USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 1002 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: S 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: S 44 THR OG1 : rot 84:sc= 0.858 USER MOD Single : R 16 HIS : no HE2:sc= 0.158 K(o=0.16,f=-1.9) USER MOD Single : R 17 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : R 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : R 28 ASN : amide:sc= -0.335 X(o=-0.34,f=-0.016) USER MOD Single : R 30 TYR OH : rot 180:sc= -0.0158 USER MOD Single : R 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : R 32 ASN :FLIP amide:sc= -0.143 F(o=-1.5!,f=-0.14) USER MOD Single : R 35 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-7.1!) USER MOD Single : R 40 ASN :FLIP amide:sc= -0.0653 F(o=-0.99,f=-0.065) USER MOD Single : R 42 MET CE :methyl -173:sc= 0 (180deg=-0.0868) USER MOD Single : R 44 THR OG1 : rot 160:sc= -0.0324 USER MOD Single : R 53 THR OG1 : rot 100:sc= 0.688 USER MOD Single : R 98 GLN : amide:sc= -0.107 K(o=-0.11,f=-2.2!) USER MOD Single : S 16 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.81) USER MOD Single : S 17 GLN : amide:sc=-0.00057 K(o=-0.00057,f=-1.6!) USER MOD Single : S 27 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0744) USER MOD Single : S 28 ASN :FLIP amide:sc= -1.31 F(o=-1.9!,f=-1.3) USER MOD Single : S 30 TYR OH : rot 133:sc= -2.42! USER MOD Single : S 31 GLN : amide:sc= -0.0759 K(o=-0.076,f=-1.7!) USER MOD Single : S 32 ASN :FLIP amide:sc= -0.216 F(o=-1.3,f=-0.22) USER MOD Single : S 35 HIS : no HD1:sc= -27.4! C(o=-27!,f=-30!) USER MOD Single : S 40 ASN : amide:sc= -0.745 K(o=-0.75,f=-1.7!) USER MOD Single : S 53 THR OG1 : rot 123:sc= 1.25 USER MOD Single : S 98 GLN : amide:sc= -0.264 K(o=-0.26,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 180 N HIS R 16 23.743 -1.299 28.733 1.00 0.00 N ATOM 181 CA HIS R 16 24.803 -0.408 28.195 1.00 0.00 C ATOM 182 C HIS R 16 26.081 -1.199 27.924 1.00 0.00 C ATOM 183 O HIS R 16 27.067 -0.656 27.469 1.00 0.00 O ATOM 184 CB HIS R 16 25.106 0.670 29.241 1.00 0.00 C ATOM 185 CG HIS R 16 25.640 1.921 28.535 1.00 0.00 C ATOM 186 ND1 HIS R 16 26.782 2.023 27.993 1.00 0.00 N ATOM 187 CD2 HIS R 16 25.040 3.152 28.337 1.00 0.00 C ATOM 188 CE1 HIS R 16 26.939 3.189 27.486 1.00 0.00 C ATOM 189 NE2 HIS R 16 25.877 3.958 27.664 1.00 0.00 N ATOM 0 HA HIS R 16 24.458 0.038 27.262 1.00 0.00 H new ATOM 0 HB2 HIS R 16 24.204 0.912 29.803 1.00 0.00 H new ATOM 0 HB3 HIS R 16 25.839 0.302 29.958 1.00 0.00 H new ATOM 0 HD1 HIS R 16 27.479 1.279 27.965 1.00 0.00 H new ATOM 0 HD2 HIS R 16 24.050 3.423 28.672 1.00 0.00 H new ATOM 0 HE1 HIS R 16 27.834 3.507 26.973 1.00 0.00 H new ATOM 197 N GLN R 17 26.034 -2.472 28.212 1.00 0.00 N ATOM 198 CA GLN R 17 27.227 -3.324 27.984 1.00 0.00 C ATOM 199 C GLN R 17 27.373 -3.669 26.502 1.00 0.00 C ATOM 200 O GLN R 17 28.341 -3.298 25.868 1.00 0.00 O ATOM 201 CB GLN R 17 27.039 -4.619 28.787 1.00 0.00 C ATOM 202 CG GLN R 17 27.919 -5.717 28.190 1.00 0.00 C ATOM 203 CD GLN R 17 28.140 -6.810 29.238 1.00 0.00 C ATOM 204 OE1 GLN R 17 29.257 -7.120 29.601 1.00 0.00 O ATOM 205 NE2 GLN R 17 27.104 -7.420 29.748 1.00 0.00 N ATOM 0 H GLN R 17 25.221 -2.954 28.594 1.00 0.00 H new ATOM 0 HA GLN R 17 28.123 -2.790 28.300 1.00 0.00 H new ATOM 0 HB2 GLN R 17 27.302 -4.454 29.832 1.00 0.00 H new ATOM 0 HB3 GLN R 17 25.993 -4.924 28.767 1.00 0.00 H new ATOM 0 HG2 GLN R 17 27.445 -6.137 27.303 1.00 0.00 H new ATOM 0 HG3 GLN R 17 28.876 -5.301 27.874 1.00 0.00 H new ATOM 0 HE21 GLN R 17 26.163 -7.165 29.448 1.00 0.00 H new ATOM 0 HE22 GLN R 17 27.236 -8.152 30.446 1.00 0.00 H new ATOM 214 N GLU R 18 26.401 -4.366 25.978 1.00 0.00 N ATOM 215 CA GLU R 18 26.464 -4.745 24.539 1.00 0.00 C ATOM 216 C GLU R 18 26.652 -3.512 23.657 1.00 0.00 C ATOM 217 O GLU R 18 27.363 -3.559 22.673 1.00 0.00 O ATOM 218 CB GLU R 18 25.148 -5.434 24.158 1.00 0.00 C ATOM 219 CG GLU R 18 23.992 -4.442 24.309 1.00 0.00 C ATOM 220 CD GLU R 18 22.706 -5.203 24.638 1.00 0.00 C ATOM 221 OE1 GLU R 18 22.630 -6.345 24.217 1.00 0.00 O ATOM 222 OE2 GLU R 18 21.873 -4.597 25.293 1.00 0.00 O ATOM 0 H GLU R 18 25.573 -4.687 26.480 1.00 0.00 H new ATOM 0 HA GLU R 18 27.312 -5.413 24.386 1.00 0.00 H new ATOM 0 HB2 GLU R 18 25.199 -5.797 23.131 1.00 0.00 H new ATOM 0 HB3 GLU R 18 24.982 -6.303 24.795 1.00 0.00 H new ATOM 0 HG2 GLU R 18 24.215 -3.725 25.099 1.00 0.00 H new ATOM 0 HG3 GLU R 18 23.865 -3.873 23.388 1.00 0.00 H new ATOM 229 N TRP R 19 26.007 -2.434 24.017 1.00 0.00 N ATOM 230 CA TRP R 19 26.141 -1.191 23.207 1.00 0.00 C ATOM 231 C TRP R 19 27.594 -0.973 22.794 1.00 0.00 C ATOM 232 O TRP R 19 27.861 -0.422 21.749 1.00 0.00 O ATOM 233 CB TRP R 19 25.670 -0.014 24.063 1.00 0.00 C ATOM 234 CG TRP R 19 25.729 1.273 23.245 1.00 0.00 C ATOM 235 CD1 TRP R 19 26.721 2.178 23.326 1.00 0.00 C ATOM 236 CD2 TRP R 19 24.792 1.692 22.386 1.00 0.00 C ATOM 237 NE1 TRP R 19 26.342 3.138 22.492 1.00 0.00 N ATOM 238 CE2 TRP R 19 25.159 2.926 21.874 1.00 0.00 C ATOM 239 CE3 TRP R 19 23.581 1.129 21.995 1.00 0.00 C ATOM 240 CZ2 TRP R 19 24.339 3.588 20.995 1.00 0.00 C ATOM 241 CZ3 TRP R 19 22.759 1.814 21.113 1.00 0.00 C ATOM 242 CH2 TRP R 19 23.145 3.041 20.617 1.00 0.00 C ATOM 0 H TRP R 19 25.397 -2.362 24.832 1.00 0.00 H new ATOM 0 HA TRP R 19 25.539 -1.276 22.302 1.00 0.00 H new ATOM 0 HB2 TRP R 19 24.652 -0.189 24.410 1.00 0.00 H new ATOM 0 HB3 TRP R 19 26.298 0.078 24.949 1.00 0.00 H new ATOM 0 HD1 TRP R 19 27.616 2.134 23.929 1.00 0.00 H new ATOM 0 HE1 TRP R 19 26.902 3.975 22.329 1.00 0.00 H new ATOM 0 HE3 TRP R 19 23.283 0.164 22.376 1.00 0.00 H new ATOM 0 HZ2 TRP R 19 24.639 4.547 20.600 1.00 0.00 H new ATOM 0 HZ3 TRP R 19 21.814 1.385 20.814 1.00 0.00 H new ATOM 0 HH2 TRP R 19 22.503 3.571 19.929 1.00 0.00 H new ATOM 253 N LEU R 20 28.502 -1.386 23.640 1.00 0.00 N ATOM 254 CA LEU R 20 29.948 -1.219 23.315 1.00 0.00 C ATOM 255 C LEU R 20 30.591 -2.578 23.084 1.00 0.00 C ATOM 256 O LEU R 20 30.984 -2.908 21.982 1.00 0.00 O ATOM 257 CB LEU R 20 30.665 -0.553 24.499 1.00 0.00 C ATOM 258 CG LEU R 20 29.940 0.735 24.901 1.00 0.00 C ATOM 259 CD1 LEU R 20 30.520 1.231 26.226 1.00 0.00 C ATOM 260 CD2 LEU R 20 30.154 1.810 23.829 1.00 0.00 C ATOM 0 H LEU R 20 28.305 -1.829 24.537 1.00 0.00 H new ATOM 0 HA LEU R 20 30.034 -0.606 22.418 1.00 0.00 H new ATOM 0 HB2 LEU R 20 30.699 -1.239 25.345 1.00 0.00 H new ATOM 0 HB3 LEU R 20 31.697 -0.329 24.229 1.00 0.00 H new ATOM 0 HG LEU R 20 28.873 0.536 25.003 1.00 0.00 H new ATOM 0 HD11 LEU R 20 30.013 2.148 26.525 1.00 0.00 H new ATOM 0 HD12 LEU R 20 30.376 0.471 26.994 1.00 0.00 H new ATOM 0 HD13 LEU R 20 31.585 1.428 26.106 1.00 0.00 H new ATOM 0 HD21 LEU R 20 29.636 2.723 24.121 1.00 0.00 H new ATOM 0 HD22 LEU R 20 31.220 2.014 23.726 1.00 0.00 H new ATOM 0 HD23 LEU R 20 29.759 1.458 22.876 1.00 0.00 H new ATOM 272 N ARG R 21 30.674 -3.335 24.143 1.00 0.00 N ATOM 273 CA ARG R 21 31.282 -4.691 24.069 1.00 0.00 C ATOM 274 C ARG R 21 31.033 -5.382 22.731 1.00 0.00 C ATOM 275 O ARG R 21 31.937 -5.961 22.168 1.00 0.00 O ATOM 276 CB ARG R 21 30.653 -5.550 25.168 1.00 0.00 C ATOM 277 CG ARG R 21 31.713 -6.499 25.732 1.00 0.00 C ATOM 278 CD ARG R 21 31.022 -7.608 26.528 1.00 0.00 C ATOM 279 NE ARG R 21 31.780 -7.842 27.789 1.00 0.00 N ATOM 280 CZ ARG R 21 32.825 -8.624 27.772 1.00 0.00 C ATOM 281 NH1 ARG R 21 33.795 -8.362 26.941 1.00 0.00 N ATOM 282 NH2 ARG R 21 32.863 -9.643 28.586 1.00 0.00 N ATOM 0 H ARG R 21 30.341 -3.066 25.069 1.00 0.00 H new ATOM 0 HA ARG R 21 32.360 -4.578 24.188 1.00 0.00 H new ATOM 0 HB2 ARG R 21 30.257 -4.915 25.961 1.00 0.00 H new ATOM 0 HB3 ARG R 21 29.815 -6.119 24.767 1.00 0.00 H new ATOM 0 HG2 ARG R 21 32.302 -6.929 24.922 1.00 0.00 H new ATOM 0 HG3 ARG R 21 32.405 -5.952 26.373 1.00 0.00 H new ATOM 0 HD2 ARG R 21 29.994 -7.325 26.753 1.00 0.00 H new ATOM 0 HD3 ARG R 21 30.979 -8.524 25.939 1.00 0.00 H new ATOM 0 HE ARG R 21 31.485 -7.395 28.657 1.00 0.00 H new ATOM 0 HH11 ARG R 21 33.729 -7.557 26.318 1.00 0.00 H new ATOM 0 HH12 ARG R 21 34.619 -8.962 26.914 1.00 0.00 H new ATOM 0 HH21 ARG R 21 32.084 -9.818 29.221 1.00 0.00 H new ATOM 0 HH22 ARG R 21 33.671 -10.265 28.587 1.00 0.00 H new ATOM 296 N PHE R 22 29.823 -5.309 22.243 1.00 0.00 N ATOM 297 CA PHE R 22 29.528 -5.971 20.940 1.00 0.00 C ATOM 298 C PHE R 22 29.671 -5.015 19.758 1.00 0.00 C ATOM 299 O PHE R 22 30.431 -5.277 18.840 1.00 0.00 O ATOM 300 CB PHE R 22 28.091 -6.498 20.986 1.00 0.00 C ATOM 301 CG PHE R 22 28.131 -8.028 21.006 1.00 0.00 C ATOM 302 CD1 PHE R 22 28.196 -8.710 22.206 1.00 0.00 C ATOM 303 CD2 PHE R 22 28.120 -8.747 19.823 1.00 0.00 C ATOM 304 CE1 PHE R 22 28.254 -10.089 22.225 1.00 0.00 C ATOM 305 CE2 PHE R 22 28.174 -10.126 19.843 1.00 0.00 C ATOM 306 CZ PHE R 22 28.241 -10.798 21.044 1.00 0.00 C ATOM 0 H PHE R 22 29.038 -4.828 22.682 1.00 0.00 H new ATOM 0 HA PHE R 22 30.247 -6.778 20.796 1.00 0.00 H new ATOM 0 HB2 PHE R 22 27.578 -6.122 21.871 1.00 0.00 H new ATOM 0 HB3 PHE R 22 27.531 -6.146 20.120 1.00 0.00 H new ATOM 0 HD1 PHE R 22 28.201 -8.160 23.136 1.00 0.00 H new ATOM 0 HD2 PHE R 22 28.069 -8.226 18.879 1.00 0.00 H new ATOM 0 HE1 PHE R 22 28.310 -10.613 23.168 1.00 0.00 H new ATOM 0 HE2 PHE R 22 28.164 -10.679 18.916 1.00 0.00 H new ATOM 0 HZ PHE R 22 28.283 -11.877 21.059 1.00 0.00 H new ATOM 316 N VAL R 23 28.933 -3.935 19.788 1.00 0.00 N ATOM 317 CA VAL R 23 29.023 -2.961 18.665 1.00 0.00 C ATOM 318 C VAL R 23 30.472 -2.786 18.227 1.00 0.00 C ATOM 319 O VAL R 23 30.757 -2.665 17.053 1.00 0.00 O ATOM 320 CB VAL R 23 28.469 -1.614 19.137 1.00 0.00 C ATOM 321 CG1 VAL R 23 28.458 -0.638 17.959 1.00 0.00 C ATOM 322 CG2 VAL R 23 27.038 -1.817 19.640 1.00 0.00 C ATOM 0 H VAL R 23 28.280 -3.689 20.532 1.00 0.00 H new ATOM 0 HA VAL R 23 28.446 -3.333 17.819 1.00 0.00 H new ATOM 0 HB VAL R 23 29.090 -1.214 19.939 1.00 0.00 H new ATOM 0 HG11 VAL R 23 28.065 0.324 18.287 1.00 0.00 H new ATOM 0 HG12 VAL R 23 29.474 -0.506 17.586 1.00 0.00 H new ATOM 0 HG13 VAL R 23 27.828 -1.035 17.163 1.00 0.00 H new ATOM 0 HG21 VAL R 23 26.633 -0.864 19.979 1.00 0.00 H new ATOM 0 HG22 VAL R 23 26.420 -2.207 18.831 1.00 0.00 H new ATOM 0 HG23 VAL R 23 27.041 -2.525 20.468 1.00 0.00 H new ATOM 332 N ASP R 24 31.367 -2.783 19.179 1.00 0.00 N ATOM 333 CA ASP R 24 32.796 -2.622 18.817 1.00 0.00 C ATOM 334 C ASP R 24 33.227 -3.789 17.940 1.00 0.00 C ATOM 335 O ASP R 24 33.936 -3.608 16.973 1.00 0.00 O ATOM 336 CB ASP R 24 33.643 -2.618 20.096 1.00 0.00 C ATOM 337 CG ASP R 24 34.280 -3.995 20.286 1.00 0.00 C ATOM 338 OD1 ASP R 24 35.232 -4.256 19.568 1.00 0.00 O ATOM 339 OD2 ASP R 24 33.777 -4.712 21.136 1.00 0.00 O ATOM 0 H ASP R 24 31.171 -2.884 20.175 1.00 0.00 H new ATOM 0 HA ASP R 24 32.934 -1.685 18.278 1.00 0.00 H new ATOM 0 HB2 ASP R 24 34.417 -1.853 20.031 1.00 0.00 H new ATOM 0 HB3 ASP R 24 33.021 -2.371 20.957 1.00 0.00 H new ATOM 344 N LEU R 25 32.798 -4.973 18.299 1.00 0.00 N ATOM 345 CA LEU R 25 33.183 -6.149 17.482 1.00 0.00 C ATOM 346 C LEU R 25 32.806 -5.891 16.030 1.00 0.00 C ATOM 347 O LEU R 25 33.494 -6.298 15.120 1.00 0.00 O ATOM 348 CB LEU R 25 32.428 -7.386 17.993 1.00 0.00 C ATOM 349 CG LEU R 25 32.736 -7.580 19.480 1.00 0.00 C ATOM 350 CD1 LEU R 25 31.986 -8.812 19.999 1.00 0.00 C ATOM 351 CD2 LEU R 25 34.241 -7.791 19.669 1.00 0.00 C ATOM 0 H LEU R 25 32.209 -5.168 19.108 1.00 0.00 H new ATOM 0 HA LEU R 25 34.257 -6.319 17.558 1.00 0.00 H new ATOM 0 HB2 LEU R 25 31.356 -7.260 17.844 1.00 0.00 H new ATOM 0 HB3 LEU R 25 32.727 -8.269 17.428 1.00 0.00 H new ATOM 0 HG LEU R 25 32.419 -6.696 20.033 1.00 0.00 H new ATOM 0 HD11 LEU R 25 32.204 -8.952 21.058 1.00 0.00 H new ATOM 0 HD12 LEU R 25 30.914 -8.668 19.865 1.00 0.00 H new ATOM 0 HD13 LEU R 25 32.306 -9.694 19.443 1.00 0.00 H new ATOM 0 HD21 LEU R 25 34.459 -7.929 20.728 1.00 0.00 H new ATOM 0 HD22 LEU R 25 34.557 -8.675 19.115 1.00 0.00 H new ATOM 0 HD23 LEU R 25 34.780 -6.919 19.298 1.00 0.00 H new ATOM 363 N LEU R 26 31.707 -5.224 15.829 1.00 0.00 N ATOM 364 CA LEU R 26 31.310 -4.947 14.427 1.00 0.00 C ATOM 365 C LEU R 26 32.504 -4.322 13.708 1.00 0.00 C ATOM 366 O LEU R 26 32.691 -4.491 12.516 1.00 0.00 O ATOM 367 CB LEU R 26 30.139 -3.956 14.425 1.00 0.00 C ATOM 368 CG LEU R 26 29.549 -3.877 13.014 1.00 0.00 C ATOM 369 CD1 LEU R 26 28.452 -4.936 12.869 1.00 0.00 C ATOM 370 CD2 LEU R 26 28.936 -2.490 12.794 1.00 0.00 C ATOM 0 H LEU R 26 31.083 -4.868 16.553 1.00 0.00 H new ATOM 0 HA LEU R 26 31.007 -5.866 13.926 1.00 0.00 H new ATOM 0 HB2 LEU R 26 29.375 -4.275 15.134 1.00 0.00 H new ATOM 0 HB3 LEU R 26 30.480 -2.971 14.745 1.00 0.00 H new ATOM 0 HG LEU R 26 30.335 -4.051 12.279 1.00 0.00 H new ATOM 0 HD11 LEU R 26 28.028 -4.885 11.866 1.00 0.00 H new ATOM 0 HD12 LEU R 26 28.878 -5.926 13.033 1.00 0.00 H new ATOM 0 HD13 LEU R 26 27.669 -4.752 13.604 1.00 0.00 H new ATOM 0 HD21 LEU R 26 28.516 -2.433 11.790 1.00 0.00 H new ATOM 0 HD22 LEU R 26 28.148 -2.320 13.527 1.00 0.00 H new ATOM 0 HD23 LEU R 26 29.708 -1.729 12.908 1.00 0.00 H new ATOM 382 N LYS R 27 33.294 -3.611 14.471 1.00 0.00 N ATOM 383 CA LYS R 27 34.491 -2.951 13.894 1.00 0.00 C ATOM 384 C LYS R 27 35.580 -3.987 13.635 1.00 0.00 C ATOM 385 O LYS R 27 36.378 -3.837 12.731 1.00 0.00 O ATOM 386 CB LYS R 27 34.986 -1.881 14.897 1.00 0.00 C ATOM 387 CG LYS R 27 36.244 -2.353 15.649 1.00 0.00 C ATOM 388 CD LYS R 27 36.558 -1.385 16.806 1.00 0.00 C ATOM 389 CE LYS R 27 37.841 -0.607 16.496 1.00 0.00 C ATOM 390 NZ LYS R 27 39.037 -1.471 16.708 1.00 0.00 N ATOM 0 H LYS R 27 33.157 -3.462 15.471 1.00 0.00 H new ATOM 0 HA LYS R 27 34.242 -2.477 12.944 1.00 0.00 H new ATOM 0 HB2 LYS R 27 35.205 -0.955 14.365 1.00 0.00 H new ATOM 0 HB3 LYS R 27 34.195 -1.658 15.613 1.00 0.00 H new ATOM 0 HG2 LYS R 27 36.090 -3.360 16.037 1.00 0.00 H new ATOM 0 HG3 LYS R 27 37.091 -2.402 14.964 1.00 0.00 H new ATOM 0 HD2 LYS R 27 35.728 -0.693 16.950 1.00 0.00 H new ATOM 0 HD3 LYS R 27 36.674 -1.941 17.736 1.00 0.00 H new ATOM 0 HE2 LYS R 27 37.819 -0.252 15.466 1.00 0.00 H new ATOM 0 HE3 LYS R 27 37.903 0.274 17.135 1.00 0.00 H new ATOM 0 HZ1 LYS R 27 39.899 -0.930 16.494 1.00 0.00 H new ATOM 0 HZ2 LYS R 27 39.065 -1.789 17.698 1.00 0.00 H new ATOM 0 HZ3 LYS R 27 38.983 -2.298 16.080 1.00 0.00 H new ATOM 404 N ASN R 28 35.597 -5.025 14.433 1.00 0.00 N ATOM 405 CA ASN R 28 36.635 -6.063 14.221 1.00 0.00 C ATOM 406 C ASN R 28 36.466 -6.665 12.835 1.00 0.00 C ATOM 407 O ASN R 28 37.416 -6.795 12.096 1.00 0.00 O ATOM 408 CB ASN R 28 36.492 -7.160 15.276 1.00 0.00 C ATOM 409 CG ASN R 28 37.572 -6.983 16.343 1.00 0.00 C ATOM 410 OD1 ASN R 28 38.121 -7.939 16.850 1.00 0.00 O ATOM 411 ND2 ASN R 28 37.903 -5.778 16.713 1.00 0.00 N ATOM 0 H ASN R 28 34.950 -5.192 15.204 1.00 0.00 H new ATOM 0 HA ASN R 28 37.623 -5.611 14.307 1.00 0.00 H new ATOM 0 HB2 ASN R 28 35.503 -7.114 15.733 1.00 0.00 H new ATOM 0 HB3 ASN R 28 36.583 -8.141 14.810 1.00 0.00 H new ATOM 0 HD21 ASN R 28 38.620 -5.642 17.425 1.00 0.00 H new ATOM 0 HD22 ASN R 28 37.445 -4.971 16.290 1.00 0.00 H new ATOM 418 N ALA R 29 35.260 -7.043 12.511 1.00 0.00 N ATOM 419 CA ALA R 29 35.030 -7.634 11.166 1.00 0.00 C ATOM 420 C ALA R 29 35.364 -6.617 10.086 1.00 0.00 C ATOM 421 O ALA R 29 36.015 -6.937 9.125 1.00 0.00 O ATOM 422 CB ALA R 29 33.555 -8.029 11.064 1.00 0.00 C ATOM 0 H ALA R 29 34.437 -6.970 13.109 1.00 0.00 H new ATOM 0 HA ALA R 29 35.667 -8.508 11.028 1.00 0.00 H new ATOM 0 HB1 ALA R 29 33.362 -8.466 10.084 1.00 0.00 H new ATOM 0 HB2 ALA R 29 33.319 -8.758 11.839 1.00 0.00 H new ATOM 0 HB3 ALA R 29 32.932 -7.145 11.196 1.00 0.00 H new ATOM 428 N TYR R 30 34.933 -5.402 10.238 1.00 0.00 N ATOM 429 CA TYR R 30 35.279 -4.436 9.168 1.00 0.00 C ATOM 430 C TYR R 30 36.755 -4.538 8.841 1.00 0.00 C ATOM 431 O TYR R 30 37.071 -4.906 7.710 1.00 0.00 O ATOM 432 CB TYR R 30 34.999 -2.989 9.635 1.00 0.00 C ATOM 433 CG TYR R 30 33.617 -2.534 9.163 1.00 0.00 C ATOM 434 CD1 TYR R 30 33.385 -2.265 7.829 1.00 0.00 C ATOM 435 CD2 TYR R 30 32.587 -2.368 10.068 1.00 0.00 C ATOM 436 CE1 TYR R 30 32.142 -1.839 7.405 1.00 0.00 C ATOM 437 CE2 TYR R 30 31.345 -1.943 9.643 1.00 0.00 C ATOM 438 CZ TYR R 30 31.111 -1.673 8.312 1.00 0.00 C ATOM 439 OH TYR R 30 29.869 -1.240 7.892 1.00 0.00 O ATOM 0 H TYR R 30 34.381 -5.046 11.019 1.00 0.00 H new ATOM 0 HA TYR R 30 34.673 -4.671 8.293 1.00 0.00 H new ATOM 0 HB2 TYR R 30 35.055 -2.934 10.722 1.00 0.00 H new ATOM 0 HB3 TYR R 30 35.763 -2.319 9.242 1.00 0.00 H new ATOM 0 HD1 TYR R 30 34.182 -2.389 7.111 1.00 0.00 H new ATOM 0 HD2 TYR R 30 32.755 -2.572 11.115 1.00 0.00 H new ATOM 0 HE1 TYR R 30 31.974 -1.634 6.358 1.00 0.00 H new ATOM 0 HE2 TYR R 30 30.548 -1.821 10.361 1.00 0.00 H new ATOM 0 HH TYR R 30 29.266 -1.181 8.662 1.00 0.00 H new ATOM 449 N GLN R 31 37.549 -4.538 9.922 1.00 0.00 N ATOM 450 CA GLN R 31 39.046 -4.612 9.834 1.00 0.00 C ATOM 451 C GLN R 31 39.483 -4.780 8.414 1.00 0.00 C ATOM 452 O GLN R 31 40.151 -3.917 7.878 1.00 0.00 O ATOM 453 CB GLN R 31 39.525 -5.829 10.636 1.00 0.00 C ATOM 454 CG GLN R 31 41.001 -6.085 10.335 1.00 0.00 C ATOM 455 CD GLN R 31 41.672 -6.680 11.575 1.00 0.00 C ATOM 456 OE1 GLN R 31 41.724 -7.881 11.749 1.00 0.00 O ATOM 457 NE2 GLN R 31 42.197 -5.877 12.460 1.00 0.00 N ATOM 0 H GLN R 31 37.195 -4.488 10.877 1.00 0.00 H new ATOM 0 HA GLN R 31 39.469 -3.689 10.231 1.00 0.00 H new ATOM 0 HB2 GLN R 31 39.385 -5.654 11.703 1.00 0.00 H new ATOM 0 HB3 GLN R 31 38.932 -6.706 10.376 1.00 0.00 H new ATOM 0 HG2 GLN R 31 41.099 -6.768 9.491 1.00 0.00 H new ATOM 0 HG3 GLN R 31 41.493 -5.155 10.052 1.00 0.00 H new ATOM 0 HE21 GLN R 31 42.157 -4.867 12.320 1.00 0.00 H new ATOM 0 HE22 GLN R 31 42.647 -6.259 13.292 1.00 0.00 H new ATOM 466 N ASN R 32 39.114 -5.859 7.825 1.00 0.00 N ATOM 467 CA ASN R 32 39.517 -6.047 6.424 1.00 0.00 C ATOM 468 C ASN R 32 38.248 -5.856 5.580 1.00 0.00 C ATOM 469 O ASN R 32 37.896 -4.750 5.225 1.00 0.00 O ATOM 470 CB ASN R 32 40.080 -7.486 6.332 1.00 0.00 C ATOM 471 CG ASN R 32 41.159 -7.557 5.247 1.00 0.00 C ATOM 472 OD1 ASN R 32 41.250 -6.592 4.375 1.00 0.00 O flip ATOM 473 ND2 ASN R 32 41.926 -8.495 5.187 1.00 0.00 N flip ATOM 0 H ASN R 32 38.561 -6.609 8.240 1.00 0.00 H new ATOM 0 HA ASN R 32 40.276 -5.349 6.069 1.00 0.00 H new ATOM 0 HB2 ASN R 32 40.499 -7.784 7.293 1.00 0.00 H new ATOM 0 HB3 ASN R 32 39.276 -8.186 6.104 1.00 0.00 H new ATOM 0 HD21 ASN R 32 41.859 -9.253 5.867 1.00 0.00 H new ATOM 0 HD22 ASN R 32 42.638 -8.526 4.457 1.00 0.00 H new ATOM 480 N ASP R 33 37.603 -6.928 5.279 1.00 0.00 N ATOM 481 CA ASP R 33 36.363 -6.892 4.484 1.00 0.00 C ATOM 482 C ASP R 33 35.365 -7.784 5.191 1.00 0.00 C ATOM 483 O ASP R 33 34.360 -8.167 4.626 1.00 0.00 O ATOM 484 CB ASP R 33 36.639 -7.446 3.091 1.00 0.00 C ATOM 485 CG ASP R 33 37.416 -6.414 2.268 1.00 0.00 C ATOM 486 OD1 ASP R 33 37.285 -5.247 2.596 1.00 0.00 O ATOM 487 OD2 ASP R 33 38.092 -6.854 1.353 1.00 0.00 O ATOM 0 H ASP R 33 37.894 -7.864 5.561 1.00 0.00 H new ATOM 0 HA ASP R 33 35.985 -5.874 4.387 1.00 0.00 H new ATOM 0 HB2 ASP R 33 37.210 -8.371 3.164 1.00 0.00 H new ATOM 0 HB3 ASP R 33 35.700 -7.689 2.594 1.00 0.00 H new ATOM 492 N LEU R 34 35.663 -8.104 6.424 1.00 0.00 N ATOM 493 CA LEU R 34 34.731 -9.009 7.160 1.00 0.00 C ATOM 494 C LEU R 34 33.413 -8.390 7.620 1.00 0.00 C ATOM 495 O LEU R 34 32.696 -8.988 8.398 1.00 0.00 O ATOM 496 CB LEU R 34 35.514 -9.643 8.319 1.00 0.00 C ATOM 497 CG LEU R 34 36.270 -10.888 7.808 1.00 0.00 C ATOM 498 CD1 LEU R 34 37.073 -10.539 6.540 1.00 0.00 C ATOM 499 CD2 LEU R 34 37.249 -11.346 8.899 1.00 0.00 C ATOM 0 H LEU R 34 36.485 -7.790 6.940 1.00 0.00 H new ATOM 0 HA LEU R 34 34.390 -9.763 6.451 1.00 0.00 H new ATOM 0 HB2 LEU R 34 36.218 -8.922 8.734 1.00 0.00 H new ATOM 0 HB3 LEU R 34 34.833 -9.922 9.123 1.00 0.00 H new ATOM 0 HG LEU R 34 35.553 -11.675 7.574 1.00 0.00 H new ATOM 0 HD11 LEU R 34 37.602 -11.425 6.189 1.00 0.00 H new ATOM 0 HD12 LEU R 34 36.393 -10.191 5.763 1.00 0.00 H new ATOM 0 HD13 LEU R 34 37.793 -9.754 6.770 1.00 0.00 H new ATOM 0 HD21 LEU R 34 37.792 -12.226 8.554 1.00 0.00 H new ATOM 0 HD22 LEU R 34 37.956 -10.544 9.114 1.00 0.00 H new ATOM 0 HD23 LEU R 34 36.695 -11.593 9.804 1.00 0.00 H new ATOM 511 N HIS R 35 33.104 -7.222 7.142 1.00 0.00 N ATOM 512 CA HIS R 35 31.816 -6.601 7.567 1.00 0.00 C ATOM 513 C HIS R 35 30.695 -7.033 6.631 1.00 0.00 C ATOM 514 O HIS R 35 29.672 -7.510 7.063 1.00 0.00 O ATOM 515 CB HIS R 35 31.898 -5.076 7.478 1.00 0.00 C ATOM 516 CG HIS R 35 32.347 -4.663 6.073 1.00 0.00 C ATOM 517 ND1 HIS R 35 33.520 -4.780 5.605 1.00 0.00 N ATOM 518 CD2 HIS R 35 31.610 -4.101 5.047 1.00 0.00 C ATOM 519 CE1 HIS R 35 33.569 -4.346 4.399 1.00 0.00 C ATOM 520 NE2 HIS R 35 32.398 -3.901 3.980 1.00 0.00 N ATOM 0 H HIS R 35 33.669 -6.678 6.491 1.00 0.00 H new ATOM 0 HA HIS R 35 31.622 -6.919 8.592 1.00 0.00 H new ATOM 0 HB2 HIS R 35 30.926 -4.636 7.703 1.00 0.00 H new ATOM 0 HB3 HIS R 35 32.600 -4.696 8.221 1.00 0.00 H new ATOM 0 HD2 HIS R 35 30.559 -3.859 5.097 1.00 0.00 H new ATOM 0 HE1 HIS R 35 34.465 -4.345 3.796 1.00 0.00 H new ATOM 0 HE2 HIS R 35 32.154 -3.505 3.072 1.00 0.00 H new ATOM 528 N LEU R 36 30.942 -6.898 5.354 1.00 0.00 N ATOM 529 CA LEU R 36 29.905 -7.289 4.358 1.00 0.00 C ATOM 530 C LEU R 36 29.197 -8.612 4.689 1.00 0.00 C ATOM 531 O LEU R 36 27.984 -8.648 4.736 1.00 0.00 O ATOM 532 CB LEU R 36 30.541 -7.401 2.964 1.00 0.00 C ATOM 533 CG LEU R 36 29.929 -6.336 2.047 1.00 0.00 C ATOM 534 CD1 LEU R 36 30.590 -6.420 0.671 1.00 0.00 C ATOM 535 CD2 LEU R 36 28.426 -6.598 1.894 1.00 0.00 C ATOM 0 H LEU R 36 31.811 -6.536 4.961 1.00 0.00 H new ATOM 0 HA LEU R 36 29.148 -6.506 4.385 1.00 0.00 H new ATOM 0 HB2 LEU R 36 31.620 -7.264 3.031 1.00 0.00 H new ATOM 0 HB3 LEU R 36 30.371 -8.395 2.552 1.00 0.00 H new ATOM 0 HG LEU R 36 30.089 -5.348 2.478 1.00 0.00 H new ATOM 0 HD11 LEU R 36 30.159 -5.665 0.014 1.00 0.00 H new ATOM 0 HD12 LEU R 36 31.661 -6.246 0.771 1.00 0.00 H new ATOM 0 HD13 LEU R 36 30.422 -7.410 0.246 1.00 0.00 H new ATOM 0 HD21 LEU R 36 27.989 -5.841 1.242 1.00 0.00 H new ATOM 0 HD22 LEU R 36 28.271 -7.585 1.459 1.00 0.00 H new ATOM 0 HD23 LEU R 36 27.948 -6.554 2.872 1.00 0.00 H new ATOM 547 N PRO R 37 29.937 -9.681 4.914 1.00 0.00 N ATOM 548 CA PRO R 37 29.305 -10.972 5.230 1.00 0.00 C ATOM 549 C PRO R 37 28.275 -10.878 6.361 1.00 0.00 C ATOM 550 O PRO R 37 27.089 -10.936 6.109 1.00 0.00 O ATOM 551 CB PRO R 37 30.467 -11.894 5.622 1.00 0.00 C ATOM 552 CG PRO R 37 31.783 -11.165 5.261 1.00 0.00 C ATOM 553 CD PRO R 37 31.424 -9.718 4.884 1.00 0.00 C ATOM 0 HA PRO R 37 28.740 -11.343 4.375 1.00 0.00 H new ATOM 0 HB2 PRO R 37 30.434 -12.120 6.688 1.00 0.00 H new ATOM 0 HB3 PRO R 37 30.398 -12.844 5.092 1.00 0.00 H new ATOM 0 HG2 PRO R 37 32.473 -11.181 6.104 1.00 0.00 H new ATOM 0 HG3 PRO R 37 32.282 -11.665 4.431 1.00 0.00 H new ATOM 0 HD2 PRO R 37 31.853 -9.006 5.590 1.00 0.00 H new ATOM 0 HD3 PRO R 37 31.807 -9.459 3.897 1.00 0.00 H new ATOM 561 N LEU R 38 28.723 -10.735 7.581 1.00 0.00 N ATOM 562 CA LEU R 38 27.733 -10.648 8.687 1.00 0.00 C ATOM 563 C LEU R 38 26.858 -9.423 8.529 1.00 0.00 C ATOM 564 O LEU R 38 25.672 -9.478 8.783 1.00 0.00 O ATOM 565 CB LEU R 38 28.467 -10.588 10.029 1.00 0.00 C ATOM 566 CG LEU R 38 29.343 -9.334 10.096 1.00 0.00 C ATOM 567 CD1 LEU R 38 28.644 -8.254 10.934 1.00 0.00 C ATOM 568 CD2 LEU R 38 30.656 -9.691 10.770 1.00 0.00 C ATOM 0 H LEU R 38 29.704 -10.676 7.852 1.00 0.00 H new ATOM 0 HA LEU R 38 27.098 -11.533 8.655 1.00 0.00 H new ATOM 0 HB2 LEU R 38 27.746 -10.581 10.846 1.00 0.00 H new ATOM 0 HB3 LEU R 38 29.083 -11.478 10.155 1.00 0.00 H new ATOM 0 HG LEU R 38 29.517 -8.960 9.087 1.00 0.00 H new ATOM 0 HD11 LEU R 38 29.272 -7.364 10.978 1.00 0.00 H new ATOM 0 HD12 LEU R 38 27.688 -8.001 10.476 1.00 0.00 H new ATOM 0 HD13 LEU R 38 28.475 -8.629 11.943 1.00 0.00 H new ATOM 0 HD21 LEU R 38 31.290 -8.806 10.824 1.00 0.00 H new ATOM 0 HD22 LEU R 38 30.460 -10.059 11.777 1.00 0.00 H new ATOM 0 HD23 LEU R 38 31.162 -10.465 10.193 1.00 0.00 H new ATOM 580 N LEU R 39 27.455 -8.330 8.142 1.00 0.00 N ATOM 581 CA LEU R 39 26.633 -7.095 7.965 1.00 0.00 C ATOM 582 C LEU R 39 25.340 -7.457 7.239 1.00 0.00 C ATOM 583 O LEU R 39 24.286 -6.915 7.515 1.00 0.00 O ATOM 584 CB LEU R 39 27.421 -6.087 7.111 1.00 0.00 C ATOM 585 CG LEU R 39 26.547 -4.875 6.781 1.00 0.00 C ATOM 586 CD1 LEU R 39 26.040 -4.239 8.074 1.00 0.00 C ATOM 587 CD2 LEU R 39 27.392 -3.854 6.018 1.00 0.00 C ATOM 0 H LEU R 39 28.451 -8.235 7.944 1.00 0.00 H new ATOM 0 HA LEU R 39 26.403 -6.660 8.938 1.00 0.00 H new ATOM 0 HB2 LEU R 39 28.314 -5.765 7.647 1.00 0.00 H new ATOM 0 HB3 LEU R 39 27.757 -6.564 6.190 1.00 0.00 H new ATOM 0 HG LEU R 39 25.696 -5.189 6.176 1.00 0.00 H new ATOM 0 HD11 LEU R 39 25.418 -3.376 7.836 1.00 0.00 H new ATOM 0 HD12 LEU R 39 25.452 -4.968 8.632 1.00 0.00 H new ATOM 0 HD13 LEU R 39 26.888 -3.919 8.679 1.00 0.00 H new ATOM 0 HD21 LEU R 39 26.781 -2.984 5.776 1.00 0.00 H new ATOM 0 HD22 LEU R 39 28.235 -3.545 6.636 1.00 0.00 H new ATOM 0 HD23 LEU R 39 27.763 -4.304 5.097 1.00 0.00 H new ATOM 599 N ASN R 40 25.458 -8.377 6.319 1.00 0.00 N ATOM 600 CA ASN R 40 24.264 -8.810 5.549 1.00 0.00 C ATOM 601 C ASN R 40 23.354 -9.678 6.415 1.00 0.00 C ATOM 602 O ASN R 40 22.157 -9.696 6.221 1.00 0.00 O ATOM 603 CB ASN R 40 24.737 -9.634 4.348 1.00 0.00 C ATOM 604 CG ASN R 40 23.765 -9.433 3.186 1.00 0.00 C ATOM 605 OD1 ASN R 40 23.721 -8.272 2.593 1.00 0.00 O flip ATOM 606 ND2 ASN R 40 23.035 -10.328 2.809 1.00 0.00 N flip ATOM 0 H ASN R 40 26.330 -8.845 6.070 1.00 0.00 H new ATOM 0 HA ASN R 40 23.707 -7.931 5.224 1.00 0.00 H new ATOM 0 HB2 ASN R 40 25.741 -9.328 4.055 1.00 0.00 H new ATOM 0 HB3 ASN R 40 24.791 -10.690 4.614 1.00 0.00 H new ATOM 0 HD21 ASN R 40 23.065 -11.238 3.269 1.00 0.00 H new ATOM 0 HD22 ASN R 40 22.392 -10.169 2.033 1.00 0.00 H new ATOM 613 N LEU R 41 23.948 -10.399 7.339 1.00 0.00 N ATOM 614 CA LEU R 41 23.131 -11.278 8.232 1.00 0.00 C ATOM 615 C LEU R 41 21.815 -10.596 8.591 1.00 0.00 C ATOM 616 O LEU R 41 20.794 -11.240 8.729 1.00 0.00 O ATOM 617 CB LEU R 41 23.920 -11.524 9.530 1.00 0.00 C ATOM 618 CG LEU R 41 23.168 -12.523 10.419 1.00 0.00 C ATOM 619 CD1 LEU R 41 23.040 -13.866 9.697 1.00 0.00 C ATOM 620 CD2 LEU R 41 23.957 -12.732 11.712 1.00 0.00 C ATOM 0 H LEU R 41 24.953 -10.416 7.511 1.00 0.00 H new ATOM 0 HA LEU R 41 22.921 -12.215 7.716 1.00 0.00 H new ATOM 0 HB2 LEU R 41 24.912 -11.909 9.295 1.00 0.00 H new ATOM 0 HB3 LEU R 41 24.061 -10.584 10.064 1.00 0.00 H new ATOM 0 HG LEU R 41 22.175 -12.132 10.640 1.00 0.00 H new ATOM 0 HD11 LEU R 41 22.505 -14.571 10.333 1.00 0.00 H new ATOM 0 HD12 LEU R 41 22.490 -13.728 8.766 1.00 0.00 H new ATOM 0 HD13 LEU R 41 24.033 -14.257 9.477 1.00 0.00 H new ATOM 0 HD21 LEU R 41 23.429 -13.441 12.350 1.00 0.00 H new ATOM 0 HD22 LEU R 41 24.946 -13.124 11.475 1.00 0.00 H new ATOM 0 HD23 LEU R 41 24.059 -11.781 12.234 1.00 0.00 H new ATOM 632 N MET R 42 21.882 -9.300 8.734 1.00 0.00 N ATOM 633 CA MET R 42 20.658 -8.524 9.084 1.00 0.00 C ATOM 634 C MET R 42 20.440 -7.383 8.093 1.00 0.00 C ATOM 635 O MET R 42 20.329 -6.235 8.478 1.00 0.00 O ATOM 636 CB MET R 42 20.846 -7.930 10.485 1.00 0.00 C ATOM 637 CG MET R 42 21.211 -9.048 11.466 1.00 0.00 C ATOM 638 SD MET R 42 20.163 -10.523 11.473 1.00 0.00 S ATOM 639 CE MET R 42 18.646 -9.719 12.046 1.00 0.00 C ATOM 0 H MET R 42 22.731 -8.745 8.624 1.00 0.00 H new ATOM 0 HA MET R 42 19.793 -9.187 9.052 1.00 0.00 H new ATOM 0 HB2 MET R 42 21.631 -7.174 10.469 1.00 0.00 H new ATOM 0 HB3 MET R 42 19.931 -7.433 10.807 1.00 0.00 H new ATOM 0 HG2 MET R 42 22.233 -9.362 11.254 1.00 0.00 H new ATOM 0 HG3 MET R 42 21.208 -8.628 12.472 1.00 0.00 H new ATOM 0 HE1 MET R 42 17.886 -10.475 12.243 1.00 0.00 H new ATOM 0 HE2 MET R 42 18.852 -9.164 12.961 1.00 0.00 H new ATOM 0 HE3 MET R 42 18.285 -9.034 11.279 1.00 0.00 H new ATOM 649 N LEU R 43 20.383 -7.721 6.832 1.00 0.00 N ATOM 650 CA LEU R 43 20.174 -6.680 5.800 1.00 0.00 C ATOM 651 C LEU R 43 18.679 -6.356 5.664 1.00 0.00 C ATOM 652 O LEU R 43 18.281 -5.571 4.832 1.00 0.00 O ATOM 653 CB LEU R 43 20.790 -7.238 4.484 1.00 0.00 C ATOM 654 CG LEU R 43 19.758 -7.447 3.356 1.00 0.00 C ATOM 655 CD1 LEU R 43 19.484 -6.121 2.633 1.00 0.00 C ATOM 656 CD2 LEU R 43 20.352 -8.428 2.343 1.00 0.00 C ATOM 0 H LEU R 43 20.473 -8.674 6.478 1.00 0.00 H new ATOM 0 HA LEU R 43 20.657 -5.739 6.062 1.00 0.00 H new ATOM 0 HB2 LEU R 43 21.562 -6.552 4.135 1.00 0.00 H new ATOM 0 HB3 LEU R 43 21.280 -8.188 4.697 1.00 0.00 H new ATOM 0 HG LEU R 43 18.829 -7.826 3.781 1.00 0.00 H new ATOM 0 HD11 LEU R 43 18.754 -6.283 1.840 1.00 0.00 H new ATOM 0 HD12 LEU R 43 19.092 -5.393 3.344 1.00 0.00 H new ATOM 0 HD13 LEU R 43 20.411 -5.744 2.202 1.00 0.00 H new ATOM 0 HD21 LEU R 43 19.640 -8.592 1.535 1.00 0.00 H new ATOM 0 HD22 LEU R 43 21.275 -8.016 1.935 1.00 0.00 H new ATOM 0 HD23 LEU R 43 20.565 -9.376 2.837 1.00 0.00 H new ATOM 668 N THR R 44 17.885 -6.960 6.514 1.00 0.00 N ATOM 669 CA THR R 44 16.413 -6.714 6.462 1.00 0.00 C ATOM 670 C THR R 44 16.103 -5.237 6.171 1.00 0.00 C ATOM 671 O THR R 44 16.943 -4.380 6.360 1.00 0.00 O ATOM 672 CB THR R 44 15.819 -7.072 7.829 1.00 0.00 C ATOM 673 OG1 THR R 44 15.038 -5.951 8.203 1.00 0.00 O ATOM 674 CG2 THR R 44 16.911 -7.145 8.901 1.00 0.00 C ATOM 0 H THR R 44 18.192 -7.610 7.238 1.00 0.00 H new ATOM 0 HA THR R 44 15.985 -7.322 5.665 1.00 0.00 H new ATOM 0 HB THR R 44 15.286 -8.020 7.759 1.00 0.00 H new ATOM 0 HG1 THR R 44 14.388 -6.218 8.885 1.00 0.00 H new ATOM 0 HG21 THR R 44 16.462 -7.401 9.861 1.00 0.00 H new ATOM 0 HG22 THR R 44 17.640 -7.908 8.627 1.00 0.00 H new ATOM 0 HG23 THR R 44 17.409 -6.179 8.979 1.00 0.00 H new ATOM 682 N PRO R 45 14.892 -4.961 5.725 1.00 0.00 N ATOM 683 CA PRO R 45 14.480 -3.581 5.412 1.00 0.00 C ATOM 684 C PRO R 45 14.637 -2.653 6.614 1.00 0.00 C ATOM 685 O PRO R 45 14.902 -1.478 6.463 1.00 0.00 O ATOM 686 CB PRO R 45 12.989 -3.690 5.045 1.00 0.00 C ATOM 687 CG PRO R 45 12.582 -5.180 5.154 1.00 0.00 C ATOM 688 CD PRO R 45 13.842 -5.982 5.504 1.00 0.00 C ATOM 0 HA PRO R 45 15.094 -3.163 4.614 1.00 0.00 H new ATOM 0 HB2 PRO R 45 12.385 -3.079 5.716 1.00 0.00 H new ATOM 0 HB3 PRO R 45 12.816 -3.320 4.034 1.00 0.00 H new ATOM 0 HG2 PRO R 45 11.819 -5.313 5.920 1.00 0.00 H new ATOM 0 HG3 PRO R 45 12.155 -5.530 4.214 1.00 0.00 H new ATOM 0 HD2 PRO R 45 13.688 -6.591 6.395 1.00 0.00 H new ATOM 0 HD3 PRO R 45 14.115 -6.662 4.697 1.00 0.00 H new ATOM 696 N ASP R 46 14.469 -3.197 7.787 1.00 0.00 N ATOM 697 CA ASP R 46 14.604 -2.362 9.010 1.00 0.00 C ATOM 698 C ASP R 46 15.991 -1.729 9.109 1.00 0.00 C ATOM 699 O ASP R 46 16.125 -0.578 9.475 1.00 0.00 O ATOM 700 CB ASP R 46 14.393 -3.268 10.228 1.00 0.00 C ATOM 701 CG ASP R 46 15.683 -3.323 11.048 1.00 0.00 C ATOM 702 OD1 ASP R 46 16.540 -4.099 10.658 1.00 0.00 O ATOM 703 OD2 ASP R 46 15.741 -2.585 12.017 1.00 0.00 O ATOM 0 H ASP R 46 14.245 -4.179 7.950 1.00 0.00 H new ATOM 0 HA ASP R 46 13.866 -1.560 8.970 1.00 0.00 H new ATOM 0 HB2 ASP R 46 13.575 -2.888 10.841 1.00 0.00 H new ATOM 0 HB3 ASP R 46 14.111 -4.270 9.905 1.00 0.00 H new ATOM 708 N GLU R 47 16.997 -2.490 8.776 1.00 0.00 N ATOM 709 CA GLU R 47 18.379 -1.941 8.849 1.00 0.00 C ATOM 710 C GLU R 47 18.778 -1.252 7.544 1.00 0.00 C ATOM 711 O GLU R 47 19.199 -0.112 7.546 1.00 0.00 O ATOM 712 CB GLU R 47 19.342 -3.109 9.104 1.00 0.00 C ATOM 713 CG GLU R 47 20.742 -2.561 9.392 1.00 0.00 C ATOM 714 CD GLU R 47 21.706 -3.044 8.308 1.00 0.00 C ATOM 715 OE1 GLU R 47 22.186 -4.155 8.466 1.00 0.00 O ATOM 716 OE2 GLU R 47 21.909 -2.276 7.382 1.00 0.00 O ATOM 0 H GLU R 47 16.924 -3.457 8.460 1.00 0.00 H new ATOM 0 HA GLU R 47 18.422 -1.203 9.650 1.00 0.00 H new ATOM 0 HB2 GLU R 47 18.993 -3.705 9.947 1.00 0.00 H new ATOM 0 HB3 GLU R 47 19.369 -3.768 8.236 1.00 0.00 H new ATOM 0 HG2 GLU R 47 20.721 -1.471 9.417 1.00 0.00 H new ATOM 0 HG3 GLU R 47 21.082 -2.896 10.372 1.00 0.00 H new ATOM 723 N ARG R 48 18.639 -1.957 6.456 1.00 0.00 N ATOM 724 CA ARG R 48 19.006 -1.363 5.143 1.00 0.00 C ATOM 725 C ARG R 48 18.287 -0.033 4.904 1.00 0.00 C ATOM 726 O ARG R 48 18.746 0.791 4.137 1.00 0.00 O ATOM 727 CB ARG R 48 18.595 -2.348 4.043 1.00 0.00 C ATOM 728 CG ARG R 48 18.967 -1.760 2.682 1.00 0.00 C ATOM 729 CD ARG R 48 19.590 -2.856 1.816 1.00 0.00 C ATOM 730 NE ARG R 48 19.925 -2.290 0.480 1.00 0.00 N ATOM 731 CZ ARG R 48 21.157 -2.347 0.054 1.00 0.00 C ATOM 732 NH1 ARG R 48 21.979 -1.382 0.370 1.00 0.00 N ATOM 733 NH2 ARG R 48 21.528 -3.367 -0.672 1.00 0.00 N ATOM 0 H ARG R 48 18.289 -2.914 6.420 1.00 0.00 H new ATOM 0 HA ARG R 48 20.079 -1.174 5.133 1.00 0.00 H new ATOM 0 HB2 ARG R 48 19.096 -3.305 4.189 1.00 0.00 H new ATOM 0 HB3 ARG R 48 17.523 -2.539 4.090 1.00 0.00 H new ATOM 0 HG2 ARG R 48 18.082 -1.353 2.194 1.00 0.00 H new ATOM 0 HG3 ARG R 48 19.669 -0.936 2.808 1.00 0.00 H new ATOM 0 HD2 ARG R 48 20.488 -3.248 2.294 1.00 0.00 H new ATOM 0 HD3 ARG R 48 18.896 -3.690 1.708 1.00 0.00 H new ATOM 0 HE ARG R 48 19.200 -1.863 -0.096 1.00 0.00 H new ATOM 0 HH11 ARG R 48 21.654 -0.601 0.941 1.00 0.00 H new ATOM 0 HH12 ARG R 48 22.946 -1.409 0.046 1.00 0.00 H new ATOM 0 HH21 ARG R 48 20.859 -4.103 -0.898 1.00 0.00 H new ATOM 0 HH22 ARG R 48 22.487 -3.428 -1.014 1.00 0.00 H new ATOM 747 N GLU R 49 17.173 0.150 5.558 1.00 0.00 N ATOM 748 CA GLU R 49 16.416 1.421 5.375 1.00 0.00 C ATOM 749 C GLU R 49 16.928 2.520 6.302 1.00 0.00 C ATOM 750 O GLU R 49 16.679 3.687 6.076 1.00 0.00 O ATOM 751 CB GLU R 49 14.941 1.158 5.712 1.00 0.00 C ATOM 752 CG GLU R 49 14.138 2.445 5.509 1.00 0.00 C ATOM 753 CD GLU R 49 14.185 3.278 6.792 1.00 0.00 C ATOM 754 OE1 GLU R 49 13.894 2.700 7.826 1.00 0.00 O ATOM 755 OE2 GLU R 49 14.507 4.449 6.664 1.00 0.00 O ATOM 0 H GLU R 49 16.757 -0.519 6.206 1.00 0.00 H new ATOM 0 HA GLU R 49 16.543 1.751 4.344 1.00 0.00 H new ATOM 0 HB2 GLU R 49 14.547 0.366 5.076 1.00 0.00 H new ATOM 0 HB3 GLU R 49 14.847 0.816 6.743 1.00 0.00 H new ATOM 0 HG2 GLU R 49 14.548 3.016 4.676 1.00 0.00 H new ATOM 0 HG3 GLU R 49 13.105 2.207 5.254 1.00 0.00 H new ATOM 762 N ALA R 50 17.636 2.129 7.326 1.00 0.00 N ATOM 763 CA ALA R 50 18.166 3.146 8.274 1.00 0.00 C ATOM 764 C ALA R 50 19.592 3.568 7.925 1.00 0.00 C ATOM 765 O ALA R 50 20.010 4.660 8.259 1.00 0.00 O ATOM 766 CB ALA R 50 18.172 2.529 9.677 1.00 0.00 C ATOM 0 H ALA R 50 17.868 1.160 7.545 1.00 0.00 H new ATOM 0 HA ALA R 50 17.531 4.030 8.220 1.00 0.00 H new ATOM 0 HB1 ALA R 50 18.557 3.256 10.392 1.00 0.00 H new ATOM 0 HB2 ALA R 50 17.156 2.249 9.956 1.00 0.00 H new ATOM 0 HB3 ALA R 50 18.807 1.643 9.682 1.00 0.00 H new ATOM 772 N LEU R 51 20.317 2.709 7.263 1.00 0.00 N ATOM 773 CA LEU R 51 21.712 3.073 6.902 1.00 0.00 C ATOM 774 C LEU R 51 21.734 4.303 5.997 1.00 0.00 C ATOM 775 O LEU R 51 22.253 5.339 6.364 1.00 0.00 O ATOM 776 CB LEU R 51 22.355 1.900 6.148 1.00 0.00 C ATOM 777 CG LEU R 51 23.847 2.186 5.935 1.00 0.00 C ATOM 778 CD1 LEU R 51 24.652 0.926 6.261 1.00 0.00 C ATOM 779 CD2 LEU R 51 24.081 2.570 4.473 1.00 0.00 C ATOM 0 H LEU R 51 20.008 1.785 6.961 1.00 0.00 H new ATOM 0 HA LEU R 51 22.262 3.294 7.817 1.00 0.00 H new ATOM 0 HB2 LEU R 51 22.228 0.977 6.713 1.00 0.00 H new ATOM 0 HB3 LEU R 51 21.860 1.756 5.187 1.00 0.00 H new ATOM 0 HG LEU R 51 24.163 3.002 6.585 1.00 0.00 H new ATOM 0 HD11 LEU R 51 25.713 1.124 6.111 1.00 0.00 H new ATOM 0 HD12 LEU R 51 24.479 0.642 7.299 1.00 0.00 H new ATOM 0 HD13 LEU R 51 24.338 0.114 5.605 1.00 0.00 H new ATOM 0 HD21 LEU R 51 25.140 2.775 4.316 1.00 0.00 H new ATOM 0 HD22 LEU R 51 23.770 1.749 3.827 1.00 0.00 H new ATOM 0 HD23 LEU R 51 23.500 3.461 4.233 1.00 0.00 H new ATOM 791 N GLY R 52 21.164 4.163 4.833 1.00 0.00 N ATOM 792 CA GLY R 52 21.140 5.312 3.885 1.00 0.00 C ATOM 793 C GLY R 52 20.640 6.581 4.584 1.00 0.00 C ATOM 794 O GLY R 52 21.129 7.665 4.334 1.00 0.00 O ATOM 0 H GLY R 52 20.717 3.310 4.498 1.00 0.00 H new ATOM 0 HA2 GLY R 52 22.140 5.481 3.485 1.00 0.00 H new ATOM 0 HA3 GLY R 52 20.494 5.078 3.039 1.00 0.00 H new ATOM 798 N THR R 53 19.675 6.418 5.451 1.00 0.00 N ATOM 799 CA THR R 53 19.133 7.600 6.175 1.00 0.00 C ATOM 800 C THR R 53 20.213 8.287 7.010 1.00 0.00 C ATOM 801 O THR R 53 20.297 9.497 7.042 1.00 0.00 O ATOM 802 CB THR R 53 18.025 7.120 7.116 1.00 0.00 C ATOM 803 OG1 THR R 53 17.259 6.195 6.363 1.00 0.00 O ATOM 804 CG2 THR R 53 17.052 8.260 7.436 1.00 0.00 C ATOM 0 H THR R 53 19.243 5.524 5.686 1.00 0.00 H new ATOM 0 HA THR R 53 18.756 8.314 5.443 1.00 0.00 H new ATOM 0 HB THR R 53 18.466 6.725 8.031 1.00 0.00 H new ATOM 0 HG1 THR R 53 17.528 5.282 6.595 1.00 0.00 H new ATOM 0 HG21 THR R 53 16.273 7.896 8.106 1.00 0.00 H new ATOM 0 HG22 THR R 53 17.592 9.075 7.917 1.00 0.00 H new ATOM 0 HG23 THR R 53 16.598 8.620 6.513 1.00 0.00 H new ATOM 812 N ARG R 54 21.019 7.500 7.672 1.00 0.00 N ATOM 813 CA ARG R 54 22.097 8.093 8.512 1.00 0.00 C ATOM 814 C ARG R 54 23.160 8.764 7.646 1.00 0.00 C ATOM 815 O ARG R 54 23.839 9.672 8.082 1.00 0.00 O ATOM 816 CB ARG R 54 22.755 6.961 9.313 1.00 0.00 C ATOM 817 CG ARG R 54 24.153 7.397 9.761 1.00 0.00 C ATOM 818 CD ARG R 54 24.593 6.524 10.937 1.00 0.00 C ATOM 819 NE ARG R 54 24.137 5.126 10.694 1.00 0.00 N ATOM 820 CZ ARG R 54 24.781 4.136 11.245 1.00 0.00 C ATOM 821 NH1 ARG R 54 25.468 4.357 12.333 1.00 0.00 N ATOM 822 NH2 ARG R 54 24.717 2.956 10.690 1.00 0.00 N ATOM 0 H ARG R 54 20.978 6.481 7.667 1.00 0.00 H new ATOM 0 HA ARG R 54 21.663 8.845 9.171 1.00 0.00 H new ATOM 0 HB2 ARG R 54 22.144 6.713 10.181 1.00 0.00 H new ATOM 0 HB3 ARG R 54 22.822 6.060 8.703 1.00 0.00 H new ATOM 0 HG2 ARG R 54 24.859 7.302 8.936 1.00 0.00 H new ATOM 0 HG3 ARG R 54 24.144 8.447 10.054 1.00 0.00 H new ATOM 0 HD2 ARG R 54 25.677 6.554 11.044 1.00 0.00 H new ATOM 0 HD3 ARG R 54 24.170 6.903 11.867 1.00 0.00 H new ATOM 0 HE ARG R 54 23.327 4.945 10.101 1.00 0.00 H new ATOM 0 HH11 ARG R 54 25.495 5.293 12.738 1.00 0.00 H new ATOM 0 HH12 ARG R 54 25.978 3.594 12.778 1.00 0.00 H new ATOM 0 HH21 ARG R 54 24.170 2.821 9.840 1.00 0.00 H new ATOM 0 HH22 ARG R 54 25.214 2.169 11.107 1.00 0.00 H new ATOM 836 N VAL R 55 23.281 8.304 6.435 1.00 0.00 N ATOM 837 CA VAL R 55 24.293 8.898 5.524 1.00 0.00 C ATOM 838 C VAL R 55 23.828 10.259 4.995 1.00 0.00 C ATOM 839 O VAL R 55 24.629 11.127 4.701 1.00 0.00 O ATOM 840 CB VAL R 55 24.472 7.946 4.338 1.00 0.00 C ATOM 841 CG1 VAL R 55 25.462 8.559 3.350 1.00 0.00 C ATOM 842 CG2 VAL R 55 25.025 6.609 4.842 1.00 0.00 C ATOM 0 H VAL R 55 22.726 7.546 6.038 1.00 0.00 H new ATOM 0 HA VAL R 55 25.226 9.041 6.069 1.00 0.00 H new ATOM 0 HB VAL R 55 23.512 7.784 3.847 1.00 0.00 H new ATOM 0 HG11 VAL R 55 25.594 7.886 2.503 1.00 0.00 H new ATOM 0 HG12 VAL R 55 25.078 9.516 2.997 1.00 0.00 H new ATOM 0 HG13 VAL R 55 26.421 8.713 3.844 1.00 0.00 H new ATOM 0 HG21 VAL R 55 25.154 5.928 4.001 1.00 0.00 H new ATOM 0 HG22 VAL R 55 25.987 6.773 5.327 1.00 0.00 H new ATOM 0 HG23 VAL R 55 24.328 6.173 5.558 1.00 0.00 H new ATOM 852 N ARG R 56 22.537 10.415 4.892 1.00 0.00 N ATOM 853 CA ARG R 56 21.980 11.701 4.387 1.00 0.00 C ATOM 854 C ARG R 56 22.324 12.885 5.297 1.00 0.00 C ATOM 855 O ARG R 56 22.887 13.864 4.849 1.00 0.00 O ATOM 856 CB ARG R 56 20.452 11.560 4.333 1.00 0.00 C ATOM 857 CG ARG R 56 20.016 11.198 2.909 1.00 0.00 C ATOM 858 CD ARG R 56 19.866 12.482 2.091 1.00 0.00 C ATOM 859 NE ARG R 56 19.992 12.153 0.643 1.00 0.00 N ATOM 860 CZ ARG R 56 20.835 12.822 -0.095 1.00 0.00 C ATOM 861 NH1 ARG R 56 22.107 12.535 -0.020 1.00 0.00 N ATOM 862 NH2 ARG R 56 20.380 13.759 -0.882 1.00 0.00 N ATOM 0 H ARG R 56 21.844 9.707 5.136 1.00 0.00 H new ATOM 0 HA ARG R 56 22.413 11.900 3.407 1.00 0.00 H new ATOM 0 HB2 ARG R 56 20.123 10.790 5.031 1.00 0.00 H new ATOM 0 HB3 ARG R 56 19.980 12.493 4.642 1.00 0.00 H new ATOM 0 HG2 ARG R 56 20.752 10.541 2.446 1.00 0.00 H new ATOM 0 HG3 ARG R 56 19.072 10.654 2.931 1.00 0.00 H new ATOM 0 HD2 ARG R 56 18.899 12.944 2.289 1.00 0.00 H new ATOM 0 HD3 ARG R 56 20.629 13.204 2.381 1.00 0.00 H new ATOM 0 HE ARG R 56 19.424 11.412 0.232 1.00 0.00 H new ATOM 0 HH11 ARG R 56 22.427 11.798 0.608 1.00 0.00 H new ATOM 0 HH12 ARG R 56 22.780 13.048 -0.590 1.00 0.00 H new ATOM 0 HH21 ARG R 56 19.380 13.958 -0.913 1.00 0.00 H new ATOM 0 HH22 ARG R 56 21.024 14.292 -1.466 1.00 0.00 H new ATOM 876 N ILE R 57 21.981 12.776 6.552 1.00 0.00 N ATOM 877 CA ILE R 57 22.276 13.882 7.490 1.00 0.00 C ATOM 878 C ILE R 57 23.733 14.357 7.415 1.00 0.00 C ATOM 879 O ILE R 57 23.975 15.529 7.240 1.00 0.00 O ATOM 880 CB ILE R 57 21.918 13.410 8.901 1.00 0.00 C ATOM 881 CG1 ILE R 57 23.054 12.624 9.543 1.00 0.00 C ATOM 882 CG2 ILE R 57 20.693 12.494 8.796 1.00 0.00 C ATOM 883 CD1 ILE R 57 22.538 12.005 10.836 1.00 0.00 C ATOM 0 H ILE R 57 21.511 11.969 6.962 1.00 0.00 H new ATOM 0 HA ILE R 57 21.676 14.749 7.212 1.00 0.00 H new ATOM 0 HB ILE R 57 21.721 14.285 9.520 1.00 0.00 H new ATOM 0 HG12 ILE R 57 23.408 11.847 8.865 1.00 0.00 H new ATOM 0 HG13 ILE R 57 23.901 13.279 9.747 1.00 0.00 H new ATOM 0 HG21 ILE R 57 20.415 12.142 9.790 1.00 0.00 H new ATOM 0 HG22 ILE R 57 19.861 13.048 8.362 1.00 0.00 H new ATOM 0 HG23 ILE R 57 20.931 11.640 8.162 1.00 0.00 H new ATOM 0 HD11 ILE R 57 23.337 11.437 11.312 1.00 0.00 H new ATOM 0 HD12 ILE R 57 22.203 12.794 11.509 1.00 0.00 H new ATOM 0 HD13 ILE R 57 21.703 11.340 10.613 1.00 0.00 H new ATOM 895 N VAL R 58 24.679 13.466 7.548 1.00 0.00 N ATOM 896 CA VAL R 58 26.098 13.928 7.474 1.00 0.00 C ATOM 897 C VAL R 58 26.366 14.701 6.174 1.00 0.00 C ATOM 898 O VAL R 58 26.806 15.836 6.207 1.00 0.00 O ATOM 899 CB VAL R 58 27.050 12.713 7.556 1.00 0.00 C ATOM 900 CG1 VAL R 58 26.557 11.563 6.663 1.00 0.00 C ATOM 901 CG2 VAL R 58 28.449 13.143 7.100 1.00 0.00 C ATOM 0 H VAL R 58 24.540 12.467 7.700 1.00 0.00 H new ATOM 0 HA VAL R 58 26.278 14.597 8.315 1.00 0.00 H new ATOM 0 HB VAL R 58 27.077 12.361 8.587 1.00 0.00 H new ATOM 0 HG11 VAL R 58 27.246 10.722 6.740 1.00 0.00 H new ATOM 0 HG12 VAL R 58 25.564 11.250 6.987 1.00 0.00 H new ATOM 0 HG13 VAL R 58 26.511 11.900 5.628 1.00 0.00 H new ATOM 0 HG21 VAL R 58 29.127 12.291 7.155 1.00 0.00 H new ATOM 0 HG22 VAL R 58 28.402 13.504 6.073 1.00 0.00 H new ATOM 0 HG23 VAL R 58 28.814 13.940 7.748 1.00 0.00 H new ATOM 911 N GLU R 59 26.091 14.081 5.059 1.00 0.00 N ATOM 912 CA GLU R 59 26.325 14.765 3.759 1.00 0.00 C ATOM 913 C GLU R 59 25.707 16.164 3.731 1.00 0.00 C ATOM 914 O GLU R 59 26.357 17.120 3.364 1.00 0.00 O ATOM 915 CB GLU R 59 25.677 13.930 2.649 1.00 0.00 C ATOM 916 CG GLU R 59 25.925 14.609 1.301 1.00 0.00 C ATOM 917 CD GLU R 59 26.085 13.541 0.218 1.00 0.00 C ATOM 918 OE1 GLU R 59 25.099 12.868 -0.028 1.00 0.00 O ATOM 919 OE2 GLU R 59 27.186 13.459 -0.302 1.00 0.00 O ATOM 0 H GLU R 59 25.716 13.135 4.993 1.00 0.00 H new ATOM 0 HA GLU R 59 27.401 14.863 3.615 1.00 0.00 H new ATOM 0 HB2 GLU R 59 26.093 12.923 2.645 1.00 0.00 H new ATOM 0 HB3 GLU R 59 24.606 13.832 2.829 1.00 0.00 H new ATOM 0 HG2 GLU R 59 25.094 15.270 1.056 1.00 0.00 H new ATOM 0 HG3 GLU R 59 26.821 15.228 1.352 1.00 0.00 H new ATOM 926 N GLU R 60 24.463 16.259 4.115 1.00 0.00 N ATOM 927 CA GLU R 60 23.799 17.592 4.111 1.00 0.00 C ATOM 928 C GLU R 60 24.374 18.512 5.187 1.00 0.00 C ATOM 929 O GLU R 60 24.718 19.644 4.912 1.00 0.00 O ATOM 930 CB GLU R 60 22.306 17.392 4.388 1.00 0.00 C ATOM 931 CG GLU R 60 21.505 17.845 3.165 1.00 0.00 C ATOM 932 CD GLU R 60 21.687 19.353 2.972 1.00 0.00 C ATOM 933 OE1 GLU R 60 21.771 20.022 3.988 1.00 0.00 O ATOM 934 OE2 GLU R 60 21.732 19.750 1.819 1.00 0.00 O ATOM 0 H GLU R 60 23.884 15.480 4.428 1.00 0.00 H new ATOM 0 HA GLU R 60 23.966 18.056 3.139 1.00 0.00 H new ATOM 0 HB2 GLU R 60 22.101 16.344 4.605 1.00 0.00 H new ATOM 0 HB3 GLU R 60 22.007 17.964 5.266 1.00 0.00 H new ATOM 0 HG2 GLU R 60 21.841 17.310 2.277 1.00 0.00 H new ATOM 0 HG3 GLU R 60 20.449 17.609 3.299 1.00 0.00 H new ATOM 941 N LEU R 61 24.455 18.010 6.390 1.00 0.00 N ATOM 942 CA LEU R 61 25.002 18.837 7.501 1.00 0.00 C ATOM 943 C LEU R 61 26.197 19.662 7.032 1.00 0.00 C ATOM 944 O LEU R 61 26.376 20.788 7.452 1.00 0.00 O ATOM 945 CB LEU R 61 25.454 17.900 8.630 1.00 0.00 C ATOM 946 CG LEU R 61 24.274 17.647 9.573 1.00 0.00 C ATOM 947 CD1 LEU R 61 24.505 16.336 10.326 1.00 0.00 C ATOM 948 CD2 LEU R 61 24.169 18.795 10.579 1.00 0.00 C ATOM 0 H LEU R 61 24.167 17.067 6.650 1.00 0.00 H new ATOM 0 HA LEU R 61 24.226 19.520 7.848 1.00 0.00 H new ATOM 0 HB2 LEU R 61 25.813 16.958 8.216 1.00 0.00 H new ATOM 0 HB3 LEU R 61 26.285 18.345 9.178 1.00 0.00 H new ATOM 0 HG LEU R 61 23.352 17.584 8.995 1.00 0.00 H new ATOM 0 HD11 LEU R 61 23.668 16.151 10.999 1.00 0.00 H new ATOM 0 HD12 LEU R 61 24.585 15.516 9.613 1.00 0.00 H new ATOM 0 HD13 LEU R 61 25.427 16.406 10.904 1.00 0.00 H new ATOM 0 HD21 LEU R 61 23.329 18.615 11.250 1.00 0.00 H new ATOM 0 HD22 LEU R 61 25.090 18.856 11.159 1.00 0.00 H new ATOM 0 HD23 LEU R 61 24.013 19.733 10.046 1.00 0.00 H new ATOM 1426 N PRO R 93 25.270 19.222 19.078 1.00 0.00 N ATOM 1427 CA PRO R 93 25.923 18.736 17.851 1.00 0.00 C ATOM 1428 C PRO R 93 27.395 19.134 17.788 1.00 0.00 C ATOM 1429 O PRO R 93 28.171 18.522 17.082 1.00 0.00 O ATOM 1430 CB PRO R 93 25.146 19.400 16.702 1.00 0.00 C ATOM 1431 CG PRO R 93 23.990 20.213 17.331 1.00 0.00 C ATOM 1432 CD PRO R 93 24.208 20.225 18.848 1.00 0.00 C ATOM 0 HA PRO R 93 25.906 17.647 17.803 1.00 0.00 H new ATOM 0 HB2 PRO R 93 25.801 20.050 16.122 1.00 0.00 H new ATOM 0 HB3 PRO R 93 24.757 18.647 16.017 1.00 0.00 H new ATOM 0 HG2 PRO R 93 23.977 21.229 16.937 1.00 0.00 H new ATOM 0 HG3 PRO R 93 23.028 19.764 17.085 1.00 0.00 H new ATOM 0 HD2 PRO R 93 24.512 21.212 19.197 1.00 0.00 H new ATOM 0 HD3 PRO R 93 23.294 19.965 19.382 1.00 0.00 H new ATOM 1440 N VAL R 94 27.756 20.151 18.519 1.00 0.00 N ATOM 1441 CA VAL R 94 29.169 20.585 18.504 1.00 0.00 C ATOM 1442 C VAL R 94 30.070 19.466 19.005 1.00 0.00 C ATOM 1443 O VAL R 94 31.280 19.567 18.952 1.00 0.00 O ATOM 1444 CB VAL R 94 29.291 21.802 19.427 1.00 0.00 C ATOM 1445 CG1 VAL R 94 27.962 22.562 19.431 1.00 0.00 C ATOM 1446 CG2 VAL R 94 29.610 21.352 20.858 1.00 0.00 C ATOM 0 H VAL R 94 27.135 20.693 19.120 1.00 0.00 H new ATOM 0 HA VAL R 94 29.475 20.838 17.489 1.00 0.00 H new ATOM 0 HB VAL R 94 30.094 22.444 19.065 1.00 0.00 H new ATOM 0 HG11 VAL R 94 28.041 23.430 20.086 1.00 0.00 H new ATOM 0 HG12 VAL R 94 27.728 22.892 18.419 1.00 0.00 H new ATOM 0 HG13 VAL R 94 27.169 21.907 19.791 1.00 0.00 H new ATOM 0 HG21 VAL R 94 29.694 22.226 21.504 1.00 0.00 H new ATOM 0 HG22 VAL R 94 28.811 20.707 21.223 1.00 0.00 H new ATOM 0 HG23 VAL R 94 30.552 20.803 20.865 1.00 0.00 H new ATOM 1456 N GLU R 95 29.463 18.418 19.485 1.00 0.00 N ATOM 1457 CA GLU R 95 30.274 17.283 19.995 1.00 0.00 C ATOM 1458 C GLU R 95 30.595 16.313 18.861 1.00 0.00 C ATOM 1459 O GLU R 95 31.409 15.424 19.011 1.00 0.00 O ATOM 1460 CB GLU R 95 29.466 16.547 21.072 1.00 0.00 C ATOM 1461 CG GLU R 95 29.662 17.251 22.417 1.00 0.00 C ATOM 1462 CD GLU R 95 31.030 16.877 22.994 1.00 0.00 C ATOM 1463 OE1 GLU R 95 31.279 15.685 23.062 1.00 0.00 O ATOM 1464 OE2 GLU R 95 31.745 17.805 23.333 1.00 0.00 O ATOM 0 H GLU R 95 28.452 18.300 19.546 1.00 0.00 H new ATOM 0 HA GLU R 95 31.207 17.663 20.411 1.00 0.00 H new ATOM 0 HB2 GLU R 95 28.409 16.534 20.805 1.00 0.00 H new ATOM 0 HB3 GLU R 95 29.790 15.509 21.141 1.00 0.00 H new ATOM 0 HG2 GLU R 95 29.593 18.331 22.288 1.00 0.00 H new ATOM 0 HG3 GLU R 95 28.872 16.962 23.110 1.00 0.00 H new ATOM 1471 N LEU R 96 29.943 16.506 17.742 1.00 0.00 N ATOM 1472 CA LEU R 96 30.190 15.610 16.579 1.00 0.00 C ATOM 1473 C LEU R 96 31.215 16.236 15.643 1.00 0.00 C ATOM 1474 O LEU R 96 32.021 15.546 15.040 1.00 0.00 O ATOM 1475 CB LEU R 96 28.850 15.403 15.843 1.00 0.00 C ATOM 1476 CG LEU R 96 29.069 14.835 14.426 1.00 0.00 C ATOM 1477 CD1 LEU R 96 29.822 13.500 14.496 1.00 0.00 C ATOM 1478 CD2 LEU R 96 27.703 14.593 13.780 1.00 0.00 C ATOM 0 H LEU R 96 29.254 17.242 17.587 1.00 0.00 H new ATOM 0 HA LEU R 96 30.584 14.652 16.918 1.00 0.00 H new ATOM 0 HB2 LEU R 96 28.220 14.723 16.416 1.00 0.00 H new ATOM 0 HB3 LEU R 96 28.318 16.352 15.778 1.00 0.00 H new ATOM 0 HG LEU R 96 29.654 15.545 13.842 1.00 0.00 H new ATOM 0 HD11 LEU R 96 29.969 13.112 13.488 1.00 0.00 H new ATOM 0 HD12 LEU R 96 30.791 13.653 14.971 1.00 0.00 H new ATOM 0 HD13 LEU R 96 29.242 12.785 15.079 1.00 0.00 H new ATOM 0 HD21 LEU R 96 27.841 14.191 12.776 1.00 0.00 H new ATOM 0 HD22 LEU R 96 27.137 13.881 14.381 1.00 0.00 H new ATOM 0 HD23 LEU R 96 27.156 15.534 13.722 1.00 0.00 H new ATOM 1490 N ARG R 97 31.166 17.535 15.532 1.00 0.00 N ATOM 1491 CA ARG R 97 32.121 18.216 14.651 1.00 0.00 C ATOM 1492 C ARG R 97 33.509 17.665 14.932 1.00 0.00 C ATOM 1493 O ARG R 97 34.389 17.721 14.106 1.00 0.00 O ATOM 1494 CB ARG R 97 32.079 19.707 14.991 1.00 0.00 C ATOM 1495 CG ARG R 97 30.691 20.268 14.668 1.00 0.00 C ATOM 1496 CD ARG R 97 30.668 21.762 14.999 1.00 0.00 C ATOM 1497 NE ARG R 97 31.522 22.485 14.015 1.00 0.00 N ATOM 1498 CZ ARG R 97 31.410 23.778 13.894 1.00 0.00 C ATOM 1499 NH1 ARG R 97 31.528 24.525 14.957 1.00 0.00 N ATOM 1500 NH2 ARG R 97 31.182 24.283 12.712 1.00 0.00 N ATOM 0 H ARG R 97 30.504 18.142 16.016 1.00 0.00 H new ATOM 0 HA ARG R 97 31.876 18.062 13.600 1.00 0.00 H new ATOM 0 HB2 ARG R 97 32.306 19.856 16.047 1.00 0.00 H new ATOM 0 HB3 ARG R 97 32.840 20.242 14.422 1.00 0.00 H new ATOM 0 HG2 ARG R 97 30.458 20.112 13.615 1.00 0.00 H new ATOM 0 HG3 ARG R 97 29.929 19.743 15.244 1.00 0.00 H new ATOM 0 HD2 ARG R 97 29.647 22.141 14.963 1.00 0.00 H new ATOM 0 HD3 ARG R 97 31.034 21.930 16.012 1.00 0.00 H new ATOM 0 HE ARG R 97 32.190 21.972 13.440 1.00 0.00 H new ATOM 0 HH11 ARG R 97 31.705 24.096 15.865 1.00 0.00 H new ATOM 0 HH12 ARG R 97 31.443 25.539 14.880 1.00 0.00 H new ATOM 0 HH21 ARG R 97 31.095 23.668 11.903 1.00 0.00 H new ATOM 0 HH22 ARG R 97 31.091 25.292 12.598 1.00 0.00 H new ATOM 1514 N GLN R 98 33.654 17.128 16.113 1.00 0.00 N ATOM 1515 CA GLN R 98 34.947 16.548 16.521 1.00 0.00 C ATOM 1516 C GLN R 98 35.488 15.591 15.461 1.00 0.00 C ATOM 1517 O GLN R 98 36.513 15.845 14.856 1.00 0.00 O ATOM 1518 CB GLN R 98 34.689 15.762 17.806 1.00 0.00 C ATOM 1519 CG GLN R 98 34.428 16.740 18.949 1.00 0.00 C ATOM 1520 CD GLN R 98 35.757 17.259 19.500 1.00 0.00 C ATOM 1521 OE1 GLN R 98 36.806 16.694 19.261 1.00 0.00 O ATOM 1522 NE2 GLN R 98 35.757 18.331 20.245 1.00 0.00 N ATOM 0 H GLN R 98 32.917 17.070 16.815 1.00 0.00 H new ATOM 0 HA GLN R 98 35.681 17.342 16.659 1.00 0.00 H new ATOM 0 HB2 GLN R 98 33.833 15.100 17.676 1.00 0.00 H new ATOM 0 HB3 GLN R 98 35.547 15.132 18.040 1.00 0.00 H new ATOM 0 HG2 GLN R 98 33.820 17.573 18.596 1.00 0.00 H new ATOM 0 HG3 GLN R 98 33.863 16.247 19.740 1.00 0.00 H new ATOM 0 HE21 GLN R 98 34.880 18.810 20.449 1.00 0.00 H new ATOM 0 HE22 GLN R 98 36.634 18.690 20.623 1.00 0.00 H new ATOM 1531 N TRP R 99 34.795 14.501 15.252 1.00 0.00 N ATOM 1532 CA TRP R 99 35.290 13.540 14.228 1.00 0.00 C ATOM 1533 C TRP R 99 34.878 13.941 12.822 1.00 0.00 C ATOM 1534 O TRP R 99 35.701 14.046 11.923 1.00 0.00 O ATOM 1535 CB TRP R 99 34.714 12.138 14.443 1.00 0.00 C ATOM 1536 CG TRP R 99 35.369 11.266 13.395 1.00 0.00 C ATOM 1537 CD1 TRP R 99 36.685 10.967 13.372 1.00 0.00 C ATOM 1538 CD2 TRP R 99 34.727 10.636 12.427 1.00 0.00 C ATOM 1539 NE1 TRP R 99 36.773 10.105 12.357 1.00 0.00 N ATOM 1540 CE2 TRP R 99 35.616 9.849 11.729 1.00 0.00 C ATOM 1541 CE3 TRP R 99 33.388 10.644 12.057 1.00 0.00 C ATOM 1542 CZ2 TRP R 99 35.189 9.074 10.697 1.00 0.00 C ATOM 1543 CZ3 TRP R 99 32.970 9.860 11.016 1.00 0.00 C ATOM 1544 CH2 TRP R 99 33.871 9.078 10.342 1.00 0.00 C ATOM 0 H TRP R 99 33.933 14.241 15.731 1.00 0.00 H new ATOM 0 HA TRP R 99 36.375 13.547 14.336 1.00 0.00 H new ATOM 0 HB2 TRP R 99 34.931 11.774 15.447 1.00 0.00 H new ATOM 0 HB3 TRP R 99 33.630 12.138 14.332 1.00 0.00 H new ATOM 0 HD1 TRP R 99 37.471 11.334 14.015 1.00 0.00 H new ATOM 0 HE1 TRP R 99 37.654 9.673 12.080 1.00 0.00 H new ATOM 0 HE3 TRP R 99 32.681 11.265 12.587 1.00 0.00 H new ATOM 0 HZ2 TRP R 99 35.892 8.456 10.158 1.00 0.00 H new ATOM 0 HZ3 TRP R 99 31.930 9.858 10.726 1.00 0.00 H new ATOM 0 HH2 TRP R 99 33.535 8.459 9.523 1.00 0.00 H new ATOM 1555 N LEU R 100 33.600 14.117 12.658 1.00 0.00 N ATOM 1556 CA LEU R 100 33.084 14.507 11.325 1.00 0.00 C ATOM 1557 C LEU R 100 34.016 15.510 10.649 1.00 0.00 C ATOM 1558 O LEU R 100 34.030 15.629 9.441 1.00 0.00 O ATOM 1559 CB LEU R 100 31.705 15.119 11.505 1.00 0.00 C ATOM 1560 CG LEU R 100 30.850 14.736 10.298 1.00 0.00 C ATOM 1561 CD1 LEU R 100 30.251 13.344 10.513 1.00 0.00 C ATOM 1562 CD2 LEU R 100 29.722 15.742 10.145 1.00 0.00 C ATOM 0 H LEU R 100 32.895 14.008 13.387 1.00 0.00 H new ATOM 0 HA LEU R 100 33.027 13.625 10.687 1.00 0.00 H new ATOM 0 HB2 LEU R 100 31.246 14.758 12.425 1.00 0.00 H new ATOM 0 HB3 LEU R 100 31.779 16.203 11.590 1.00 0.00 H new ATOM 0 HG LEU R 100 31.470 14.732 9.402 1.00 0.00 H new ATOM 0 HD11 LEU R 100 29.642 13.073 9.651 1.00 0.00 H new ATOM 0 HD12 LEU R 100 31.054 12.617 10.633 1.00 0.00 H new ATOM 0 HD13 LEU R 100 29.630 13.349 11.409 1.00 0.00 H new ATOM 0 HD21 LEU R 100 29.109 15.473 9.285 1.00 0.00 H new ATOM 0 HD22 LEU R 100 29.107 15.738 11.045 1.00 0.00 H new ATOM 0 HD23 LEU R 100 30.140 16.737 9.996 1.00 0.00 H new ATOM 1574 N GLU R 101 34.786 16.213 11.445 1.00 0.00 N ATOM 1575 CA GLU R 101 35.720 17.202 10.860 1.00 0.00 C ATOM 1576 C GLU R 101 36.810 16.483 10.082 1.00 0.00 C ATOM 1577 O GLU R 101 36.980 16.697 8.903 1.00 0.00 O ATOM 1578 CB GLU R 101 36.404 17.977 11.990 1.00 0.00 C ATOM 1579 CG GLU R 101 35.806 19.383 12.091 1.00 0.00 C ATOM 1580 CD GLU R 101 36.588 20.190 13.130 1.00 0.00 C ATOM 1581 OE1 GLU R 101 37.568 20.794 12.722 1.00 0.00 O ATOM 1582 OE2 GLU R 101 36.165 20.155 14.273 1.00 0.00 O ATOM 0 H GLU R 101 34.802 16.140 12.462 1.00 0.00 H new ATOM 0 HA GLU R 101 35.159 17.870 10.206 1.00 0.00 H new ATOM 0 HB2 GLU R 101 36.276 17.449 12.935 1.00 0.00 H new ATOM 0 HB3 GLU R 101 37.476 18.040 11.803 1.00 0.00 H new ATOM 0 HG2 GLU R 101 35.848 19.879 11.121 1.00 0.00 H new ATOM 0 HG3 GLU R 101 34.755 19.325 12.374 1.00 0.00 H new ATOM 1589 N GLU R 102 37.516 15.611 10.750 1.00 0.00 N ATOM 1590 CA GLU R 102 38.588 14.886 10.054 1.00 0.00 C ATOM 1591 C GLU R 102 38.043 14.275 8.769 1.00 0.00 C ATOM 1592 O GLU R 102 38.782 13.964 7.856 1.00 0.00 O ATOM 1593 CB GLU R 102 39.086 13.788 11.012 1.00 0.00 C ATOM 1594 CG GLU R 102 38.282 12.516 10.824 1.00 0.00 C ATOM 1595 CD GLU R 102 38.862 11.700 9.665 1.00 0.00 C ATOM 1596 OE1 GLU R 102 39.994 11.269 9.822 1.00 0.00 O ATOM 1597 OE2 GLU R 102 38.147 11.557 8.688 1.00 0.00 O ATOM 0 H GLU R 102 37.391 15.379 11.735 1.00 0.00 H new ATOM 0 HA GLU R 102 39.407 15.552 9.783 1.00 0.00 H new ATOM 0 HB2 GLU R 102 40.142 13.589 10.829 1.00 0.00 H new ATOM 0 HB3 GLU R 102 39.001 14.130 12.043 1.00 0.00 H new ATOM 0 HG2 GLU R 102 38.299 11.926 11.740 1.00 0.00 H new ATOM 0 HG3 GLU R 102 37.239 12.761 10.622 1.00 0.00 H new ATOM 1604 N VAL R 103 36.745 14.122 8.726 1.00 0.00 N ATOM 1605 CA VAL R 103 36.120 13.530 7.509 1.00 0.00 C ATOM 1606 C VAL R 103 35.859 14.562 6.403 1.00 0.00 C ATOM 1607 O VAL R 103 36.452 14.488 5.345 1.00 0.00 O ATOM 1608 CB VAL R 103 34.776 12.913 7.905 1.00 0.00 C ATOM 1609 CG1 VAL R 103 34.292 12.001 6.777 1.00 0.00 C ATOM 1610 CG2 VAL R 103 34.950 12.082 9.172 1.00 0.00 C ATOM 0 H VAL R 103 36.098 14.378 9.472 1.00 0.00 H new ATOM 0 HA VAL R 103 36.818 12.791 7.116 1.00 0.00 H new ATOM 0 HB VAL R 103 34.050 13.706 8.083 1.00 0.00 H new ATOM 0 HG11 VAL R 103 33.335 11.558 7.053 1.00 0.00 H new ATOM 0 HG12 VAL R 103 34.173 12.584 5.864 1.00 0.00 H new ATOM 0 HG13 VAL R 103 35.023 11.210 6.610 1.00 0.00 H new ATOM 0 HG21 VAL R 103 33.993 11.643 9.453 1.00 0.00 H new ATOM 0 HG22 VAL R 103 35.674 11.288 8.990 1.00 0.00 H new ATOM 0 HG23 VAL R 103 35.308 12.721 9.980 1.00 0.00 H new ATOM 1620 N LEU R 104 34.982 15.501 6.661 1.00 0.00 N ATOM 1621 CA LEU R 104 34.684 16.525 5.616 1.00 0.00 C ATOM 1622 C LEU R 104 35.535 17.796 5.738 1.00 0.00 C ATOM 1623 O LEU R 104 35.610 18.565 4.801 1.00 0.00 O ATOM 1624 CB LEU R 104 33.201 16.905 5.734 1.00 0.00 C ATOM 1625 CG LEU R 104 32.344 15.686 5.373 1.00 0.00 C ATOM 1626 CD1 LEU R 104 31.000 15.765 6.102 1.00 0.00 C ATOM 1627 CD2 LEU R 104 32.091 15.667 3.862 1.00 0.00 C ATOM 0 H LEU R 104 34.468 15.601 7.536 1.00 0.00 H new ATOM 0 HA LEU R 104 34.923 16.084 4.648 1.00 0.00 H new ATOM 0 HB2 LEU R 104 32.977 17.236 6.748 1.00 0.00 H new ATOM 0 HB3 LEU R 104 32.971 17.737 5.069 1.00 0.00 H new ATOM 0 HG LEU R 104 32.870 14.779 5.671 1.00 0.00 H new ATOM 0 HD11 LEU R 104 30.394 14.897 5.843 1.00 0.00 H new ATOM 0 HD12 LEU R 104 31.170 15.780 7.179 1.00 0.00 H new ATOM 0 HD13 LEU R 104 30.478 16.674 5.804 1.00 0.00 H new ATOM 0 HD21 LEU R 104 31.482 14.800 3.606 1.00 0.00 H new ATOM 0 HD22 LEU R 104 31.568 16.577 3.569 1.00 0.00 H new ATOM 0 HD23 LEU R 104 33.043 15.610 3.334 1.00 0.00 H new ATOM 1639 N LEU R 105 36.147 18.013 6.873 1.00 0.00 N ATOM 1640 CA LEU R 105 36.984 19.245 7.014 1.00 0.00 C ATOM 1641 C LEU R 105 37.848 19.428 5.772 1.00 0.00 C ATOM 1642 O LEU R 105 37.884 20.491 5.184 1.00 0.00 O ATOM 1643 CB LEU R 105 37.909 19.097 8.237 1.00 0.00 C ATOM 1644 CG LEU R 105 38.832 20.322 8.355 1.00 0.00 C ATOM 1645 CD1 LEU R 105 37.996 21.604 8.404 1.00 0.00 C ATOM 1646 CD2 LEU R 105 39.645 20.206 9.647 1.00 0.00 C ATOM 0 H LEU R 105 36.107 17.407 7.692 1.00 0.00 H new ATOM 0 HA LEU R 105 36.329 20.107 7.138 1.00 0.00 H new ATOM 0 HB2 LEU R 105 37.312 18.993 9.143 1.00 0.00 H new ATOM 0 HB3 LEU R 105 38.506 18.190 8.143 1.00 0.00 H new ATOM 0 HG LEU R 105 39.496 20.360 7.492 1.00 0.00 H new ATOM 0 HD11 LEU R 105 38.657 22.467 8.488 1.00 0.00 H new ATOM 0 HD12 LEU R 105 37.404 21.687 7.493 1.00 0.00 H new ATOM 0 HD13 LEU R 105 37.331 21.572 9.267 1.00 0.00 H new ATOM 0 HD21 LEU R 105 40.303 21.070 9.741 1.00 0.00 H new ATOM 0 HD22 LEU R 105 38.968 20.171 10.501 1.00 0.00 H new ATOM 0 HD23 LEU R 105 40.243 19.295 9.620 1.00 0.00 H new ATOM 1871 N HIS S 16 23.019 0.827 -3.981 1.00 0.00 N ATOM 1872 CA HIS S 16 24.289 0.059 -4.112 1.00 0.00 C ATOM 1873 C HIS S 16 25.483 1.002 -4.254 1.00 0.00 C ATOM 1874 O HIS S 16 26.611 0.563 -4.345 1.00 0.00 O ATOM 1875 CB HIS S 16 24.204 -0.810 -5.374 1.00 0.00 C ATOM 1876 CG HIS S 16 25.417 -1.745 -5.429 1.00 0.00 C ATOM 1877 ND1 HIS S 16 25.995 -2.246 -4.418 1.00 0.00 N ATOM 1878 CD2 HIS S 16 26.129 -2.218 -6.518 1.00 0.00 C ATOM 1879 CE1 HIS S 16 26.983 -2.974 -4.777 1.00 0.00 C ATOM 1880 NE2 HIS S 16 27.133 -3.004 -6.093 1.00 0.00 N ATOM 0 HA HIS S 16 24.425 -0.552 -3.220 1.00 0.00 H new ATOM 0 HB2 HIS S 16 23.282 -1.392 -5.367 1.00 0.00 H new ATOM 0 HB3 HIS S 16 24.176 -0.179 -6.262 1.00 0.00 H new ATOM 0 HD2 HIS S 16 25.911 -1.990 -7.551 1.00 0.00 H new ATOM 0 HE1 HIS S 16 27.622 -3.504 -4.086 1.00 0.00 H new ATOM 0 HE2 HIS S 16 27.834 -3.499 -6.645 1.00 0.00 H new ATOM 1888 N GLN S 17 25.212 2.280 -4.271 1.00 0.00 N ATOM 1889 CA GLN S 17 26.321 3.261 -4.409 1.00 0.00 C ATOM 1890 C GLN S 17 26.783 3.766 -3.043 1.00 0.00 C ATOM 1891 O GLN S 17 27.960 3.760 -2.741 1.00 0.00 O ATOM 1892 CB GLN S 17 25.817 4.461 -5.222 1.00 0.00 C ATOM 1893 CG GLN S 17 24.575 4.051 -6.016 1.00 0.00 C ATOM 1894 CD GLN S 17 24.194 5.175 -6.983 1.00 0.00 C ATOM 1895 OE1 GLN S 17 24.907 6.146 -7.134 1.00 0.00 O ATOM 1896 NE2 GLN S 17 23.075 5.085 -7.650 1.00 0.00 N ATOM 0 H GLN S 17 24.278 2.682 -4.196 1.00 0.00 H new ATOM 0 HA GLN S 17 27.158 2.770 -4.905 1.00 0.00 H new ATOM 0 HB2 GLN S 17 25.579 5.291 -4.557 1.00 0.00 H new ATOM 0 HB3 GLN S 17 26.597 4.809 -5.899 1.00 0.00 H new ATOM 0 HG2 GLN S 17 24.770 3.132 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN S 17 23.748 3.845 -5.337 1.00 0.00 H new ATOM 0 HE21 GLN S 17 22.472 4.272 -7.527 1.00 0.00 H new ATOM 0 HE22 GLN S 17 22.804 5.828 -8.294 1.00 0.00 H new ATOM 1905 N GLU S 18 25.846 4.190 -2.242 1.00 0.00 N ATOM 1906 CA GLU S 18 26.216 4.697 -0.896 1.00 0.00 C ATOM 1907 C GLU S 18 26.623 3.552 0.029 1.00 0.00 C ATOM 1908 O GLU S 18 27.505 3.696 0.853 1.00 0.00 O ATOM 1909 CB GLU S 18 25.003 5.424 -0.293 1.00 0.00 C ATOM 1910 CG GLU S 18 23.727 4.625 -0.576 1.00 0.00 C ATOM 1911 CD GLU S 18 22.961 5.269 -1.737 1.00 0.00 C ATOM 1912 OE1 GLU S 18 23.473 5.183 -2.841 1.00 0.00 O ATOM 1913 OE2 GLU S 18 21.905 5.811 -1.453 1.00 0.00 O ATOM 0 H GLU S 18 24.850 4.207 -2.460 1.00 0.00 H new ATOM 0 HA GLU S 18 27.063 5.376 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU S 18 25.137 5.544 0.782 1.00 0.00 H new ATOM 0 HB3 GLU S 18 24.919 6.424 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU S 18 23.979 3.594 -0.822 1.00 0.00 H new ATOM 0 HG3 GLU S 18 23.099 4.596 0.315 1.00 0.00 H new ATOM 1920 N TRP S 19 25.973 2.434 -0.129 1.00 0.00 N ATOM 1921 CA TRP S 19 26.300 1.261 0.726 1.00 0.00 C ATOM 1922 C TRP S 19 27.805 0.991 0.759 1.00 0.00 C ATOM 1923 O TRP S 19 28.281 0.263 1.607 1.00 0.00 O ATOM 1924 CB TRP S 19 25.597 0.041 0.130 1.00 0.00 C ATOM 1925 CG TRP S 19 25.895 -1.179 0.993 1.00 0.00 C ATOM 1926 CD1 TRP S 19 26.877 -2.064 0.752 1.00 0.00 C ATOM 1927 CD2 TRP S 19 25.198 -1.547 2.068 1.00 0.00 C ATOM 1928 NE1 TRP S 19 26.732 -2.965 1.721 1.00 0.00 N ATOM 1929 CE2 TRP S 19 25.713 -2.723 2.580 1.00 0.00 C ATOM 1930 CE3 TRP S 19 24.103 -0.956 2.677 1.00 0.00 C ATOM 1931 CZ2 TRP S 19 25.141 -3.308 3.686 1.00 0.00 C ATOM 1932 CZ3 TRP S 19 23.529 -1.547 3.784 1.00 0.00 C ATOM 1933 CH2 TRP S 19 24.050 -2.723 4.289 1.00 0.00 C ATOM 0 H TRP S 19 25.231 2.282 -0.812 1.00 0.00 H new ATOM 0 HA TRP S 19 25.971 1.462 1.745 1.00 0.00 H new ATOM 0 HB2 TRP S 19 24.522 0.213 0.081 1.00 0.00 H new ATOM 0 HB3 TRP S 19 25.939 -0.128 -0.891 1.00 0.00 H new ATOM 0 HD1 TRP S 19 27.610 -2.048 -0.041 1.00 0.00 H new ATOM 0 HE1 TRP S 19 27.343 -3.777 1.810 1.00 0.00 H new ATOM 0 HE3 TRP S 19 23.699 -0.034 2.286 1.00 0.00 H new ATOM 0 HZ2 TRP S 19 25.548 -4.227 4.082 1.00 0.00 H new ATOM 0 HZ3 TRP S 19 22.672 -1.090 4.256 1.00 0.00 H new ATOM 0 HH2 TRP S 19 23.601 -3.183 5.157 1.00 0.00 H new ATOM 1944 N LEU S 20 28.520 1.570 -0.174 1.00 0.00 N ATOM 1945 CA LEU S 20 29.998 1.359 -0.214 1.00 0.00 C ATOM 1946 C LEU S 20 30.772 2.638 0.121 1.00 0.00 C ATOM 1947 O LEU S 20 31.503 2.695 1.088 1.00 0.00 O ATOM 1948 CB LEU S 20 30.384 0.933 -1.637 1.00 0.00 C ATOM 1949 CG LEU S 20 29.712 -0.400 -1.973 1.00 0.00 C ATOM 1950 CD1 LEU S 20 29.536 -0.500 -3.488 1.00 0.00 C ATOM 1951 CD2 LEU S 20 30.600 -1.553 -1.495 1.00 0.00 C ATOM 0 H LEU S 20 28.146 2.176 -0.905 1.00 0.00 H new ATOM 0 HA LEU S 20 30.251 0.600 0.527 1.00 0.00 H new ATOM 0 HB2 LEU S 20 30.078 1.697 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU S 20 31.467 0.837 -1.718 1.00 0.00 H new ATOM 0 HG LEU S 20 28.742 -0.457 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU S 20 29.058 -1.447 -3.737 1.00 0.00 H new ATOM 0 HD12 LEU S 20 28.913 0.324 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU S 20 30.511 -0.448 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU S 20 30.122 -2.503 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU S 20 31.568 -1.498 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU S 20 30.743 -1.479 -0.417 1.00 0.00 H new ATOM 1963 N ARG S 21 30.581 3.637 -0.694 1.00 0.00 N ATOM 1964 CA ARG S 21 31.282 4.939 -0.485 1.00 0.00 C ATOM 1965 C ARG S 21 31.220 5.468 0.953 1.00 0.00 C ATOM 1966 O ARG S 21 32.235 5.844 1.506 1.00 0.00 O ATOM 1967 CB ARG S 21 30.631 5.979 -1.403 1.00 0.00 C ATOM 1968 CG ARG S 21 31.677 6.502 -2.393 1.00 0.00 C ATOM 1969 CD ARG S 21 32.788 7.222 -1.626 1.00 0.00 C ATOM 1970 NE ARG S 21 32.954 8.590 -2.193 1.00 0.00 N ATOM 1971 CZ ARG S 21 32.146 9.541 -1.814 1.00 0.00 C ATOM 1972 NH1 ARG S 21 32.301 10.061 -0.629 1.00 0.00 N ATOM 1973 NH2 ARG S 21 31.208 9.936 -2.630 1.00 0.00 N ATOM 0 H ARG S 21 29.963 3.609 -1.505 1.00 0.00 H new ATOM 0 HA ARG S 21 32.335 4.768 -0.709 1.00 0.00 H new ATOM 0 HB2 ARG S 21 29.794 5.534 -1.941 1.00 0.00 H new ATOM 0 HB3 ARG S 21 30.228 6.802 -0.812 1.00 0.00 H new ATOM 0 HG2 ARG S 21 32.094 5.676 -2.969 1.00 0.00 H new ATOM 0 HG3 ARG S 21 31.211 7.183 -3.105 1.00 0.00 H new ATOM 0 HD2 ARG S 21 32.539 7.280 -0.567 1.00 0.00 H new ATOM 0 HD3 ARG S 21 33.722 6.665 -1.703 1.00 0.00 H new ATOM 0 HE ARG S 21 33.692 8.781 -2.871 1.00 0.00 H new ATOM 0 HH11 ARG S 21 33.044 9.723 -0.017 1.00 0.00 H new ATOM 0 HH12 ARG S 21 31.680 10.806 -0.314 1.00 0.00 H new ATOM 0 HH21 ARG S 21 31.115 9.502 -3.548 1.00 0.00 H new ATOM 0 HH22 ARG S 21 30.567 10.679 -2.350 1.00 0.00 H new ATOM 1987 N PHE S 22 30.055 5.498 1.541 1.00 0.00 N ATOM 1988 CA PHE S 22 29.975 6.017 2.939 1.00 0.00 C ATOM 1989 C PHE S 22 30.214 4.935 3.985 1.00 0.00 C ATOM 1990 O PHE S 22 30.880 5.170 4.974 1.00 0.00 O ATOM 1991 CB PHE S 22 28.585 6.616 3.154 1.00 0.00 C ATOM 1992 CG PHE S 22 28.458 7.877 2.300 1.00 0.00 C ATOM 1993 CD1 PHE S 22 28.164 7.780 0.956 1.00 0.00 C ATOM 1994 CD2 PHE S 22 28.642 9.128 2.860 1.00 0.00 C ATOM 1995 CE1 PHE S 22 28.052 8.913 0.178 1.00 0.00 C ATOM 1996 CE2 PHE S 22 28.530 10.263 2.082 1.00 0.00 C ATOM 1997 CZ PHE S 22 28.237 10.155 0.742 1.00 0.00 C ATOM 0 H PHE S 22 29.174 5.194 1.127 1.00 0.00 H new ATOM 0 HA PHE S 22 30.759 6.764 3.061 1.00 0.00 H new ATOM 0 HB2 PHE S 22 27.816 5.894 2.879 1.00 0.00 H new ATOM 0 HB3 PHE S 22 28.435 6.856 4.207 1.00 0.00 H new ATOM 0 HD1 PHE S 22 28.020 6.808 0.509 1.00 0.00 H new ATOM 0 HD2 PHE S 22 28.874 9.218 3.911 1.00 0.00 H new ATOM 0 HE1 PHE S 22 27.819 8.826 -0.873 1.00 0.00 H new ATOM 0 HE2 PHE S 22 28.673 11.237 2.526 1.00 0.00 H new ATOM 0 HZ PHE S 22 28.152 11.043 0.134 1.00 0.00 H new ATOM 2007 N VAL S 23 29.663 3.778 3.772 1.00 0.00 N ATOM 2008 CA VAL S 23 29.877 2.704 4.770 1.00 0.00 C ATOM 2009 C VAL S 23 31.368 2.538 5.048 1.00 0.00 C ATOM 2010 O VAL S 23 31.757 2.071 6.098 1.00 0.00 O ATOM 2011 CB VAL S 23 29.291 1.400 4.223 1.00 0.00 C ATOM 2012 CG1 VAL S 23 29.402 0.306 5.290 1.00 0.00 C ATOM 2013 CG2 VAL S 23 27.812 1.626 3.900 1.00 0.00 C ATOM 0 H VAL S 23 29.086 3.533 2.968 1.00 0.00 H new ATOM 0 HA VAL S 23 29.381 2.964 5.705 1.00 0.00 H new ATOM 0 HB VAL S 23 29.834 1.097 3.328 1.00 0.00 H new ATOM 0 HG11 VAL S 23 28.985 -0.624 4.903 1.00 0.00 H new ATOM 0 HG12 VAL S 23 30.450 0.154 5.548 1.00 0.00 H new ATOM 0 HG13 VAL S 23 28.850 0.608 6.180 1.00 0.00 H new ATOM 0 HG21 VAL S 23 27.380 0.705 3.509 1.00 0.00 H new ATOM 0 HG22 VAL S 23 27.282 1.919 4.806 1.00 0.00 H new ATOM 0 HG23 VAL S 23 27.719 2.416 3.154 1.00 0.00 H new ATOM 2023 N ASP S 24 32.181 2.917 4.098 1.00 0.00 N ATOM 2024 CA ASP S 24 33.644 2.784 4.312 1.00 0.00 C ATOM 2025 C ASP S 24 34.066 3.763 5.400 1.00 0.00 C ATOM 2026 O ASP S 24 34.990 3.517 6.151 1.00 0.00 O ATOM 2027 CB ASP S 24 34.369 3.136 3.005 1.00 0.00 C ATOM 2028 CG ASP S 24 34.509 1.871 2.155 1.00 0.00 C ATOM 2029 OD1 ASP S 24 33.574 1.606 1.419 1.00 0.00 O ATOM 2030 OD2 ASP S 24 35.545 1.240 2.290 1.00 0.00 O ATOM 0 H ASP S 24 31.898 3.306 3.199 1.00 0.00 H new ATOM 0 HA ASP S 24 33.894 1.766 4.610 1.00 0.00 H new ATOM 0 HB2 ASP S 24 33.811 3.897 2.459 1.00 0.00 H new ATOM 0 HB3 ASP S 24 35.352 3.555 3.221 1.00 0.00 H new ATOM 2035 N LEU S 25 33.364 4.863 5.451 1.00 0.00 N ATOM 2036 CA LEU S 25 33.670 5.895 6.470 1.00 0.00 C ATOM 2037 C LEU S 25 33.191 5.416 7.838 1.00 0.00 C ATOM 2038 O LEU S 25 33.732 5.788 8.857 1.00 0.00 O ATOM 2039 CB LEU S 25 32.929 7.185 6.088 1.00 0.00 C ATOM 2040 CG LEU S 25 33.252 7.545 4.630 1.00 0.00 C ATOM 2041 CD1 LEU S 25 32.440 8.779 4.227 1.00 0.00 C ATOM 2042 CD2 LEU S 25 34.744 7.862 4.494 1.00 0.00 C ATOM 0 H LEU S 25 32.590 5.088 4.826 1.00 0.00 H new ATOM 0 HA LEU S 25 34.744 6.077 6.513 1.00 0.00 H new ATOM 0 HB2 LEU S 25 31.854 7.051 6.212 1.00 0.00 H new ATOM 0 HB3 LEU S 25 33.227 7.998 6.750 1.00 0.00 H new ATOM 0 HG LEU S 25 32.999 6.704 3.985 1.00 0.00 H new ATOM 0 HD11 LEU S 25 32.664 9.040 3.193 1.00 0.00 H new ATOM 0 HD12 LEU S 25 31.376 8.562 4.324 1.00 0.00 H new ATOM 0 HD13 LEU S 25 32.701 9.614 4.877 1.00 0.00 H new ATOM 0 HD21 LEU S 25 34.969 8.117 3.458 1.00 0.00 H new ATOM 0 HD22 LEU S 25 34.997 8.704 5.138 1.00 0.00 H new ATOM 0 HD23 LEU S 25 35.329 6.991 4.789 1.00 0.00 H new ATOM 2054 N LEU S 26 32.164 4.611 7.846 1.00 0.00 N ATOM 2055 CA LEU S 26 31.667 4.113 9.155 1.00 0.00 C ATOM 2056 C LEU S 26 32.787 3.308 9.810 1.00 0.00 C ATOM 2057 O LEU S 26 33.012 3.378 11.011 1.00 0.00 O ATOM 2058 CB LEU S 26 30.448 3.202 8.900 1.00 0.00 C ATOM 2059 CG LEU S 26 30.038 2.494 10.198 1.00 0.00 C ATOM 2060 CD1 LEU S 26 29.846 3.531 11.307 1.00 0.00 C ATOM 2061 CD2 LEU S 26 28.717 1.752 9.970 1.00 0.00 C ATOM 0 H LEU S 26 31.659 4.284 7.023 1.00 0.00 H new ATOM 0 HA LEU S 26 31.374 4.937 9.805 1.00 0.00 H new ATOM 0 HB2 LEU S 26 29.615 3.794 8.521 1.00 0.00 H new ATOM 0 HB3 LEU S 26 30.689 2.464 8.135 1.00 0.00 H new ATOM 0 HG LEU S 26 30.815 1.788 10.489 1.00 0.00 H new ATOM 0 HD11 LEU S 26 29.555 3.028 12.229 1.00 0.00 H new ATOM 0 HD12 LEU S 26 30.780 4.070 11.467 1.00 0.00 H new ATOM 0 HD13 LEU S 26 29.066 4.235 11.016 1.00 0.00 H new ATOM 0 HD21 LEU S 26 28.420 1.247 10.889 1.00 0.00 H new ATOM 0 HD22 LEU S 26 27.944 2.465 9.682 1.00 0.00 H new ATOM 0 HD23 LEU S 26 28.845 1.016 9.176 1.00 0.00 H new ATOM 2073 N LYS S 27 33.481 2.563 8.981 1.00 0.00 N ATOM 2074 CA LYS S 27 34.598 1.735 9.480 1.00 0.00 C ATOM 2075 C LYS S 27 35.721 2.649 9.973 1.00 0.00 C ATOM 2076 O LYS S 27 36.521 2.262 10.802 1.00 0.00 O ATOM 2077 CB LYS S 27 35.045 0.820 8.312 1.00 0.00 C ATOM 2078 CG LYS S 27 36.513 1.034 7.925 1.00 0.00 C ATOM 2079 CD LYS S 27 36.777 0.254 6.633 1.00 0.00 C ATOM 2080 CE LYS S 27 38.246 0.403 6.229 1.00 0.00 C ATOM 2081 NZ LYS S 27 39.124 -0.387 7.136 1.00 0.00 N ATOM 0 H LYS S 27 33.312 2.500 7.977 1.00 0.00 H new ATOM 0 HA LYS S 27 34.305 1.112 10.325 1.00 0.00 H new ATOM 0 HB2 LYS S 27 34.896 -0.222 8.594 1.00 0.00 H new ATOM 0 HB3 LYS S 27 34.413 1.009 7.444 1.00 0.00 H new ATOM 0 HG2 LYS S 27 36.719 2.094 7.779 1.00 0.00 H new ATOM 0 HG3 LYS S 27 37.172 0.688 8.721 1.00 0.00 H new ATOM 0 HD2 LYS S 27 36.535 -0.799 6.777 1.00 0.00 H new ATOM 0 HD3 LYS S 27 36.132 0.623 5.836 1.00 0.00 H new ATOM 0 HE2 LYS S 27 38.381 0.068 5.201 1.00 0.00 H new ATOM 0 HE3 LYS S 27 38.533 1.454 6.262 1.00 0.00 H new ATOM 0 HZ1 LYS S 27 40.085 -0.426 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS S 27 39.152 0.065 8.072 1.00 0.00 H new ATOM 0 HZ3 LYS S 27 38.748 -1.352 7.229 1.00 0.00 H new ATOM 2095 N ASN S 28 35.763 3.852 9.443 1.00 0.00 N ATOM 2096 CA ASN S 28 36.822 4.799 9.880 1.00 0.00 C ATOM 2097 C ASN S 28 36.432 5.294 11.252 1.00 0.00 C ATOM 2098 O ASN S 28 37.241 5.392 12.154 1.00 0.00 O ATOM 2099 CB ASN S 28 36.871 6.026 8.947 1.00 0.00 C ATOM 2100 CG ASN S 28 37.355 5.608 7.555 1.00 0.00 C ATOM 2101 OD1 ASN S 28 38.062 4.519 7.429 1.00 0.00 O flip ATOM 2102 ND2 ASN S 28 37.096 6.272 6.570 1.00 0.00 N flip ATOM 0 H ASN S 28 35.117 4.208 8.738 1.00 0.00 H new ATOM 0 HA ASN S 28 37.790 4.298 9.870 1.00 0.00 H new ATOM 0 HB2 ASN S 28 35.882 6.479 8.876 1.00 0.00 H new ATOM 0 HB3 ASN S 28 37.539 6.782 9.361 1.00 0.00 H new ATOM 0 HD21 ASN S 28 36.544 7.125 6.661 1.00 0.00 H new ATOM 0 HD22 ASN S 28 37.431 5.976 5.653 1.00 0.00 H new ATOM 2109 N ALA S 29 35.170 5.593 11.370 1.00 0.00 N ATOM 2110 CA ALA S 29 34.662 6.084 12.657 1.00 0.00 C ATOM 2111 C ALA S 29 35.104 5.197 13.782 1.00 0.00 C ATOM 2112 O ALA S 29 36.065 5.526 14.412 1.00 0.00 O ATOM 2113 CB ALA S 29 33.114 6.133 12.624 1.00 0.00 C ATOM 0 H ALA S 29 34.477 5.515 10.626 1.00 0.00 H new ATOM 0 HA ALA S 29 35.063 7.084 12.822 1.00 0.00 H new ATOM 0 HB1 ALA S 29 32.741 6.498 13.581 1.00 0.00 H new ATOM 0 HB2 ALA S 29 32.788 6.803 11.828 1.00 0.00 H new ATOM 0 HB3 ALA S 29 32.722 5.133 12.439 1.00 0.00 H new ATOM 2119 N TYR S 30 34.509 4.039 13.926 1.00 0.00 N ATOM 2120 CA TYR S 30 34.915 3.144 15.047 1.00 0.00 C ATOM 2121 C TYR S 30 36.210 3.631 15.714 1.00 0.00 C ATOM 2122 O TYR S 30 36.182 4.307 16.748 1.00 0.00 O ATOM 2123 CB TYR S 30 35.088 1.737 14.504 1.00 0.00 C ATOM 2124 CG TYR S 30 33.699 1.095 14.568 1.00 0.00 C ATOM 2125 CD1 TYR S 30 33.174 0.690 15.781 1.00 0.00 C ATOM 2126 CD2 TYR S 30 32.956 0.912 13.425 1.00 0.00 C ATOM 2127 CE1 TYR S 30 31.928 0.100 15.842 1.00 0.00 C ATOM 2128 CE2 TYR S 30 31.708 0.324 13.484 1.00 0.00 C ATOM 2129 CZ TYR S 30 31.185 -0.089 14.693 1.00 0.00 C ATOM 2130 OH TYR S 30 29.946 -0.697 14.749 1.00 0.00 O ATOM 0 H TYR S 30 33.769 3.680 13.323 1.00 0.00 H new ATOM 0 HA TYR S 30 34.139 3.155 15.812 1.00 0.00 H new ATOM 0 HB2 TYR S 30 35.464 1.755 13.481 1.00 0.00 H new ATOM 0 HB3 TYR S 30 35.808 1.174 15.098 1.00 0.00 H new ATOM 0 HD1 TYR S 30 33.743 0.836 16.687 1.00 0.00 H new ATOM 0 HD2 TYR S 30 33.352 1.231 12.472 1.00 0.00 H new ATOM 0 HE1 TYR S 30 31.531 -0.216 16.795 1.00 0.00 H new ATOM 0 HE2 TYR S 30 31.137 0.186 12.578 1.00 0.00 H new ATOM 0 HH TYR S 30 29.301 -0.174 14.229 1.00 0.00 H new ATOM 2140 N GLN S 31 37.287 3.428 15.033 1.00 0.00 N ATOM 2141 CA GLN S 31 38.608 3.857 15.587 1.00 0.00 C ATOM 2142 C GLN S 31 38.778 5.385 15.695 1.00 0.00 C ATOM 2143 O GLN S 31 39.359 5.864 16.647 1.00 0.00 O ATOM 2144 CB GLN S 31 39.703 3.331 14.653 1.00 0.00 C ATOM 2145 CG GLN S 31 40.388 2.117 15.290 1.00 0.00 C ATOM 2146 CD GLN S 31 41.359 2.596 16.369 1.00 0.00 C ATOM 2147 OE1 GLN S 31 41.913 3.672 16.287 1.00 0.00 O ATOM 2148 NE2 GLN S 31 41.595 1.825 17.396 1.00 0.00 N ATOM 0 H GLN S 31 37.322 2.984 14.115 1.00 0.00 H new ATOM 0 HA GLN S 31 38.673 3.456 16.598 1.00 0.00 H new ATOM 0 HB2 GLN S 31 39.271 3.054 13.691 1.00 0.00 H new ATOM 0 HB3 GLN S 31 40.436 4.114 14.460 1.00 0.00 H new ATOM 0 HG2 GLN S 31 39.643 1.451 15.724 1.00 0.00 H new ATOM 0 HG3 GLN S 31 40.922 1.546 14.531 1.00 0.00 H new ATOM 0 HE21 GLN S 31 41.132 0.919 17.471 1.00 0.00 H new ATOM 0 HE22 GLN S 31 42.242 2.129 18.124 1.00 0.00 H new ATOM 2157 N ASN S 32 38.280 6.122 14.733 1.00 0.00 N ATOM 2158 CA ASN S 32 38.429 7.614 14.793 1.00 0.00 C ATOM 2159 C ASN S 32 37.183 8.390 15.247 1.00 0.00 C ATOM 2160 O ASN S 32 37.310 9.554 15.574 1.00 0.00 O ATOM 2161 CB ASN S 32 38.779 8.102 13.383 1.00 0.00 C ATOM 2162 CG ASN S 32 40.126 7.515 12.969 1.00 0.00 C ATOM 2163 OD1 ASN S 32 40.214 6.235 12.758 1.00 0.00 O flip ATOM 2164 ND2 ASN S 32 41.109 8.218 12.832 1.00 0.00 N flip ATOM 0 H ASN S 32 37.783 5.764 13.918 1.00 0.00 H new ATOM 0 HA ASN S 32 39.197 7.806 15.542 1.00 0.00 H new ATOM 0 HB2 ASN S 32 38.005 7.800 12.678 1.00 0.00 H new ATOM 0 HB3 ASN S 32 38.821 9.191 13.362 1.00 0.00 H new ATOM 0 HD21 ASN S 32 41.044 9.223 12.996 1.00 0.00 H new ATOM 0 HD22 ASN S 32 41.998 7.803 12.553 1.00 0.00 H new ATOM 2171 N ASP S 33 36.019 7.775 15.272 1.00 0.00 N ATOM 2172 CA ASP S 33 34.816 8.541 15.710 1.00 0.00 C ATOM 2173 C ASP S 33 34.219 8.124 17.015 1.00 0.00 C ATOM 2174 O ASP S 33 33.181 8.654 17.344 1.00 0.00 O ATOM 2175 CB ASP S 33 33.696 8.487 14.687 1.00 0.00 C ATOM 2176 CG ASP S 33 32.686 9.608 14.962 1.00 0.00 C ATOM 2177 OD1 ASP S 33 32.992 10.429 15.814 1.00 0.00 O ATOM 2178 OD2 ASP S 33 31.664 9.582 14.301 1.00 0.00 O ATOM 0 H ASP S 33 35.857 6.801 15.014 1.00 0.00 H new ATOM 0 HA ASP S 33 35.218 9.548 15.825 1.00 0.00 H new ATOM 0 HB2 ASP S 33 34.104 8.591 13.682 1.00 0.00 H new ATOM 0 HB3 ASP S 33 33.198 7.518 14.730 1.00 0.00 H new ATOM 2183 N LEU S 34 34.936 7.351 17.814 1.00 0.00 N ATOM 2184 CA LEU S 34 34.392 6.889 19.131 1.00 0.00 C ATOM 2185 C LEU S 34 32.860 7.071 19.229 1.00 0.00 C ATOM 2186 O LEU S 34 32.292 7.145 20.294 1.00 0.00 O ATOM 2187 CB LEU S 34 35.091 7.738 20.202 1.00 0.00 C ATOM 2188 CG LEU S 34 36.364 8.441 19.624 1.00 0.00 C ATOM 2189 CD1 LEU S 34 37.262 7.439 18.831 1.00 0.00 C ATOM 2190 CD2 LEU S 34 35.960 9.654 18.745 1.00 0.00 C ATOM 0 H LEU S 34 35.878 7.023 17.603 1.00 0.00 H new ATOM 0 HA LEU S 34 34.580 5.823 19.260 1.00 0.00 H new ATOM 0 HB2 LEU S 34 34.399 8.489 20.583 1.00 0.00 H new ATOM 0 HB3 LEU S 34 35.372 7.106 21.045 1.00 0.00 H new ATOM 0 HG LEU S 34 36.957 8.808 20.462 1.00 0.00 H new ATOM 0 HD11 LEU S 34 38.137 7.962 18.444 1.00 0.00 H new ATOM 0 HD12 LEU S 34 37.583 6.635 19.494 1.00 0.00 H new ATOM 0 HD13 LEU S 34 36.694 7.019 18.001 1.00 0.00 H new ATOM 0 HD21 LEU S 34 36.857 10.132 18.351 1.00 0.00 H new ATOM 0 HD22 LEU S 34 35.337 9.313 17.918 1.00 0.00 H new ATOM 0 HD23 LEU S 34 35.402 10.370 19.348 1.00 0.00 H new ATOM 2202 N HIS S 35 32.319 6.972 18.021 1.00 0.00 N ATOM 2203 CA HIS S 35 30.896 7.164 17.548 1.00 0.00 C ATOM 2204 C HIS S 35 29.866 7.664 18.541 1.00 0.00 C ATOM 2205 O HIS S 35 28.741 7.879 18.172 1.00 0.00 O ATOM 2206 CB HIS S 35 30.504 5.741 17.145 1.00 0.00 C ATOM 2207 CG HIS S 35 31.848 5.099 16.933 1.00 0.00 C ATOM 2208 ND1 HIS S 35 32.641 5.644 16.114 1.00 0.00 N ATOM 2209 CD2 HIS S 35 32.629 4.390 17.800 1.00 0.00 C ATOM 2210 CE1 HIS S 35 33.843 5.391 16.415 1.00 0.00 C ATOM 2211 NE2 HIS S 35 33.921 4.578 17.474 1.00 0.00 N ATOM 0 H HIS S 35 32.916 6.726 17.231 1.00 0.00 H new ATOM 0 HA HIS S 35 30.890 7.947 16.789 1.00 0.00 H new ATOM 0 HB2 HIS S 35 29.930 5.239 17.924 1.00 0.00 H new ATOM 0 HB3 HIS S 35 29.896 5.725 16.240 1.00 0.00 H new ATOM 0 HD2 HIS S 35 32.269 3.778 18.614 1.00 0.00 H new ATOM 0 HE1 HIS S 35 34.698 5.782 15.884 1.00 0.00 H new ATOM 0 HE2 HIS S 35 34.753 4.195 17.923 1.00 0.00 H new ATOM 2219 N LEU S 36 30.262 7.937 19.730 1.00 0.00 N ATOM 2220 CA LEU S 36 29.261 8.416 20.700 1.00 0.00 C ATOM 2221 C LEU S 36 28.451 9.588 20.135 1.00 0.00 C ATOM 2222 O LEU S 36 27.238 9.564 20.181 1.00 0.00 O ATOM 2223 CB LEU S 36 29.974 8.814 22.009 1.00 0.00 C ATOM 2224 CG LEU S 36 29.614 7.836 23.149 1.00 0.00 C ATOM 2225 CD1 LEU S 36 28.086 7.737 23.303 1.00 0.00 C ATOM 2226 CD2 LEU S 36 30.210 6.445 22.858 1.00 0.00 C ATOM 0 H LEU S 36 31.218 7.853 20.075 1.00 0.00 H new ATOM 0 HA LEU S 36 28.555 7.612 20.906 1.00 0.00 H new ATOM 0 HB2 LEU S 36 31.053 8.818 21.854 1.00 0.00 H new ATOM 0 HB3 LEU S 36 29.689 9.828 22.290 1.00 0.00 H new ATOM 0 HG LEU S 36 30.035 8.212 24.081 1.00 0.00 H new ATOM 0 HD11 LEU S 36 27.846 7.045 24.110 1.00 0.00 H new ATOM 0 HD12 LEU S 36 27.679 8.721 23.536 1.00 0.00 H new ATOM 0 HD13 LEU S 36 27.649 7.375 22.372 1.00 0.00 H new ATOM 0 HD21 LEU S 36 29.951 5.762 23.667 1.00 0.00 H new ATOM 0 HD22 LEU S 36 29.806 6.065 21.919 1.00 0.00 H new ATOM 0 HD23 LEU S 36 31.295 6.523 22.782 1.00 0.00 H new ATOM 2238 N PRO S 37 29.106 10.599 19.602 1.00 0.00 N ATOM 2239 CA PRO S 37 28.369 11.739 19.047 1.00 0.00 C ATOM 2240 C PRO S 37 27.508 11.290 17.862 1.00 0.00 C ATOM 2241 O PRO S 37 26.301 11.195 17.976 1.00 0.00 O ATOM 2242 CB PRO S 37 29.453 12.721 18.576 1.00 0.00 C ATOM 2243 CG PRO S 37 30.829 12.123 18.963 1.00 0.00 C ATOM 2244 CD PRO S 37 30.582 10.716 19.525 1.00 0.00 C ATOM 0 HA PRO S 37 27.696 12.188 19.778 1.00 0.00 H new ATOM 0 HB2 PRO S 37 29.391 12.872 17.498 1.00 0.00 H new ATOM 0 HB3 PRO S 37 29.315 13.696 19.043 1.00 0.00 H new ATOM 0 HG2 PRO S 37 31.485 12.078 18.094 1.00 0.00 H new ATOM 0 HG3 PRO S 37 31.324 12.750 19.704 1.00 0.00 H new ATOM 0 HD2 PRO S 37 31.007 9.950 18.877 1.00 0.00 H new ATOM 0 HD3 PRO S 37 31.041 10.595 20.506 1.00 0.00 H new ATOM 2252 N LEU S 38 28.141 11.020 16.746 1.00 0.00 N ATOM 2253 CA LEU S 38 27.377 10.578 15.556 1.00 0.00 C ATOM 2254 C LEU S 38 26.434 9.438 15.896 1.00 0.00 C ATOM 2255 O LEU S 38 25.246 9.526 15.662 1.00 0.00 O ATOM 2256 CB LEU S 38 28.369 10.068 14.503 1.00 0.00 C ATOM 2257 CG LEU S 38 28.116 10.785 13.180 1.00 0.00 C ATOM 2258 CD1 LEU S 38 29.264 10.479 12.218 1.00 0.00 C ATOM 2259 CD2 LEU S 38 26.803 10.288 12.569 1.00 0.00 C ATOM 0 H LEU S 38 29.150 11.089 16.616 1.00 0.00 H new ATOM 0 HA LEU S 38 26.794 11.423 15.189 1.00 0.00 H new ATOM 0 HB2 LEU S 38 29.392 10.245 14.835 1.00 0.00 H new ATOM 0 HB3 LEU S 38 28.257 8.992 14.373 1.00 0.00 H new ATOM 0 HG LEU S 38 28.052 11.859 13.354 1.00 0.00 H new ATOM 0 HD11 LEU S 38 29.090 10.988 11.270 1.00 0.00 H new ATOM 0 HD12 LEU S 38 30.203 10.826 12.650 1.00 0.00 H new ATOM 0 HD13 LEU S 38 29.319 9.404 12.047 1.00 0.00 H new ATOM 0 HD21 LEU S 38 26.624 10.801 11.624 1.00 0.00 H new ATOM 0 HD22 LEU S 38 26.867 9.214 12.392 1.00 0.00 H new ATOM 0 HD23 LEU S 38 25.981 10.494 13.255 1.00 0.00 H new ATOM 2271 N LEU S 39 26.975 8.376 16.423 1.00 0.00 N ATOM 2272 CA LEU S 39 26.067 7.225 16.770 1.00 0.00 C ATOM 2273 C LEU S 39 24.778 7.716 17.438 1.00 0.00 C ATOM 2274 O LEU S 39 23.696 7.261 17.114 1.00 0.00 O ATOM 2275 CB LEU S 39 26.762 6.264 17.751 1.00 0.00 C ATOM 2276 CG LEU S 39 25.898 5.018 17.977 1.00 0.00 C ATOM 2277 CD1 LEU S 39 25.646 4.290 16.657 1.00 0.00 C ATOM 2278 CD2 LEU S 39 26.647 4.081 18.925 1.00 0.00 C ATOM 0 H LEU S 39 27.966 8.246 16.626 1.00 0.00 H new ATOM 0 HA LEU S 39 25.831 6.715 15.836 1.00 0.00 H new ATOM 0 HB2 LEU S 39 27.736 5.973 17.357 1.00 0.00 H new ATOM 0 HB3 LEU S 39 26.940 6.769 18.701 1.00 0.00 H new ATOM 0 HG LEU S 39 24.938 5.316 18.399 1.00 0.00 H new ATOM 0 HD11 LEU S 39 25.031 3.409 16.839 1.00 0.00 H new ATOM 0 HD12 LEU S 39 25.129 4.957 15.967 1.00 0.00 H new ATOM 0 HD13 LEU S 39 26.598 3.985 16.222 1.00 0.00 H new ATOM 0 HD21 LEU S 39 26.049 3.186 19.100 1.00 0.00 H new ATOM 0 HD22 LEU S 39 27.601 3.799 18.479 1.00 0.00 H new ATOM 0 HD23 LEU S 39 26.826 4.589 19.873 1.00 0.00 H new ATOM 2290 N ASN S 40 24.918 8.637 18.354 1.00 0.00 N ATOM 2291 CA ASN S 40 23.713 9.170 19.058 1.00 0.00 C ATOM 2292 C ASN S 40 22.848 10.054 18.152 1.00 0.00 C ATOM 2293 O ASN S 40 21.674 10.226 18.409 1.00 0.00 O ATOM 2294 CB ASN S 40 24.186 10.014 20.251 1.00 0.00 C ATOM 2295 CG ASN S 40 23.015 10.246 21.211 1.00 0.00 C ATOM 2296 OD1 ASN S 40 21.881 9.927 20.915 1.00 0.00 O ATOM 2297 ND2 ASN S 40 23.250 10.798 22.372 1.00 0.00 N ATOM 0 H ASN S 40 25.808 9.042 18.645 1.00 0.00 H new ATOM 0 HA ASN S 40 23.106 8.321 19.373 1.00 0.00 H new ATOM 0 HB2 ASN S 40 24.999 9.506 20.769 1.00 0.00 H new ATOM 0 HB3 ASN S 40 24.578 10.969 19.901 1.00 0.00 H new ATOM 0 HD21 ASN S 40 22.483 10.959 23.025 1.00 0.00 H new ATOM 0 HD22 ASN S 40 24.200 11.068 22.625 1.00 0.00 H new ATOM 2304 N LEU S 41 23.425 10.602 17.114 1.00 0.00 N ATOM 2305 CA LEU S 41 22.609 11.473 16.213 1.00 0.00 C ATOM 2306 C LEU S 41 21.344 10.755 15.747 1.00 0.00 C ATOM 2307 O LEU S 41 20.259 11.292 15.856 1.00 0.00 O ATOM 2308 CB LEU S 41 23.438 11.845 14.961 1.00 0.00 C ATOM 2309 CG LEU S 41 23.257 13.334 14.589 1.00 0.00 C ATOM 2310 CD1 LEU S 41 21.762 13.706 14.545 1.00 0.00 C ATOM 2311 CD2 LEU S 41 24.007 14.230 15.596 1.00 0.00 C ATOM 0 H LEU S 41 24.405 10.489 16.854 1.00 0.00 H new ATOM 0 HA LEU S 41 22.331 12.365 16.775 1.00 0.00 H new ATOM 0 HB2 LEU S 41 24.492 11.640 15.146 1.00 0.00 H new ATOM 0 HB3 LEU S 41 23.134 11.219 14.122 1.00 0.00 H new ATOM 0 HG LEU S 41 23.678 13.496 13.597 1.00 0.00 H new ATOM 0 HD11 LEU S 41 21.657 14.758 14.281 1.00 0.00 H new ATOM 0 HD12 LEU S 41 21.256 13.093 13.799 1.00 0.00 H new ATOM 0 HD13 LEU S 41 21.314 13.530 15.523 1.00 0.00 H new ATOM 0 HD21 LEU S 41 23.872 15.277 15.323 1.00 0.00 H new ATOM 0 HD22 LEU S 41 23.611 14.062 16.598 1.00 0.00 H new ATOM 0 HD23 LEU S 41 25.069 13.985 15.580 1.00 0.00 H new ATOM 2323 N MET S 42 21.502 9.557 15.244 1.00 0.00 N ATOM 2324 CA MET S 42 20.313 8.796 14.764 1.00 0.00 C ATOM 2325 C MET S 42 19.994 7.595 15.663 1.00 0.00 C ATOM 2326 O MET S 42 19.556 6.560 15.202 1.00 0.00 O ATOM 2327 CB MET S 42 20.621 8.317 13.337 1.00 0.00 C ATOM 2328 CG MET S 42 19.747 9.103 12.357 1.00 0.00 C ATOM 2329 SD MET S 42 17.962 8.824 12.429 1.00 0.00 S ATOM 2330 CE MET S 42 17.945 7.290 11.470 1.00 0.00 C ATOM 0 H MET S 42 22.397 9.077 15.146 1.00 0.00 H new ATOM 0 HA MET S 42 19.437 9.444 14.787 1.00 0.00 H new ATOM 0 HB2 MET S 42 21.676 8.467 13.107 1.00 0.00 H new ATOM 0 HB3 MET S 42 20.424 7.249 13.246 1.00 0.00 H new ATOM 0 HG2 MET S 42 19.929 10.165 12.520 1.00 0.00 H new ATOM 0 HG3 MET S 42 20.084 8.873 11.346 1.00 0.00 H new ATOM 0 HE1 MET S 42 16.921 6.926 11.384 1.00 0.00 H new ATOM 0 HE2 MET S 42 18.348 7.478 10.475 1.00 0.00 H new ATOM 0 HE3 MET S 42 18.555 6.540 11.973 1.00 0.00 H new ATOM 2340 N LEU S 43 20.202 7.757 16.939 1.00 0.00 N ATOM 2341 CA LEU S 43 19.913 6.639 17.866 1.00 0.00 C ATOM 2342 C LEU S 43 18.550 6.007 17.561 1.00 0.00 C ATOM 2343 O LEU S 43 18.379 4.825 17.745 1.00 0.00 O ATOM 2344 CB LEU S 43 19.960 7.202 19.302 1.00 0.00 C ATOM 2345 CG LEU S 43 18.555 7.580 19.810 1.00 0.00 C ATOM 2346 CD1 LEU S 43 17.788 6.330 20.275 1.00 0.00 C ATOM 2347 CD2 LEU S 43 18.704 8.527 21.002 1.00 0.00 C ATOM 0 H LEU S 43 20.557 8.609 17.374 1.00 0.00 H new ATOM 0 HA LEU S 43 20.654 5.849 17.748 1.00 0.00 H new ATOM 0 HB2 LEU S 43 20.402 6.462 19.969 1.00 0.00 H new ATOM 0 HB3 LEU S 43 20.605 8.080 19.328 1.00 0.00 H new ATOM 0 HG LEU S 43 18.004 8.054 18.998 1.00 0.00 H new ATOM 0 HD11 LEU S 43 16.799 6.621 20.629 1.00 0.00 H new ATOM 0 HD12 LEU S 43 17.685 5.635 19.441 1.00 0.00 H new ATOM 0 HD13 LEU S 43 18.336 5.847 21.084 1.00 0.00 H new ATOM 0 HD21 LEU S 43 17.717 8.803 21.373 1.00 0.00 H new ATOM 0 HD22 LEU S 43 19.263 8.029 21.794 1.00 0.00 H new ATOM 0 HD23 LEU S 43 19.239 9.424 20.689 1.00 0.00 H new ATOM 2359 N THR S 44 17.628 6.816 17.089 1.00 0.00 N ATOM 2360 CA THR S 44 16.251 6.322 16.749 1.00 0.00 C ATOM 2361 C THR S 44 15.782 5.142 17.644 1.00 0.00 C ATOM 2362 O THR S 44 16.315 4.056 17.542 1.00 0.00 O ATOM 2363 CB THR S 44 16.277 5.821 15.302 1.00 0.00 C ATOM 2364 OG1 THR S 44 17.274 6.587 14.649 1.00 0.00 O ATOM 2365 CG2 THR S 44 14.978 6.189 14.577 1.00 0.00 C ATOM 0 H THR S 44 17.773 7.812 16.923 1.00 0.00 H new ATOM 0 HA THR S 44 15.560 7.151 16.905 1.00 0.00 H new ATOM 0 HB THR S 44 16.434 4.742 15.291 1.00 0.00 H new ATOM 0 HG1 THR S 44 18.153 6.183 14.807 1.00 0.00 H new ATOM 0 HG21 THR S 44 15.018 5.824 13.551 1.00 0.00 H new ATOM 0 HG22 THR S 44 14.132 5.733 15.092 1.00 0.00 H new ATOM 0 HG23 THR S 44 14.859 7.272 14.572 1.00 0.00 H new ATOM 2373 N PRO S 45 14.752 5.328 18.466 1.00 0.00 N ATOM 2374 CA PRO S 45 14.287 4.227 19.328 1.00 0.00 C ATOM 2375 C PRO S 45 14.029 2.973 18.501 1.00 0.00 C ATOM 2376 O PRO S 45 14.130 1.864 18.990 1.00 0.00 O ATOM 2377 CB PRO S 45 12.975 4.734 19.951 1.00 0.00 C ATOM 2378 CG PRO S 45 12.820 6.226 19.562 1.00 0.00 C ATOM 2379 CD PRO S 45 13.937 6.564 18.562 1.00 0.00 C ATOM 0 HA PRO S 45 15.026 3.961 20.084 1.00 0.00 H new ATOM 0 HB2 PRO S 45 12.128 4.153 19.586 1.00 0.00 H new ATOM 0 HB3 PRO S 45 12.996 4.621 21.035 1.00 0.00 H new ATOM 0 HG2 PRO S 45 11.841 6.406 19.118 1.00 0.00 H new ATOM 0 HG3 PRO S 45 12.891 6.861 20.445 1.00 0.00 H new ATOM 0 HD2 PRO S 45 13.527 6.843 17.591 1.00 0.00 H new ATOM 0 HD3 PRO S 45 14.536 7.406 18.909 1.00 0.00 H new ATOM 2387 N ASP S 46 13.705 3.178 17.255 1.00 0.00 N ATOM 2388 CA ASP S 46 13.438 2.021 16.368 1.00 0.00 C ATOM 2389 C ASP S 46 14.700 1.180 16.212 1.00 0.00 C ATOM 2390 O ASP S 46 14.644 -0.034 16.197 1.00 0.00 O ATOM 2391 CB ASP S 46 13.027 2.560 14.993 1.00 0.00 C ATOM 2392 CG ASP S 46 13.344 1.513 13.923 1.00 0.00 C ATOM 2393 OD1 ASP S 46 12.686 0.488 13.957 1.00 0.00 O ATOM 2394 OD2 ASP S 46 14.229 1.799 13.132 1.00 0.00 O ATOM 0 H ASP S 46 13.615 4.095 16.817 1.00 0.00 H new ATOM 0 HA ASP S 46 12.649 1.402 16.795 1.00 0.00 H new ATOM 0 HB2 ASP S 46 11.962 2.794 14.985 1.00 0.00 H new ATOM 0 HB3 ASP S 46 13.559 3.487 14.779 1.00 0.00 H new ATOM 2399 N GLU S 47 15.819 1.845 16.096 1.00 0.00 N ATOM 2400 CA GLU S 47 17.096 1.104 15.941 1.00 0.00 C ATOM 2401 C GLU S 47 17.529 0.511 17.280 1.00 0.00 C ATOM 2402 O GLU S 47 17.959 -0.622 17.350 1.00 0.00 O ATOM 2403 CB GLU S 47 18.174 2.085 15.461 1.00 0.00 C ATOM 2404 CG GLU S 47 18.090 2.214 13.939 1.00 0.00 C ATOM 2405 CD GLU S 47 18.745 0.992 13.293 1.00 0.00 C ATOM 2406 OE1 GLU S 47 19.895 0.757 13.624 1.00 0.00 O ATOM 2407 OE2 GLU S 47 18.058 0.362 12.506 1.00 0.00 O ATOM 0 H GLU S 47 15.900 2.862 16.102 1.00 0.00 H new ATOM 0 HA GLU S 47 16.961 0.297 15.221 1.00 0.00 H new ATOM 0 HB2 GLU S 47 18.032 3.059 15.930 1.00 0.00 H new ATOM 0 HB3 GLU S 47 19.162 1.731 15.755 1.00 0.00 H new ATOM 0 HG2 GLU S 47 17.049 2.292 13.626 1.00 0.00 H new ATOM 0 HG3 GLU S 47 18.590 3.125 13.611 1.00 0.00 H new ATOM 2414 N ARG S 48 17.405 1.293 18.320 1.00 0.00 N ATOM 2415 CA ARG S 48 17.802 0.789 19.660 1.00 0.00 C ATOM 2416 C ARG S 48 17.172 -0.574 19.920 1.00 0.00 C ATOM 2417 O ARG S 48 17.776 -1.438 20.525 1.00 0.00 O ATOM 2418 CB ARG S 48 17.293 1.775 20.719 1.00 0.00 C ATOM 2419 CG ARG S 48 17.650 1.247 22.110 1.00 0.00 C ATOM 2420 CD ARG S 48 17.628 2.407 23.105 1.00 0.00 C ATOM 2421 NE ARG S 48 18.685 3.385 22.724 1.00 0.00 N ATOM 2422 CZ ARG S 48 18.764 4.522 23.357 1.00 0.00 C ATOM 2423 NH1 ARG S 48 17.661 5.151 23.661 1.00 0.00 N ATOM 2424 NH2 ARG S 48 19.942 4.994 23.662 1.00 0.00 N ATOM 0 H ARG S 48 17.049 2.249 18.297 1.00 0.00 H new ATOM 0 HA ARG S 48 18.887 0.695 19.704 1.00 0.00 H new ATOM 0 HB2 ARG S 48 17.740 2.757 20.564 1.00 0.00 H new ATOM 0 HB3 ARG S 48 16.214 1.898 20.630 1.00 0.00 H new ATOM 0 HG2 ARG S 48 16.940 0.477 22.414 1.00 0.00 H new ATOM 0 HG3 ARG S 48 18.636 0.783 22.095 1.00 0.00 H new ATOM 0 HD2 ARG S 48 16.650 2.888 23.103 1.00 0.00 H new ATOM 0 HD3 ARG S 48 17.800 2.040 24.117 1.00 0.00 H new ATOM 0 HE ARG S 48 19.341 3.167 21.974 1.00 0.00 H new ATOM 0 HH11 ARG S 48 16.759 4.752 23.403 1.00 0.00 H new ATOM 0 HH12 ARG S 48 17.702 6.042 24.156 1.00 0.00 H new ATOM 0 HH21 ARG S 48 20.782 4.475 23.405 1.00 0.00 H new ATOM 0 HH22 ARG S 48 20.023 5.882 24.157 1.00 0.00 H new ATOM 2438 N GLU S 49 15.963 -0.737 19.457 1.00 0.00 N ATOM 2439 CA GLU S 49 15.271 -2.033 19.663 1.00 0.00 C ATOM 2440 C GLU S 49 15.973 -3.149 18.890 1.00 0.00 C ATOM 2441 O GLU S 49 15.939 -4.298 19.287 1.00 0.00 O ATOM 2442 CB GLU S 49 13.837 -1.901 19.134 1.00 0.00 C ATOM 2443 CG GLU S 49 12.884 -2.645 20.072 1.00 0.00 C ATOM 2444 CD GLU S 49 13.336 -4.101 20.202 1.00 0.00 C ATOM 2445 OE1 GLU S 49 13.303 -4.772 19.184 1.00 0.00 O ATOM 2446 OE2 GLU S 49 13.691 -4.460 21.313 1.00 0.00 O ATOM 0 H GLU S 49 15.430 -0.032 18.948 1.00 0.00 H new ATOM 0 HA GLU S 49 15.281 -2.279 20.725 1.00 0.00 H new ATOM 0 HB2 GLU S 49 13.556 -0.850 19.069 1.00 0.00 H new ATOM 0 HB3 GLU S 49 13.769 -2.312 18.127 1.00 0.00 H new ATOM 0 HG2 GLU S 49 12.873 -2.167 21.052 1.00 0.00 H new ATOM 0 HG3 GLU S 49 11.866 -2.601 19.684 1.00 0.00 H new ATOM 2453 N ALA S 50 16.595 -2.789 17.800 1.00 0.00 N ATOM 2454 CA ALA S 50 17.304 -3.815 16.991 1.00 0.00 C ATOM 2455 C ALA S 50 18.765 -3.928 17.413 1.00 0.00 C ATOM 2456 O ALA S 50 19.449 -4.864 17.051 1.00 0.00 O ATOM 2457 CB ALA S 50 17.252 -3.387 15.520 1.00 0.00 C ATOM 0 H ALA S 50 16.642 -1.836 17.439 1.00 0.00 H new ATOM 0 HA ALA S 50 16.822 -4.781 17.141 1.00 0.00 H new ATOM 0 HB1 ALA S 50 17.767 -4.127 14.907 1.00 0.00 H new ATOM 0 HB2 ALA S 50 16.213 -3.311 15.200 1.00 0.00 H new ATOM 0 HB3 ALA S 50 17.739 -2.419 15.405 1.00 0.00 H new ATOM 2463 N LEU S 51 19.214 -2.970 18.172 1.00 0.00 N ATOM 2464 CA LEU S 51 20.626 -2.998 18.629 1.00 0.00 C ATOM 2465 C LEU S 51 20.895 -4.237 19.481 1.00 0.00 C ATOM 2466 O LEU S 51 21.543 -5.169 19.043 1.00 0.00 O ATOM 2467 CB LEU S 51 20.861 -1.733 19.481 1.00 0.00 C ATOM 2468 CG LEU S 51 22.359 -1.499 19.766 1.00 0.00 C ATOM 2469 CD1 LEU S 51 22.942 -2.611 20.635 1.00 0.00 C ATOM 2470 CD2 LEU S 51 23.146 -1.351 18.463 1.00 0.00 C ATOM 0 H LEU S 51 18.666 -2.172 18.494 1.00 0.00 H new ATOM 0 HA LEU S 51 21.294 -3.028 17.768 1.00 0.00 H new ATOM 0 HB2 LEU S 51 20.451 -0.866 18.964 1.00 0.00 H new ATOM 0 HB3 LEU S 51 20.323 -1.826 20.424 1.00 0.00 H new ATOM 0 HG LEU S 51 22.448 -0.566 20.323 1.00 0.00 H new ATOM 0 HD11 LEU S 51 23.999 -2.415 20.816 1.00 0.00 H new ATOM 0 HD12 LEU S 51 22.411 -2.646 21.586 1.00 0.00 H new ATOM 0 HD13 LEU S 51 22.833 -3.567 20.124 1.00 0.00 H new ATOM 0 HD21 LEU S 51 24.199 -1.187 18.691 1.00 0.00 H new ATOM 0 HD22 LEU S 51 23.040 -2.259 17.869 1.00 0.00 H new ATOM 0 HD23 LEU S 51 22.760 -0.502 17.899 1.00 0.00 H new ATOM 2482 N GLY S 52 20.381 -4.227 20.678 1.00 0.00 N ATOM 2483 CA GLY S 52 20.598 -5.390 21.574 1.00 0.00 C ATOM 2484 C GLY S 52 20.155 -6.694 20.896 1.00 0.00 C ATOM 2485 O GLY S 52 20.792 -7.719 21.042 1.00 0.00 O ATOM 0 H GLY S 52 19.824 -3.468 21.071 1.00 0.00 H new ATOM 0 HA2 GLY S 52 21.652 -5.455 21.843 1.00 0.00 H new ATOM 0 HA3 GLY S 52 20.041 -5.250 22.500 1.00 0.00 H new ATOM 2489 N THR S 53 19.075 -6.628 20.165 1.00 0.00 N ATOM 2490 CA THR S 53 18.582 -7.853 19.475 1.00 0.00 C ATOM 2491 C THR S 53 19.541 -8.294 18.371 1.00 0.00 C ATOM 2492 O THR S 53 19.678 -9.473 18.103 1.00 0.00 O ATOM 2493 CB THR S 53 17.225 -7.539 18.845 1.00 0.00 C ATOM 2494 OG1 THR S 53 16.466 -6.927 19.872 1.00 0.00 O ATOM 2495 CG2 THR S 53 16.465 -8.830 18.516 1.00 0.00 C ATOM 0 H THR S 53 18.518 -5.787 20.017 1.00 0.00 H new ATOM 0 HA THR S 53 18.505 -8.657 20.206 1.00 0.00 H new ATOM 0 HB THR S 53 17.365 -6.940 17.945 1.00 0.00 H new ATOM 0 HG1 THR S 53 16.172 -6.040 19.577 1.00 0.00 H new ATOM 0 HG21 THR S 53 15.502 -8.582 18.069 1.00 0.00 H new ATOM 0 HG22 THR S 53 17.048 -9.427 17.814 1.00 0.00 H new ATOM 0 HG23 THR S 53 16.304 -9.400 19.431 1.00 0.00 H new ATOM 2503 N ARG S 54 20.183 -7.346 17.745 1.00 0.00 N ATOM 2504 CA ARG S 54 21.130 -7.708 16.657 1.00 0.00 C ATOM 2505 C ARG S 54 22.305 -8.509 17.203 1.00 0.00 C ATOM 2506 O ARG S 54 22.813 -9.389 16.540 1.00 0.00 O ATOM 2507 CB ARG S 54 21.664 -6.423 16.015 1.00 0.00 C ATOM 2508 CG ARG S 54 22.912 -6.760 15.197 1.00 0.00 C ATOM 2509 CD ARG S 54 23.136 -5.673 14.143 1.00 0.00 C ATOM 2510 NE ARG S 54 24.600 -5.514 13.921 1.00 0.00 N ATOM 2511 CZ ARG S 54 25.044 -5.259 12.720 1.00 0.00 C ATOM 2512 NH1 ARG S 54 24.778 -4.100 12.182 1.00 0.00 N ATOM 2513 NH2 ARG S 54 25.738 -6.172 12.096 1.00 0.00 N ATOM 0 H ARG S 54 20.094 -6.348 17.938 1.00 0.00 H new ATOM 0 HA ARG S 54 20.602 -8.316 15.923 1.00 0.00 H new ATOM 0 HB2 ARG S 54 20.903 -5.977 15.375 1.00 0.00 H new ATOM 0 HB3 ARG S 54 21.904 -5.689 16.784 1.00 0.00 H new ATOM 0 HG2 ARG S 54 23.781 -6.833 15.851 1.00 0.00 H new ATOM 0 HG3 ARG S 54 22.794 -7.731 14.715 1.00 0.00 H new ATOM 0 HD2 ARG S 54 22.640 -5.943 13.211 1.00 0.00 H new ATOM 0 HD3 ARG S 54 22.700 -4.731 14.474 1.00 0.00 H new ATOM 0 HE ARG S 54 25.251 -5.604 14.701 1.00 0.00 H new ATOM 0 HH11 ARG S 54 24.232 -3.411 12.699 1.00 0.00 H new ATOM 0 HH12 ARG S 54 25.117 -3.883 11.245 1.00 0.00 H new ATOM 0 HH21 ARG S 54 25.925 -7.067 12.547 1.00 0.00 H new ATOM 0 HH22 ARG S 54 26.093 -5.990 11.157 1.00 0.00 H new ATOM 2527 N VAL S 55 22.737 -8.185 18.387 1.00 0.00 N ATOM 2528 CA VAL S 55 23.874 -8.938 18.957 1.00 0.00 C ATOM 2529 C VAL S 55 23.395 -10.258 19.563 1.00 0.00 C ATOM 2530 O VAL S 55 24.153 -11.202 19.695 1.00 0.00 O ATOM 2531 CB VAL S 55 24.531 -8.064 20.045 1.00 0.00 C ATOM 2532 CG1 VAL S 55 24.109 -6.604 19.853 1.00 0.00 C ATOM 2533 CG2 VAL S 55 24.108 -8.518 21.451 1.00 0.00 C ATOM 0 H VAL S 55 22.356 -7.443 18.974 1.00 0.00 H new ATOM 0 HA VAL S 55 24.594 -9.171 18.172 1.00 0.00 H new ATOM 0 HB VAL S 55 25.612 -8.165 19.952 1.00 0.00 H new ATOM 0 HG11 VAL S 55 24.574 -5.987 20.622 1.00 0.00 H new ATOM 0 HG12 VAL S 55 24.428 -6.259 18.869 1.00 0.00 H new ATOM 0 HG13 VAL S 55 23.025 -6.525 19.931 1.00 0.00 H new ATOM 0 HG21 VAL S 55 24.586 -7.884 22.197 1.00 0.00 H new ATOM 0 HG22 VAL S 55 23.025 -8.439 21.548 1.00 0.00 H new ATOM 0 HG23 VAL S 55 24.412 -9.553 21.606 1.00 0.00 H new ATOM 2543 N ARG S 56 22.136 -10.300 19.905 1.00 0.00 N ATOM 2544 CA ARG S 56 21.576 -11.540 20.505 1.00 0.00 C ATOM 2545 C ARG S 56 21.548 -12.718 19.524 1.00 0.00 C ATOM 2546 O ARG S 56 21.781 -13.843 19.917 1.00 0.00 O ATOM 2547 CB ARG S 56 20.140 -11.246 20.954 1.00 0.00 C ATOM 2548 CG ARG S 56 19.778 -12.180 22.112 1.00 0.00 C ATOM 2549 CD ARG S 56 18.280 -12.074 22.401 1.00 0.00 C ATOM 2550 NE ARG S 56 17.888 -13.169 23.334 1.00 0.00 N ATOM 2551 CZ ARG S 56 18.302 -13.137 24.571 1.00 0.00 C ATOM 2552 NH1 ARG S 56 19.574 -13.301 24.815 1.00 0.00 N ATOM 2553 NH2 ARG S 56 17.431 -12.947 25.523 1.00 0.00 N ATOM 0 H ARG S 56 21.475 -9.531 19.795 1.00 0.00 H new ATOM 0 HA ARG S 56 22.218 -11.826 21.338 1.00 0.00 H new ATOM 0 HB2 ARG S 56 20.049 -10.206 21.267 1.00 0.00 H new ATOM 0 HB3 ARG S 56 19.449 -11.391 20.124 1.00 0.00 H new ATOM 0 HG2 ARG S 56 20.039 -13.208 21.860 1.00 0.00 H new ATOM 0 HG3 ARG S 56 20.351 -11.914 23.001 1.00 0.00 H new ATOM 0 HD2 ARG S 56 18.049 -11.104 22.841 1.00 0.00 H new ATOM 0 HD3 ARG S 56 17.711 -12.147 21.474 1.00 0.00 H new ATOM 0 HE ARG S 56 17.301 -13.937 23.008 1.00 0.00 H new ATOM 0 HH11 ARG S 56 20.226 -13.451 24.045 1.00 0.00 H new ATOM 0 HH12 ARG S 56 19.916 -13.279 25.776 1.00 0.00 H new ATOM 0 HH21 ARG S 56 16.444 -12.826 25.295 1.00 0.00 H new ATOM 0 HH22 ARG S 56 17.737 -12.919 26.496 1.00 0.00 H new ATOM 2567 N ILE S 57 21.268 -12.458 18.271 1.00 0.00 N ATOM 2568 CA ILE S 57 21.232 -13.595 17.306 1.00 0.00 C ATOM 2569 C ILE S 57 22.618 -14.218 17.128 1.00 0.00 C ATOM 2570 O ILE S 57 22.803 -15.379 17.423 1.00 0.00 O ATOM 2571 CB ILE S 57 20.679 -13.116 15.952 1.00 0.00 C ATOM 2572 CG1 ILE S 57 21.273 -13.943 14.802 1.00 0.00 C ATOM 2573 CG2 ILE S 57 21.047 -11.645 15.740 1.00 0.00 C ATOM 2574 CD1 ILE S 57 20.482 -13.706 13.506 1.00 0.00 C ATOM 0 H ILE S 57 21.068 -11.536 17.884 1.00 0.00 H new ATOM 0 HA ILE S 57 20.573 -14.364 17.709 1.00 0.00 H new ATOM 0 HB ILE S 57 19.596 -13.238 15.960 1.00 0.00 H new ATOM 0 HG12 ILE S 57 22.318 -13.671 14.652 1.00 0.00 H new ATOM 0 HG13 ILE S 57 21.253 -15.002 15.059 1.00 0.00 H new ATOM 0 HG21 ILE S 57 20.655 -11.306 14.781 1.00 0.00 H new ATOM 0 HG22 ILE S 57 20.617 -11.043 16.541 1.00 0.00 H new ATOM 0 HG23 ILE S 57 22.132 -11.537 15.747 1.00 0.00 H new ATOM 0 HD11 ILE S 57 20.916 -14.299 12.701 1.00 0.00 H new ATOM 0 HD12 ILE S 57 19.443 -14.001 13.655 1.00 0.00 H new ATOM 0 HD13 ILE S 57 20.525 -12.649 13.242 1.00 0.00 H new ATOM 2586 N VAL S 58 23.570 -13.458 16.654 1.00 0.00 N ATOM 2587 CA VAL S 58 24.927 -14.046 16.473 1.00 0.00 C ATOM 2588 C VAL S 58 25.345 -14.829 17.721 1.00 0.00 C ATOM 2589 O VAL S 58 25.870 -15.926 17.625 1.00 0.00 O ATOM 2590 CB VAL S 58 25.938 -12.915 16.223 1.00 0.00 C ATOM 2591 CG1 VAL S 58 25.657 -11.739 17.164 1.00 0.00 C ATOM 2592 CG2 VAL S 58 27.348 -13.445 16.489 1.00 0.00 C ATOM 0 H VAL S 58 23.470 -12.478 16.390 1.00 0.00 H new ATOM 0 HA VAL S 58 24.905 -14.727 15.622 1.00 0.00 H new ATOM 0 HB VAL S 58 25.850 -12.574 15.192 1.00 0.00 H new ATOM 0 HG11 VAL S 58 26.379 -10.944 16.978 1.00 0.00 H new ATOM 0 HG12 VAL S 58 24.649 -11.363 16.986 1.00 0.00 H new ATOM 0 HG13 VAL S 58 25.742 -12.072 18.198 1.00 0.00 H new ATOM 0 HG21 VAL S 58 28.074 -12.651 16.315 1.00 0.00 H new ATOM 0 HG22 VAL S 58 27.421 -13.783 17.523 1.00 0.00 H new ATOM 0 HG23 VAL S 58 27.555 -14.280 15.819 1.00 0.00 H new ATOM 2602 N GLU S 59 25.087 -14.261 18.870 1.00 0.00 N ATOM 2603 CA GLU S 59 25.463 -14.955 20.131 1.00 0.00 C ATOM 2604 C GLU S 59 24.741 -16.295 20.265 1.00 0.00 C ATOM 2605 O GLU S 59 25.363 -17.339 20.281 1.00 0.00 O ATOM 2606 CB GLU S 59 25.061 -14.060 21.312 1.00 0.00 C ATOM 2607 CG GLU S 59 25.534 -14.703 22.619 1.00 0.00 C ATOM 2608 CD GLU S 59 24.319 -15.025 23.492 1.00 0.00 C ATOM 2609 OE1 GLU S 59 23.727 -14.070 23.968 1.00 0.00 O ATOM 2610 OE2 GLU S 59 24.053 -16.207 23.634 1.00 0.00 O ATOM 0 H GLU S 59 24.636 -13.354 18.987 1.00 0.00 H new ATOM 0 HA GLU S 59 26.537 -15.143 20.121 1.00 0.00 H new ATOM 0 HB2 GLU S 59 25.503 -13.070 21.200 1.00 0.00 H new ATOM 0 HB3 GLU S 59 23.979 -13.926 21.330 1.00 0.00 H new ATOM 0 HG2 GLU S 59 26.096 -15.613 22.408 1.00 0.00 H new ATOM 0 HG3 GLU S 59 26.207 -14.028 23.147 1.00 0.00 H new ATOM 2617 N GLU S 60 23.439 -16.244 20.361 1.00 0.00 N ATOM 2618 CA GLU S 60 22.666 -17.509 20.497 1.00 0.00 C ATOM 2619 C GLU S 60 22.989 -18.486 19.371 1.00 0.00 C ATOM 2620 O GLU S 60 23.068 -19.678 19.588 1.00 0.00 O ATOM 2621 CB GLU S 60 21.171 -17.173 20.439 1.00 0.00 C ATOM 2622 CG GLU S 60 20.366 -18.370 20.950 1.00 0.00 C ATOM 2623 CD GLU S 60 19.233 -18.681 19.971 1.00 0.00 C ATOM 2624 OE1 GLU S 60 18.512 -17.745 19.665 1.00 0.00 O ATOM 2625 OE2 GLU S 60 19.153 -19.834 19.583 1.00 0.00 O ATOM 0 H GLU S 60 22.883 -15.389 20.351 1.00 0.00 H new ATOM 0 HA GLU S 60 22.933 -17.977 21.445 1.00 0.00 H new ATOM 0 HB2 GLU S 60 20.960 -16.292 21.046 1.00 0.00 H new ATOM 0 HB3 GLU S 60 20.879 -16.933 19.416 1.00 0.00 H new ATOM 0 HG2 GLU S 60 21.016 -19.239 21.058 1.00 0.00 H new ATOM 0 HG3 GLU S 60 19.958 -18.152 21.937 1.00 0.00 H new ATOM 3131 N VAL S 94 28.509 -18.418 3.656 1.00 0.00 N ATOM 3132 CA VAL S 94 29.785 -19.022 4.135 1.00 0.00 C ATOM 3133 C VAL S 94 30.834 -17.954 4.436 1.00 0.00 C ATOM 3134 O VAL S 94 31.731 -18.171 5.225 1.00 0.00 O ATOM 3135 CB VAL S 94 30.325 -19.938 3.028 1.00 0.00 C ATOM 3136 CG1 VAL S 94 31.790 -20.270 3.321 1.00 0.00 C ATOM 3137 CG2 VAL S 94 29.509 -21.232 3.000 1.00 0.00 C ATOM 0 HA VAL S 94 29.586 -19.574 5.054 1.00 0.00 H new ATOM 0 HB VAL S 94 30.247 -19.436 2.064 1.00 0.00 H new ATOM 0 HG11 VAL S 94 32.179 -20.921 2.538 1.00 0.00 H new ATOM 0 HG12 VAL S 94 32.373 -19.349 3.351 1.00 0.00 H new ATOM 0 HG13 VAL S 94 31.863 -20.777 4.283 1.00 0.00 H new ATOM 0 HG21 VAL S 94 29.890 -21.885 2.215 1.00 0.00 H new ATOM 0 HG22 VAL S 94 29.592 -21.736 3.963 1.00 0.00 H new ATOM 0 HG23 VAL S 94 28.463 -20.998 2.802 1.00 0.00 H new ATOM 3147 N GLU S 95 30.707 -16.821 3.804 1.00 0.00 N ATOM 3148 CA GLU S 95 31.697 -15.741 4.050 1.00 0.00 C ATOM 3149 C GLU S 95 31.523 -15.137 5.444 1.00 0.00 C ATOM 3150 O GLU S 95 32.181 -14.174 5.790 1.00 0.00 O ATOM 3151 CB GLU S 95 31.478 -14.644 3.005 1.00 0.00 C ATOM 3152 CG GLU S 95 31.688 -15.239 1.610 1.00 0.00 C ATOM 3153 CD GLU S 95 31.708 -14.113 0.575 1.00 0.00 C ATOM 3154 OE1 GLU S 95 31.447 -12.994 0.987 1.00 0.00 O ATOM 3155 OE2 GLU S 95 31.982 -14.435 -0.569 1.00 0.00 O ATOM 0 H GLU S 95 29.969 -16.599 3.136 1.00 0.00 H new ATOM 0 HA GLU S 95 32.701 -16.159 3.981 1.00 0.00 H new ATOM 0 HB2 GLU S 95 30.471 -14.235 3.093 1.00 0.00 H new ATOM 0 HB3 GLU S 95 32.172 -13.820 3.172 1.00 0.00 H new ATOM 0 HG2 GLU S 95 32.625 -15.795 1.577 1.00 0.00 H new ATOM 0 HG3 GLU S 95 30.890 -15.945 1.380 1.00 0.00 H new ATOM 3162 N LEU S 96 30.649 -15.720 6.222 1.00 0.00 N ATOM 3163 CA LEU S 96 30.417 -15.193 7.595 1.00 0.00 C ATOM 3164 C LEU S 96 31.188 -16.012 8.627 1.00 0.00 C ATOM 3165 O LEU S 96 31.974 -15.475 9.384 1.00 0.00 O ATOM 3166 CB LEU S 96 28.915 -15.286 7.903 1.00 0.00 C ATOM 3167 CG LEU S 96 28.528 -14.138 8.843 1.00 0.00 C ATOM 3168 CD1 LEU S 96 27.048 -14.256 9.215 1.00 0.00 C ATOM 3169 CD2 LEU S 96 29.363 -14.237 10.116 1.00 0.00 C ATOM 0 H LEU S 96 30.090 -16.534 5.966 1.00 0.00 H new ATOM 0 HA LEU S 96 30.761 -14.160 7.645 1.00 0.00 H new ATOM 0 HB2 LEU S 96 28.337 -15.229 6.981 1.00 0.00 H new ATOM 0 HB3 LEU S 96 28.684 -16.246 8.365 1.00 0.00 H new ATOM 0 HG LEU S 96 28.707 -13.185 8.346 1.00 0.00 H new ATOM 0 HD11 LEU S 96 26.775 -13.439 9.883 1.00 0.00 H new ATOM 0 HD12 LEU S 96 26.441 -14.205 8.311 1.00 0.00 H new ATOM 0 HD13 LEU S 96 26.874 -15.208 9.716 1.00 0.00 H new ATOM 0 HD21 LEU S 96 29.095 -13.424 10.791 1.00 0.00 H new ATOM 0 HD22 LEU S 96 29.171 -15.193 10.604 1.00 0.00 H new ATOM 0 HD23 LEU S 96 30.421 -14.165 9.864 1.00 0.00 H new ATOM 3181 N ARG S 97 30.950 -17.294 8.640 1.00 0.00 N ATOM 3182 CA ARG S 97 31.668 -18.147 9.619 1.00 0.00 C ATOM 3183 C ARG S 97 33.152 -17.804 9.605 1.00 0.00 C ATOM 3184 O ARG S 97 33.863 -18.045 10.563 1.00 0.00 O ATOM 3185 CB ARG S 97 31.487 -19.623 9.225 1.00 0.00 C ATOM 3186 CG ARG S 97 30.467 -19.728 8.085 1.00 0.00 C ATOM 3187 CD ARG S 97 30.203 -21.203 7.771 1.00 0.00 C ATOM 3188 NE ARG S 97 30.712 -21.511 6.404 1.00 0.00 N ATOM 3189 CZ ARG S 97 31.065 -22.735 6.115 1.00 0.00 C ATOM 3190 NH1 ARG S 97 32.282 -23.121 6.388 1.00 0.00 N ATOM 3191 NH2 ARG S 97 30.189 -23.531 5.563 1.00 0.00 N ATOM 0 H ARG S 97 30.299 -17.780 8.024 1.00 0.00 H new ATOM 0 HA ARG S 97 31.266 -17.975 10.617 1.00 0.00 H new ATOM 0 HB2 ARG S 97 32.442 -20.047 8.913 1.00 0.00 H new ATOM 0 HB3 ARG S 97 31.148 -20.201 10.085 1.00 0.00 H new ATOM 0 HG2 ARG S 97 29.538 -19.233 8.367 1.00 0.00 H new ATOM 0 HG3 ARG S 97 30.843 -19.218 7.198 1.00 0.00 H new ATOM 0 HD2 ARG S 97 30.696 -21.838 8.507 1.00 0.00 H new ATOM 0 HD3 ARG S 97 29.135 -21.415 7.831 1.00 0.00 H new ATOM 0 HE ARG S 97 30.784 -20.774 5.702 1.00 0.00 H new ATOM 0 HH11 ARG S 97 32.939 -22.471 6.820 1.00 0.00 H new ATOM 0 HH12 ARG S 97 32.576 -24.073 6.170 1.00 0.00 H new ATOM 0 HH21 ARG S 97 29.247 -23.194 5.365 1.00 0.00 H new ATOM 0 HH22 ARG S 97 30.447 -24.490 5.330 1.00 0.00 H new ATOM 3205 N GLN S 98 33.586 -17.231 8.514 1.00 0.00 N ATOM 3206 CA GLN S 98 35.007 -16.858 8.406 1.00 0.00 C ATOM 3207 C GLN S 98 35.412 -15.994 9.587 1.00 0.00 C ATOM 3208 O GLN S 98 36.287 -16.348 10.352 1.00 0.00 O ATOM 3209 CB GLN S 98 35.166 -16.029 7.136 1.00 0.00 C ATOM 3210 CG GLN S 98 34.930 -16.910 5.914 1.00 0.00 C ATOM 3211 CD GLN S 98 35.517 -16.219 4.680 1.00 0.00 C ATOM 3212 OE1 GLN S 98 36.278 -15.277 4.785 1.00 0.00 O ATOM 3213 NE2 GLN S 98 35.191 -16.650 3.492 1.00 0.00 N ATOM 0 H GLN S 98 33.012 -17.010 7.700 1.00 0.00 H new ATOM 0 HA GLN S 98 35.626 -17.755 8.387 1.00 0.00 H new ATOM 0 HB2 GLN S 98 34.459 -15.200 7.141 1.00 0.00 H new ATOM 0 HB3 GLN S 98 36.165 -15.595 7.096 1.00 0.00 H new ATOM 0 HG2 GLN S 98 35.396 -17.885 6.057 1.00 0.00 H new ATOM 0 HG3 GLN S 98 33.863 -17.084 5.776 1.00 0.00 H new ATOM 0 HE21 GLN S 98 34.553 -17.440 3.393 1.00 0.00 H new ATOM 0 HE22 GLN S 98 35.574 -16.197 2.662 1.00 0.00 H new ATOM 3222 N TRP S 99 34.763 -14.871 9.713 1.00 0.00 N ATOM 3223 CA TRP S 99 35.108 -13.981 10.845 1.00 0.00 C ATOM 3224 C TRP S 99 34.540 -14.490 12.162 1.00 0.00 C ATOM 3225 O TRP S 99 35.248 -14.637 13.137 1.00 0.00 O ATOM 3226 CB TRP S 99 34.524 -12.586 10.641 1.00 0.00 C ATOM 3227 CG TRP S 99 34.954 -11.802 11.850 1.00 0.00 C ATOM 3228 CD1 TRP S 99 36.235 -11.535 12.158 1.00 0.00 C ATOM 3229 CD2 TRP S 99 34.139 -11.196 12.686 1.00 0.00 C ATOM 3230 NE1 TRP S 99 36.137 -10.725 13.196 1.00 0.00 N ATOM 3231 CE2 TRP S 99 34.874 -10.457 13.583 1.00 0.00 C ATOM 3232 CE3 TRP S 99 32.755 -11.169 12.743 1.00 0.00 C ATOM 3233 CZ2 TRP S 99 34.250 -9.689 14.503 1.00 0.00 C ATOM 3234 CZ3 TRP S 99 32.138 -10.379 13.678 1.00 0.00 C ATOM 3235 CH2 TRP S 99 32.902 -9.634 14.547 1.00 0.00 C ATOM 0 H TRP S 99 34.024 -14.539 9.093 1.00 0.00 H new ATOM 0 HA TRP S 99 36.197 -13.957 10.881 1.00 0.00 H new ATOM 0 HB2 TRP S 99 34.898 -12.132 9.723 1.00 0.00 H new ATOM 0 HB3 TRP S 99 33.438 -12.621 10.560 1.00 0.00 H new ATOM 0 HD1 TRP S 99 37.130 -11.896 11.673 1.00 0.00 H new ATOM 0 HE1 TRP S 99 36.952 -10.333 13.668 1.00 0.00 H new ATOM 0 HE3 TRP S 99 32.169 -11.764 12.058 1.00 0.00 H new ATOM 0 HZ2 TRP S 99 34.834 -9.115 15.208 1.00 0.00 H new ATOM 0 HZ3 TRP S 99 31.060 -10.342 13.732 1.00 0.00 H new ATOM 0 HH2 TRP S 99 32.417 -8.998 15.273 1.00 0.00 H new ATOM 3246 N LEU S 100 33.255 -14.687 12.173 1.00 0.00 N ATOM 3247 CA LEU S 100 32.584 -15.184 13.402 1.00 0.00 C ATOM 3248 C LEU S 100 33.452 -16.156 14.208 1.00 0.00 C ATOM 3249 O LEU S 100 33.365 -16.220 15.415 1.00 0.00 O ATOM 3250 CB LEU S 100 31.297 -15.859 12.972 1.00 0.00 C ATOM 3251 CG LEU S 100 30.183 -15.469 13.946 1.00 0.00 C ATOM 3252 CD1 LEU S 100 29.828 -13.984 13.785 1.00 0.00 C ATOM 3253 CD2 LEU S 100 28.947 -16.302 13.641 1.00 0.00 C ATOM 0 H LEU S 100 32.636 -14.524 11.379 1.00 0.00 H new ATOM 0 HA LEU S 100 32.393 -14.340 14.064 1.00 0.00 H new ATOM 0 HB2 LEU S 100 31.034 -15.558 11.958 1.00 0.00 H new ATOM 0 HB3 LEU S 100 31.425 -16.941 12.960 1.00 0.00 H new ATOM 0 HG LEU S 100 30.525 -15.647 14.966 1.00 0.00 H new ATOM 0 HD11 LEU S 100 29.034 -13.722 14.484 1.00 0.00 H new ATOM 0 HD12 LEU S 100 30.708 -13.375 13.990 1.00 0.00 H new ATOM 0 HD13 LEU S 100 29.489 -13.799 12.766 1.00 0.00 H new ATOM 0 HD21 LEU S 100 28.147 -16.032 14.330 1.00 0.00 H new ATOM 0 HD22 LEU S 100 28.624 -16.112 12.617 1.00 0.00 H new ATOM 0 HD23 LEU S 100 29.183 -17.360 13.757 1.00 0.00 H new ATOM 3265 N GLU S 101 34.251 -16.925 13.521 1.00 0.00 N ATOM 3266 CA GLU S 101 35.123 -17.892 14.237 1.00 0.00 C ATOM 3267 C GLU S 101 36.175 -17.157 15.064 1.00 0.00 C ATOM 3268 O GLU S 101 36.519 -17.566 16.154 1.00 0.00 O ATOM 3269 CB GLU S 101 35.836 -18.747 13.182 1.00 0.00 C ATOM 3270 CG GLU S 101 35.218 -20.147 13.159 1.00 0.00 C ATOM 3271 CD GLU S 101 35.759 -20.917 11.949 1.00 0.00 C ATOM 3272 OE1 GLU S 101 36.636 -20.366 11.305 1.00 0.00 O ATOM 3273 OE2 GLU S 101 35.264 -22.011 11.740 1.00 0.00 O ATOM 0 H GLU S 101 34.336 -16.925 12.505 1.00 0.00 H new ATOM 0 HA GLU S 101 34.519 -18.504 14.906 1.00 0.00 H new ATOM 0 HB2 GLU S 101 35.747 -18.282 12.200 1.00 0.00 H new ATOM 0 HB3 GLU S 101 36.900 -18.811 13.409 1.00 0.00 H new ATOM 0 HG2 GLU S 101 35.458 -20.678 14.080 1.00 0.00 H new ATOM 0 HG3 GLU S 101 34.132 -20.077 13.105 1.00 0.00 H new ATOM 3280 N GLU S 102 36.658 -16.083 14.516 1.00 0.00 N ATOM 3281 CA GLU S 102 37.690 -15.280 15.221 1.00 0.00 C ATOM 3282 C GLU S 102 37.121 -14.454 16.381 1.00 0.00 C ATOM 3283 O GLU S 102 37.817 -14.193 17.341 1.00 0.00 O ATOM 3284 CB GLU S 102 38.301 -14.307 14.202 1.00 0.00 C ATOM 3285 CG GLU S 102 38.838 -15.085 12.994 1.00 0.00 C ATOM 3286 CD GLU S 102 40.167 -15.745 13.366 1.00 0.00 C ATOM 3287 OE1 GLU S 102 40.517 -15.639 14.528 1.00 0.00 O ATOM 3288 OE2 GLU S 102 40.756 -16.319 12.465 1.00 0.00 O ATOM 0 H GLU S 102 36.381 -15.723 13.603 1.00 0.00 H new ATOM 0 HA GLU S 102 38.421 -15.972 15.639 1.00 0.00 H new ATOM 0 HB2 GLU S 102 37.549 -13.588 13.877 1.00 0.00 H new ATOM 0 HB3 GLU S 102 39.107 -13.739 14.667 1.00 0.00 H new ATOM 0 HG2 GLU S 102 38.117 -15.842 12.685 1.00 0.00 H new ATOM 0 HG3 GLU S 102 38.977 -14.413 12.147 1.00 0.00 H new ATOM 3295 N VAL S 103 35.877 -14.050 16.290 1.00 0.00 N ATOM 3296 CA VAL S 103 35.311 -13.239 17.414 1.00 0.00 C ATOM 3297 C VAL S 103 34.730 -14.092 18.546 1.00 0.00 C ATOM 3298 O VAL S 103 34.847 -13.728 19.700 1.00 0.00 O ATOM 3299 CB VAL S 103 34.206 -12.321 16.869 1.00 0.00 C ATOM 3300 CG1 VAL S 103 32.946 -13.135 16.583 1.00 0.00 C ATOM 3301 CG2 VAL S 103 33.879 -11.261 17.923 1.00 0.00 C ATOM 0 H VAL S 103 35.245 -14.239 15.512 1.00 0.00 H new ATOM 0 HA VAL S 103 36.137 -12.665 17.834 1.00 0.00 H new ATOM 0 HB VAL S 103 34.550 -11.850 15.948 1.00 0.00 H new ATOM 0 HG11 VAL S 103 32.168 -12.477 16.197 1.00 0.00 H new ATOM 0 HG12 VAL S 103 33.170 -13.905 15.844 1.00 0.00 H new ATOM 0 HG13 VAL S 103 32.600 -13.605 17.503 1.00 0.00 H new ATOM 0 HG21 VAL S 103 33.095 -10.603 17.547 1.00 0.00 H new ATOM 0 HG22 VAL S 103 33.536 -11.749 18.835 1.00 0.00 H new ATOM 0 HG23 VAL S 103 34.772 -10.675 18.139 1.00 0.00 H new ATOM 3311 N LEU S 104 34.127 -15.203 18.217 1.00 0.00 N ATOM 3312 CA LEU S 104 33.546 -16.058 19.295 1.00 0.00 C ATOM 3313 C LEU S 104 34.491 -17.189 19.707 1.00 0.00 C ATOM 3314 O LEU S 104 34.832 -17.316 20.866 1.00 0.00 O ATOM 3315 CB LEU S 104 32.239 -16.670 18.778 1.00 0.00 C ATOM 3316 CG LEU S 104 31.083 -15.720 19.111 1.00 0.00 C ATOM 3317 CD1 LEU S 104 29.931 -15.969 18.138 1.00 0.00 C ATOM 3318 CD2 LEU S 104 30.599 -15.981 20.539 1.00 0.00 C ATOM 0 H LEU S 104 34.012 -15.552 17.266 1.00 0.00 H new ATOM 0 HA LEU S 104 33.375 -15.431 20.170 1.00 0.00 H new ATOM 0 HB2 LEU S 104 32.297 -16.831 17.701 1.00 0.00 H new ATOM 0 HB3 LEU S 104 32.071 -17.644 19.237 1.00 0.00 H new ATOM 0 HG LEU S 104 31.425 -14.689 19.025 1.00 0.00 H new ATOM 0 HD11 LEU S 104 29.106 -15.296 18.371 1.00 0.00 H new ATOM 0 HD12 LEU S 104 30.271 -15.788 17.118 1.00 0.00 H new ATOM 0 HD13 LEU S 104 29.594 -17.001 18.230 1.00 0.00 H new ATOM 0 HD21 LEU S 104 29.777 -15.305 20.774 1.00 0.00 H new ATOM 0 HD22 LEU S 104 30.256 -17.012 20.624 1.00 0.00 H new ATOM 0 HD23 LEU S 104 31.419 -15.812 21.238 1.00 0.00 H new ATOM 3330 N LEU S 105 34.898 -17.989 18.760 1.00 0.00 N ATOM 3331 CA LEU S 105 35.816 -19.105 19.108 1.00 0.00 C ATOM 3332 C LEU S 105 37.017 -18.600 19.903 1.00 0.00 C ATOM 3333 O LEU S 105 37.342 -19.135 20.945 1.00 0.00 O ATOM 3334 CB LEU S 105 36.321 -19.747 17.809 1.00 0.00 C ATOM 3335 CG LEU S 105 36.482 -21.256 18.017 1.00 0.00 C ATOM 3336 CD1 LEU S 105 35.146 -21.955 17.755 1.00 0.00 C ATOM 3337 CD2 LEU S 105 37.523 -21.788 17.030 1.00 0.00 C ATOM 0 H LEU S 105 34.639 -17.919 17.776 1.00 0.00 H new ATOM 0 HA LEU S 105 35.273 -19.827 19.718 1.00 0.00 H new ATOM 0 HB2 LEU S 105 35.619 -19.553 16.998 1.00 0.00 H new ATOM 0 HB3 LEU S 105 37.274 -19.305 17.518 1.00 0.00 H new ATOM 0 HG LEU S 105 36.802 -21.450 19.041 1.00 0.00 H new ATOM 0 HD11 LEU S 105 35.262 -23.029 17.903 1.00 0.00 H new ATOM 0 HD12 LEU S 105 34.394 -21.572 18.445 1.00 0.00 H new ATOM 0 HD13 LEU S 105 34.829 -21.762 16.730 1.00 0.00 H new ATOM 0 HD21 LEU S 105 37.643 -22.862 17.172 1.00 0.00 H new ATOM 0 HD22 LEU S 105 37.191 -21.592 16.010 1.00 0.00 H new ATOM 0 HD23 LEU S 105 38.477 -21.290 17.204 1.00 0.00 H new