35.992 -1.075 13.798 1.00 0.00 H new ATOM 0 HB3 LYS R 27 34.377 -0.454 14.073 1.00 0.00 H new ATOM 0 HG2 LYS R 27 34.338 -1.193 16.242 1.00 0.00 H new ATOM 0 HG3 LYS R 27 34.988 -2.762 15.813 1.00 0.00 H new ATOM 0 HD2 LYS R 27 37.271 -1.925 15.794 1.00 0.00 H new ATOM 0 HD3 LYS R 27 36.736 -0.257 15.831 1.00 0.00 H new ATOM 0 HE2 LYS R 27 36.196 -0.324 18.109 1.00 0.00 H new ATOM 0 HE3 LYS R 27 35.792 -2.028 18.076 1.00 0.00 H new ATOM 0 HZ1 LYS R 27 37.867 -1.642 19.255 1.00 0.00 H new ATOM 0 HZ2 LYS R 27 38.157 -2.557 17.854 1.00 0.00 H new ATOM 0 HZ3 LYS R 27 38.548 -0.905 17.885 1.00 0.00 H new ATOM 404 N ASN R 28 35.563 -4.573 13.939 1.00 0.00 N ATOM 405 CA ASN R 28 36.606 -5.604 13.724 1.00 0.00 C ATOM 406 C ASN R 28 36.381 -6.264 12.363 1.00 0.00 C ATOM 407 O ASN R 28 37.312 -6.484 11.620 1.00 0.00 O ATOM 408 CB ASN R 28 36.525 -6.638 14.856 1.00 0.00 C ATOM 409 CG ASN R 28 37.178 -6.057 16.110 1.00 0.00 C ATOM 410 OD1 ASN R 28 37.410 -6.750 17.081 1.00 0.00 O ATOM 411 ND2 ASN R 28 37.488 -4.789 16.133 1.00 0.00 N ATOM 0 H ASN R 28 34.931 -4.738 14.723 1.00 0.00 H new ATOM 0 HA ASN R 28 37.599 -5.154 13.732 1.00 0.00 H new ATOM 0 HB2 ASN R 28 35.485 -6.894 15.058 1.00 0.00 H new ATOM 0 HB3 ASN R 28 37.029 -7.559 14.561 1.00 0.00 H new ATOM 0 HD21 ASN R 28 37.922 -4.385 16.963 1.00 0.00 H new ATOM 0 HD22 ASN R 28 37.296 -4.202 15.321 1.00 0.00 H new ATOM 418 N ALA R 29 35.149 -6.595 12.066 1.00 0.00 N ATOM 419 CA ALA R 29 34.876 -7.233 10.745 1.00 0.00 C ATOM 420 C ALA R 29 35.202 -6.240 9.661 1.00 0.00 C ATOM 421 O ALA R 29 36.010 -6.494 8.792 1.00 0.00 O ATOM 422 CB ALA R 29 33.381 -7.563 10.644 1.00 0.00 C ATOM 0 H ALA R 29 34.337 -6.455 12.667 1.00 0.00 H new ATOM 0 HA ALA R 29 35.473 -8.139 10.642 1.00 0.00 H new ATOM 0 HB1 ALA R 29 33.176 -8.029 9.681 1.00 0.00 H new ATOM 0 HB2 ALA R 29 33.105 -8.248 11.445 1.00 0.00 H new ATOM 0 HB3 ALA R 29 32.799 -6.646 10.734 1.00 0.00 H new ATOM 428 N TYR R 30 34.583 -5.110 9.752 1.00 0.00 N ATOM 429 CA TYR R 30 34.839 -4.077 8.732 1.00 0.00 C ATOM 430 C TYR R 30 36.313 -3.990 8.434 1.00 0.00 C ATOM 431 O TYR R 30 36.716 -4.331 7.321 1.00 0.00 O ATOM 432 CB TYR R 30 34.435 -2.703 9.298 1.00 0.00 C ATOM 433 CG TYR R 30 32.923 -2.458 9.208 1.00 0.00 C ATOM 434 CD1 TYR R 30 32.007 -3.432 9.564 1.00 0.00 C ATOM 435 CD2 TYR R 30 32.455 -1.236 8.769 1.00 0.00 C ATOM 436 CE1 TYR R 30 30.651 -3.181 9.481 1.00 0.00 C ATOM 437 CE2 TYR R 30 31.103 -0.988 8.687 1.00 0.00 C ATOM 438 CZ TYR R 30 30.189 -1.959 9.040 1.00 0.00 C ATOM 439 OH TYR R 30 28.833 -1.711 8.954 1.00 0.00 O ATOM 0 H TYR R 30 33.916 -4.858 10.482 1.00 0.00 H new ATOM 0 HA TYR R 30 34.275 -4.336 7.836 1.00 0.00 H new ATOM 0 HB2 TYR R 30 34.751 -2.634 10.339 1.00 0.00 H new ATOM 0 HB3 TYR R 30 34.961 -1.919 8.753 1.00 0.00 H new ATOM 0 HD1 TYR R 30 32.354 -4.395 9.909 1.00 0.00 H new ATOM 0 HD2 TYR R 30 33.157 -0.466 8.487 1.00 0.00 H new ATOM 0 HE1 TYR R 30 29.946 -3.949 9.764 1.00 0.00 H new ATOM 0 HE2 TYR R 30 30.755 -0.025 8.343 1.00 0.00 H new ATOM 0 HH TYR R 30 28.687 -0.799 8.626 1.00 0.00 H new ATOM 449 N GLN R 31 37.048 -3.810 9.533 1.00 0.00 N ATOM 450 CA GLN R 31 38.534 -3.672 9.514 1.00 0.00 C ATOM 451 C GLN R 31 39.082 -3.896 8.143 1.00 0.00 C ATOM 452 O GLN R 31 39.675 -2.996 7.578 1.00 0.00 O ATOM 453 CB GLN R 31 39.121 -4.728 10.456 1.00 0.00 C ATOM 454 CG GLN R 31 40.640 -4.562 10.526 1.00 0.00 C ATOM 455 CD GLN R 31 41.120 -4.999 11.908 1.00 0.00 C ATOM 456 OE1 GLN R 31 41.997 -5.828 12.041 1.00 0.00 O ATOM 457 NE2 GLN R 31 40.573 -4.463 12.965 1.00 0.00 N ATOM 0 H GLN R 31 36.645 -3.754 10.468 1.00 0.00 H new ATOM 0 HA GLN R 31 38.800 -2.663 9.829 1.00 0.00 H new ATOM 0 HB2 GLN R 31 38.687 -4.625 11.451 1.00 0.00 H new ATOM 0 HB3 GLN R 31 38.870 -5.727 10.101 1.00 0.00 H new ATOM 0 HG2 GLN R 31 41.121 -5.161 9.753 1.00 0.00 H new ATOM 0 HG3 GLN R 31 40.915 -3.523 10.342 1.00 0.00 H new ATOM 0 HE21 GLN R 31 39.836 -3.766 12.860 1.00 0.00 H new ATOM 0 HE22 GLN R 31 40.883 -4.741 13.896 1.00 0.00 H new ATOM 466 N ASN R 32 38.882 -5.053 7.620 1.00 0.00 N ATOM 467 CA ASN R 32 39.411 -5.277 6.269 1.00 0.00 C ATOM 468 C ASN R 32 38.247 -5.192 5.273 1.00 0.00 C ATOM 469 O ASN R 32 37.919 -4.121 4.801 1.00 0.00 O ATOM 470 CB ASN R 32 40.071 -6.679 6.262 1.00 0.00 C ATOM 471 CG ASN R 32 41.267 -6.672 5.309 1.00 0.00 C ATOM 472 OD1 ASN R 32 41.327 -7.432 4.364 1.00 0.00 O ATOM 473 ND2 ASN R 32 42.242 -5.832 5.524 1.00 0.00 N ATOM 0 H ASN R 32 38.390 -5.835 8.053 1.00 0.00 H new ATOM 0 HA ASN R 32 40.153 -4.531 5.984 1.00 0.00 H new ATOM 0 HB2 ASN R 32 40.395 -6.946 7.268 1.00 0.00 H new ATOM 0 HB3 ASN R 32 39.348 -7.432 5.950 1.00 0.00 H new ATOM 0 HD21 ASN R 32 43.049 -5.816 4.900 1.00 0.00 H new ATOM 0 HD22 ASN R 32 42.198 -5.191 6.316 1.00 0.00 H new ATOM 480 N ASP R 33 37.656 -6.303 4.980 1.00 0.00 N ATOM 481 CA ASP R 33 36.521 -6.339 4.038 1.00 0.00 C ATOM 482 C ASP R 33 35.380 -7.160 4.613 1.00 0.00 C ATOM 483 O ASP R 33 34.488 -7.533 3.877 1.00 0.00 O ATOM 484 CB ASP R 33 36.990 -7.021 2.761 1.00 0.00 C ATOM 485 CG ASP R 33 38.145 -6.228 2.143 1.00 0.00 C ATOM 486 OD1 ASP R 33 37.880 -5.101 1.753 1.00 0.00 O ATOM 487 OD2 ASP R 33 39.225 -6.793 2.093 1.00 0.00 O ATOM 0 H ASP R 33 37.919 -7.211 5.364 1.00 0.00 H new ATOM 0 HA ASP R 33 36.177 -5.322 3.850 1.00 0.00 H new ATOM 0 HB2 ASP R 33 37.312 -8.039 2.979 1.00 0.00 H new ATOM 0 HB3 ASP R 33 36.165 -7.092 2.052 1.00 0.00 H new ATOM 492 N LEU R 34 35.394 -7.440 5.900 1.00 0.00 N ATOM 493 CA LEU R 34 34.267 -8.280 6.415 1.00 0.00 C ATOM 494 C LEU R 34 33.020 -7.536 6.829 1.00 0.00 C ATOM 495 O LEU R 34 32.121 -8.113 7.410 1.00 0.00 O ATOM 496 CB LEU R 34 34.779 -9.144 7.569 1.00 0.00 C ATOM 497 CG LEU R 34 35.693 -10.265 7.017 1.00 0.00 C ATOM 498 CD1 LEU R 34 34.885 -11.243 6.137 1.00 0.00 C ATOM 499 CD2 LEU R 34 36.858 -9.654 6.216 1.00 0.00 C ATOM 0 H LEU R 34 36.094 -7.142 6.579 1.00 0.00 H new ATOM 0 HA LEU R 34 33.943 -8.885 5.568 1.00 0.00 H new ATOM 0 HB2 LEU R 34 35.331 -8.529 8.279 1.00 0.00 H new ATOM 0 HB3 LEU R 34 33.939 -9.580 8.110 1.00 0.00 H new ATOM 0 HG LEU R 34 36.103 -10.824 7.858 1.00 0.00 H new ATOM 0 HD11 LEU R 34 35.546 -12.023 5.759 1.00 0.00 H new ATOM 0 HD12 LEU R 34 34.091 -11.696 6.731 1.00 0.00 H new ATOM 0 HD13 LEU R 34 34.447 -10.701 5.299 1.00 0.00 H new ATOM 0 HD21 LEU R 34 37.494 -10.452 5.833 1.00 0.00 H new ATOM 0 HD22 LEU R 34 36.462 -9.074 5.383 1.00 0.00 H new ATOM 0 HD23 LEU R 34 37.444 -9.003 6.865 1.00 0.00 H new ATOM 511 N HIS R 35 32.965 -6.293 6.541 1.00 0.00 N ATOM 512 CA HIS R 35 31.741 -5.554 6.932 1.00 0.00 C ATOM 513 C HIS R 35 30.504 -6.209 6.306 1.00 0.00 C ATOM 514 O HIS R 35 29.557 -6.542 6.987 1.00 0.00 O ATOM 515 CB HIS R 35 31.802 -4.123 6.383 1.00 0.00 C ATOM 516 CG HIS R 35 32.307 -4.133 4.943 1.00 0.00 C ATOM 517 ND1 HIS R 35 33.527 -4.128 4.598 1.00 0.00 N ATOM 518 CD2 HIS R 35 31.601 -4.092 3.758 1.00 0.00 C ATOM 519 CE1 HIS R 35 33.634 -4.083 3.324 1.00 0.00 C ATOM 520 NE2 HIS R 35 32.456 -4.061 2.722 1.00 0.00 N ATOM 0 H HIS R 35 33.688 -5.754 6.064 1.00 0.00 H new ATOM 0 HA HIS R 35 31.679 -5.562 8.020 1.00 0.00 H new ATOM 0 HB2 HIS R 35 30.813 -3.666 6.426 1.00 0.00 H new ATOM 0 HB3 HIS R 35 32.461 -3.515 7.003 1.00 0.00 H new ATOM 0 HD2 HIS R 35 30.524 -4.086 3.676 1.00 0.00 H new ATOM 0 HE1 HIS R 35 34.578 -4.065 2.800 1.00 0.00 H new ATOM 0 HE2 HIS R 35 32.249 -4.029 1.724 1.00 0.00 H new ATOM 528 N LEU R 36 30.580 -6.423 5.018 1.00 0.00 N ATOM 529 CA LEU R 36 29.442 -7.049 4.268 1.00 0.00 C ATOM 530 C LEU R 36 28.674 -8.166 5.001 1.00 0.00 C ATOM 531 O LEU R 36 27.510 -7.997 5.297 1.00 0.00 O ATOM 532 CB LEU R 36 29.958 -7.595 2.926 1.00 0.00 C ATOM 533 CG LEU R 36 29.598 -6.609 1.800 1.00 0.00 C ATOM 534 CD1 LEU R 36 30.437 -6.931 0.565 1.00 0.00 C ATOM 535 CD2 LEU R 36 28.108 -6.729 1.433 1.00 0.00 C ATOM 0 H LEU R 36 31.390 -6.189 4.444 1.00 0.00 H new ATOM 0 HA LEU R 36 28.718 -6.244 4.143 1.00 0.00 H new ATOM 0 HB2 LEU R 36 31.038 -7.736 2.969 1.00 0.00 H new ATOM 0 HB3 LEU R 36 29.517 -8.571 2.724 1.00 0.00 H new ATOM 0 HG LEU R 36 29.800 -5.595 2.144 1.00 0.00 H new ATOM 0 HD11 LEU R 36 30.187 -6.236 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU R 36 31.495 -6.837 0.809 1.00 0.00 H new ATOM 0 HD13 LEU R 36 30.229 -7.950 0.239 1.00 0.00 H new ATOM 0 HD21 LEU R 36 27.872 -6.025 0.635 1.00 0.00 H new ATOM 0 HD22 LEU R 36 27.897 -7.744 1.095 1.00 0.00 H new ATOM 0 HD23 LEU R 36 27.498 -6.504 2.308 1.00 0.00 H new ATOM 547 N PRO R 37 29.305 -9.289 5.282 1.00 0.00 N ATOM 548 CA PRO R 37 28.615 -10.393 5.977 1.00 0.00 C ATOM 549 C PRO R 37 27.762 -9.905 7.157 1.00 0.00 C ATOM 550 O PRO R 37 26.575 -9.698 6.995 1.00 0.00 O ATOM 551 CB PRO R 37 29.742 -11.338 6.432 1.00 0.00 C ATOM 552 CG PRO R 37 31.084 -10.710 5.962 1.00 0.00 C ATOM 553 CD PRO R 37 30.738 -9.532 5.032 1.00 0.00 C ATOM 0 HA PRO R 37 27.902 -10.893 5.321 1.00 0.00 H new ATOM 0 HB2 PRO R 37 29.731 -11.457 7.515 1.00 0.00 H new ATOM 0 HB3 PRO R 37 29.610 -12.331 6.001 1.00 0.00 H new ATOM 0 HG2 PRO R 37 31.667 -10.367 6.816 1.00 0.00 H new ATOM 0 HG3 PRO R 37 31.691 -11.448 5.438 1.00 0.00 H new ATOM 0 HD2 PRO R 37 31.338 -8.652 5.263 1.00 0.00 H new ATOM 0 HD3 PRO R 37 30.924 -9.780 3.987 1.00 0.00 H new ATOM 561 N LEU R 38 28.349 -9.738 8.317 1.00 0.00 N ATOM 562 CA LEU R 38 27.536 -9.262 9.468 1.00 0.00 C ATOM 563 C LEU R 38 26.641 -8.112 9.046 1.00 0.00 C ATOM 564 O LEU R 38 25.471 -8.077 9.364 1.00 0.00 O ATOM 565 CB LEU R 38 28.481 -8.741 10.559 1.00 0.00 C ATOM 566 CG LEU R 38 28.251 -9.506 11.864 1.00 0.00 C ATOM 567 CD1 LEU R 38 29.131 -8.892 12.955 1.00 0.00 C ATOM 568 CD2 LEU R 38 26.780 -9.390 12.290 1.00 0.00 C ATOM 0 H LEU R 38 29.336 -9.908 8.511 1.00 0.00 H new ATOM 0 HA LEU R 38 26.927 -10.090 9.831 1.00 0.00 H new ATOM 0 HB2 LEU R 38 29.517 -8.856 10.239 1.00 0.00 H new ATOM 0 HB3 LEU R 38 28.313 -7.676 10.718 1.00 0.00 H new ATOM 0 HG LEU R 38 28.501 -10.557 11.716 1.00 0.00 H new ATOM 0 HD11 LEU R 38 28.977 -9.428 13.891 1.00 0.00 H new ATOM 0 HD12 LEU R 38 30.178 -8.966 12.662 1.00 0.00 H new ATOM 0 HD13 LEU R 38 28.865 -7.843 13.089 1.00 0.00 H new ATOM 0 HD21 LEU R 38 26.626 -9.938 13.220 1.00 0.00 H new ATOM 0 HD22 LEU R 38 26.527 -8.341 12.441 1.00 0.00 H new ATOM 0 HD23 LEU R 38 26.142 -9.809 11.512 1.00 0.00 H new ATOM 580 N LEU R 39 27.216 -7.189 8.336 1.00 0.00 N ATOM 581 CA LEU R 39 26.402 -6.022 7.882 1.00 0.00 C ATOM 582 C LEU R 39 25.144 -6.497 7.152 1.00 0.00 C ATOM 583 O LEU R 39 24.105 -5.874 7.238 1.00 0.00 O ATOM 584 CB LEU R 39 27.249 -5.170 6.919 1.00 0.00 C ATOM 585 CG LEU R 39 26.432 -3.973 6.417 1.00 0.00 C ATOM 586 CD1 LEU R 39 26.033 -3.090 7.599 1.00 0.00 C ATOM 587 CD2 LEU R 39 27.291 -3.153 5.449 1.00 0.00 C ATOM 0 H LEU R 39 28.196 -7.185 8.052 1.00 0.00 H new ATOM 0 HA LEU R 39 26.105 -5.436 8.752 1.00 0.00 H new ATOM 0 HB2 LEU R 39 28.148 -4.820 7.426 1.00 0.00 H new ATOM 0 HB3 LEU R 39 27.575 -5.777 6.075 1.00 0.00 H new ATOM 0 HG LEU R 39 25.535 -4.331 5.912 1.00 0.00 H new ATOM 0 HD11 LEU R 39 25.453 -2.240 7.239 1.00 0.00 H new ATOM 0 HD12 LEU R 39 25.432 -3.670 8.299 1.00 0.00 H new ATOM 0 HD13 LEU R 39 26.930 -2.729 8.103 1.00 0.00 H new ATOM 0 HD21 LEU R 39 26.718 -2.300 5.087 1.00 0.00 H new ATOM 0 HD22 LEU R 39 28.183 -2.798 5.965 1.00 0.00 H new ATOM 0 HD23 LEU R 39 27.585 -3.777 4.605 1.00 0.00 H new ATOM 599 N ASN R 40 25.264 -7.590 6.450 1.00 0.00 N ATOM 600 CA ASN R 40 24.090 -8.122 5.707 1.00 0.00 C ATOM 601 C ASN R 40 22.985 -8.588 6.654 1.00 0.00 C ATOM 602 O ASN R 40 21.825 -8.300 6.435 1.00 0.00 O ATOM 603 CB ASN R 40 24.552 -9.318 4.867 1.00 0.00 C ATOM 604 CG ASN R 40 23.777 -9.338 3.546 1.00 0.00 C ATOM 605 OD1 ASN R 40 23.147 -10.317 3.198 1.00 0.00 O ATOM 606 ND2 ASN R 40 23.797 -8.279 2.784 1.00 0.00 N ATOM 0 H ASN R 40 26.121 -8.135 6.360 1.00 0.00 H new ATOM 0 HA ASN R 40 23.688 -7.325 5.082 1.00 0.00 H new ATOM 0 HB2 ASN R 40 25.622 -9.249 4.673 1.00 0.00 H new ATOM 0 HB3 ASN R 40 24.386 -10.247 5.413 1.00 0.00 H new ATOM 0 HD21 ASN R 40 23.286 -8.276 1.902 1.00 0.00 H new ATOM 0 HD22 ASN R 40 24.324 -7.454 3.071 1.00 0.00 H new ATOM 613 N LEU R 41 23.356 -9.307 7.683 1.00 0.00 N ATOM 614 CA LEU R 41 22.319 -9.789 8.638 1.00 0.00 C ATOM 615 C LEU R 41 21.349 -8.663 8.973 1.00 0.00 C ATOM 616 O LEU R 41 20.182 -8.896 9.217 1.00 0.00 O ATOM 617 CB LEU R 41 23.010 -10.256 9.932 1.00 0.00 C ATOM 618 CG LEU R 41 23.369 -11.750 9.841 1.00 0.00 C ATOM 619 CD1 LEU R 41 22.092 -12.593 9.729 1.00 0.00 C ATOM 620 CD2 LEU R 41 24.256 -11.998 8.614 1.00 0.00 C ATOM 0 H LEU R 41 24.316 -9.576 7.899 1.00 0.00 H new ATOM 0 HA LEU R 41 21.768 -10.612 8.183 1.00 0.00 H new ATOM 0 HB2 LEU R 41 23.912 -9.669 10.102 1.00 0.00 H new ATOM 0 HB3 LEU R 41 22.353 -10.085 10.785 1.00 0.00 H new ATOM 0 HG LEU R 41 23.909 -12.038 10.743 1.00 0.00 H new ATOM 0 HD11 LEU R 41 22.357 -13.648 9.665 1.00 0.00 H new ATOM 0 HD12 LEU R 41 21.469 -12.428 10.608 1.00 0.00 H new ATOM 0 HD13 LEU R 41 21.542 -12.302 8.834 1.00 0.00 H new ATOM 0 HD21 LEU R 41 24.507 -13.057 8.555 1.00 0.00 H new ATOM 0 HD22 LEU R 41 23.721 -11.701 7.712 1.00 0.00 H new ATOM 0 HD23 LEU R 41 25.171 -11.413 8.702 1.00 0.00 H new ATOM 632 N MET R 42 21.852 -7.460 8.977 1.00 0.00 N ATOM 633 CA MET R 42 20.971 -6.304 9.290 1.00 0.00 C ATOM 634 C MET R 42 20.097 -5.977 8.084 1.00 0.00 C ATOM 635 O MET R 42 19.803 -4.829 7.814 1.00 0.00 O ATOM 636 CB MET R 42 21.854 -5.092 9.606 1.00 0.00 C ATOM 637 CG MET R 42 23.066 -5.551 10.418 1.00 0.00 C ATOM 638 SD MET R 42 23.747 -4.386 11.624 1.00 0.00 S ATOM 639 CE MET R 42 25.197 -5.364 12.088 1.00 0.00 C ATOM 0 H MET R 42 22.826 -7.230 8.779 1.00 0.00 H new ATOM 0 HA MET R 42 20.334 -6.548 10.140 1.00 0.00 H new ATOM 0 HB2 MET R 42 22.180 -4.614 8.682 1.00 0.00 H new ATOM 0 HB3 MET R 42 21.286 -4.349 10.166 1.00 0.00 H new ATOM 0 HG2 MET R 42 22.791 -6.463 10.948 1.00 0.00 H new ATOM 0 HG3 MET R 42 23.860 -5.815 9.719 1.00 0.00 H new ATOM 0 HE1 MET R 42 25.775 -4.824 12.838 1.00 0.00 H new ATOM 0 HE2 MET R 42 24.874 -6.321 12.498 1.00 0.00 H new ATOM 0 HE3 MET R 42 25.816 -5.536 11.208 1.00 0.00 H new ATOM 649 N LEU R 43 19.698 -7.002 7.381 1.00 0.00 N ATOM 650 CA LEU R 43 18.848 -6.790 6.187 1.00 0.00 C ATOM 651 C LEU R 43 17.384 -6.587 6.570 1.00 0.00 C ATOM 652 O LEU R 43 16.526 -6.506 5.713 1.00 0.00 O ATOM 653 CB LEU R 43 18.959 -8.042 5.311 1.00 0.00 C ATOM 654 CG LEU R 43 19.915 -7.760 4.152 1.00 0.00 C ATOM 655 CD1 LEU R 43 20.325 -9.085 3.506 1.00 0.00 C ATOM 656 CD2 LEU R 43 19.209 -6.889 3.111 1.00 0.00 C ATOM 0 H LEU R 43 19.927 -7.975 7.586 1.00 0.00 H new ATOM 0 HA LEU R 43 19.186 -5.896 5.663 1.00 0.00 H new ATOM 0 HB2 LEU R 43 19.322 -8.883 5.902 1.00 0.00 H new ATOM 0 HB3 LEU R 43 17.977 -8.321 4.929 1.00 0.00 H new ATOM 0 HG LEU R 43 20.798 -7.241 4.524 1.00 0.00 H new ATOM 0 HD11 LEU R 43 21.007 -8.891 2.678 1.00 0.00 H new ATOM 0 HD12 LEU R 43 20.822 -9.712 4.246 1.00 0.00 H new ATOM 0 HD13 LEU R 43 19.438 -9.598 3.133 1.00 0.00 H new ATOM 0 HD21 LEU R 43 19.889 -6.687 2.284 1.00 0.00 H new ATOM 0 HD22 LEU R 43 18.328 -7.411 2.737 1.00 0.00 H new ATOM 0 HD23 LEU R 43 18.906 -5.948 3.569 1.00 0.00 H new ATOM 668 N THR R 44 17.120 -6.508 7.844 1.00 0.00 N ATOM 669 CA THR R 44 15.712 -6.309 8.274 1.00 0.00 C ATOM 670 C THR R 44 15.069 -5.187 7.448 1.00 0.00 C ATOM 671 O THR R 44 15.763 -4.379 6.867 1.00 0.00 O ATOM 672 CB THR R 44 15.716 -5.904 9.752 1.00 0.00 C ATOM 673 OG1 THR R 44 17.056 -5.541 10.035 1.00 0.00 O ATOM 674 CG2 THR R 44 15.449 -7.115 10.656 1.00 0.00 C ATOM 0 H THR R 44 17.808 -6.572 8.595 1.00 0.00 H new ATOM 0 HA THR R 44 15.145 -7.228 8.128 1.00 0.00 H new ATOM 0 HB THR R 44 14.969 -5.129 9.923 1.00 0.00 H new ATOM 0 HG1 THR R 44 17.413 -6.128 10.734 1.00 0.00 H new ATOM 0 HG21 THR R 44 15.457 -6.799 11.699 1.00 0.00 H new ATOM 0 HG22 THR R 44 14.476 -7.542 10.414 1.00 0.00 H new ATOM 0 HG23 THR R 44 16.224 -7.865 10.498 1.00 0.00 H new ATOM 682 N PRO R 45 13.753 -5.148 7.413 1.00 0.00 N ATOM 683 CA PRO R 45 13.039 -4.111 6.650 1.00 0.00 C ATOM 684 C PRO R 45 13.495 -2.705 7.041 1.00 0.00 C ATOM 685 O PRO R 45 14.073 -1.993 6.245 1.00 0.00 O ATOM 686 CB PRO R 45 11.559 -4.302 7.024 1.00 0.00 C ATOM 687 CG PRO R 45 11.462 -5.534 7.958 1.00 0.00 C ATOM 688 CD PRO R 45 12.878 -6.101 8.128 1.00 0.00 C ATOM 0 HA PRO R 45 13.227 -4.207 5.581 1.00 0.00 H new ATOM 0 HB2 PRO R 45 11.173 -3.413 7.523 1.00 0.00 H new ATOM 0 HB3 PRO R 45 10.955 -4.453 6.129 1.00 0.00 H new ATOM 0 HG2 PRO R 45 11.045 -5.250 8.924 1.00 0.00 H new ATOM 0 HG3 PRO R 45 10.797 -6.286 7.532 1.00 0.00 H new ATOM 0 HD2 PRO R 45 13.151 -6.176 9.181 1.00 0.00 H new ATOM 0 HD3 PRO R 45 12.956 -7.103 7.707 1.00 0.00 H new ATOM 696 N ASP R 46 13.223 -2.331 8.261 1.00 0.00 N ATOM 697 CA ASP R 46 13.633 -0.977 8.719 1.00 0.00 C ATOM 698 C ASP R 46 15.112 -0.716 8.432 1.00 0.00 C ATOM 699 O ASP R 46 15.454 0.160 7.664 1.00 0.00 O ATOM 700 CB ASP R 46 13.407 -0.896 10.232 1.00 0.00 C ATOM 701 CG ASP R 46 13.967 0.428 10.759 1.00 0.00 C ATOM 702 OD1 ASP R 46 15.181 0.528 10.790 1.00 0.00 O ATOM 703 OD2 ASP R 46 13.145 1.263 11.100 1.00 0.00 O ATOM 0 H ASP R 46 12.738 -2.901 8.955 1.00 0.00 H new ATOM 0 HA ASP R 46 13.043 -0.232 8.185 1.00 0.00 H new ATOM 0 HB2 ASP R 46 12.343 -0.969 10.456 1.00 0.00 H new ATOM 0 HB3 ASP R 46 13.895 -1.734 10.729 1.00 0.00 H new ATOM 708 N GLU R 47 15.957 -1.486 9.058 1.00 0.00 N ATOM 709 CA GLU R 47 17.417 -1.305 8.843 1.00 0.00 C ATOM 710 C GLU R 47 17.757 -1.176 7.358 1.00 0.00 C ATOM 711 O GLU R 47 18.497 -0.297 6.964 1.00 0.00 O ATOM 712 CB GLU R 47 18.137 -2.531 9.412 1.00 0.00 C ATOM 713 CG GLU R 47 17.697 -2.737 10.862 1.00 0.00 C ATOM 714 CD GLU R 47 18.770 -3.531 11.612 1.00 0.00 C ATOM 715 OE1 GLU R 47 19.119 -4.582 11.103 1.00 0.00 O ATOM 716 OE2 GLU R 47 19.181 -3.039 12.650 1.00 0.00 O ATOM 0 H GLU R 47 15.700 -2.230 9.707 1.00 0.00 H new ATOM 0 HA GLU R 47 17.734 -0.388 9.341 1.00 0.00 H new ATOM 0 HB2 GLU R 47 17.903 -3.415 8.818 1.00 0.00 H new ATOM 0 HB3 GLU R 47 19.217 -2.390 9.362 1.00 0.00 H new ATOM 0 HG2 GLU R 47 17.538 -1.773 11.346 1.00 0.00 H new ATOM 0 HG3 GLU R 47 16.747 -3.270 10.893 1.00 0.00 H new ATOM 723 N ARG R 48 17.212 -2.053 6.559 1.00 0.00 N ATOM 724 CA ARG R 48 17.500 -1.988 5.100 1.00 0.00 C ATOM 725 C ARG R 48 17.257 -0.582 4.549 1.00 0.00 C ATOM 726 O ARG R 48 18.016 -0.097 3.734 1.00 0.00 O ATOM 727 CB ARG R 48 16.569 -2.969 4.376 1.00 0.00 C ATOM 728 CG ARG R 48 16.881 -2.951 2.880 1.00 0.00 C ATOM 729 CD ARG R 48 16.103 -4.076 2.197 1.00 0.00 C ATOM 730 NE ARG R 48 14.657 -3.936 2.531 1.00 0.00 N ATOM 731 CZ ARG R 48 13.772 -3.981 1.574 1.00 0.00 C ATOM 732 NH1 ARG R 48 13.282 -5.140 1.222 1.00 0.00 N ATOM 733 NH2 ARG R 48 13.404 -2.868 1.000 1.00 0.00 N ATOM 0 H ARG R 48 16.586 -2.804 6.850 1.00 0.00 H new ATOM 0 HA ARG R 48 18.547 -2.246 4.939 1.00 0.00 H new ATOM 0 HB2 ARG R 48 16.701 -3.975 4.775 1.00 0.00 H new ATOM 0 HB3 ARG R 48 15.528 -2.693 4.545 1.00 0.00 H new ATOM 0 HG2 ARG R 48 16.607 -1.988 2.450 1.00 0.00 H new ATOM 0 HG3 ARG R 48 17.951 -3.080 2.717 1.00 0.00 H new ATOM 0 HD2 ARG R 48 16.246 -4.032 1.117 1.00 0.00 H new ATOM 0 HD3 ARG R 48 16.474 -5.046 2.528 1.00 0.00 H new ATOM 0 HE ARG R 48 14.362 -3.806 3.499 1.00 0.00 H new ATOM 0 HH11 ARG R 48 13.593 -5.989 1.694 1.00 0.00 H new ATOM 0 HH12 ARG R 48 12.589 -5.195 0.476 1.00 0.00 H new ATOM 0 HH21 ARG R 48 13.807 -1.981 1.301 1.00 0.00 H new ATOM 0 HH22 ARG R 48 12.713 -2.885 0.250 1.00 0.00 H new ATOM 747 N GLU R 49 16.206 0.046 5.006 1.00 0.00 N ATOM 748 CA GLU R 49 15.904 1.419 4.515 1.00 0.00 C ATOM 749 C GLU R 49 16.449 2.475 5.471 1.00 0.00 C ATOM 750 O GLU R 49 16.333 3.659 5.222 1.00 0.00 O ATOM 751 CB GLU R 49 14.381 1.573 4.424 1.00 0.00 C ATOM 752 CG GLU R 49 13.842 0.592 3.380 1.00 0.00 C ATOM 753 CD GLU R 49 12.392 0.237 3.718 1.00 0.00 C ATOM 754 OE1 GLU R 49 12.226 -0.527 4.654 1.00 0.00 O ATOM 755 OE2 GLU R 49 11.533 0.749 3.020 1.00 0.00 O ATOM 0 H GLU R 49 15.550 -0.329 5.691 1.00 0.00 H new ATOM 0 HA GLU R 49 16.374 1.559 3.542 1.00 0.00 H new ATOM 0 HB2 GLU R 49 13.924 1.378 5.394 1.00 0.00 H new ATOM 0 HB3 GLU R 49 14.122 2.595 4.149 1.00 0.00 H new ATOM 0 HG2 GLU R 49 13.897 1.035 2.386 1.00 0.00 H new ATOM 0 HG3 GLU R 49 14.454 -0.310 3.362 1.00 0.00 H new ATOM 762 N ALA R 50 17.034 2.031 6.547 1.00 0.00 N ATOM 763 CA ALA R 50 17.591 3.002 7.525 1.00 0.00 C ATOM 764 C ALA R 50 19.024 3.378 7.156 1.00 0.00 C ATOM 765 O ALA R 50 19.412 4.525 7.264 1.00 0.00 O ATOM 766 CB ALA R 50 17.591 2.348 8.912 1.00 0.00 C ATOM 0 H ALA R 50 17.150 1.047 6.790 1.00 0.00 H new ATOM 0 HA ALA R 50 16.980 3.905 7.520 1.00 0.00 H new ATOM 0 HB1 ALA R 50 17.997 3.047 9.644 1.00 0.00 H new ATOM 0 HB2 ALA R 50 16.571 2.084 9.190 1.00 0.00 H new ATOM 0 HB3 ALA R 50 18.206 1.448 8.890 1.00 0.00 H new ATOM 772 N LEU R 51 19.786 2.408 6.725 1.00 0.00 N ATOM 773 CA LEU R 51 21.194 2.704 6.349 1.00 0.00 C ATOM 774 C LEU R 51 21.242 3.878 5.374 1.00 0.00 C ATOM 775 O LEU R 51 22.110 4.724 5.459 1.00 0.00 O ATOM 776 CB LEU R 51 21.798 1.449 5.684 1.00 0.00 C ATOM 777 CG LEU R 51 23.330 1.418 5.874 1.00 0.00 C ATOM 778 CD1 LEU R 51 23.824 -0.034 5.914 1.00 0.00 C ATOM 779 CD2 LEU R 51 23.996 2.131 4.696 1.00 0.00 C ATOM 0 H LEU R 51 19.497 1.436 6.619 1.00 0.00 H new ATOM 0 HA LEU R 51 21.765 2.969 7.239 1.00 0.00 H new ATOM 0 HB2 LEU R 51 21.354 0.552 6.116 1.00 0.00 H new ATOM 0 HB3 LEU R 51 21.558 1.443 4.621 1.00 0.00 H new ATOM 0 HG LEU R 51 23.584 1.915 6.810 1.00 0.00 H new ATOM 0 HD11 LEU R 51 24.906 -0.047 6.048 1.00 0.00 H new ATOM 0 HD12 LEU R 51 23.349 -0.557 6.744 1.00 0.00 H new ATOM 0 HD13 LEU R 51 23.569 -0.531 4.978 1.00 0.00 H new ATOM 0 HD21 LEU R 51 25.078 2.113 4.824 1.00 0.00 H new ATOM 0 HD22 LEU R 51 23.732 1.624 3.768 1.00 0.00 H new ATOM 0 HD23 LEU R 51 23.653 3.165 4.655 1.00 0.00 H new ATOM 791 N GLY R 52 20.312 3.912 4.462 1.00 0.00 N ATOM 792 CA GLY R 52 20.308 5.036 3.485 1.00 0.00 C ATOM 793 C GLY R 52 20.152 6.354 4.249 1.00 0.00 C ATOM 794 O GLY R 52 20.767 7.351 3.922 1.00 0.00 O ATOM 0 H GLY R 52 19.567 3.224 4.351 1.00 0.00 H new ATOM 0 HA2 GLY R 52 21.234 5.040 2.911 1.00 0.00 H new ATOM 0 HA3 GLY R 52 19.492 4.914 2.773 1.00 0.00 H new ATOM 798 N THR R 53 19.328 6.315 5.261 1.00 0.00 N ATOM 799 CA THR R 53 19.101 7.538 6.075 1.00 0.00 C ATOM 800 C THR R 53 20.382 7.928 6.810 1.00 0.00 C ATOM 801 O THR R 53 20.572 9.069 7.175 1.00 0.00 O ATOM 802 CB THR R 53 18.016 7.229 7.109 1.00 0.00 C ATOM 803 OG1 THR R 53 17.054 6.448 6.422 1.00 0.00 O ATOM 804 CG2 THR R 53 17.259 8.499 7.516 1.00 0.00 C ATOM 0 H THR R 53 18.805 5.491 5.557 1.00 0.00 H new ATOM 0 HA THR R 53 18.800 8.359 5.425 1.00 0.00 H new ATOM 0 HB THR R 53 18.469 6.761 7.983 1.00 0.00 H new ATOM 0 HG1 THR R 53 16.326 6.213 7.034 1.00 0.00 H new ATOM 0 HG21 THR R 53 16.495 8.247 8.251 1.00 0.00 H new ATOM 0 HG22 THR R 53 17.957 9.216 7.949 1.00 0.00 H new ATOM 0 HG23 THR R 53 16.786 8.938 6.637 1.00 0.00 H new ATOM 812 N ARG R 54 21.232 6.959 7.017 1.00 0.00 N ATOM 813 CA ARG R 54 22.508 7.241 7.726 1.00 0.00 C ATOM 814 C ARG R 54 23.488 7.941 6.795 1.00 0.00 C ATOM 815 O ARG R 54 24.312 8.719 7.225 1.00 0.00 O ATOM 816 CB ARG R 54 23.110 5.903 8.168 1.00 0.00 C ATOM 817 CG ARG R 54 24.335 6.153 9.045 1.00 0.00 C ATOM 818 CD ARG R 54 24.268 5.212 10.248 1.00 0.00 C ATOM 819 NE ARG R 54 25.531 5.320 11.029 1.00 0.00 N ATOM 820 CZ ARG R 54 25.604 4.744 12.197 1.00 0.00 C ATOM 821 NH1 ARG R 54 25.889 3.472 12.260 1.00 0.00 N ATOM 822 NH2 ARG R 54 25.382 5.460 13.263 1.00 0.00 N ATOM 0 H ARG R 54 21.097 5.990 6.727 1.00 0.00 H new ATOM 0 HA ARG R 54 22.317 7.887 8.583 1.00 0.00 H new ATOM 0 HB2 ARG R 54 22.369 5.324 8.719 1.00 0.00 H new ATOM 0 HB3 ARG R 54 23.390 5.313 7.295 1.00 0.00 H new ATOM 0 HG2 ARG R 54 25.249 5.979 8.478 1.00 0.00 H new ATOM 0 HG3 ARG R 54 24.359 7.191 9.376 1.00 0.00 H new ATOM 0 HD2 ARG R 54 23.415 5.468 10.877 1.00 0.00 H new ATOM 0 HD3 ARG R 54 24.121 4.185 9.913 1.00 0.00 H new ATOM 0 HE ARG R 54 26.327 5.837 10.656 1.00 0.00 H new ATOM 0 HH11 ARG R 54 26.051 2.943 11.403 1.00 0.00 H new ATOM 0 HH12 ARG R 54 25.950 3.007 13.166 1.00 0.00 H new ATOM 0 HH21 ARG R 54 25.156 6.451 13.174 1.00 0.00 H new ATOM 0 HH22 ARG R 54 25.434 5.030 14.186 1.00 0.00 H new ATOM 836 N VAL R 55 23.393 7.628 5.536 1.00 0.00 N ATOM 837 CA VAL R 55 24.308 8.268 4.560 1.00 0.00 C ATOM 838 C VAL R 55 23.821 9.689 4.257 1.00 0.00 C ATOM 839 O VAL R 55 24.584 10.549 3.857 1.00 0.00 O ATOM 840 CB VAL R 55 24.275 7.449 3.265 1.00 0.00 C ATOM 841 CG1 VAL R 55 25.430 7.890 2.365 1.00 0.00 C ATOM 842 CG2 VAL R 55 24.435 5.966 3.606 1.00 0.00 C ATOM 0 H VAL R 55 22.727 6.962 5.144 1.00 0.00 H new ATOM 0 HA VAL R 55 25.319 8.309 4.966 1.00 0.00 H new ATOM 0 HB VAL R 55 23.327 7.606 2.750 1.00 0.00 H new ATOM 0 HG11 VAL R 55 25.413 7.311 1.441 1.00 0.00 H new ATOM 0 HG12 VAL R 55 25.325 8.950 2.131 1.00 0.00 H new ATOM 0 HG13 VAL R 55 26.376 7.724 2.880 1.00 0.00 H new ATOM 0 HG21 VAL R 55 24.412 5.377 2.689 1.00 0.00 H new ATOM 0 HG22 VAL R 55 25.387 5.810 4.114 1.00 0.00 H new ATOM 0 HG23 VAL R 55 23.620 5.653 4.258 1.00 0.00 H new ATOM 852 N ARG R 56 22.543 9.899 4.468 1.00 0.00 N ATOM 853 CA ARG R 56 21.940 11.239 4.210 1.00 0.00 C ATOM 854 C ARG R 56 22.597 12.345 5.042 1.00 0.00 C ATOM 855 O ARG R 56 23.255 13.210 4.508 1.00 0.00 O ATOM 856 CB ARG R 56 20.457 11.170 4.594 1.00 0.00 C ATOM 857 CG ARG R 56 19.605 11.100 3.324 1.00 0.00 C ATOM 858 CD ARG R 56 18.129 10.968 3.711 1.00 0.00 C ATOM 859 NE ARG R 56 17.533 9.823 2.964 1.00 0.00 N ATOM 860 CZ ARG R 56 16.261 9.839 2.667 1.00 0.00 C ATOM 861 NH1 ARG R 56 15.411 10.285 3.552 1.00 0.00 N ATOM 862 NH2 ARG R 56 15.883 9.402 1.499 1.00 0.00 N ATOM 0 H ARG R 56 21.891 9.193 4.810 1.00 0.00 H new ATOM 0 HA ARG R 56 22.086 11.480 3.157 1.00 0.00 H new ATOM 0 HB2 ARG R 56 20.272 10.296 5.218 1.00 0.00 H new ATOM 0 HB3 ARG R 56 20.181 12.045 5.182 1.00 0.00 H new ATOM 0 HG2 ARG R 56 19.756 11.996 2.721 1.00 0.00 H new ATOM 0 HG3 ARG R 56 19.910 10.250 2.714 1.00 0.00 H new ATOM 0 HD2 ARG R 56 18.034 10.807 4.785 1.00 0.00 H new ATOM 0 HD3 ARG R 56 17.595 11.889 3.478 1.00 0.00 H new ATOM 0 HE ARG R 56 18.115 9.032 2.687 1.00 0.00 H new ATOM 0 HH11 ARG R 56 15.744 10.614 4.458 1.00 0.00 H new ATOM 0 HH12 ARG R 56 14.414 10.305 3.337 1.00 0.00 H new ATOM 0 HH21 ARG R 56 16.576 9.056 0.835 1.00 0.00 H new ATOM 0 HH22 ARG R 56 14.894 9.406 1.248 1.00 0.00 H new ATOM 876 N ILE R 57 22.399 12.291 6.334 1.00 0.00 N ATOM 877 CA ILE R 57 22.993 13.320 7.224 1.00 0.00 C ATOM 878 C ILE R 57 24.392 13.715 6.778 1.00 0.00 C ATOM 879 O ILE R 57 24.595 14.784 6.239 1.00 0.00 O ATOM 880 CB ILE R 57 23.087 12.724 8.614 1.00 0.00 C ATOM 881 CG1 ILE R 57 23.140 11.204 8.517 1.00 0.00 C ATOM 882 CG2 ILE R 57 21.834 13.132 9.395 1.00 0.00 C ATOM 883 CD1 ILE R 57 23.697 10.623 9.819 1.00 0.00 C ATOM 0 H ILE R 57 21.849 11.574 6.808 1.00 0.00 H new ATOM 0 HA ILE R 57 22.366 14.211 7.198 1.00 0.00 H new ATOM 0 HB ILE R 57 23.986 13.083 9.115 1.00 0.00 H new ATOM 0 HG12 ILE R 57 22.143 10.807 8.328 1.00 0.00 H new ATOM 0 HG13 ILE R 57 23.767 10.905 7.677 1.00 0.00 H new ATOM 0 HG21 ILE R 57 21.880 12.714 10.400 1.00 0.00 H new ATOM 0 HG22 ILE R 57 21.781 14.219 9.456 1.00 0.00 H new ATOM 0 HG23 ILE R 57 20.948 12.754 8.885 1.00 0.00 H new ATOM 0 HD11 ILE R 57 23.733 9.536 9.746 1.00 0.00 H new ATOM 0 HD12 ILE R 57 24.702 11.009 9.989 1.00 0.00 H new ATOM 0 HD13 ILE R 57 23.053 10.909 10.650 1.00 0.00 H new ATOM 895 N VAL R 58 25.326 12.841 7.038 1.00 0.00 N ATOM 896 CA VAL R 58 26.738 13.119 6.647 1.00 0.00 C ATOM 897 C VAL R 58 26.803 13.877 5.322 1.00 0.00 C ATOM 898 O VAL R 58 27.263 15.001 5.259 1.00 0.00 O ATOM 899 CB VAL R 58 27.453 11.772 6.469 1.00 0.00 C ATOM 900 CG1 VAL R 58 28.867 12.020 5.944 1.00 0.00 C ATOM 901 CG2 VAL R 58 27.534 11.059 7.818 1.00 0.00 C ATOM 0 H VAL R 58 25.173 11.947 7.504 1.00 0.00 H new ATOM 0 HA VAL R 58 27.208 13.727 7.420 1.00 0.00 H new ATOM 0 HB VAL R 58 26.900 11.154 5.762 1.00 0.00 H new ATOM 0 HG11 VAL R 58 29.380 11.067 5.816 1.00 0.00 H new ATOM 0 HG12 VAL R 58 28.814 12.536 4.985 1.00 0.00 H new ATOM 0 HG13 VAL R 58 29.417 12.635 6.656 1.00 0.00 H new ATOM 0 HG21 VAL R 58 28.041 10.102 7.694 1.00 0.00 H new ATOM 0 HG22 VAL R 58 28.091 11.676 8.523 1.00 0.00 H new ATOM 0 HG23 VAL R 58 26.528 10.889 8.201 1.00 0.00 H new ATOM 911 N GLU R 59 26.336 13.240 4.287 1.00 0.00 N ATOM 912 CA GLU R 59 26.355 13.895 2.955 1.00 0.00 C ATOM 913 C GLU R 59 25.690 15.270 3.006 1.00 0.00 C ATOM 914 O GLU R 59 26.326 16.276 2.764 1.00 0.00 O ATOM 915 CB GLU R 59 25.584 13.007 1.970 1.00 0.00 C ATOM 916 CG GLU R 59 26.076 13.287 0.549 1.00 0.00 C ATOM 917 CD GLU R 59 27.419 12.587 0.331 1.00 0.00 C ATOM 918 OE1 GLU R 59 27.382 11.374 0.201 1.00 0.00 O ATOM 919 OE2 GLU R 59 28.406 13.303 0.308 1.00 0.00 O ATOM 0 H GLU R 59 25.944 12.299 4.306 1.00 0.00 H new ATOM 0 HA GLU R 59 27.390 14.026 2.641 1.00 0.00 H new ATOM 0 HB2 GLU R 59 25.731 11.956 2.218 1.00 0.00 H new ATOM 0 HB3 GLU R 59 24.515 13.205 2.043 1.00 0.00 H new ATOM 0 HG2 GLU R 59 25.345 12.931 -0.178 1.00 0.00 H new ATOM 0 HG3 GLU R 59 26.183 14.361 0.394 1.00 0.00 H new ATOM 926 N GLU R 60 24.418 15.278 3.310 1.00 0.00 N ATOM 927 CA GLU R 60 23.675 16.567 3.386 1.00 0.00 C ATOM 928 C GLU R 60 24.541 17.675 3.986 1.00 0.00 C ATOM 929 O GLU R 60 24.591 18.774 3.472 1.00 0.00 O ATOM 930 CB GLU R 60 22.447 16.363 4.285 1.00 0.00 C ATOM 931 CG GLU R 60 21.328 15.709 3.471 1.00 0.00 C ATOM 932 CD GLU R 60 20.214 15.247 4.415 1.00 0.00 C ATOM 933 OE1 GLU R 60 20.545 14.492 5.315 1.00 0.00 O ATOM 934 OE2 GLU R 60 19.096 15.676 4.183 1.00 0.00 O ATOM 0 H GLU R 60 23.863 14.446 3.509 1.00 0.00 H new ATOM 0 HA GLU R 60 23.386 16.864 2.378 1.00 0.00 H new ATOM 0 HB2 GLU R 60 22.706 15.736 5.138 1.00 0.00 H new ATOM 0 HB3 GLU R 60 22.111 17.320 4.684 1.00 0.00 H new ATOM 0 HG2 GLU R 60 20.932 16.417 2.743 1.00 0.00 H new ATOM 0 HG3 GLU R 60 21.720 14.860 2.910 1.00 0.00 H new ATOM 941 N LEU R 61 25.207 17.362 5.065 1.00 0.00 N ATOM 942 CA LEU R 61 26.072 18.381 5.710 1.00 0.00 C ATOM 943 C LEU R 61 27.146 18.871 4.744 1.00 0.00 C ATOM 944 O LEU R 61 27.459 20.044 4.703 1.00 0.00 O ATOM 945 CB LEU R 61 26.756 17.730 6.918 1.00 0.00 C ATOM 946 CG LEU R 61 26.039 18.163 8.198 1.00 0.00 C ATOM 947 CD1 LEU R 61 26.580 17.349 9.374 1.00 0.00 C ATOM 948 CD2 LEU R 61 26.297 19.650 8.451 1.00 0.00 C ATOM 0 H LEU R 61 25.188 16.450 5.522 1.00 0.00 H new ATOM 0 HA LEU R 61 25.461 19.232 6.012 1.00 0.00 H new ATOM 0 HB2 LEU R 61 26.732 16.644 6.823 1.00 0.00 H new ATOM 0 HB3 LEU R 61 27.805 18.023 6.958 1.00 0.00 H new ATOM 0 HG LEU R 61 24.967 17.994 8.092 1.00 0.00 H new ATOM 0 HD11 LEU R 61 26.073 17.652 10.290 1.00 0.00 H new ATOM 0 HD12 LEU R 61 26.402 16.289 9.195 1.00 0.00 H new ATOM 0 HD13 LEU R 61 27.651 17.525 9.476 1.00 0.00 H new ATOM 0 HD21 LEU R 61 25.786 19.958 9.363 1.00 0.00 H new ATOM 0 HD22 LEU R 61 27.368 19.820 8.560 1.00 0.00 H new ATOM 0 HD23 LEU R 61 25.921 20.233 7.610 1.00 0.00 H new ATOM 1426 N PRO R 93 24.228 18.580 16.820 1.00 0.00 N ATOM 1427 CA PRO R 93 25.227 18.427 15.744 1.00 0.00 C ATOM 1428 C PRO R 93 26.613 18.863 16.210 1.00 0.00 C ATOM 1429 O PRO R 93 27.615 18.404 15.703 1.00 0.00 O ATOM 1430 CB PRO R 93 24.753 19.372 14.629 1.00 0.00 C ATOM 1431 CG PRO R 93 23.555 20.182 15.180 1.00 0.00 C ATOM 1432 CD PRO R 93 23.173 19.581 16.542 1.00 0.00 C ATOM 0 HA PRO R 93 25.307 17.388 15.425 1.00 0.00 H new ATOM 0 HB2 PRO R 93 25.559 20.040 14.325 1.00 0.00 H new ATOM 0 HB3 PRO R 93 24.458 18.805 13.746 1.00 0.00 H new ATOM 0 HG2 PRO R 93 23.821 21.234 15.287 1.00 0.00 H new ATOM 0 HG3 PRO R 93 22.712 20.135 14.491 1.00 0.00 H new ATOM 0 HD2 PRO R 93 23.139 20.347 17.317 1.00 0.00 H new ATOM 0 HD3 PRO R 93 22.187 19.118 16.508 1.00 0.00 H new ATOM 1440 N VAL R 94 26.640 19.764 17.153 1.00 0.00 N ATOM 1441 CA VAL R 94 27.951 20.241 17.662 1.00 0.00 C ATOM 1442 C VAL R 94 28.728 19.073 18.254 1.00 0.00 C ATOM 1443 O VAL R 94 29.920 19.153 18.474 1.00 0.00 O ATOM 1444 CB VAL R 94 27.685 21.293 18.744 1.00 0.00 C ATOM 1445 CG1 VAL R 94 29.013 21.894 19.216 1.00 0.00 C ATOM 1446 CG2 VAL R 94 26.803 22.395 18.144 1.00 0.00 C ATOM 0 H VAL R 94 25.819 20.185 17.588 1.00 0.00 H new ATOM 0 HA VAL R 94 28.539 20.673 16.852 1.00 0.00 H new ATOM 0 HB VAL R 94 27.183 20.835 19.596 1.00 0.00 H new ATOM 0 HG11 VAL R 94 28.821 22.642 19.985 1.00 0.00 H new ATOM 0 HG12 VAL R 94 29.644 21.105 19.626 1.00 0.00 H new ATOM 0 HG13 VAL R 94 29.520 22.363 18.373 1.00 0.00 H new ATOM 0 HG21 VAL R 94 26.603 23.153 18.901 1.00 0.00 H new ATOM 0 HG22 VAL R 94 27.317 22.853 17.299 1.00 0.00 H new ATOM 0 HG23 VAL R 94 25.861 21.963 17.805 1.00 0.00 H new ATOM 1456 N GLU R 95 28.024 18.002 18.499 1.00 0.00 N ATOM 1457 CA GLU R 95 28.685 16.806 19.073 1.00 0.00 C ATOM 1458 C GLU R 95 29.216 15.930 17.944 1.00 0.00 C ATOM 1459 O GLU R 95 29.958 15.000 18.165 1.00 0.00 O ATOM 1460 CB GLU R 95 27.643 16.012 19.868 1.00 0.00 C ATOM 1461 CG GLU R 95 28.153 15.792 21.294 1.00 0.00 C ATOM 1462 CD GLU R 95 27.107 15.008 22.090 1.00 0.00 C ATOM 1463 OE1 GLU R 95 26.063 14.752 21.510 1.00 0.00 O ATOM 1464 OE2 GLU R 95 27.411 14.707 23.233 1.00 0.00 O ATOM 0 H GLU R 95 27.023 17.907 18.326 1.00 0.00 H new ATOM 0 HA GLU R 95 29.509 17.109 19.719 1.00 0.00 H new ATOM 0 HB2 GLU R 95 26.696 16.551 19.888 1.00 0.00 H new ATOM 0 HB3 GLU R 95 27.454 15.053 19.385 1.00 0.00 H new ATOM 0 HG2 GLU R 95 29.096 15.246 21.275 1.00 0.00 H new ATOM 0 HG3 GLU R 95 28.349 16.751 21.774 1.00 0.00 H new ATOM 1471 N LEU R 96 28.812 16.250 16.749 1.00 0.00 N ATOM 1472 CA LEU R 96 29.269 15.464 15.578 1.00 0.00 C ATOM 1473 C LEU R 96 30.491 16.122 14.941 1.00 0.00 C ATOM 1474 O LEU R 96 31.444 15.459 14.567 1.00 0.00 O ATOM 1475 CB LEU R 96 28.109 15.422 14.566 1.00 0.00 C ATOM 1476 CG LEU R 96 28.578 14.826 13.235 1.00 0.00 C ATOM 1477 CD1 LEU R 96 29.256 13.476 13.478 1.00 0.00 C ATOM 1478 CD2 LEU R 96 27.361 14.612 12.331 1.00 0.00 C ATOM 0 H LEU R 96 28.184 17.024 16.534 1.00 0.00 H new ATOM 0 HA LEU R 96 29.551 14.457 15.885 1.00 0.00 H new ATOM 0 HB2 LEU R 96 27.289 14.827 14.969 1.00 0.00 H new ATOM 0 HB3 LEU R 96 27.723 16.429 14.404 1.00 0.00 H new ATOM 0 HG LEU R 96 29.286 15.508 12.764 1.00 0.00 H new ATOM 0 HD11 LEU R 96 29.587 13.059 12.527 1.00 0.00 H new ATOM 0 HD12 LEU R 96 30.117 13.614 14.133 1.00 0.00 H new ATOM 0 HD13 LEU R 96 28.548 12.793 13.948 1.00 0.00 H new ATOM 0 HD21 LEU R 96 27.684 14.188 11.380 1.00 0.00 H new ATOM 0 HD22 LEU R 96 26.664 13.928 12.815 1.00 0.00 H new ATOM 0 HD23 LEU R 96 26.868 15.567 12.153 1.00 0.00 H new ATOM 1490 N ARG R 97 30.450 17.419 14.835 1.00 0.00 N ATOM 1491 CA ARG R 97 31.589 18.128 14.236 1.00 0.00 C ATOM 1492 C ARG R 97 32.903 17.644 14.845 1.00 0.00 C ATOM 1493 O ARG R 97 33.957 17.801 14.261 1.00 0.00 O ATOM 1494 CB ARG R 97 31.402 19.611 14.542 1.00 0.00 C ATOM 1495 CG ARG R 97 30.057 20.071 13.977 1.00 0.00 C ATOM 1496 CD ARG R 97 30.016 21.601 13.978 1.00 0.00 C ATOM 1497 NE ARG R 97 31.017 22.108 14.956 1.00 0.00 N ATOM 1498 CZ ARG R 97 31.586 23.264 14.747 1.00 0.00 C ATOM 1499 NH1 ARG R 97 32.275 23.437 13.654 1.00 0.00 N ATOM 1500 NH2 ARG R 97 31.443 24.213 15.633 1.00 0.00 N ATOM 0 H ARG R 97 29.675 18.009 15.139 1.00 0.00 H new ATOM 0 HA ARG R 97 31.629 17.944 13.162 1.00 0.00 H new ATOM 0 HB2 ARG R 97 31.436 19.780 15.618 1.00 0.00 H new ATOM 0 HB3 ARG R 97 32.213 20.191 14.102 1.00 0.00 H new ATOM 0 HG2 ARG R 97 29.924 19.691 12.964 1.00 0.00 H new ATOM 0 HG3 ARG R 97 29.240 19.672 14.577 1.00 0.00 H new ATOM 0 HD2 ARG R 97 30.234 21.985 12.981 1.00 0.00 H new ATOM 0 HD3 ARG R 97 29.019 21.951 14.243 1.00 0.00 H new ATOM 0 HE ARG R 97 31.256 21.558 15.781 1.00 0.00 H new ATOM 0 HH11 ARG R 97 32.362 22.676 12.980 1.00 0.00 H new ATOM 0 HH12 ARG R 97 32.727 24.333 13.473 1.00 0.00 H new ATOM 0 HH21 ARG R 97 30.892 24.046 16.475 1.00 0.00 H new ATOM 0 HH22 ARG R 97 31.882 25.121 15.483 1.00 0.00 H new ATOM 1514 N GLN R 98 32.818 17.060 16.012 1.00 0.00 N ATOM 1515 CA GLN R 98 34.044 16.565 16.666 1.00 0.00 C ATOM 1516 C GLN R 98 34.848 15.683 15.708 1.00 0.00 C ATOM 1517 O GLN R 98 36.016 15.927 15.481 1.00 0.00 O ATOM 1518 CB GLN R 98 33.608 15.745 17.875 1.00 0.00 C ATOM 1519 CG GLN R 98 32.784 16.635 18.805 1.00 0.00 C ATOM 1520 CD GLN R 98 33.231 16.410 20.249 1.00 0.00 C ATOM 1521 OE1 GLN R 98 32.991 15.370 20.830 1.00 0.00 O ATOM 1522 NE2 GLN R 98 33.880 17.357 20.866 1.00 0.00 N ATOM 0 H GLN R 98 31.953 16.909 16.531 1.00 0.00 H new ATOM 0 HA GLN R 98 34.679 17.400 16.962 1.00 0.00 H new ATOM 0 HB2 GLN R 98 33.018 14.886 17.555 1.00 0.00 H new ATOM 0 HB3 GLN R 98 34.480 15.355 18.401 1.00 0.00 H new ATOM 0 HG2 GLN R 98 32.912 17.682 18.532 1.00 0.00 H new ATOM 0 HG3 GLN R 98 31.723 16.406 18.701 1.00 0.00 H new ATOM 0 HE21 GLN R 98 34.085 18.232 20.384 1.00 0.00 H new ATOM 0 HE22 GLN R 98 34.183 17.223 21.831 1.00 0.00 H new ATOM 1531 N TRP R 99 34.210 14.673 15.162 1.00 0.00 N ATOM 1532 CA TRP R 99 34.947 13.782 14.217 1.00 0.00 C ATOM 1533 C TRP R 99 34.727 14.211 12.769 1.00 0.00 C ATOM 1534 O TRP R 99 35.655 14.397 12.016 1.00 0.00 O ATOM 1535 CB TRP R 99 34.433 12.333 14.314 1.00 0.00 C ATOM 1536 CG TRP R 99 35.227 11.522 13.309 1.00 0.00 C ATOM 1537 CD1 TRP R 99 36.552 11.289 13.401 1.00 0.00 C ATOM 1538 CD2 TRP R 99 34.701 10.843 12.303 1.00 0.00 C ATOM 1539 NE1 TRP R 99 36.772 10.415 12.419 1.00 0.00 N ATOM 1540 CE2 TRP R 99 35.682 10.087 11.699 1.00 0.00 C ATOM 1541 CE3 TRP R 99 33.401 10.786 11.819 1.00 0.00 C ATOM 1542 CZ2 TRP R 99 35.375 9.278 10.651 1.00 0.00 C ATOM 1543 CZ3 TRP R 99 33.103 9.970 10.764 1.00 0.00 C ATOM 1544 CH2 TRP R 99 34.089 9.216 10.187 1.00 0.00 C ATOM 0 H TRP R 99 33.232 14.433 15.327 1.00 0.00 H new ATOM 0 HA TRP R 99 36.000 13.850 14.491 1.00 0.00 H new ATOM 0 HB2 TRP R 99 34.569 11.941 15.322 1.00 0.00 H new ATOM 0 HB3 TRP R 99 33.366 12.285 14.094 1.00 0.00 H new ATOM 0 HD1 TRP R 99 37.261 11.708 14.099 1.00 0.00 H new ATOM 0 HE1 TRP R 99 37.695 10.025 12.228 1.00 0.00 H new ATOM 0 HE3 TRP R 99 32.627 11.385 12.275 1.00 0.00 H new ATOM 0 HZ2 TRP R 99 36.146 8.684 10.184 1.00 0.00 H new ATOM 0 HZ3 TRP R 99 32.092 9.920 10.387 1.00 0.00 H new ATOM 0 HH2 TRP R 99 33.850 8.566 9.358 1.00 0.00 H new ATOM 1555 N LEU R 100 33.488 14.335 12.412 1.00 0.00 N ATOM 1556 CA LEU R 100 33.149 14.744 11.022 1.00 0.00 C ATOM 1557 C LEU R 100 33.996 15.915 10.518 1.00 0.00 C ATOM 1558 O LEU R 100 34.563 15.844 9.447 1.00 0.00 O ATOM 1559 CB LEU R 100 31.679 15.142 10.990 1.00 0.00 C ATOM 1560 CG LEU R 100 31.121 14.803 9.607 1.00 0.00 C ATOM 1561 CD1 LEU R 100 30.646 13.349 9.594 1.00 0.00 C ATOM 1562 CD2 LEU R 100 29.941 15.716 9.306 1.00 0.00 C ATOM 0 H LEU R 100 32.688 14.171 13.023 1.00 0.00 H new ATOM 0 HA LEU R 100 33.356 13.899 10.365 1.00 0.00 H new ATOM 0 HB2 LEU R 100 31.125 14.611 11.764 1.00 0.00 H new ATOM 0 HB3 LEU R 100 31.569 16.207 11.193 1.00 0.00 H new ATOM 0 HG LEU R 100 31.898 14.942 8.855 1.00 0.00 H new ATOM 0 HD11 LEU R 100 30.248 13.105 8.609 1.00 0.00 H new ATOM 0 HD12 LEU R 100 31.485 12.690 9.820 1.00 0.00 H new ATOM 0 HD13 LEU R 100 29.867 13.214 10.344 1.00 0.00 H new ATOM 0 HD21 LEU R 100 29.539 15.479 8.321 1.00 0.00 H new ATOM 0 HD22 LEU R 100 29.166 15.570 10.059 1.00 0.00 H new ATOM 0 HD23 LEU R 100 30.271 16.755 9.322 1.00 0.00 H new ATOM 1574 N GLU R 101 34.076 16.974 11.282 1.00 0.00 N ATOM 1575 CA GLU R 101 34.891 18.131 10.819 1.00 0.00 C ATOM 1576 C GLU R 101 36.346 17.722 10.573 1.00 0.00 C ATOM 1577 O GLU R 101 37.159 18.539 10.188 1.00 0.00 O ATOM 1578 CB GLU R 101 34.856 19.228 11.894 1.00 0.00 C ATOM 1579 CG GLU R 101 35.063 20.586 11.222 1.00 0.00 C ATOM 1580 CD GLU R 101 35.754 21.539 12.200 1.00 0.00 C ATOM 1581 OE1 GLU R 101 36.919 21.295 12.461 1.00 0.00 O ATOM 1582 OE2 GLU R 101 35.075 22.458 12.631 1.00 0.00 O ATOM 0 H GLU R 101 33.621 17.085 12.188 1.00 0.00 H new ATOM 0 HA GLU R 101 34.472 18.495 9.881 1.00 0.00 H new ATOM 0 HB2 GLU R 101 33.902 19.209 12.421 1.00 0.00 H new ATOM 0 HB3 GLU R 101 35.634 19.053 12.637 1.00 0.00 H new ATOM 0 HG2 GLU R 101 35.667 20.470 10.322 1.00 0.00 H new ATOM 0 HG3 GLU R 101 34.104 21.000 10.911 1.00 0.00 H new ATOM 1589 N GLU R 102 36.640 16.464 10.795 1.00 0.00 N ATOM 1590 CA GLU R 102 38.033 15.972 10.581 1.00 0.00 C ATOM 1591 C GLU R 102 38.118 15.041 9.371 1.00 0.00 C ATOM 1592 O GLU R 102 39.111 15.026 8.672 1.00 0.00 O ATOM 1593 CB GLU R 102 38.467 15.192 11.835 1.00 0.00 C ATOM 1594 CG GLU R 102 38.166 16.041 13.071 1.00 0.00 C ATOM 1595 CD GLU R 102 38.952 15.498 14.265 1.00 0.00 C ATOM 1596 OE1 GLU R 102 38.557 14.447 14.741 1.00 0.00 O ATOM 1597 OE2 GLU R 102 39.903 16.167 14.637 1.00 0.00 O ATOM 0 H GLU R 102 35.976 15.759 11.115 1.00 0.00 H new ATOM 0 HA GLU R 102 38.682 16.829 10.399 1.00 0.00 H new ATOM 0 HB2 GLU R 102 37.936 14.242 11.891 1.00 0.00 H new ATOM 0 HB3 GLU R 102 39.531 14.960 11.786 1.00 0.00 H new ATOM 0 HG2 GLU R 102 38.437 17.081 12.886 1.00 0.00 H new ATOM 0 HG3 GLU R 102 37.098 16.023 13.287 1.00 0.00 H new ATOM 1604 N VAL R 103 37.073 14.286 9.138 1.00 0.00 N ATOM 1605 CA VAL R 103 37.091 13.353 7.975 1.00 0.00 C ATOM 1606 C VAL R 103 36.431 13.947 6.721 1.00 0.00 C ATOM 1607 O VAL R 103 36.758 13.560 5.617 1.00 0.00 O ATOM 1608 CB VAL R 103 36.331 12.079 8.376 1.00 0.00 C ATOM 1609 CG1 VAL R 103 34.828 12.337 8.304 1.00 0.00 C ATOM 1610 CG2 VAL R 103 36.690 10.948 7.410 1.00 0.00 C ATOM 0 H VAL R 103 36.219 14.276 9.696 1.00 0.00 H new ATOM 0 HA VAL R 103 38.132 13.149 7.725 1.00 0.00 H new ATOM 0 HB VAL R 103 36.607 11.799 9.393 1.00 0.00 H new ATOM 0 HG11 VAL R 103 34.290 11.433 8.589 1.00 0.00 H new ATOM 0 HG12 VAL R 103 34.565 13.146 8.986 1.00 0.00 H new ATOM 0 HG13 VAL R 103 34.555 12.617 7.286 1.00 0.00 H new ATOM 0 HG21 VAL R 103 36.152 10.043 7.693 1.00 0.00 H new ATOM 0 HG22 VAL R 103 36.411 11.234 6.396 1.00 0.00 H new ATOM 0 HG23 VAL R 103 37.763 10.760 7.452 1.00 0.00 H new ATOM 1620 N LEU R 104 35.524 14.872 6.899 1.00 0.00 N ATOM 1621 CA LEU R 104 34.861 15.468 5.702 1.00 0.00 C ATOM 1622 C LEU R 104 35.678 16.628 5.128 1.00 0.00 C ATOM 1623 O LEU R 104 35.563 16.947 3.963 1.00 0.00 O ATOM 1624 CB LEU R 104 33.476 16.000 6.109 1.00 0.00 C ATOM 1625 CG LEU R 104 32.389 15.356 5.232 1.00 0.00 C ATOM 1626 CD1 LEU R 104 32.148 13.921 5.698 1.00 0.00 C ATOM 1627 CD2 LEU R 104 31.087 16.148 5.368 1.00 0.00 C ATOM 0 H LEU R 104 35.218 15.235 7.802 1.00 0.00 H new ATOM 0 HA LEU R 104 34.775 14.693 4.941 1.00 0.00 H new ATOM 0 HB2 LEU R 104 33.286 15.779 7.159 1.00 0.00 H new ATOM 0 HB3 LEU R 104 33.447 17.084 6.001 1.00 0.00 H new ATOM 0 HG LEU R 104 32.715 15.359 4.192 1.00 0.00 H new ATOM 0 HD11 LEU R 104 31.378 13.462 5.078 1.00 0.00 H new ATOM 0 HD12 LEU R 104 33.072 13.350 5.611 1.00 0.00 H new ATOM 0 HD13 LEU R 104 31.822 13.926 6.738 1.00 0.00 H new ATOM 0 HD21 LEU R 104 30.317 15.691 4.746 1.00 0.00 H new ATOM 0 HD22 LEU R 104 30.764 16.141 6.409 1.00 0.00 H new ATOM 0 HD23 LEU R 104 31.251 17.176 5.046 1.00 0.00 H new ATOM 1639 N LEU R 105 36.488 17.239 5.950 1.00 0.00 N ATOM 1640 CA LEU R 105 37.307 18.377 5.445 1.00 0.00 C ATOM 1641 C LEU R 105 38.163 17.954 4.251 1.00 0.00 C ATOM 1642 O LEU R 105 38.306 18.695 3.298 1.00 0.00 O ATOM 1643 CB LEU R 105 38.234 18.849 6.575 1.00 0.00 C ATOM 1644 CG LEU R 105 38.889 20.177 6.178 1.00 0.00 C ATOM 1645 CD1 LEU R 105 38.013 21.338 6.655 1.00 0.00 C ATOM 1646 CD2 LEU R 105 40.261 20.278 6.846 1.00 0.00 C ATOM 0 H LEU R 105 36.617 17.004 6.934 1.00 0.00 H new ATOM 0 HA LEU R 105 36.638 19.176 5.125 1.00 0.00 H new ATOM 0 HB2 LEU R 105 37.667 18.973 7.497 1.00 0.00 H new ATOM 0 HB3 LEU R 105 38.999 18.098 6.770 1.00 0.00 H new ATOM 0 HG LEU R 105 38.999 20.222 5.095 1.00 0.00 H new ATOM 0 HD11 LEU R 105 38.477 22.283 6.374 1.00 0.00 H new ATOM 0 HD12 LEU R 105 37.029 21.265 6.192 1.00 0.00 H new ATOM 0 HD13 LEU R 105 37.909 21.294 7.739 1.00 0.00 H new ATOM 0 HD21 LEU R 105 40.733 21.220 6.568 1.00 0.00 H new ATOM 0 HD22 LEU R 105 40.142 20.237 7.929 1.00 0.00 H new ATOM 0 HD23 LEU R 105 40.887 19.448 6.518 1.00 0.00 H new ATOM 1871 N HIS S 16 24.648 0.651 -4.641 1.00 0.00 N ATOM 1872 CA HIS S 16 25.967 0.404 -3.999 1.00 0.00 C ATOM 1873 C HIS S 16 26.759 1.703 -3.910 1.00 0.00 C ATOM 1874 O HIS S 16 27.962 1.693 -3.749 1.00 0.00 O ATOM 1875 CB HIS S 16 26.749 -0.594 -4.859 1.00 0.00 C ATOM 1876 CG HIS S 16 26.113 -1.981 -4.738 1.00 0.00 C ATOM 1877 ND1 HIS S 16 26.308 -2.790 -3.782 1.00 0.00 N ATOM 1878 CD2 HIS S 16 25.244 -2.639 -5.591 1.00 0.00 C ATOM 1879 CE1 HIS S 16 25.650 -3.873 -3.966 1.00 0.00 C ATOM 1880 NE2 HIS S 16 24.953 -3.850 -5.091 1.00 0.00 N ATOM 0 HA HIS S 16 25.813 0.010 -2.995 1.00 0.00 H new ATOM 0 HB2 HIS S 16 26.748 -0.272 -5.900 1.00 0.00 H new ATOM 0 HB3 HIS S 16 27.790 -0.630 -4.537 1.00 0.00 H new ATOM 0 HD2 HIS S 16 24.859 -2.239 -6.517 1.00 0.00 H new ATOM 0 HE1 HIS S 16 25.662 -4.709 -3.282 1.00 0.00 H new ATOM 0 HE2 HIS S 16 24.347 -4.572 -5.480 1.00 0.00 H new ATOM 1888 N GLN S 17 26.064 2.797 -4.020 1.00 0.00 N ATOM 1889 CA GLN S 17 26.747 4.109 -3.946 1.00 0.00 C ATOM 1890 C GLN S 17 26.782 4.611 -2.505 1.00 0.00 C ATOM 1891 O GLN S 17 27.835 4.739 -1.914 1.00 0.00 O ATOM 1892 CB GLN S 17 25.952 5.094 -4.805 1.00 0.00 C ATOM 1893 CG GLN S 17 26.293 6.520 -4.384 1.00 0.00 C ATOM 1894 CD GLN S 17 26.002 7.467 -5.548 1.00 0.00 C ATOM 1895 OE1 GLN S 17 25.367 7.101 -6.516 1.00 0.00 O ATOM 1896 NE2 GLN S 17 26.450 8.690 -5.493 1.00 0.00 N ATOM 0 H GLN S 17 25.054 2.837 -4.158 1.00 0.00 H new ATOM 0 HA GLN S 17 27.773 4.016 -4.302 1.00 0.00 H new ATOM 0 HB2 GLN S 17 26.188 4.948 -5.859 1.00 0.00 H new ATOM 0 HB3 GLN S 17 24.883 4.914 -4.690 1.00 0.00 H new ATOM 0 HG2 GLN S 17 25.706 6.805 -3.511 1.00 0.00 H new ATOM 0 HG3 GLN S 17 27.343 6.587 -4.098 1.00 0.00 H new ATOM 0 HE21 GLN S 17 26.984 9.002 -4.682 1.00 0.00 H new ATOM 0 HE22 GLN S 17 26.267 9.335 -6.261 1.00 0.00 H new ATOM 1905 N GLU S 18 25.626 4.887 -1.968 1.00 0.00 N ATOM 1906 CA GLU S 18 25.566 5.380 -0.567 1.00 0.00 C ATOM 1907 C GLU S 18 26.084 4.308 0.390 1.00 0.00 C ATOM 1908 O GLU S 18 26.716 4.602 1.391 1.00 0.00 O ATOM 1909 CB GLU S 18 24.102 5.682 -0.228 1.00 0.00 C ATOM 1910 CG GLU S 18 23.205 4.661 -0.934 1.00 0.00 C ATOM 1911 CD GLU S 18 21.831 4.641 -0.263 1.00 0.00 C ATOM 1912 OE1 GLU S 18 21.498 5.662 0.316 1.00 0.00 O ATOM 1913 OE2 GLU S 18 21.191 3.608 -0.370 1.00 0.00 O ATOM 0 H GLU S 18 24.725 4.793 -2.437 1.00 0.00 H new ATOM 0 HA GLU S 18 26.181 6.274 -0.466 1.00 0.00 H new ATOM 0 HB2 GLU S 18 23.948 5.636 0.850 1.00 0.00 H new ATOM 0 HB3 GLU S 18 23.843 6.693 -0.544 1.00 0.00 H new ATOM 0 HG2 GLU S 18 23.103 4.918 -1.988 1.00 0.00 H new ATOM 0 HG3 GLU S 18 23.658 3.671 -0.890 1.00 0.00 H new ATOM 1920 N TRP S 19 25.802 3.081 0.046 1.00 0.00 N ATOM 1921 CA TRP S 19 26.243 1.934 0.885 1.00 0.00 C ATOM 1922 C TRP S 19 27.748 1.995 1.174 1.00 0.00 C ATOM 1923 O TRP S 19 28.151 2.223 2.295 1.00 0.00 O ATOM 1924 CB TRP S 19 25.938 0.657 0.093 1.00 0.00 C ATOM 1925 CG TRP S 19 26.146 -0.577 0.970 1.00 0.00 C ATOM 1926 CD1 TRP S 19 27.257 -1.335 0.967 1.00 0.00 C ATOM 1927 CD2 TRP S 19 25.237 -1.102 1.797 1.00 0.00 C ATOM 1928 NE1 TRP S 19 26.970 -2.321 1.810 1.00 0.00 N ATOM 1929 CE2 TRP S 19 25.740 -2.257 2.367 1.00 0.00 C ATOM 1930 CE3 TRP S 19 23.954 -0.687 2.120 1.00 0.00 C ATOM 1931 CZ2 TRP S 19 24.979 -2.989 3.242 1.00 0.00 C ATOM 1932 CZ3 TRP S 19 23.191 -1.430 2.997 1.00 0.00 C ATOM 1933 CH2 TRP S 19 23.705 -2.581 3.557 1.00 0.00 C ATOM 0 H TRP S 19 25.279 2.823 -0.791 1.00 0.00 H new ATOM 0 HA TRP S 19 25.722 1.958 1.842 1.00 0.00 H new ATOM 0 HB2 TRP S 19 24.911 0.684 -0.270 1.00 0.00 H new ATOM 0 HB3 TRP S 19 26.585 0.602 -0.783 1.00 0.00 H new ATOM 0 HD1 TRP S 19 28.169 -1.179 0.410 1.00 0.00 H new ATOM 0 HE1 TRP S 19 27.629 -3.071 2.021 1.00 0.00 H new ATOM 0 HE3 TRP S 19 23.553 0.217 1.686 1.00 0.00 H new ATOM 0 HZ2 TRP S 19 25.382 -3.888 3.685 1.00 0.00 H new ATOM 0 HZ3 TRP S 19 22.190 -1.110 3.245 1.00 0.00 H new ATOM 0 HH2 TRP S 19 23.106 -3.162 4.243 1.00 0.00 H new ATOM 1944 N LEU S 20 28.551 1.804 0.156 1.00 0.00 N ATOM 1945 CA LEU S 20 30.031 1.847 0.365 1.00 0.00 C ATOM 1946 C LEU S 20 30.509 3.219 0.843 1.00 0.00 C ATOM 1947 O LEU S 20 31.416 3.311 1.647 1.00 0.00 O ATOM 1948 CB LEU S 20 30.732 1.540 -0.971 1.00 0.00 C ATOM 1949 CG LEU S 20 30.426 0.101 -1.410 1.00 0.00 C ATOM 1950 CD1 LEU S 20 30.695 -0.030 -2.909 1.00 0.00 C ATOM 1951 CD2 LEU S 20 31.330 -0.888 -0.659 1.00 0.00 C ATOM 0 H LEU S 20 28.249 1.622 -0.801 1.00 0.00 H new ATOM 0 HA LEU S 20 30.275 1.110 1.130 1.00 0.00 H new ATOM 0 HB2 LEU S 20 30.397 2.241 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU S 20 31.808 1.675 -0.865 1.00 0.00 H new ATOM 0 HG LEU S 20 29.383 -0.124 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU S 20 30.480 -1.049 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU S 20 30.057 0.664 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU S 20 31.740 0.202 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU S 20 31.103 -1.905 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU S 20 32.374 -0.664 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU S 20 31.156 -0.798 0.413 1.00 0.00 H new ATOM 1963 N ARG S 21 29.903 4.257 0.343 1.00 0.00 N ATOM 1964 CA ARG S 21 30.327 5.619 0.769 1.00 0.00 C ATOM 1965 C ARG S 21 30.394 5.748 2.289 1.00 0.00 C ATOM 1966 O ARG S 21 31.459 5.691 2.869 1.00 0.00 O ATOM 1967 CB ARG S 21 29.311 6.638 0.244 1.00 0.00 C ATOM 1968 CG ARG S 21 29.560 6.875 -1.248 1.00 0.00 C ATOM 1969 CD ARG S 21 30.364 8.166 -1.428 1.00 0.00 C ATOM 1970 NE ARG S 21 30.872 8.226 -2.829 1.00 0.00 N ATOM 1971 CZ ARG S 21 31.835 9.057 -3.131 1.00 0.00 C ATOM 1972 NH1 ARG S 21 33.046 8.788 -2.732 1.00 0.00 N ATOM 1973 NH2 ARG S 21 31.551 10.122 -3.830 1.00 0.00 N ATOM 0 H ARG S 21 29.141 4.224 -0.334 1.00 0.00 H new ATOM 0 HA ARG S 21 31.323 5.801 0.365 1.00 0.00 H new ATOM 0 HB2 ARG S 21 28.296 6.272 0.402 1.00 0.00 H new ATOM 0 HB3 ARG S 21 29.401 7.575 0.793 1.00 0.00 H new ATOM 0 HG2 ARG S 21 30.103 6.032 -1.676 1.00 0.00 H new ATOM 0 HG3 ARG S 21 28.611 6.947 -1.780 1.00 0.00 H new ATOM 0 HD2 ARG S 21 29.738 9.033 -1.216 1.00 0.00 H new ATOM 0 HD3 ARG S 21 31.196 8.194 -0.724 1.00 0.00 H new ATOM 0 HE ARG S 21 30.471 7.623 -3.547 1.00 0.00 H new ATOM 0 HH11 ARG S 21 33.229 7.941 -2.194 1.00 0.00 H new ATOM 0 HH12 ARG S 21 33.811 9.424 -2.958 1.00 0.00 H new ATOM 0 HH21 ARG S 21 30.592 10.294 -4.131 1.00 0.00 H new ATOM 0 HH22 ARG S 21 32.288 10.782 -4.076 1.00 0.00 H new ATOM 1987 N PHE S 22 29.251 5.908 2.907 1.00 0.00 N ATOM 1988 CA PHE S 22 29.225 6.048 4.393 1.00 0.00 C ATOM 1989 C PHE S 22 29.854 4.855 5.112 1.00 0.00 C ATOM 1990 O PHE S 22 30.670 5.025 5.994 1.00 0.00 O ATOM 1991 CB PHE S 22 27.762 6.159 4.839 1.00 0.00 C ATOM 1992 CG PHE S 22 27.631 5.593 6.254 1.00 0.00 C ATOM 1993 CD1 PHE S 22 28.163 6.276 7.336 1.00 0.00 C ATOM 1994 CD2 PHE S 22 26.983 4.393 6.472 1.00 0.00 C ATOM 1995 CE1 PHE S 22 28.048 5.763 8.612 1.00 0.00 C ATOM 1996 CE2 PHE S 22 26.871 3.879 7.748 1.00 0.00 C ATOM 1997 CZ PHE S 22 27.402 4.566 8.818 1.00 0.00 C ATOM 0 H PHE S 22 28.340 5.947 2.449 1.00 0.00 H new ATOM 0 HA PHE S 22 29.805 6.934 4.652 1.00 0.00 H new ATOM 0 HB2 PHE S 22 27.440 7.200 4.818 1.00 0.00 H new ATOM 0 HB3 PHE S 22 27.116 5.611 4.153 1.00 0.00 H new ATOM 0 HD1 PHE S 22 28.671 7.216 7.180 1.00 0.00 H new ATOM 0 HD2 PHE S 22 26.561 3.853 5.638 1.00 0.00 H new ATOM 0 HE1 PHE S 22 28.466 6.302 9.450 1.00 0.00 H new ATOM 0 HE2 PHE S 22 26.367 2.937 7.908 1.00 0.00 H new ATOM 0 HZ PHE S 22 27.311 4.165 9.817 1.00 0.00 H new ATOM 2007 N VAL S 23 29.450 3.676 4.743 1.00 0.00 N ATOM 2008 CA VAL S 23 30.016 2.465 5.395 1.00 0.00 C ATOM 2009 C VAL S 23 31.529 2.576 5.628 1.00 0.00 C ATOM 2010 O VAL S 23 32.019 2.224 6.682 1.00 0.00 O ATOM 2011 CB VAL S 23 29.759 1.268 4.477 1.00 0.00 C ATOM 2012 CG1 VAL S 23 30.605 0.088 4.949 1.00 0.00 C ATOM 2013 CG2 VAL S 23 28.277 0.888 4.546 1.00 0.00 C ATOM 0 H VAL S 23 28.754 3.497 4.020 1.00 0.00 H new ATOM 0 HA VAL S 23 29.536 2.351 6.367 1.00 0.00 H new ATOM 0 HB VAL S 23 30.023 1.525 3.451 1.00 0.00 H new ATOM 0 HG11 VAL S 23 30.428 -0.770 4.300 1.00 0.00 H new ATOM 0 HG12 VAL S 23 31.660 0.359 4.912 1.00 0.00 H new ATOM 0 HG13 VAL S 23 30.332 -0.169 5.972 1.00 0.00 H new ATOM 0 HG21 VAL S 23 28.089 0.035 3.893 1.00 0.00 H new ATOM 0 HG22 VAL S 23 28.016 0.625 5.571 1.00 0.00 H new ATOM 0 HG23 VAL S 23 27.669 1.733 4.223 1.00 0.00 H new ATOM 2023 N ASP S 24 32.235 3.071 4.647 1.00 0.00 N ATOM 2024 CA ASP S 24 33.715 3.208 4.794 1.00 0.00 C ATOM 2025 C ASP S 24 34.101 4.248 5.846 1.00 0.00 C ATOM 2026 O ASP S 24 35.181 4.197 6.405 1.00 0.00 O ATOM 2027 CB ASP S 24 34.282 3.645 3.441 1.00 0.00 C ATOM 2028 CG ASP S 24 35.803 3.764 3.544 1.00 0.00 C ATOM 2029 OD1 ASP S 24 36.230 4.716 4.176 1.00 0.00 O ATOM 2030 OD2 ASP S 24 36.449 2.893 2.987 1.00 0.00 O ATOM 0 H ASP S 24 31.855 3.385 3.754 1.00 0.00 H new ATOM 0 HA ASP S 24 34.119 2.249 5.117 1.00 0.00 H new ATOM 0 HB2 ASP S 24 34.014 2.922 2.671 1.00 0.00 H new ATOM 0 HB3 ASP S 24 33.850 4.601 3.145 1.00 0.00 H new ATOM 2035 N LEU S 25 33.220 5.170 6.087 1.00 0.00 N ATOM 2036 CA LEU S 25 33.512 6.224 7.095 1.00 0.00 C ATOM 2037 C LEU S 25 33.240 5.716 8.508 1.00 0.00 C ATOM 2038 O LEU S 25 33.918 6.080 9.449 1.00 0.00 O ATOM 2039 CB LEU S 25 32.585 7.413 6.807 1.00 0.00 C ATOM 2040 CG LEU S 25 32.539 7.645 5.297 1.00 0.00 C ATOM 2041 CD1 LEU S 25 31.706 8.889 5.000 1.00 0.00 C ATOM 2042 CD2 LEU S 25 33.964 7.853 4.784 1.00 0.00 C ATOM 0 H LEU S 25 32.310 5.242 5.632 1.00 0.00 H new ATOM 0 HA LEU S 25 34.562 6.510 7.030 1.00 0.00 H new ATOM 0 HB2 LEU S 25 31.584 7.213 7.189 1.00 0.00 H new ATOM 0 HB3 LEU S 25 32.947 8.306 7.316 1.00 0.00 H new ATOM 0 HG LEU S 25 32.090 6.783 4.803 1.00 0.00 H new ATOM 0 HD11 LEU S 25 31.672 9.056 3.923 1.00 0.00 H new ATOM 0 HD12 LEU S 25 30.693 8.747 5.377 1.00 0.00 H new ATOM 0 HD13 LEU S 25 32.157 9.754 5.487 1.00 0.00 H new ATOM 0 HD21 LEU S 25 33.942 8.019 3.707 1.00 0.00 H new ATOM 0 HD22 LEU S 25 34.405 8.720 5.276 1.00 0.00 H new ATOM 0 HD23 LEU S 25 34.562 6.968 5.002 1.00 0.00 H new ATOM 2054 N LEU S 26 32.250 4.879 8.622 1.00 0.00 N ATOM 2055 CA LEU S 26 31.892 4.319 9.951 1.00 0.00 C ATOM 2056 C LEU S 26 33.117 3.746 10.678 1.00 0.00 C ATOM 2057 O LEU S 26 33.370 4.073 11.824 1.00 0.00 O ATOM 2058 CB LEU S 26 30.868 3.200 9.705 1.00 0.00 C ATOM 2059 CG LEU S 26 30.436 2.551 11.025 1.00 0.00 C ATOM 2060 CD1 LEU S 26 29.950 3.621 12.009 1.00 0.00 C ATOM 2061 CD2 LEU S 26 29.282 1.584 10.733 1.00 0.00 C ATOM 0 H LEU S 26 31.670 4.557 7.847 1.00 0.00 H new ATOM 0 HA LEU S 26 31.486 5.108 10.584 1.00 0.00 H new ATOM 0 HB2 LEU S 26 29.996 3.606 9.193 1.00 0.00 H new ATOM 0 HB3 LEU S 26 31.300 2.445 9.048 1.00 0.00 H new ATOM 0 HG LEU S 26 31.282 2.024 11.465 1.00 0.00 H new ATOM 0 HD11 LEU S 26 29.646 3.146 12.942 1.00 0.00 H new ATOM 0 HD12 LEU S 26 30.757 4.327 12.207 1.00 0.00 H new ATOM 0 HD13 LEU S 26 29.101 4.152 11.579 1.00 0.00 H new ATOM 0 HD21 LEU S 26 28.960 1.111 11.661 1.00 0.00 H new ATOM 0 HD22 LEU S 26 28.448 2.134 10.297 1.00 0.00 H new ATOM 0 HD23 LEU S 26 29.617 0.818 10.033 1.00 0.00 H new ATOM 2073 N LYS S 27 33.860 2.912 10.001 1.00 0.00 N ATOM 2074 CA LYS S 27 35.064 2.317 10.656 1.00 0.00 C ATOM 2075 C LYS S 27 36.164 3.357 10.905 1.00 0.00 C ATOM 2076 O LYS S 27 36.964 3.195 11.804 1.00 0.00 O ATOM 2077 CB LYS S 27 35.640 1.189 9.774 1.00 0.00 C ATOM 2078 CG LYS S 27 35.402 1.474 8.284 1.00 0.00 C ATOM 2079 CD LYS S 27 36.045 0.349 7.456 1.00 0.00 C ATOM 2080 CE LYS S 27 36.883 0.942 6.315 1.00 0.00 C ATOM 2081 NZ LYS S 27 37.665 -0.128 5.637 1.00 0.00 N ATOM 0 H LYS S 27 33.691 2.620 9.039 1.00 0.00 H new ATOM 0 HA LYS S 27 34.740 1.924 11.620 1.00 0.00 H new ATOM 0 HB2 LYS S 27 36.709 1.087 9.961 1.00 0.00 H new ATOM 0 HB3 LYS S 27 35.177 0.240 10.044 1.00 0.00 H new ATOM 0 HG2 LYS S 27 34.333 1.532 8.077 1.00 0.00 H new ATOM 0 HG3 LYS S 27 35.832 2.437 8.010 1.00 0.00 H new ATOM 0 HD2 LYS S 27 36.675 -0.269 8.096 1.00 0.00 H new ATOM 0 HD3 LYS S 27 35.270 -0.300 7.048 1.00 0.00 H new ATOM 0 HE2 LYS S 27 36.231 1.437 5.595 1.00 0.00 H new ATOM 0 HE3 LYS S 27 37.559 1.702 6.708 1.00 0.00 H new ATOM 0 HZ1 LYS S 27 38.227 0.288 4.867 1.00 0.00 H new ATOM 0 HZ2 LYS S 27 38.301 -0.582 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS S 27 37.014 -0.839 5.246 1.00 0.00 H new ATOM 2095 N ASN S 28 36.201 4.397 10.114 1.00 0.00 N ATOM 2096 CA ASN S 28 37.260 5.429 10.334 1.00 0.00 C ATOM 2097 C ASN S 28 36.999 6.207 11.618 1.00 0.00 C ATOM 2098 O ASN S 28 37.915 6.631 12.300 1.00 0.00 O ATOM 2099 CB ASN S 28 37.235 6.419 9.168 1.00 0.00 C ATOM 2100 CG ASN S 28 37.798 5.740 7.921 1.00 0.00 C ATOM 2101 OD1 ASN S 28 38.772 5.018 7.982 1.00 0.00 O ATOM 2102 ND2 ASN S 28 37.213 5.939 6.774 1.00 0.00 N ATOM 0 H ASN S 28 35.560 4.576 9.341 1.00 0.00 H new ATOM 0 HA ASN S 28 38.224 4.926 10.406 1.00 0.00 H new ATOM 0 HB2 ASN S 28 36.215 6.757 8.984 1.00 0.00 H new ATOM 0 HB3 ASN S 28 37.824 7.303 9.413 1.00 0.00 H new ATOM 0 HD21 ASN S 28 37.574 5.489 5.933 1.00 0.00 H new ATOM 0 HD22 ASN S 28 36.394 6.545 6.717 1.00 0.00 H new ATOM 2109 N ALA S 29 35.744 6.376 11.918 1.00 0.00 N ATOM 2110 CA ALA S 29 35.369 7.119 13.142 1.00 0.00 C ATOM 2111 C ALA S 29 35.457 6.230 14.370 1.00 0.00 C ATOM 2112 O ALA S 29 35.663 6.706 15.472 1.00 0.00 O ATOM 2113 CB ALA S 29 33.912 7.577 12.988 1.00 0.00 C ATOM 0 H ALA S 29 34.961 6.029 11.364 1.00 0.00 H new ATOM 0 HA ALA S 29 36.050 7.961 13.269 1.00 0.00 H new ATOM 0 HB1 ALA S 29 33.608 8.129 13.878 1.00 0.00 H new ATOM 0 HB2 ALA S 29 33.824 8.222 12.114 1.00 0.00 H new ATOM 0 HB3 ALA S 29 33.268 6.706 12.863 1.00 0.00 H new ATOM 2119 N TYR S 30 35.287 4.955 14.170 1.00 0.00 N ATOM 2120 CA TYR S 30 35.358 4.043 15.322 1.00 0.00 C ATOM 2121 C TYR S 30 36.714 4.091 16.018 1.00 0.00 C ATOM 2122 O TYR S 30 36.851 4.874 16.953 1.00 0.00 O ATOM 2123 CB TYR S 30 35.029 2.607 14.865 1.00 0.00 C ATOM 2124 CG TYR S 30 34.051 2.017 15.875 1.00 0.00 C ATOM 2125 CD1 TYR S 30 34.423 1.877 17.196 1.00 0.00 C ATOM 2126 CD2 TYR S 30 32.782 1.638 15.494 1.00 0.00 C ATOM 2127 CE1 TYR S 30 33.537 1.368 18.123 1.00 0.00 C ATOM 2128 CE2 TYR S 30 31.895 1.130 16.419 1.00 0.00 C ATOM 2129 CZ TYR S 30 32.264 0.993 17.742 1.00 0.00 C ATOM 2130 OH TYR S 30 31.374 0.484 18.667 1.00 0.00 O ATOM 0 H TYR S 30 35.105 4.517 13.267 1.00 0.00 H new ATOM 0 HA TYR S 30 34.620 4.372 16.054 1.00 0.00 H new ATOM 0 HB2 TYR S 30 34.592 2.613 13.867 1.00 0.00 H new ATOM 0 HB3 TYR S 30 35.936 2.004 14.812 1.00 0.00 H new ATOM 0 HD1 TYR S 30 35.415 2.168 17.507 1.00 0.00 H new ATOM 0 HD2 TYR S 30 32.480 1.740 14.462 1.00 0.00 H new ATOM 0 HE1 TYR S 30 33.841 1.262 19.154 1.00 0.00 H new ATOM 0 HE2 TYR S 30 30.904 0.837 16.106 1.00 0.00 H new ATOM 0 HH TYR S 30 30.859 1.217 19.063 1.00 0.00 H new ATOM 2140 N GLN S 31 37.685 3.347 15.467 1.00 0.00 N ATOM 2141 CA GLN S 31 39.092 3.273 16.038 1.00 0.00 C ATOM 2142 C GLN S 31 39.395 4.441 16.944 1.00 0.00 C ATOM 2143 O GLN S 31 39.924 4.292 18.029 1.00 0.00 O ATOM 2144 CB GLN S 31 40.117 3.261 14.897 1.00 0.00 C ATOM 2145 CG GLN S 31 39.674 4.195 13.769 1.00 0.00 C ATOM 2146 CD GLN S 31 40.818 4.325 12.766 1.00 0.00 C ATOM 2147 OE1 GLN S 31 40.714 3.924 11.622 1.00 0.00 O ATOM 2148 NE2 GLN S 31 41.929 4.882 13.159 1.00 0.00 N ATOM 0 H GLN S 31 37.550 2.780 14.630 1.00 0.00 H new ATOM 0 HA GLN S 31 39.156 2.355 16.623 1.00 0.00 H new ATOM 0 HB2 GLN S 31 41.092 3.572 15.273 1.00 0.00 H new ATOM 0 HB3 GLN S 31 40.232 2.247 14.514 1.00 0.00 H new ATOM 0 HG2 GLN S 31 38.784 3.800 13.279 1.00 0.00 H new ATOM 0 HG3 GLN S 31 39.410 5.173 14.170 1.00 0.00 H new ATOM 0 HE21 GLN S 31 42.019 5.219 14.117 1.00 0.00 H new ATOM 0 HE22 GLN S 31 42.708 4.981 12.508 1.00 0.00 H new ATOM 2157 N ASN S 32 39.053 5.577 16.461 1.00 0.00 N ATOM 2158 CA ASN S 32 39.258 6.835 17.198 1.00 0.00 C ATOM 2159 C ASN S 32 38.151 6.899 18.196 1.00 0.00 C ATOM 2160 O ASN S 32 37.848 7.938 18.715 1.00 0.00 O ATOM 2161 CB ASN S 32 39.096 8.001 16.259 1.00 0.00 C ATOM 2162 CG ASN S 32 40.181 7.937 15.175 1.00 0.00 C ATOM 2163 OD1 ASN S 32 39.965 8.307 14.037 1.00 0.00 O ATOM 2164 ND2 ASN S 32 41.358 7.468 15.494 1.00 0.00 N ATOM 0 H ASN S 32 38.620 5.695 15.545 1.00 0.00 H new ATOM 0 HA ASN S 32 40.248 6.872 17.653 1.00 0.00 H new ATOM 0 HB2 ASN S 32 38.107 7.979 15.801 1.00 0.00 H new ATOM 0 HB3 ASN S 32 39.171 8.939 16.810 1.00 0.00 H new ATOM 0 HD21 ASN S 32 42.093 7.413 14.789 1.00 0.00 H new ATOM 0 HD22 ASN S 32 41.542 7.157 16.448 1.00 0.00 H new ATOM 2171 N ASP S 33 37.714 5.726 18.535 1.00 0.00 N ATOM 2172 CA ASP S 33 36.614 5.486 19.485 1.00 0.00 C ATOM 2173 C ASP S 33 35.790 6.703 19.852 1.00 0.00 C ATOM 2174 O ASP S 33 35.138 6.719 20.878 1.00 0.00 O ATOM 2175 CB ASP S 33 37.350 5.051 20.715 1.00 0.00 C ATOM 2176 CG ASP S 33 37.174 3.547 20.939 1.00 0.00 C ATOM 2177 OD1 ASP S 33 36.032 3.126 20.925 1.00 0.00 O ATOM 2178 OD2 ASP S 33 38.195 2.904 21.118 1.00 0.00 O ATOM 0 H ASP S 33 38.111 4.865 18.159 1.00 0.00 H new ATOM 0 HA ASP S 33 35.897 4.788 19.053 1.00 0.00 H new ATOM 0 HB2 ASP S 33 38.409 5.289 20.616 1.00 0.00 H new ATOM 0 HB3 ASP S 33 36.980 5.600 21.581 1.00 0.00 H new ATOM 2183 N LEU S 34 35.793 7.676 18.988 1.00 0.00 N ATOM 2184 CA LEU S 34 34.995 8.897 19.306 1.00 0.00 C ATOM 2185 C LEU S 34 33.711 8.882 18.506 1.00 0.00 C ATOM 2186 O LEU S 34 32.924 9.798 18.568 1.00 0.00 O ATOM 2187 CB LEU S 34 35.833 10.175 19.051 1.00 0.00 C ATOM 2188 CG LEU S 34 35.531 10.844 17.703 1.00 0.00 C ATOM 2189 CD1 LEU S 34 36.436 12.076 17.602 1.00 0.00 C ATOM 2190 CD2 LEU S 34 35.841 9.876 16.554 1.00 0.00 C ATOM 0 H LEU S 34 36.296 7.686 18.101 1.00 0.00 H new ATOM 0 HA LEU S 34 34.731 8.900 20.363 1.00 0.00 H new ATOM 0 HB2 LEU S 34 35.645 10.889 19.853 1.00 0.00 H new ATOM 0 HB3 LEU S 34 36.892 9.920 19.092 1.00 0.00 H new ATOM 0 HG LEU S 34 34.479 11.123 17.636 1.00 0.00 H new ATOM 0 HD11 LEU S 34 36.254 12.584 16.655 1.00 0.00 H new ATOM 0 HD12 LEU S 34 36.219 12.755 18.426 1.00 0.00 H new ATOM 0 HD13 LEU S 34 37.480 11.766 17.653 1.00 0.00 H new ATOM 0 HD21 LEU S 34 35.623 10.360 15.602 1.00 0.00 H new ATOM 0 HD22 LEU S 34 36.894 9.597 16.587 1.00 0.00 H new ATOM 0 HD23 LEU S 34 35.226 8.982 16.655 1.00 0.00 H new ATOM 2202 N HIS S 35 33.534 7.806 17.788 1.00 0.00 N ATOM 2203 CA HIS S 35 32.311 7.640 16.944 1.00 0.00 C ATOM 2204 C HIS S 35 31.010 7.632 17.755 1.00 0.00 C ATOM 2205 O HIS S 35 30.009 7.119 17.292 1.00 0.00 O ATOM 2206 CB HIS S 35 32.421 6.261 16.324 1.00 0.00 C ATOM 2207 CG HIS S 35 32.476 5.251 17.473 1.00 0.00 C ATOM 2208 ND1 HIS S 35 33.538 4.873 18.052 1.00 0.00 N ATOM 2209 CD2 HIS S 35 31.454 4.624 18.161 1.00 0.00 C ATOM 2210 CE1 HIS S 35 33.271 4.082 19.019 1.00 0.00 C ATOM 2211 NE2 HIS S 35 31.969 3.877 19.151 1.00 0.00 N ATOM 0 H HIS S 35 34.190 7.026 17.748 1.00 0.00 H new ATOM 0 HA HIS S 35 32.268 8.469 16.238 1.00 0.00 H new ATOM 0 HB2 HIS S 35 31.567 6.061 15.677 1.00 0.00 H new ATOM 0 HB3 HIS S 35 33.315 6.188 15.704 1.00 0.00 H new ATOM 0 HD2 HIS S 35 30.402 4.720 17.937 1.00 0.00 H new ATOM 0 HE1 HIS S 35 34.020 3.633 19.655 1.00 0.00 H new ATOM 0 HE2 HIS S 35 31.480 3.297 19.833 1.00 0.00 H new ATOM 2219 N LEU S 36 31.027 8.186 18.933 1.00 0.00 N ATOM 2220 CA LEU S 36 29.775 8.184 19.731 1.00 0.00 C ATOM 2221 C LEU S 36 28.663 9.079 19.150 1.00 0.00 C ATOM 2222 O LEU S 36 27.510 8.705 19.184 1.00 0.00 O ATOM 2223 CB LEU S 36 30.085 8.646 21.162 1.00 0.00 C ATOM 2224 CG LEU S 36 29.255 7.799 22.151 1.00 0.00 C ATOM 2225 CD1 LEU S 36 29.761 6.334 22.142 1.00 0.00 C ATOM 2226 CD2 LEU S 36 29.347 8.411 23.564 1.00 0.00 C ATOM 0 H LEU S 36 31.835 8.631 19.369 1.00 0.00 H new ATOM 0 HA LEU S 36 29.400 7.161 19.711 1.00 0.00 H new ATOM 0 HB2 LEU S 36 31.149 8.536 21.372 1.00 0.00 H new ATOM 0 HB3 LEU S 36 29.845 9.703 21.277 1.00 0.00 H new ATOM 0 HG LEU S 36 28.209 7.799 21.845 1.00 0.00 H new ATOM 0 HD11 LEU S 36 29.172 5.741 22.842 1.00 0.00 H new ATOM 0 HD12 LEU S 36 29.658 5.920 21.139 1.00 0.00 H new ATOM 0 HD13 LEU S 36 30.809 6.309 22.439 1.00 0.00 H new ATOM 0 HD21 LEU S 36 28.760 7.811 24.259 1.00 0.00 H new ATOM 0 HD22 LEU S 36 30.388 8.426 23.887 1.00 0.00 H new ATOM 0 HD23 LEU S 36 28.958 9.429 23.546 1.00 0.00 H new ATOM 2238 N PRO S 37 29.004 10.236 18.614 1.00 0.00 N ATOM 2239 CA PRO S 37 27.986 11.130 18.046 1.00 0.00 C ATOM 2240 C PRO S 37 27.311 10.463 16.854 1.00 0.00 C ATOM 2241 O PRO S 37 26.154 10.104 16.931 1.00 0.00 O ATOM 2242 CB PRO S 37 28.756 12.378 17.599 1.00 0.00 C ATOM 2243 CG PRO S 37 30.245 12.159 17.959 1.00 0.00 C ATOM 2244 CD PRO S 37 30.385 10.723 18.472 1.00 0.00 C ATOM 0 HA PRO S 37 27.201 11.372 18.763 1.00 0.00 H new ATOM 0 HB2 PRO S 37 28.640 12.537 16.527 1.00 0.00 H new ATOM 0 HB3 PRO S 37 28.368 13.267 18.097 1.00 0.00 H new ATOM 0 HG2 PRO S 37 30.878 12.318 17.086 1.00 0.00 H new ATOM 0 HG3 PRO S 37 30.565 12.871 18.720 1.00 0.00 H new ATOM 0 HD2 PRO S 37 30.951 10.107 17.773 1.00 0.00 H new ATOM 0 HD3 PRO S 37 30.914 10.693 19.424 1.00 0.00 H new ATOM 2252 N LEU S 38 28.036 10.315 15.769 1.00 0.00 N ATOM 2253 CA LEU S 38 27.425 9.666 14.582 1.00 0.00 C ATOM 2254 C LEU S 38 26.665 8.441 15.037 1.00 0.00 C ATOM 2255 O LEU S 38 25.531 8.224 14.657 1.00 0.00 O ATOM 2256 CB LEU S 38 28.545 9.209 13.638 1.00 0.00 C ATOM 2257 CG LEU S 38 28.388 9.894 12.282 1.00 0.00 C ATOM 2258 CD1 LEU S 38 29.687 9.735 11.493 1.00 0.00 C ATOM 2259 CD2 LEU S 38 27.244 9.239 11.499 1.00 0.00 C ATOM 0 H LEU S 38 29.006 10.612 15.662 1.00 0.00 H new ATOM 0 HA LEU S 38 26.759 10.365 14.076 1.00 0.00 H new ATOM 0 HB2 LEU S 38 29.517 9.451 14.068 1.00 0.00 H new ATOM 0 HB3 LEU S 38 28.511 8.126 13.515 1.00 0.00 H new ATOM 0 HG LEU S 38 28.165 10.950 12.432 1.00 0.00 H new ATOM 0 HD11 LEU S 38 29.585 10.221 10.523 1.00 0.00 H new ATOM 0 HD12 LEU S 38 30.507 10.195 12.045 1.00 0.00 H new ATOM 0 HD13 LEU S 38 29.897 8.675 11.348 1.00 0.00 H new ATOM 0 HD21 LEU S 38 27.136 9.731 10.532 1.00 0.00 H new ATOM 0 HD22 LEU S 38 27.466 8.183 11.346 1.00 0.00 H new ATOM 0 HD23 LEU S 38 26.315 9.337 12.062 1.00 0.00 H new ATOM 2271 N LEU S 39 27.313 7.654 15.843 1.00 0.00 N ATOM 2272 CA LEU S 39 26.633 6.428 16.339 1.00 0.00 C ATOM 2273 C LEU S 39 25.328 6.796 17.055 1.00 0.00 C ATOM 2274 O LEU S 39 24.346 6.087 16.957 1.00 0.00 O ATOM 2275 CB LEU S 39 27.561 5.714 17.336 1.00 0.00 C ATOM 2276 CG LEU S 39 26.868 4.475 17.910 1.00 0.00 C ATOM 2277 CD1 LEU S 39 26.507 3.507 16.786 1.00 0.00 C ATOM 2278 CD2 LEU S 39 27.816 3.781 18.889 1.00 0.00 C ATOM 0 H LEU S 39 28.266 7.800 16.176 1.00 0.00 H new ATOM 0 HA LEU S 39 26.406 5.779 15.493 1.00 0.00 H new ATOM 0 HB2 LEU S 39 28.487 5.424 16.839 1.00 0.00 H new ATOM 0 HB3 LEU S 39 27.832 6.395 18.143 1.00 0.00 H new ATOM 0 HG LEU S 39 25.956 4.779 18.424 1.00 0.00 H new ATOM 0 HD11 LEU S 39 26.015 2.630 17.206 1.00 0.00 H new ATOM 0 HD12 LEU S 39 25.834 3.999 16.084 1.00 0.00 H new ATOM 0 HD13 LEU S 39 27.414 3.200 16.265 1.00 0.00 H new ATOM 0 HD21 LEU S 39 27.329 2.897 19.302 1.00 0.00 H new ATOM 0 HD22 LEU S 39 28.725 3.484 18.366 1.00 0.00 H new ATOM 0 HD23 LEU S 39 28.070 4.467 19.697 1.00 0.00 H new ATOM 2290 N ASN S 40 25.340 7.903 17.758 1.00 0.00 N ATOM 2291 CA ASN S 40 24.107 8.324 18.483 1.00 0.00 C ATOM 2292 C ASN S 40 23.045 8.876 17.534 1.00 0.00 C ATOM 2293 O ASN S 40 21.871 8.616 17.705 1.00 0.00 O ATOM 2294 CB ASN S 40 24.479 9.423 19.486 1.00 0.00 C ATOM 2295 CG ASN S 40 23.199 10.000 20.101 1.00 0.00 C ATOM 2296 OD1 ASN S 40 22.808 11.115 19.815 1.00 0.00 O ATOM 2297 ND2 ASN S 40 22.520 9.274 20.950 1.00 0.00 N ATOM 0 H ASN S 40 26.142 8.525 17.859 1.00 0.00 H new ATOM 0 HA ASN S 40 23.695 7.447 18.983 1.00 0.00 H new ATOM 0 HB2 ASN S 40 25.121 9.016 20.268 1.00 0.00 H new ATOM 0 HB3 ASN S 40 25.044 10.211 18.987 1.00 0.00 H new ATOM 0 HD21 ASN S 40 21.667 9.644 21.369 1.00 0.00 H new ATOM 0 HD22 ASN S 40 22.844 8.338 21.193 1.00 0.00 H new ATOM 2304 N LEU S 41 23.471 9.628 16.557 1.00 0.00 N ATOM 2305 CA LEU S 41 22.487 10.198 15.594 1.00 0.00 C ATOM 2306 C LEU S 41 21.449 9.158 15.187 1.00 0.00 C ATOM 2307 O LEU S 41 20.263 9.418 15.207 1.00 0.00 O ATOM 2308 CB LEU S 41 23.240 10.642 14.332 1.00 0.00 C ATOM 2309 CG LEU S 41 23.109 12.158 14.137 1.00 0.00 C ATOM 2310 CD1 LEU S 41 21.620 12.521 13.948 1.00 0.00 C ATOM 2311 CD2 LEU S 41 23.728 12.884 15.348 1.00 0.00 C ATOM 0 H LEU S 41 24.447 9.871 16.384 1.00 0.00 H new ATOM 0 HA LEU S 41 21.979 11.036 16.072 1.00 0.00 H new ATOM 0 HB2 LEU S 41 24.292 10.369 14.414 1.00 0.00 H new ATOM 0 HB3 LEU S 41 22.842 10.121 13.461 1.00 0.00 H new ATOM 0 HG LEU S 41 23.648 12.477 13.245 1.00 0.00 H new ATOM 0 HD11 LEU S 41 21.523 13.598 13.809 1.00 0.00 H new ATOM 0 HD12 LEU S 41 21.228 12.005 13.071 1.00 0.00 H new ATOM 0 HD13 LEU S 41 21.057 12.217 14.830 1.00 0.00 H new ATOM 0 HD21 LEU S 41 23.636 13.962 15.212 1.00 0.00 H new ATOM 0 HD22 LEU S 41 23.205 12.587 16.257 1.00 0.00 H new ATOM 0 HD23 LEU S 41 24.781 12.617 15.433 1.00 0.00 H new ATOM 2323 N MET S 42 21.917 7.997 14.827 1.00 0.00 N ATOM 2324 CA MET S 42 20.980 6.923 14.412 1.00 0.00 C ATOM 2325 C MET S 42 20.341 6.241 15.623 1.00 0.00 C ATOM 2326 O MET S 42 20.215 5.033 15.657 1.00 0.00 O ATOM 2327 CB MET S 42 21.788 5.882 13.629 1.00 0.00 C ATOM 2328 CG MET S 42 20.834 4.942 12.890 1.00 0.00 C ATOM 2329 SD MET S 42 20.776 5.072 11.086 1.00 0.00 S ATOM 2330 CE MET S 42 18.982 5.247 10.931 1.00 0.00 C ATOM 0 H MET S 42 22.906 7.747 14.803 1.00 0.00 H new ATOM 0 HA MET S 42 20.182 7.356 13.808 1.00 0.00 H new ATOM 0 HB2 MET S 42 22.448 6.379 12.918 1.00 0.00 H new ATOM 0 HB3 MET S 42 22.422 5.313 14.309 1.00 0.00 H new ATOM 0 HG2 MET S 42 21.104 3.917 13.146 1.00 0.00 H new ATOM 0 HG3 MET S 42 19.828 5.112 13.273 1.00 0.00 H new ATOM 0 HE1 MET S 42 18.707 5.255 9.876 1.00 0.00 H new ATOM 0 HE2 MET S 42 18.491 4.411 11.428 1.00 0.00 H new ATOM 0 HE3 MET S 42 18.666 6.181 11.395 1.00 0.00 H new ATOM 2340 N LEU S 43 19.949 7.019 16.599 1.00 0.00 N ATOM 2341 CA LEU S 43 19.322 6.406 17.797 1.00 0.00 C ATOM 2342 C LEU S 43 17.988 5.746 17.445 1.00 0.00 C ATOM 2343 O LEU S 43 17.934 4.554 17.228 1.00 0.00 O ATOM 2344 CB LEU S 43 19.089 7.517 18.834 1.00 0.00 C ATOM 2345 CG LEU S 43 19.983 7.262 20.046 1.00 0.00 C ATOM 2346 CD1 LEU S 43 19.812 8.406 21.046 1.00 0.00 C ATOM 2347 CD2 LEU S 43 19.577 5.943 20.716 1.00 0.00 C ATOM 0 H LEU S 43 20.036 8.035 16.615 1.00 0.00 H new ATOM 0 HA LEU S 43 19.981 5.634 18.195 1.00 0.00 H new ATOM 0 HB2 LEU S 43 19.313 8.491 18.399 1.00 0.00 H new ATOM 0 HB3 LEU S 43 18.042 7.536 19.136 1.00 0.00 H new ATOM 0 HG LEU S 43 21.023 7.202 19.725 1.00 0.00 H new ATOM 0 HD11 LEU S 43 20.448 8.229 21.913 1.00 0.00 H new ATOM 0 HD12 LEU S 43 20.095 9.347 20.574 1.00 0.00 H new ATOM 0 HD13 LEU S 43 18.771 8.459 21.364 1.00 0.00 H new ATOM 0 HD21 LEU S 43 20.216 5.762 21.581 1.00 0.00 H new ATOM 0 HD22 LEU S 43 18.538 6.004 21.039 1.00 0.00 H new ATOM 0 HD23 LEU S 43 19.689 5.124 20.005 1.00 0.00 H new ATOM 2359 N THR S 44 16.946 6.535 17.368 1.00 0.00 N ATOM 2360 CA THR S 44 15.608 5.978 17.031 1.00 0.00 C ATOM 2361 C THR S 44 15.252 4.774 17.938 1.00 0.00 C ATOM 2362 O THR S 44 15.887 3.744 17.847 1.00 0.00 O ATOM 2363 CB THR S 44 15.666 5.480 15.589 1.00 0.00 C ATOM 2364 OG1 THR S 44 16.778 6.138 15.008 1.00 0.00 O ATOM 2365 CG2 THR S 44 14.457 5.985 14.794 1.00 0.00 C ATOM 0 H THR S 44 16.968 7.543 17.525 1.00 0.00 H new ATOM 0 HA THR S 44 14.855 6.754 17.172 1.00 0.00 H new ATOM 0 HB THR S 44 15.707 4.391 15.574 1.00 0.00 H new ATOM 0 HG1 THR S 44 16.872 5.858 14.074 1.00 0.00 H new ATOM 0 HG21 THR S 44 14.517 5.619 13.769 1.00 0.00 H new ATOM 0 HG22 THR S 44 13.540 5.621 15.256 1.00 0.00 H new ATOM 0 HG23 THR S 44 14.453 7.075 14.791 1.00 0.00 H new ATOM 2373 N PRO S 45 14.239 4.886 18.787 1.00 0.00 N ATOM 2374 CA PRO S 45 13.880 3.756 19.661 1.00 0.00 C ATOM 2375 C PRO S 45 13.673 2.478 18.850 1.00 0.00 C ATOM 2376 O PRO S 45 13.799 1.384 19.366 1.00 0.00 O ATOM 2377 CB PRO S 45 12.563 4.182 20.333 1.00 0.00 C ATOM 2378 CG PRO S 45 12.360 5.686 20.032 1.00 0.00 C ATOM 2379 CD PRO S 45 13.362 6.074 18.936 1.00 0.00 C ATOM 0 HA PRO S 45 14.666 3.538 20.384 1.00 0.00 H new ATOM 0 HB2 PRO S 45 11.728 3.597 19.948 1.00 0.00 H new ATOM 0 HB3 PRO S 45 12.606 4.007 21.408 1.00 0.00 H new ATOM 0 HG2 PRO S 45 11.338 5.877 19.703 1.00 0.00 H new ATOM 0 HG3 PRO S 45 12.523 6.283 20.930 1.00 0.00 H new ATOM 0 HD2 PRO S 45 12.854 6.310 18.001 1.00 0.00 H new ATOM 0 HD3 PRO S 45 13.936 6.956 19.219 1.00 0.00 H new ATOM 2387 N ASP S 46 13.367 2.646 17.593 1.00 0.00 N ATOM 2388 CA ASP S 46 13.149 1.458 16.726 1.00 0.00 C ATOM 2389 C ASP S 46 14.467 0.742 16.430 1.00 0.00 C ATOM 2390 O ASP S 46 14.578 -0.455 16.613 1.00 0.00 O ATOM 2391 CB ASP S 46 12.539 1.931 15.401 1.00 0.00 C ATOM 2392 CG ASP S 46 11.816 0.761 14.729 1.00 0.00 C ATOM 2393 OD1 ASP S 46 11.105 0.079 15.448 1.00 0.00 O ATOM 2394 OD2 ASP S 46 12.020 0.616 13.534 1.00 0.00 O ATOM 0 H ASP S 46 13.259 3.550 17.132 1.00 0.00 H new ATOM 0 HA ASP S 46 12.485 0.764 17.241 1.00 0.00 H new ATOM 0 HB2 ASP S 46 11.842 2.749 15.580 1.00 0.00 H new ATOM 0 HB3 ASP S 46 13.320 2.316 14.745 1.00 0.00 H new ATOM 2399 N GLU S 47 15.442 1.483 15.974 1.00 0.00 N ATOM 2400 CA GLU S 47 16.750 0.844 15.665 1.00 0.00 C ATOM 2401 C GLU S 47 17.453 0.413 16.948 1.00 0.00 C ATOM 2402 O GLU S 47 17.994 -0.672 17.029 1.00 0.00 O ATOM 2403 CB GLU S 47 17.640 1.859 14.937 1.00 0.00 C ATOM 2404 CG GLU S 47 17.275 1.873 13.450 1.00 0.00 C ATOM 2405 CD GLU S 47 18.158 0.872 12.702 1.00 0.00 C ATOM 2406 OE1 GLU S 47 18.141 -0.276 13.114 1.00 0.00 O ATOM 2407 OE2 GLU S 47 18.801 1.312 11.764 1.00 0.00 O ATOM 0 H GLU S 47 15.390 2.488 15.805 1.00 0.00 H new ATOM 0 HA GLU S 47 16.574 -0.033 15.042 1.00 0.00 H new ATOM 0 HB2 GLU S 47 17.506 2.852 15.366 1.00 0.00 H new ATOM 0 HB3 GLU S 47 18.690 1.596 15.064 1.00 0.00 H new ATOM 0 HG2 GLU S 47 16.224 1.616 13.320 1.00 0.00 H new ATOM 0 HG3 GLU S 47 17.412 2.874 13.040 1.00 0.00 H new ATOM 2414 N ARG S 48 17.433 1.273 17.930 1.00 0.00 N ATOM 2415 CA ARG S 48 18.097 0.924 19.211 1.00 0.00 C ATOM 2416 C ARG S 48 17.626 -0.434 19.717 1.00 0.00 C ATOM 2417 O ARG S 48 18.406 -1.361 19.822 1.00 0.00 O ATOM 2418 CB ARG S 48 17.742 1.988 20.254 1.00 0.00 C ATOM 2419 CG ARG S 48 18.757 1.919 21.396 1.00 0.00 C ATOM 2420 CD ARG S 48 18.416 2.977 22.446 1.00 0.00 C ATOM 2421 NE ARG S 48 17.515 2.375 23.472 1.00 0.00 N ATOM 2422 CZ ARG S 48 16.959 3.146 24.369 1.00 0.00 C ATOM 2423 NH1 ARG S 48 17.473 4.325 24.598 1.00 0.00 N ATOM 2424 NH2 ARG S 48 15.907 2.712 25.010 1.00 0.00 N ATOM 0 H ARG S 48 16.990 2.191 17.899 1.00 0.00 H new ATOM 0 HA ARG S 48 19.174 0.882 19.047 1.00 0.00 H new ATOM 0 HB2 ARG S 48 17.752 2.979 19.800 1.00 0.00 H new ATOM 0 HB3 ARG S 48 16.734 1.822 20.635 1.00 0.00 H new ATOM 0 HG2 ARG S 48 18.746 0.927 21.847 1.00 0.00 H new ATOM 0 HG3 ARG S 48 19.764 2.083 21.012 1.00 0.00 H new ATOM 0 HD2 ARG S 48 19.327 3.347 22.916 1.00 0.00 H new ATOM 0 HD3 ARG S 48 17.931 3.832 21.975 1.00 0.00 H new ATOM 0 HE ARG S 48 17.335 1.371 23.473 1.00 0.00 H new ATOM 0 HH11 ARG S 48 18.296 4.632 24.080 1.00 0.00 H new ATOM 0 HH12 ARG S 48 17.051 4.939 25.295 1.00 0.00 H new ATOM 0 HH21 ARG S 48 15.533 1.785 24.807 1.00 0.00 H new ATOM 0 HH22 ARG S 48 15.460 3.300 25.713 1.00 0.00 H new ATOM 2438 N GLU S 49 16.360 -0.534 20.021 1.00 0.00 N ATOM 2439 CA GLU S 49 15.839 -1.834 20.520 1.00 0.00 C ATOM 2440 C GLU S 49 16.194 -2.962 19.555 1.00 0.00 C ATOM 2441 O GLU S 49 16.071 -4.125 19.886 1.00 0.00 O ATOM 2442 CB GLU S 49 14.312 -1.743 20.636 1.00 0.00 C ATOM 2443 CG GLU S 49 13.865 -2.485 21.898 1.00 0.00 C ATOM 2444 CD GLU S 49 12.344 -2.398 22.028 1.00 0.00 C ATOM 2445 OE1 GLU S 49 11.853 -1.287 21.916 1.00 0.00 O ATOM 2446 OE2 GLU S 49 11.758 -3.447 22.237 1.00 0.00 O ATOM 0 H GLU S 49 15.674 0.218 19.946 1.00 0.00 H new ATOM 0 HA GLU S 49 16.288 -2.046 21.491 1.00 0.00 H new ATOM 0 HB2 GLU S 49 13.999 -0.700 20.681 1.00 0.00 H new ATOM 0 HB3 GLU S 49 13.840 -2.179 19.755 1.00 0.00 H new ATOM 0 HG2 GLU S 49 14.178 -3.528 21.850 1.00 0.00 H new ATOM 0 HG3 GLU S 49 14.341 -2.050 22.777 1.00 0.00 H new ATOM 2453 N ALA S 50 16.628 -2.595 18.380 1.00 0.00 N ATOM 2454 CA ALA S 50 16.996 -3.633 17.381 1.00 0.00 C ATOM 2455 C ALA S 50 18.494 -3.924 17.427 1.00 0.00 C ATOM 2456 O ALA S 50 18.929 -5.000 17.067 1.00 0.00 O ATOM 2457 CB ALA S 50 16.633 -3.113 15.985 1.00 0.00 C ATOM 0 H ALA S 50 16.742 -1.629 18.072 1.00 0.00 H new ATOM 0 HA ALA S 50 16.456 -4.553 17.607 1.00 0.00 H new ATOM 0 HB1 ALA S 50 16.896 -3.862 15.238 1.00 0.00 H new ATOM 0 HB2 ALA S 50 15.562 -2.914 15.938 1.00 0.00 H new ATOM 0 HB3 ALA S 50 17.182 -2.193 15.785 1.00 0.00 H new ATOM 2463 N LEU S 51 19.260 -2.960 17.863 1.00 0.00 N ATOM 2464 CA LEU S 51 20.729 -3.184 17.931 1.00 0.00 C ATOM 2465 C LEU S 51 21.033 -4.385 18.818 1.00 0.00 C ATOM 2466 O LEU S 51 21.566 -5.383 18.367 1.00 0.00 O ATOM 2467 CB LEU S 51 21.399 -1.944 18.552 1.00 0.00 C ATOM 2468 CG LEU S 51 22.924 -2.082 18.449 1.00 0.00 C ATOM 2469 CD1 LEU S 51 23.522 -0.751 17.986 1.00 0.00 C ATOM 2470 CD2 LEU S 51 23.487 -2.439 19.825 1.00 0.00 C ATOM 0 H LEU S 51 18.937 -2.042 18.170 1.00 0.00 H new ATOM 0 HA LEU S 51 21.107 -3.363 16.925 1.00 0.00 H new ATOM 0 HB2 LEU S 51 21.069 -1.042 18.036 1.00 0.00 H new ATOM 0 HB3 LEU S 51 21.102 -1.841 19.596 1.00 0.00 H new ATOM 0 HG LEU S 51 23.177 -2.864 17.733 1.00 0.00 H new ATOM 0 HD11 LEU S 51 24.605 -0.845 17.912 1.00 0.00 H new ATOM 0 HD12 LEU S 51 23.113 -0.488 17.011 1.00 0.00 H new ATOM 0 HD13 LEU S 51 23.274 0.029 18.706 1.00 0.00 H new ATOM 0 HD21 LEU S 51 24.570 -2.539 19.760 1.00 0.00 H new ATOM 0 HD22 LEU S 51 23.237 -1.651 20.536 1.00 0.00 H new ATOM 0 HD23 LEU S 51 23.055 -3.382 20.161 1.00 0.00 H new ATOM 2482 N GLY S 52 20.681 -4.260 20.067 1.00 0.00 N ATOM 2483 CA GLY S 52 20.934 -5.374 21.017 1.00 0.00 C ATOM 2484 C GLY S 52 20.400 -6.693 20.441 1.00 0.00 C ATOM 2485 O GLY S 52 21.018 -7.731 20.570 1.00 0.00 O ATOM 0 H GLY S 52 20.231 -3.437 20.468 1.00 0.00 H new ATOM 0 HA2 GLY S 52 22.003 -5.460 21.212 1.00 0.00 H new ATOM 0 HA3 GLY S 52 20.452 -5.164 21.972 1.00 0.00 H new ATOM 2489 N THR S 53 19.260 -6.622 19.805 1.00 0.00 N ATOM 2490 CA THR S 53 18.672 -7.856 19.216 1.00 0.00 C ATOM 2491 C THR S 53 19.618 -8.494 18.201 1.00 0.00 C ATOM 2492 O THR S 53 19.777 -9.698 18.171 1.00 0.00 O ATOM 2493 CB THR S 53 17.370 -7.481 18.505 1.00 0.00 C ATOM 2494 OG1 THR S 53 16.549 -6.904 19.503 1.00 0.00 O ATOM 2495 CG2 THR S 53 16.614 -8.738 18.059 1.00 0.00 C ATOM 0 H THR S 53 18.716 -5.770 19.670 1.00 0.00 H new ATOM 0 HA THR S 53 18.493 -8.573 20.017 1.00 0.00 H new ATOM 0 HB THR S 53 17.586 -6.841 17.649 1.00 0.00 H new ATOM 0 HG1 THR S 53 16.573 -5.928 19.422 1.00 0.00 H new ATOM 0 HG21 THR S 53 15.691 -8.448 17.556 1.00 0.00 H new ATOM 0 HG22 THR S 53 17.236 -9.313 17.373 1.00 0.00 H new ATOM 0 HG23 THR S 53 16.376 -9.348 18.931 1.00 0.00 H new ATOM 2503 N ARG S 54 20.229 -7.679 17.387 1.00 0.00 N ATOM 2504 CA ARG S 54 21.160 -8.218 16.376 1.00 0.00 C ATOM 2505 C ARG S 54 22.315 -8.967 17.029 1.00 0.00 C ATOM 2506 O ARG S 54 22.498 -10.145 16.801 1.00 0.00 O ATOM 2507 CB ARG S 54 21.721 -7.030 15.601 1.00 0.00 C ATOM 2508 CG ARG S 54 20.592 -6.368 14.819 1.00 0.00 C ATOM 2509 CD ARG S 54 20.818 -6.599 13.323 1.00 0.00 C ATOM 2510 NE ARG S 54 20.912 -8.066 13.068 1.00 0.00 N ATOM 2511 CZ ARG S 54 19.843 -8.726 12.717 1.00 0.00 C ATOM 2512 NH1 ARG S 54 18.672 -8.243 13.032 1.00 0.00 N ATOM 2513 NH2 ARG S 54 19.979 -9.846 12.062 1.00 0.00 N ATOM 0 H ARG S 54 20.120 -6.665 17.383 1.00 0.00 H new ATOM 0 HA ARG S 54 20.630 -8.916 15.728 1.00 0.00 H new ATOM 0 HB2 ARG S 54 22.174 -6.314 16.286 1.00 0.00 H new ATOM 0 HB3 ARG S 54 22.506 -7.361 14.921 1.00 0.00 H new ATOM 0 HG2 ARG S 54 19.631 -6.782 15.123 1.00 0.00 H new ATOM 0 HG3 ARG S 54 20.561 -5.300 15.034 1.00 0.00 H new ATOM 0 HD2 ARG S 54 19.999 -6.168 12.747 1.00 0.00 H new ATOM 0 HD3 ARG S 54 21.732 -6.101 12.999 1.00 0.00 H new ATOM 0 HE ARG S 54 21.805 -8.549 13.167 1.00 0.00 H new ATOM 0 HH11 ARG S 54 18.604 -7.364 13.544 1.00 0.00 H new ATOM 0 HH12 ARG S 54 17.825 -8.745 12.766 1.00 0.00 H new ATOM 0 HH21 ARG S 54 20.910 -10.193 11.832 1.00 0.00 H new ATOM 0 HH22 ARG S 54 19.154 -10.375 11.780 1.00 0.00 H new ATOM 2527 N VAL S 55 23.074 -8.273 17.829 1.00 0.00 N ATOM 2528 CA VAL S 55 24.214 -8.946 18.494 1.00 0.00 C ATOM 2529 C VAL S 55 23.776 -10.281 19.088 1.00 0.00 C ATOM 2530 O VAL S 55 24.561 -11.202 19.202 1.00 0.00 O ATOM 2531 CB VAL S 55 24.742 -8.029 19.608 1.00 0.00 C ATOM 2532 CG1 VAL S 55 24.316 -6.591 19.317 1.00 0.00 C ATOM 2533 CG2 VAL S 55 24.200 -8.448 20.982 1.00 0.00 C ATOM 0 H VAL S 55 22.955 -7.284 18.047 1.00 0.00 H new ATOM 0 HA VAL S 55 24.998 -9.139 17.762 1.00 0.00 H new ATOM 0 HB VAL S 55 25.829 -8.109 19.631 1.00 0.00 H new ATOM 0 HG11 VAL S 55 24.688 -5.935 20.104 1.00 0.00 H new ATOM 0 HG12 VAL S 55 24.728 -6.277 18.358 1.00 0.00 H new ATOM 0 HG13 VAL S 55 23.228 -6.534 19.281 1.00 0.00 H new ATOM 0 HG21 VAL S 55 24.593 -7.779 21.748 1.00 0.00 H new ATOM 0 HG22 VAL S 55 23.111 -8.393 20.976 1.00 0.00 H new ATOM 0 HG23 VAL S 55 24.510 -9.470 21.199 1.00 0.00 H new ATOM 2543 N ARG S 56 22.528 -10.356 19.454 1.00 0.00 N ATOM 2544 CA ARG S 56 22.012 -11.616 20.043 1.00 0.00 C ATOM 2545 C ARG S 56 22.243 -12.811 19.118 1.00 0.00 C ATOM 2546 O ARG S 56 22.977 -13.718 19.456 1.00 0.00 O ATOM 2547 CB ARG S 56 20.504 -11.448 20.273 1.00 0.00 C ATOM 2548 CG ARG S 56 20.090 -12.170 21.559 1.00 0.00 C ATOM 2549 CD ARG S 56 18.614 -11.879 21.835 1.00 0.00 C ATOM 2550 NE ARG S 56 18.014 -13.035 22.557 1.00 0.00 N ATOM 2551 CZ ARG S 56 16.969 -12.845 23.315 1.00 0.00 C ATOM 2552 NH1 ARG S 56 16.046 -12.012 22.920 1.00 0.00 N ATOM 2553 NH2 ARG S 56 16.885 -13.494 24.443 1.00 0.00 N ATOM 0 H ARG S 56 21.847 -9.601 19.370 1.00 0.00 H new ATOM 0 HA ARG S 56 22.541 -11.810 20.976 1.00 0.00 H new ATOM 0 HB2 ARG S 56 20.254 -10.389 20.343 1.00 0.00 H new ATOM 0 HB3 ARG S 56 19.951 -11.851 19.425 1.00 0.00 H new ATOM 0 HG2 ARG S 56 20.250 -13.243 21.457 1.00 0.00 H new ATOM 0 HG3 ARG S 56 20.704 -11.834 22.395 1.00 0.00 H new ATOM 0 HD2 ARG S 56 18.515 -10.972 22.431 1.00 0.00 H new ATOM 0 HD3 ARG S 56 18.084 -11.705 20.899 1.00 0.00 H new ATOM 0 HE ARG S 56 18.416 -13.967 22.460 1.00 0.00 H new ATOM 0 HH11 ARG S 56 16.148 -11.522 22.031 1.00 0.00 H new ATOM 0 HH12 ARG S 56 15.222 -11.851 23.500 1.00 0.00 H new ATOM 0 HH21 ARG S 56 17.628 -14.136 24.718 1.00 0.00 H new ATOM 0 HH22 ARG S 56 16.076 -13.359 25.050 1.00 0.00 H new ATOM 2567 N ILE S 57 21.632 -12.784 17.961 1.00 0.00 N ATOM 2568 CA ILE S 57 21.806 -13.910 17.012 1.00 0.00 C ATOM 2569 C ILE S 57 23.252 -14.411 16.973 1.00 0.00 C ATOM 2570 O ILE S 57 23.501 -15.594 17.086 1.00 0.00 O ATOM 2571 CB ILE S 57 21.354 -13.437 15.625 1.00 0.00 C ATOM 2572 CG1 ILE S 57 22.491 -12.791 14.841 1.00 0.00 C ATOM 2573 CG2 ILE S 57 20.248 -12.394 15.815 1.00 0.00 C ATOM 2574 CD1 ILE S 57 21.910 -12.206 13.559 1.00 0.00 C ATOM 0 H ILE S 57 21.024 -12.031 17.639 1.00 0.00 H new ATOM 0 HA ILE S 57 21.200 -14.753 17.342 1.00 0.00 H new ATOM 0 HB ILE S 57 21.007 -14.305 15.064 1.00 0.00 H new ATOM 0 HG12 ILE S 57 22.967 -12.010 15.434 1.00 0.00 H new ATOM 0 HG13 ILE S 57 23.260 -13.528 14.609 1.00 0.00 H new ATOM 0 HG21 ILE S 57 19.909 -12.041 14.841 1.00 0.00 H new ATOM 0 HG22 ILE S 57 19.411 -12.844 16.349 1.00 0.00 H new ATOM 0 HG23 ILE S 57 20.636 -11.553 16.390 1.00 0.00 H new ATOM 0 HD11 ILE S 57 22.706 -11.737 12.980 1.00 0.00 H new ATOM 0 HD12 ILE S 57 21.453 -13.002 12.970 1.00 0.00 H new ATOM 0 HD13 ILE S 57 21.155 -11.460 13.809 1.00 0.00 H new ATOM 2586 N VAL S 58 24.181 -13.509 16.832 1.00 0.00 N ATOM 2587 CA VAL S 58 25.606 -13.935 16.788 1.00 0.00 C ATOM 2588 C VAL S 58 25.999 -14.763 18.016 1.00 0.00 C ATOM 2589 O VAL S 58 26.298 -15.939 17.908 1.00 0.00 O ATOM 2590 CB VAL S 58 26.478 -12.675 16.756 1.00 0.00 C ATOM 2591 CG1 VAL S 58 27.944 -13.075 16.934 1.00 0.00 C ATOM 2592 CG2 VAL S 58 26.307 -11.978 15.406 1.00 0.00 C ATOM 0 H VAL S 58 24.018 -12.506 16.746 1.00 0.00 H new ATOM 0 HA VAL S 58 25.750 -14.555 15.903 1.00 0.00 H new ATOM 0 HB VAL S 58 26.180 -12.000 17.558 1.00 0.00 H new ATOM 0 HG11 VAL S 58 28.570 -12.183 16.912 1.00 0.00 H new ATOM 0 HG12 VAL S 58 28.069 -13.583 17.890 1.00 0.00 H new ATOM 0 HG13 VAL S 58 28.239 -13.745 16.126 1.00 0.00 H new ATOM 0 HG21 VAL S 58 26.926 -11.081 15.379 1.00 0.00 H new ATOM 0 HG22 VAL S 58 26.612 -12.653 14.607 1.00 0.00 H new ATOM 0 HG23 VAL S 58 25.261 -11.702 15.269 1.00 0.00 H new ATOM 2602 N GLU S 59 25.976 -14.138 19.162 1.00 0.00 N ATOM 2603 CA GLU S 59 26.347 -14.866 20.410 1.00 0.00 C ATOM 2604 C GLU S 59 25.226 -15.766 20.934 1.00 0.00 C ATOM 2605 O GLU S 59 25.391 -16.417 21.948 1.00 0.00 O ATOM 2606 CB GLU S 59 26.672 -13.823 21.485 1.00 0.00 C ATOM 2607 CG GLU S 59 25.393 -13.063 21.847 1.00 0.00 C ATOM 2608 CD GLU S 59 24.862 -13.574 23.187 1.00 0.00 C ATOM 2609 OE1 GLU S 59 24.257 -14.633 23.162 1.00 0.00 O ATOM 2610 OE2 GLU S 59 25.092 -12.876 24.162 1.00 0.00 O ATOM 0 H GLU S 59 25.718 -13.159 19.288 1.00 0.00 H new ATOM 0 HA GLU S 59 27.198 -15.508 20.181 1.00 0.00 H new ATOM 0 HB2 GLU S 59 27.083 -14.310 22.369 1.00 0.00 H new ATOM 0 HB3 GLU S 59 27.431 -13.131 21.120 1.00 0.00 H new ATOM 0 HG2 GLU S 59 25.597 -11.994 21.908 1.00 0.00 H new ATOM 0 HG3 GLU S 59 24.642 -13.201 21.069 1.00 0.00 H new ATOM 2617 N GLU S 60 24.115 -15.798 20.254 1.00 0.00 N ATOM 2618 CA GLU S 60 23.005 -16.665 20.741 1.00 0.00 C ATOM 2619 C GLU S 60 23.096 -18.072 20.150 1.00 0.00 C ATOM 2620 O GLU S 60 22.821 -19.043 20.828 1.00 0.00 O ATOM 2621 CB GLU S 60 21.669 -16.040 20.323 1.00 0.00 C ATOM 2622 CG GLU S 60 20.520 -16.912 20.835 1.00 0.00 C ATOM 2623 CD GLU S 60 19.823 -17.577 19.646 1.00 0.00 C ATOM 2624 OE1 GLU S 60 18.938 -16.933 19.109 1.00 0.00 O ATOM 2625 OE2 GLU S 60 20.213 -18.693 19.346 1.00 0.00 O ATOM 0 H GLU S 60 23.928 -15.274 19.399 1.00 0.00 H new ATOM 0 HA GLU S 60 23.079 -16.741 21.826 1.00 0.00 H new ATOM 0 HB2 GLU S 60 21.584 -15.032 20.728 1.00 0.00 H new ATOM 0 HB3 GLU S 60 21.619 -15.953 19.238 1.00 0.00 H new ATOM 0 HG2 GLU S 60 20.900 -17.670 21.519 1.00 0.00 H new ATOM 0 HG3 GLU S 60 19.809 -16.305 21.395 1.00 0.00 H new ATOM 3131 N VAL S 94 26.151 -17.943 5.105 1.00 0.00 N ATOM 3132 CA VAL S 94 27.400 -18.687 4.813 1.00 0.00 C ATOM 3133 C VAL S 94 28.555 -17.699 4.753 1.00 0.00 C ATOM 3134 O VAL S 94 29.710 -18.072 4.821 1.00 0.00 O ATOM 3135 CB VAL S 94 27.262 -19.383 3.454 1.00 0.00 C ATOM 3136 CG1 VAL S 94 26.714 -18.388 2.430 1.00 0.00 C ATOM 3137 CG2 VAL S 94 28.643 -19.865 2.998 1.00 0.00 C ATOM 0 HA VAL S 94 27.584 -19.430 5.589 1.00 0.00 H new ATOM 0 HB VAL S 94 26.583 -20.231 3.541 1.00 0.00 H new ATOM 0 HG11 VAL S 94 26.615 -18.880 1.462 1.00 0.00 H new ATOM 0 HG12 VAL S 94 25.738 -18.030 2.757 1.00 0.00 H new ATOM 0 HG13 VAL S 94 27.398 -17.545 2.340 1.00 0.00 H new ATOM 0 HG21 VAL S 94 28.554 -20.362 2.032 1.00 0.00 H new ATOM 0 HG22 VAL S 94 29.315 -19.011 2.907 1.00 0.00 H new ATOM 0 HG23 VAL S 94 29.044 -20.566 3.730 1.00 0.00 H new ATOM 3147 N GLU S 95 28.207 -16.448 4.624 1.00 0.00 N ATOM 3148 CA GLU S 95 29.250 -15.396 4.554 1.00 0.00 C ATOM 3149 C GLU S 95 29.622 -14.947 5.965 1.00 0.00 C ATOM 3150 O GLU S 95 30.698 -14.442 6.198 1.00 0.00 O ATOM 3151 CB GLU S 95 28.683 -14.204 3.777 1.00 0.00 C ATOM 3152 CG GLU S 95 28.529 -14.596 2.305 1.00 0.00 C ATOM 3153 CD GLU S 95 27.086 -14.350 1.862 1.00 0.00 C ATOM 3154 OE1 GLU S 95 26.608 -13.266 2.153 1.00 0.00 O ATOM 3155 OE2 GLU S 95 26.542 -15.261 1.258 1.00 0.00 O ATOM 0 H GLU S 95 27.245 -16.113 4.564 1.00 0.00 H new ATOM 0 HA GLU S 95 30.139 -15.785 4.057 1.00 0.00 H new ATOM 0 HB2 GLU S 95 27.719 -13.909 4.191 1.00 0.00 H new ATOM 0 HB3 GLU S 95 29.346 -13.344 3.870 1.00 0.00 H new ATOM 0 HG2 GLU S 95 29.214 -14.014 1.689 1.00 0.00 H new ATOM 0 HG3 GLU S 95 28.789 -15.645 2.168 1.00 0.00 H new ATOM 3162 N LEU S 96 28.705 -15.134 6.875 1.00 0.00 N ATOM 3163 CA LEU S 96 28.964 -14.736 8.283 1.00 0.00 C ATOM 3164 C LEU S 96 30.073 -15.602 8.887 1.00 0.00 C ATOM 3165 O LEU S 96 31.110 -15.105 9.280 1.00 0.00 O ATOM 3166 CB LEU S 96 27.676 -14.980 9.090 1.00 0.00 C ATOM 3167 CG LEU S 96 27.301 -13.729 9.894 1.00 0.00 C ATOM 3168 CD1 LEU S 96 26.143 -14.077 10.832 1.00 0.00 C ATOM 3169 CD2 LEU S 96 28.494 -13.271 10.734 1.00 0.00 C ATOM 0 H LEU S 96 27.788 -15.546 6.702 1.00 0.00 H new ATOM 0 HA LEU S 96 29.267 -13.689 8.313 1.00 0.00 H new ATOM 0 HB2 LEU S 96 26.862 -15.244 8.415 1.00 0.00 H new ATOM 0 HB3 LEU S 96 27.817 -15.824 9.765 1.00 0.00 H new ATOM 0 HG LEU S 96 27.013 -12.931 9.209 1.00 0.00 H new ATOM 0 HD11 LEU S 96 25.866 -13.196 11.410 1.00 0.00 H new ATOM 0 HD12 LEU S 96 25.287 -14.410 10.245 1.00 0.00 H new ATOM 0 HD13 LEU S 96 26.450 -14.874 11.509 1.00 0.00 H new ATOM 0 HD21 LEU S 96 28.219 -12.382 11.302 1.00 0.00 H new ATOM 0 HD22 LEU S 96 28.782 -14.066 11.422 1.00 0.00 H new ATOM 0 HD23 LEU S 96 29.333 -13.038 10.078 1.00 0.00 H new ATOM 3181 N ARG S 97 29.822 -16.884 8.946 1.00 0.00 N ATOM 3182 CA ARG S 97 30.833 -17.816 9.515 1.00 0.00 C ATOM 3183 C ARG S 97 32.246 -17.463 9.059 1.00 0.00 C ATOM 3184 O ARG S 97 33.196 -17.639 9.795 1.00 0.00 O ATOM 3185 CB ARG S 97 30.520 -19.249 9.046 1.00 0.00 C ATOM 3186 CG ARG S 97 29.152 -19.310 8.354 1.00 0.00 C ATOM 3187 CD ARG S 97 28.052 -18.946 9.358 1.00 0.00 C ATOM 3188 NE ARG S 97 27.256 -20.168 9.660 1.00 0.00 N ATOM 3189 CZ ARG S 97 26.235 -20.469 8.906 1.00 0.00 C ATOM 3190 NH1 ARG S 97 26.442 -21.131 7.800 1.00 0.00 N ATOM 3191 NH2 ARG S 97 25.042 -20.097 9.280 1.00 0.00 N ATOM 0 H ARG S 97 28.960 -17.323 8.624 1.00 0.00 H new ATOM 0 HA ARG S 97 30.785 -17.736 10.601 1.00 0.00 H new ATOM 0 HB2 ARG S 97 31.295 -19.589 8.359 1.00 0.00 H new ATOM 0 HB3 ARG S 97 30.531 -19.926 9.900 1.00 0.00 H new ATOM 0 HG2 ARG S 97 29.129 -18.622 7.509 1.00 0.00 H new ATOM 0 HG3 ARG S 97 28.979 -20.310 7.956 1.00 0.00 H new ATOM 0 HD2 ARG S 97 28.492 -18.547 10.272 1.00 0.00 H new ATOM 0 HD3 ARG S 97 27.408 -18.168 8.947 1.00 0.00 H new ATOM 0 HE ARG S 97 27.507 -20.764 10.449 1.00 0.00 H new ATOM 0 HH11 ARG S 97 27.389 -21.404 7.539 1.00 0.00 H new ATOM 0 HH12 ARG S 97 25.656 -21.376 7.197 1.00 0.00 H new ATOM 0 HH21 ARG S 97 24.919 -19.579 10.150 1.00 0.00 H new ATOM 0 HH22 ARG S 97 24.233 -20.324 8.702 1.00 0.00 H new ATOM 3205 N GLN S 98 32.366 -16.973 7.856 1.00 0.00 N ATOM 3206 CA GLN S 98 33.706 -16.613 7.356 1.00 0.00 C ATOM 3207 C GLN S 98 34.431 -15.707 8.341 1.00 0.00 C ATOM 3208 O GLN S 98 35.483 -16.053 8.841 1.00 0.00 O ATOM 3209 CB GLN S 98 33.509 -15.882 6.035 1.00 0.00 C ATOM 3210 CG GLN S 98 32.718 -16.785 5.093 1.00 0.00 C ATOM 3211 CD GLN S 98 32.779 -16.220 3.672 1.00 0.00 C ATOM 3212 OE1 GLN S 98 32.454 -16.889 2.712 1.00 0.00 O ATOM 3213 NE2 GLN S 98 33.187 -14.993 3.496 1.00 0.00 N ATOM 0 H GLN S 98 31.596 -16.810 7.208 1.00 0.00 H new ATOM 0 HA GLN S 98 34.312 -17.510 7.228 1.00 0.00 H new ATOM 0 HB2 GLN S 98 32.976 -14.945 6.197 1.00 0.00 H new ATOM 0 HB3 GLN S 98 34.474 -15.629 5.595 1.00 0.00 H new ATOM 0 HG2 GLN S 98 33.127 -17.795 5.112 1.00 0.00 H new ATOM 0 HG3 GLN S 98 31.682 -16.855 5.424 1.00 0.00 H new ATOM 0 HE21 GLN S 98 33.461 -14.427 4.299 1.00 0.00 H new ATOM 0 HE22 GLN S 98 33.232 -14.600 2.556 1.00 0.00 H new ATOM 3222 N TRP S 99 33.866 -14.561 8.608 1.00 0.00 N ATOM 3223 CA TRP S 99 34.543 -13.650 9.566 1.00 0.00 C ATOM 3224 C TRP S 99 34.355 -14.131 10.994 1.00 0.00 C ATOM 3225 O TRP S 99 35.305 -14.258 11.740 1.00 0.00 O ATOM 3226 CB TRP S 99 33.946 -12.246 9.493 1.00 0.00 C ATOM 3227 CG TRP S 99 34.649 -11.433 10.548 1.00 0.00 C ATOM 3228 CD1 TRP S 99 35.938 -11.068 10.479 1.00 0.00 C ATOM 3229 CD2 TRP S 99 34.057 -10.875 11.587 1.00 0.00 C ATOM 3230 NE1 TRP S 99 36.074 -10.246 11.508 1.00 0.00 N ATOM 3231 CE2 TRP S 99 34.957 -10.068 12.240 1.00 0.00 C ATOM 3232 CE3 TRP S 99 32.759 -10.985 12.069 1.00 0.00 C ATOM 3233 CZ2 TRP S 99 34.574 -9.359 13.326 1.00 0.00 C ATOM 3234 CZ3 TRP S 99 32.388 -10.267 13.174 1.00 0.00 C ATOM 3235 CH2 TRP S 99 33.297 -9.455 13.794 1.00 0.00 C ATOM 0 H TRP S 99 32.987 -14.224 8.214 1.00 0.00 H new ATOM 0 HA TRP S 99 35.599 -13.638 9.297 1.00 0.00 H new ATOM 0 HB2 TRP S 99 34.094 -11.811 8.504 1.00 0.00 H new ATOM 0 HB3 TRP S 99 32.871 -12.271 9.673 1.00 0.00 H new ATOM 0 HD1 TRP S 99 36.684 -11.371 9.759 1.00 0.00 H new ATOM 0 HE1 TRP S 99 36.956 -9.784 11.729 1.00 0.00 H new ATOM 0 HE3 TRP S 99 32.048 -11.632 11.576 1.00 0.00 H new ATOM 0 HZ2 TRP S 99 35.282 -8.714 13.825 1.00 0.00 H new ATOM 0 HZ3 TRP S 99 31.380 -10.342 13.555 1.00 0.00 H new ATOM 0 HH2 TRP S 99 33.001 -8.885 14.662 1.00 0.00 H new ATOM 3246 N LEU S 100 33.118 -14.336 11.345 1.00 0.00 N ATOM 3247 CA LEU S 100 32.787 -14.811 12.715 1.00 0.00 C ATOM 3248 C LEU S 100 33.887 -15.702 13.294 1.00 0.00 C ATOM 3249 O LEU S 100 34.482 -15.389 14.303 1.00 0.00 O ATOM 3250 CB LEU S 100 31.480 -15.591 12.633 1.00 0.00 C ATOM 3251 CG LEU S 100 30.627 -15.264 13.861 1.00 0.00 C ATOM 3252 CD1 LEU S 100 30.105 -13.825 13.774 1.00 0.00 C ATOM 3253 CD2 LEU S 100 29.438 -16.216 13.902 1.00 0.00 C ATOM 0 H LEU S 100 32.314 -14.193 10.734 1.00 0.00 H new ATOM 0 HA LEU S 100 32.693 -13.950 13.377 1.00 0.00 H new ATOM 0 HB2 LEU S 100 30.943 -15.331 11.721 1.00 0.00 H new ATOM 0 HB3 LEU S 100 31.682 -16.661 12.589 1.00 0.00 H new ATOM 0 HG LEU S 100 31.235 -15.372 14.759 1.00 0.00 H new ATOM 0 HD11 LEU S 100 29.500 -13.604 14.653 1.00 0.00 H new ATOM 0 HD12 LEU S 100 30.947 -13.134 13.730 1.00 0.00 H new ATOM 0 HD13 LEU S 100 29.497 -13.712 12.877 1.00 0.00 H new ATOM 0 HD21 LEU S 100 28.823 -15.992 14.773 1.00 0.00 H new ATOM 0 HD22 LEU S 100 28.843 -16.094 12.997 1.00 0.00 H new ATOM 0 HD23 LEU S 100 29.797 -17.243 13.965 1.00 0.00 H new ATOM 3265 N GLU S 101 34.126 -16.801 12.631 1.00 0.00 N ATOM 3266 CA GLU S 101 35.177 -17.744 13.106 1.00 0.00 C ATOM 3267 C GLU S 101 36.403 -16.999 13.624 1.00 0.00 C ATOM 3268 O GLU S 101 37.007 -17.392 14.603 1.00 0.00 O ATOM 3269 CB GLU S 101 35.604 -18.606 11.912 1.00 0.00 C ATOM 3270 CG GLU S 101 36.062 -19.974 12.418 1.00 0.00 C ATOM 3271 CD GLU S 101 36.539 -20.815 11.232 1.00 0.00 C ATOM 3272 OE1 GLU S 101 36.708 -20.221 10.181 1.00 0.00 O ATOM 3273 OE2 GLU S 101 36.708 -22.005 11.445 1.00 0.00 O ATOM 0 H GLU S 101 33.639 -17.086 11.781 1.00 0.00 H new ATOM 0 HA GLU S 101 34.772 -18.345 13.920 1.00 0.00 H new ATOM 0 HB2 GLU S 101 34.773 -18.722 11.216 1.00 0.00 H new ATOM 0 HB3 GLU S 101 36.411 -18.118 11.366 1.00 0.00 H new ATOM 0 HG2 GLU S 101 36.867 -19.856 13.143 1.00 0.00 H new ATOM 0 HG3 GLU S 101 35.243 -20.478 12.931 1.00 0.00 H new ATOM 3280 N GLU S 102 36.745 -15.935 12.957 1.00 0.00 N ATOM 3281 CA GLU S 102 37.927 -15.144 13.383 1.00 0.00 C ATOM 3282 C GLU S 102 37.620 -14.214 14.562 1.00 0.00 C ATOM 3283 O GLU S 102 38.495 -13.912 15.347 1.00 0.00 O ATOM 3284 CB GLU S 102 38.379 -14.284 12.195 1.00 0.00 C ATOM 3285 CG GLU S 102 38.741 -15.198 11.021 1.00 0.00 C ATOM 3286 CD GLU S 102 40.216 -15.005 10.667 1.00 0.00 C ATOM 3287 OE1 GLU S 102 41.026 -15.389 11.497 1.00 0.00 O ATOM 3288 OE2 GLU S 102 40.452 -14.486 9.589 1.00 0.00 O ATOM 0 H GLU S 102 36.256 -15.580 12.135 1.00 0.00 H new ATOM 0 HA GLU S 102 38.700 -15.842 13.704 1.00 0.00 H new ATOM 0 HB2 GLU S 102 37.584 -13.597 11.905 1.00 0.00 H new ATOM 0 HB3 GLU S 102 39.239 -13.676 12.477 1.00 0.00 H new ATOM 0 HG2 GLU S 102 38.551 -16.239 11.283 1.00 0.00 H new ATOM 0 HG3 GLU S 102 38.115 -14.967 10.159 1.00 0.00 H new ATOM 3295 N VAL S 103 36.393 -13.772 14.677 1.00 0.00 N ATOM 3296 CA VAL S 103 36.070 -12.861 15.814 1.00 0.00 C ATOM 3297 C VAL S 103 35.728 -13.626 17.094 1.00 0.00 C ATOM 3298 O VAL S 103 36.106 -13.212 18.173 1.00 0.00 O ATOM 3299 CB VAL S 103 34.884 -11.958 15.425 1.00 0.00 C ATOM 3300 CG1 VAL S 103 33.545 -12.618 15.786 1.00 0.00 C ATOM 3301 CG2 VAL S 103 34.998 -10.647 16.199 1.00 0.00 C ATOM 0 H VAL S 103 35.620 -13.995 14.050 1.00 0.00 H new ATOM 0 HA VAL S 103 36.958 -12.262 16.017 1.00 0.00 H new ATOM 0 HB VAL S 103 34.914 -11.788 14.349 1.00 0.00 H new ATOM 0 HG11 VAL S 103 32.726 -11.958 15.500 1.00 0.00 H new ATOM 0 HG12 VAL S 103 33.451 -13.565 15.254 1.00 0.00 H new ATOM 0 HG13 VAL S 103 33.507 -12.800 16.860 1.00 0.00 H new ATOM 0 HG21 VAL S 103 34.165 -9.995 15.935 1.00 0.00 H new ATOM 0 HG22 VAL S 103 34.973 -10.853 17.269 1.00 0.00 H new ATOM 0 HG23 VAL S 103 35.938 -10.156 15.946 1.00 0.00 H new ATOM 3311 N LEU S 104 35.032 -14.723 16.956 1.00 0.00 N ATOM 3312 CA LEU S 104 34.661 -15.517 18.162 1.00 0.00 C ATOM 3313 C LEU S 104 35.487 -16.794 18.256 1.00 0.00 C ATOM 3314 O LEU S 104 36.452 -16.857 18.989 1.00 0.00 O ATOM 3315 CB LEU S 104 33.178 -15.895 18.047 1.00 0.00 C ATOM 3316 CG LEU S 104 32.333 -14.873 18.814 1.00 0.00 C ATOM 3317 CD1 LEU S 104 30.926 -14.830 18.218 1.00 0.00 C ATOM 3318 CD2 LEU S 104 32.243 -15.295 20.282 1.00 0.00 C ATOM 0 H LEU S 104 34.706 -15.101 16.066 1.00 0.00 H new ATOM 0 HA LEU S 104 34.851 -14.919 19.053 1.00 0.00 H new ATOM 0 HB2 LEU S 104 32.877 -15.919 17.000 1.00 0.00 H new ATOM 0 HB3 LEU S 104 33.014 -16.895 18.449 1.00 0.00 H new ATOM 0 HG LEU S 104 32.794 -13.888 18.740 1.00 0.00 H new ATOM 0 HD11 LEU S 104 30.322 -14.103 18.762 1.00 0.00 H new ATOM 0 HD12 LEU S 104 30.984 -14.541 17.169 1.00 0.00 H new ATOM 0 HD13 LEU S 104 30.467 -15.815 18.298 1.00 0.00 H new ATOM 0 HD21 LEU S 104 31.643 -14.571 20.833 1.00 0.00 H new ATOM 0 HD22 LEU S 104 31.778 -16.278 20.350 1.00 0.00 H new ATOM 0 HD23 LEU S 104 33.244 -15.337 20.711 1.00 0.00 H new ATOM 3330 N LEU S 105 35.094 -17.789 17.510 1.00 0.00 N ATOM 3331 CA LEU S 105 35.851 -19.065 17.550 1.00 0.00 C ATOM 3332 C LEU S 105 37.352 -18.813 17.434 1.00 0.00 C ATOM 3333 O LEU S 105 38.154 -19.684 17.703 1.00 0.00 O ATOM 3334 CB LEU S 105 35.401 -19.933 16.370 1.00 0.00 C ATOM 3335 CG LEU S 105 35.443 -21.404 16.785 1.00 0.00 C ATOM 3336 CD1 LEU S 105 34.133 -21.768 17.487 1.00 0.00 C ATOM 3337 CD2 LEU S 105 35.603 -22.274 15.537 1.00 0.00 C ATOM 0 H LEU S 105 34.290 -17.773 16.882 1.00 0.00 H new ATOM 0 HA LEU S 105 35.656 -19.564 18.499 1.00 0.00 H new ATOM 0 HB2 LEU S 105 34.392 -19.657 16.064 1.00 0.00 H new ATOM 0 HB3 LEU S 105 36.051 -19.766 15.511 1.00 0.00 H new ATOM 0 HG LEU S 105 36.281 -21.571 17.461 1.00 0.00 H new ATOM 0 HD11 LEU S 105 34.159 -22.816 17.785 1.00 0.00 H new ATOM 0 HD12 LEU S 105 34.008 -21.143 18.371 1.00 0.00 H new ATOM 0 HD13 LEU S 105 33.298 -21.605 16.806 1.00 0.00 H new ATOM 0 HD21 LEU S 105 35.634 -23.324 15.827 1.00 0.00 H new ATOM 0 HD22 LEU S 105 34.760 -22.107 14.867 1.00 0.00 H new ATOM 0 HD23 LEU S 105 36.530 -22.011 15.027 1.00 0.00 H new