USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 502 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0226 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 48 ASN :FLIP amide:sc= -3.05! C(o=-4.4!,f=-3.1!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -3.64! USER MOD Single : A 55 GLN :FLIP amide:sc= -4.68! F(o=-5.4,f=-4.7!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 150:sc= -1.44 USER MOD Single : A 75 SER OG : rot 134:sc= -2.09! USER MOD Single : A 92 SER OG : rot 110:sc= -4.11! USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 5.845 -9.612 -17.388 1.00 0.00 N ATOM 146 CA CYS A 10 6.646 -9.861 -18.585 1.00 0.00 C ATOM 147 C CYS A 10 8.032 -9.212 -18.478 1.00 0.00 C ATOM 148 O CYS A 10 8.964 -9.810 -17.939 1.00 0.00 O ATOM 149 CB CYS A 10 5.897 -9.358 -19.829 1.00 0.00 C ATOM 150 SG CYS A 10 6.284 -10.269 -21.365 1.00 0.00 S ATOM 0 HA CYS A 10 6.800 -10.936 -18.677 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.825 -9.423 -19.643 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.132 -8.304 -19.978 1.00 0.00 H new ATOM 155 N LEU A 11 8.168 -7.986 -18.985 1.00 0.00 N ATOM 156 CA LEU A 11 9.444 -7.269 -18.937 1.00 0.00 C ATOM 157 C LEU A 11 9.334 -6.032 -18.044 1.00 0.00 C ATOM 158 O LEU A 11 8.625 -5.080 -18.379 1.00 0.00 O ATOM 159 CB LEU A 11 9.876 -6.858 -20.348 1.00 0.00 C ATOM 160 CG LEU A 11 11.363 -7.045 -20.649 1.00 0.00 C ATOM 161 CD1 LEU A 11 11.704 -8.523 -20.765 1.00 0.00 C ATOM 162 CD2 LEU A 11 11.744 -6.307 -21.924 1.00 0.00 C ATOM 0 H LEU A 11 7.412 -7.469 -19.433 1.00 0.00 H new ATOM 0 HA LEU A 11 10.196 -7.937 -18.516 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.299 -7.435 -21.071 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.619 -5.810 -20.499 1.00 0.00 H new ATOM 0 HG LEU A 11 11.937 -6.625 -19.823 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.767 -8.635 -20.979 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.468 -9.026 -19.827 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.122 -8.968 -21.572 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.806 -6.450 -22.124 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.162 -6.698 -22.758 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.538 -5.243 -21.804 1.00 0.00 H new ATOM 174 N PRO A 12 10.018 -6.025 -16.880 1.00 0.00 N ATOM 175 CA PRO A 12 9.956 -4.899 -15.951 1.00 0.00 C ATOM 176 C PRO A 12 10.151 -3.531 -16.602 1.00 0.00 C ATOM 177 O PRO A 12 10.511 -3.408 -17.778 1.00 0.00 O ATOM 178 CB PRO A 12 11.096 -5.154 -14.970 1.00 0.00 C ATOM 179 CG PRO A 12 11.400 -6.606 -15.047 1.00 0.00 C ATOM 180 CD PRO A 12 10.877 -7.116 -16.371 1.00 0.00 C ATOM 0 HA PRO A 12 8.965 -4.853 -15.499 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.972 -4.560 -15.230 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.808 -4.871 -13.958 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.474 -6.777 -14.969 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.931 -7.139 -14.220 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.692 -7.333 -17.061 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.311 -8.039 -16.244 1.00 0.00 H new ATOM 188 N CYS A 13 9.892 -2.508 -15.792 1.00 0.00 N ATOM 189 CA CYS A 13 9.995 -1.133 -16.193 1.00 0.00 C ATOM 190 C CYS A 13 10.375 -0.274 -14.991 1.00 0.00 C ATOM 191 O CYS A 13 10.855 -0.783 -13.975 1.00 0.00 O ATOM 192 CB CYS A 13 8.661 -0.679 -16.811 1.00 0.00 C ATOM 193 SG CYS A 13 8.691 0.949 -17.626 1.00 0.00 S ATOM 0 H CYS A 13 9.600 -2.628 -14.822 1.00 0.00 H new ATOM 0 HA CYS A 13 10.775 -1.021 -16.946 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.345 -1.425 -17.540 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.905 -0.660 -16.026 1.00 0.00 H new ATOM 198 N GLY A 14 10.114 1.011 -15.101 1.00 0.00 N ATOM 199 CA GLY A 14 10.400 1.924 -14.019 1.00 0.00 C ATOM 200 C GLY A 14 11.836 1.826 -13.540 1.00 0.00 C ATOM 201 O GLY A 14 12.753 1.614 -14.332 1.00 0.00 O ATOM 0 H GLY A 14 9.705 1.445 -15.928 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.198 2.944 -14.346 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.728 1.717 -13.186 1.00 0.00 H new ATOM 205 N PRO A 15 12.049 2.010 -12.242 1.00 0.00 N ATOM 206 CA PRO A 15 13.369 1.973 -11.626 1.00 0.00 C ATOM 207 C PRO A 15 13.811 0.548 -11.272 1.00 0.00 C ATOM 208 O PRO A 15 13.735 0.130 -10.114 1.00 0.00 O ATOM 209 CB PRO A 15 13.127 2.818 -10.378 1.00 0.00 C ATOM 210 CG PRO A 15 11.767 2.417 -9.969 1.00 0.00 C ATOM 211 CD PRO A 15 11.004 2.316 -11.260 1.00 0.00 C ATOM 0 HA PRO A 15 14.170 2.334 -12.271 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.861 2.609 -9.600 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.186 3.885 -10.594 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.776 1.466 -9.437 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.320 3.152 -9.300 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.247 1.533 -11.220 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.488 3.247 -11.497 1.00 0.00 H new ATOM 219 N GLY A 16 14.273 -0.194 -12.281 1.00 0.00 N ATOM 220 CA GLY A 16 14.725 -1.567 -12.072 1.00 0.00 C ATOM 221 C GLY A 16 13.726 -2.585 -12.597 1.00 0.00 C ATOM 222 O GLY A 16 14.018 -3.347 -13.518 1.00 0.00 O ATOM 0 H GLY A 16 14.343 0.132 -13.245 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.684 -1.712 -12.569 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.889 -1.736 -11.008 1.00 0.00 H new ATOM 226 N GLY A 17 12.537 -2.567 -12.010 1.00 0.00 N ATOM 227 CA GLY A 17 11.469 -3.452 -12.409 1.00 0.00 C ATOM 228 C GLY A 17 10.233 -3.222 -11.592 1.00 0.00 C ATOM 229 O GLY A 17 9.471 -4.141 -11.271 1.00 0.00 O ATOM 0 H GLY A 17 12.293 -1.937 -11.246 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.243 -3.299 -13.464 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.792 -4.487 -12.299 1.00 0.00 H new ATOM 233 N LYS A 18 10.050 -1.961 -11.287 1.00 0.00 N ATOM 234 CA LYS A 18 8.929 -1.467 -10.522 1.00 0.00 C ATOM 235 C LYS A 18 7.642 -1.610 -11.300 1.00 0.00 C ATOM 236 O LYS A 18 6.548 -1.703 -10.739 1.00 0.00 O ATOM 237 CB LYS A 18 9.159 0.004 -10.292 1.00 0.00 C ATOM 238 CG LYS A 18 9.652 0.367 -8.933 1.00 0.00 C ATOM 239 CD LYS A 18 10.556 -0.706 -8.382 1.00 0.00 C ATOM 240 CE LYS A 18 11.099 -0.348 -7.007 1.00 0.00 C ATOM 241 NZ LYS A 18 10.290 -0.956 -5.913 1.00 0.00 N ATOM 0 H LYS A 18 10.697 -1.226 -11.573 1.00 0.00 H new ATOM 0 HA LYS A 18 8.849 -2.030 -9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.878 0.362 -11.029 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.224 0.534 -10.475 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.191 1.313 -8.978 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.805 0.514 -8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.007 -1.646 -8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.387 -0.867 -9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.132 -0.686 -6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.109 0.736 -6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.693 -0.688 -4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.310 -0.614 -5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.301 -1.992 -6.007 1.00 0.00 H new ATOM 255 N GLY A 19 7.816 -1.670 -12.595 1.00 0.00 N ATOM 256 CA GLY A 19 6.752 -1.847 -13.516 1.00 0.00 C ATOM 257 C GLY A 19 7.190 -2.688 -14.687 1.00 0.00 C ATOM 258 O GLY A 19 8.043 -3.557 -14.564 1.00 0.00 O ATOM 0 H GLY A 19 8.732 -1.594 -13.038 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.908 -2.323 -13.016 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.406 -0.876 -13.870 1.00 0.00 H new ATOM 262 N ARG A 20 6.579 -2.400 -15.814 1.00 0.00 N ATOM 263 CA ARG A 20 6.855 -3.085 -17.055 1.00 0.00 C ATOM 264 C ARG A 20 6.240 -2.321 -18.230 1.00 0.00 C ATOM 265 O ARG A 20 5.607 -1.290 -18.033 1.00 0.00 O ATOM 266 CB ARG A 20 6.330 -4.511 -16.972 1.00 0.00 C ATOM 267 CG ARG A 20 4.839 -4.595 -17.078 1.00 0.00 C ATOM 268 CD ARG A 20 4.436 -5.408 -18.284 1.00 0.00 C ATOM 269 NE ARG A 20 3.630 -6.575 -17.935 1.00 0.00 N ATOM 270 CZ ARG A 20 2.565 -6.971 -18.630 1.00 0.00 C ATOM 271 NH1 ARG A 20 2.172 -6.300 -19.705 1.00 0.00 N ATOM 272 NH2 ARG A 20 1.891 -8.041 -18.249 1.00 0.00 N ATOM 0 H ARG A 20 5.867 -1.674 -15.895 1.00 0.00 H new ATOM 0 HA ARG A 20 7.931 -3.127 -17.223 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.779 -5.104 -17.769 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.647 -4.954 -16.028 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.430 -5.048 -16.175 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.417 -3.593 -17.151 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.874 -4.776 -18.971 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.332 -5.735 -18.812 1.00 0.00 H new ATOM 0 HE ARG A 20 3.898 -7.117 -17.113 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.687 -5.473 -20.006 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.355 -6.612 -20.230 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.186 -8.563 -17.424 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.075 -8.346 -18.780 1.00 0.00 H new ATOM 286 N CYS A 21 6.385 -2.864 -19.430 1.00 0.00 N ATOM 287 CA CYS A 21 5.808 -2.272 -20.633 1.00 0.00 C ATOM 288 C CYS A 21 4.577 -3.057 -21.040 1.00 0.00 C ATOM 289 O CYS A 21 4.639 -4.280 -21.103 1.00 0.00 O ATOM 290 CB CYS A 21 6.824 -2.327 -21.761 1.00 0.00 C ATOM 291 SG CYS A 21 7.640 -0.737 -22.135 1.00 0.00 S ATOM 0 H CYS A 21 6.904 -3.725 -19.599 1.00 0.00 H new ATOM 0 HA CYS A 21 5.536 -1.236 -20.431 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.589 -3.061 -21.507 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.326 -2.685 -22.662 1.00 0.00 H new ATOM 296 N PHE A 22 3.450 -2.398 -21.270 1.00 0.00 N ATOM 297 CA PHE A 22 2.228 -3.119 -21.601 1.00 0.00 C ATOM 298 C PHE A 22 1.934 -3.160 -23.106 1.00 0.00 C ATOM 299 O PHE A 22 0.975 -3.799 -23.530 1.00 0.00 O ATOM 300 CB PHE A 22 1.061 -2.483 -20.855 1.00 0.00 C ATOM 301 CG PHE A 22 1.064 -2.783 -19.389 1.00 0.00 C ATOM 302 CD1 PHE A 22 2.255 -2.836 -18.673 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.125 -3.013 -18.713 1.00 0.00 C ATOM 304 CE1 PHE A 22 2.248 -3.115 -17.317 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.129 -3.292 -17.356 1.00 0.00 C ATOM 306 CZ PHE A 22 1.058 -3.345 -16.661 1.00 0.00 C ATOM 0 H PHE A 22 3.355 -1.383 -21.235 1.00 0.00 H new ATOM 0 HA PHE A 22 2.367 -4.155 -21.292 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.092 -1.403 -20.998 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.125 -2.835 -21.289 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.193 -2.658 -19.179 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.060 -2.974 -19.252 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.179 -3.153 -16.771 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.063 -3.468 -16.844 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.057 -3.566 -15.604 1.00 0.00 H new ATOM 316 N GLY A 23 2.771 -2.502 -23.916 1.00 0.00 N ATOM 317 CA GLY A 23 2.543 -2.551 -25.351 1.00 0.00 C ATOM 318 C GLY A 23 3.016 -1.355 -26.161 1.00 0.00 C ATOM 319 O GLY A 23 4.053 -1.443 -26.823 1.00 0.00 O ATOM 0 H GLY A 23 3.576 -1.954 -23.614 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.034 -3.442 -25.743 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.474 -2.675 -25.521 1.00 0.00 H new ATOM 323 N PRO A 24 2.248 -0.248 -26.207 1.00 0.00 N ATOM 324 CA PRO A 24 2.598 0.899 -27.032 1.00 0.00 C ATOM 325 C PRO A 24 3.271 2.016 -26.263 1.00 0.00 C ATOM 326 O PRO A 24 2.602 2.904 -25.737 1.00 0.00 O ATOM 327 CB PRO A 24 1.221 1.330 -27.519 1.00 0.00 C ATOM 328 CG PRO A 24 0.317 1.062 -26.364 1.00 0.00 C ATOM 329 CD PRO A 24 0.954 -0.034 -25.535 1.00 0.00 C ATOM 0 HA PRO A 24 3.321 0.659 -27.812 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.210 2.384 -27.796 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.917 0.766 -28.401 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.179 1.964 -25.767 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.670 0.756 -26.712 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.084 0.269 -24.496 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.348 -0.940 -25.529 1.00 0.00 H new ATOM 337 N SER A 25 4.597 1.971 -26.188 1.00 0.00 N ATOM 338 CA SER A 25 5.339 2.996 -25.462 1.00 0.00 C ATOM 339 C SER A 25 4.835 3.097 -24.034 1.00 0.00 C ATOM 340 O SER A 25 5.077 4.096 -23.352 1.00 0.00 O ATOM 341 CB SER A 25 5.147 4.358 -26.135 1.00 0.00 C ATOM 342 OG SER A 25 6.292 5.179 -25.975 1.00 0.00 O ATOM 0 H SER A 25 5.174 1.246 -26.615 1.00 0.00 H new ATOM 0 HA SER A 25 6.393 2.719 -25.466 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.945 4.216 -27.197 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.277 4.857 -25.709 1.00 0.00 H new ATOM 0 HG SER A 25 6.141 6.041 -26.416 1.00 0.00 H new ATOM 348 N ILE A 26 4.091 2.092 -23.596 1.00 0.00 N ATOM 349 CA ILE A 26 3.504 2.125 -22.280 1.00 0.00 C ATOM 350 C ILE A 26 4.276 1.331 -21.254 1.00 0.00 C ATOM 351 O ILE A 26 5.066 0.443 -21.572 1.00 0.00 O ATOM 352 CB ILE A 26 2.051 1.627 -22.321 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.211 2.428 -21.362 1.00 0.00 C ATOM 354 CG2 ILE A 26 1.933 0.154 -21.981 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.251 2.416 -21.752 1.00 0.00 C ATOM 0 H ILE A 26 3.885 1.251 -24.135 1.00 0.00 H new ATOM 0 HA ILE A 26 3.536 3.169 -21.969 1.00 0.00 H new ATOM 0 HB ILE A 26 1.694 1.760 -23.342 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.322 2.024 -20.356 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.572 3.456 -21.334 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.886 -0.147 -22.024 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.509 -0.432 -22.697 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.319 -0.020 -20.977 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.824 3.005 -21.035 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.365 2.845 -22.748 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.619 1.390 -21.754 1.00 0.00 H new ATOM 367 N CYS A 27 4.024 1.694 -20.016 1.00 0.00 N ATOM 368 CA CYS A 27 4.648 1.094 -18.891 1.00 0.00 C ATOM 369 C CYS A 27 3.747 1.236 -17.668 1.00 0.00 C ATOM 370 O CYS A 27 3.042 2.231 -17.515 1.00 0.00 O ATOM 371 CB CYS A 27 5.973 1.771 -18.671 1.00 0.00 C ATOM 372 SG CYS A 27 7.397 0.750 -19.163 1.00 0.00 S ATOM 0 H CYS A 27 3.363 2.432 -19.774 1.00 0.00 H new ATOM 0 HA CYS A 27 4.812 0.030 -19.062 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.993 2.705 -19.233 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.069 2.031 -17.617 1.00 0.00 H new ATOM 377 N CYS A 28 3.771 0.236 -16.811 1.00 0.00 N ATOM 378 CA CYS A 28 2.964 0.230 -15.614 1.00 0.00 C ATOM 379 C CYS A 28 3.729 -0.439 -14.493 1.00 0.00 C ATOM 380 O CYS A 28 4.176 -1.579 -14.633 1.00 0.00 O ATOM 381 CB CYS A 28 1.652 -0.503 -15.883 1.00 0.00 C ATOM 382 SG CYS A 28 0.204 0.201 -15.044 1.00 0.00 S ATOM 0 H CYS A 28 4.352 -0.595 -16.927 1.00 0.00 H new ATOM 0 HA CYS A 28 2.735 1.254 -15.319 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.467 -0.506 -16.957 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.763 -1.543 -15.576 1.00 0.00 H new ATOM 387 N GLY A 29 3.874 0.258 -13.382 1.00 0.00 N ATOM 388 CA GLY A 29 4.568 -0.292 -12.269 1.00 0.00 C ATOM 389 C GLY A 29 3.640 -0.520 -11.092 1.00 0.00 C ATOM 390 O GLY A 29 2.515 -0.024 -11.094 1.00 0.00 O ATOM 0 H GLY A 29 3.516 1.203 -13.241 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.030 -1.236 -12.558 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.374 0.380 -11.973 1.00 0.00 H new ATOM 394 N ASP A 30 4.084 -1.263 -10.081 1.00 0.00 N ATOM 395 CA ASP A 30 3.240 -1.516 -8.923 1.00 0.00 C ATOM 396 C ASP A 30 3.141 -0.239 -8.101 1.00 0.00 C ATOM 397 O ASP A 30 2.198 0.533 -8.252 1.00 0.00 O ATOM 398 CB ASP A 30 3.809 -2.663 -8.084 1.00 0.00 C ATOM 399 CG ASP A 30 2.758 -3.693 -7.717 1.00 0.00 C ATOM 400 OD1 ASP A 30 1.609 -3.297 -7.432 1.00 0.00 O ATOM 401 OD2 ASP A 30 3.087 -4.899 -7.715 1.00 0.00 O ATOM 0 H ASP A 30 5.008 -1.693 -10.042 1.00 0.00 H new ATOM 0 HA ASP A 30 2.244 -1.812 -9.251 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.612 -3.150 -8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.250 -2.258 -7.173 1.00 0.00 H new ATOM 406 N GLU A 31 4.157 0.019 -7.289 1.00 0.00 N ATOM 407 CA GLU A 31 4.221 1.243 -6.515 1.00 0.00 C ATOM 408 C GLU A 31 4.514 2.403 -7.461 1.00 0.00 C ATOM 409 O GLU A 31 4.686 3.555 -7.055 1.00 0.00 O ATOM 410 CB GLU A 31 5.354 1.131 -5.493 1.00 0.00 C ATOM 411 CG GLU A 31 6.728 0.946 -6.134 1.00 0.00 C ATOM 412 CD GLU A 31 7.734 1.975 -5.660 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.810 2.209 -4.434 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.447 2.547 -6.509 1.00 0.00 O ATOM 0 H GLU A 31 4.949 -0.608 -7.152 1.00 0.00 H new ATOM 0 HA GLU A 31 3.276 1.410 -5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.367 2.029 -4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.154 0.290 -4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.100 -0.053 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.631 1.010 -7.218 1.00 0.00 H new ATOM 421 N LEU A 32 4.661 2.038 -8.724 1.00 0.00 N ATOM 422 CA LEU A 32 5.040 2.924 -9.792 1.00 0.00 C ATOM 423 C LEU A 32 3.860 3.526 -10.537 1.00 0.00 C ATOM 424 O LEU A 32 3.992 4.549 -11.211 1.00 0.00 O ATOM 425 CB LEU A 32 5.827 2.035 -10.711 1.00 0.00 C ATOM 426 CG LEU A 32 7.205 2.455 -11.115 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.545 1.721 -12.385 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.340 3.954 -11.286 1.00 0.00 C ATOM 0 H LEU A 32 4.512 1.079 -9.036 1.00 0.00 H new ATOM 0 HA LEU A 32 5.587 3.786 -9.410 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.906 1.057 -10.236 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.243 1.901 -11.621 1.00 0.00 H new ATOM 0 HG LEU A 32 7.906 2.199 -10.321 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.546 2.003 -12.711 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.511 0.647 -12.204 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.824 1.982 -13.160 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.361 4.196 -11.579 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.650 4.296 -12.058 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.106 4.450 -10.344 1.00 0.00 H new ATOM 440 N GLY A 33 2.721 2.885 -10.419 1.00 0.00 N ATOM 441 CA GLY A 33 1.544 3.360 -11.097 1.00 0.00 C ATOM 442 C GLY A 33 1.613 3.062 -12.570 1.00 0.00 C ATOM 443 O GLY A 33 2.390 2.210 -12.995 1.00 0.00 O ATOM 0 H GLY A 33 2.587 2.040 -9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.659 2.890 -10.668 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.441 4.434 -10.944 1.00 0.00 H new ATOM 447 N CYS A 34 0.822 3.758 -13.365 1.00 0.00 N ATOM 448 CA CYS A 34 0.843 3.526 -14.803 1.00 0.00 C ATOM 449 C CYS A 34 1.351 4.737 -15.577 1.00 0.00 C ATOM 450 O CYS A 34 1.000 5.879 -15.280 1.00 0.00 O ATOM 451 CB CYS A 34 -0.533 3.117 -15.306 1.00 0.00 C ATOM 452 SG CYS A 34 -0.500 1.609 -16.325 1.00 0.00 S ATOM 0 H CYS A 34 0.168 4.475 -13.051 1.00 0.00 H new ATOM 0 HA CYS A 34 1.542 2.709 -14.980 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.193 2.958 -14.453 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.958 3.934 -15.890 1.00 0.00 H new ATOM 457 N PHE A 35 2.148 4.458 -16.605 1.00 0.00 N ATOM 458 CA PHE A 35 2.687 5.498 -17.481 1.00 0.00 C ATOM 459 C PHE A 35 2.485 5.121 -18.938 1.00 0.00 C ATOM 460 O PHE A 35 2.434 3.939 -19.281 1.00 0.00 O ATOM 461 CB PHE A 35 4.186 5.715 -17.266 1.00 0.00 C ATOM 462 CG PHE A 35 4.664 5.578 -15.855 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.632 4.353 -15.214 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.168 6.675 -15.177 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.090 4.225 -13.922 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.630 6.552 -13.885 1.00 0.00 C ATOM 467 CZ PHE A 35 5.590 5.329 -13.261 1.00 0.00 C ATOM 0 H PHE A 35 2.438 3.512 -16.854 1.00 0.00 H new ATOM 0 HA PHE A 35 2.151 6.414 -17.234 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.730 5.003 -17.886 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.445 6.712 -17.623 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.244 3.488 -15.732 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.199 7.637 -15.666 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.058 3.265 -13.428 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.022 7.414 -13.365 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.952 5.231 -12.248 1.00 0.00 H new ATOM 477 N VAL A 36 2.432 6.125 -19.795 1.00 0.00 N ATOM 478 CA VAL A 36 2.306 5.890 -21.220 1.00 0.00 C ATOM 479 C VAL A 36 3.172 6.867 -21.978 1.00 0.00 C ATOM 480 O VAL A 36 2.946 8.079 -21.957 1.00 0.00 O ATOM 481 CB VAL A 36 0.865 5.981 -21.741 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.767 5.321 -23.115 1.00 0.00 C ATOM 483 CG2 VAL A 36 -0.107 5.350 -20.759 1.00 0.00 C ATOM 0 H VAL A 36 2.474 7.109 -19.529 1.00 0.00 H new ATOM 0 HA VAL A 36 2.635 4.864 -21.387 1.00 0.00 H new ATOM 0 HB VAL A 36 0.593 7.032 -21.841 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.258 5.389 -23.479 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.434 5.830 -23.811 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.055 4.273 -23.037 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.121 5.427 -21.151 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.149 4.300 -20.618 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.047 5.870 -19.803 1.00 0.00 H new ATOM 493 N GLY A 37 4.181 6.326 -22.630 1.00 0.00 N ATOM 494 CA GLY A 37 5.110 7.150 -23.380 1.00 0.00 C ATOM 495 C GLY A 37 5.841 8.146 -22.494 1.00 0.00 C ATOM 496 O GLY A 37 6.525 9.045 -22.989 1.00 0.00 O ATOM 0 H GLY A 37 4.379 5.326 -22.657 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.837 6.511 -23.881 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.569 7.688 -24.158 1.00 0.00 H new ATOM 500 N THR A 38 5.691 7.992 -21.179 1.00 0.00 N ATOM 501 CA THR A 38 6.331 8.883 -20.214 1.00 0.00 C ATOM 502 C THR A 38 7.772 8.450 -19.948 1.00 0.00 C ATOM 503 O THR A 38 8.235 7.443 -20.481 1.00 0.00 O ATOM 504 CB THR A 38 5.539 8.888 -18.904 1.00 0.00 C ATOM 505 OG1 THR A 38 4.159 9.077 -19.154 1.00 0.00 O ATOM 506 CG2 THR A 38 5.974 9.961 -17.929 1.00 0.00 C ATOM 0 H THR A 38 5.128 7.254 -20.756 1.00 0.00 H new ATOM 0 HA THR A 38 6.345 9.890 -20.632 1.00 0.00 H new ATOM 0 HB THR A 38 5.737 7.915 -18.454 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.670 9.076 -18.305 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.366 9.900 -17.026 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.023 9.815 -17.671 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.846 10.942 -18.387 1.00 0.00 H new ATOM 514 N ALA A 39 8.470 9.202 -19.099 1.00 0.00 N ATOM 515 CA ALA A 39 9.848 8.890 -18.743 1.00 0.00 C ATOM 516 C ALA A 39 9.956 7.503 -18.127 1.00 0.00 C ATOM 517 O ALA A 39 10.740 6.676 -18.577 1.00 0.00 O ATOM 518 CB ALA A 39 10.400 9.939 -17.792 1.00 0.00 C ATOM 0 H ALA A 39 8.099 10.036 -18.644 1.00 0.00 H new ATOM 0 HA ALA A 39 10.442 8.898 -19.657 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.430 9.692 -17.536 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.370 10.917 -18.272 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.796 9.962 -16.885 1.00 0.00 H new ATOM 524 N GLU A 40 9.158 7.252 -17.102 1.00 0.00 N ATOM 525 CA GLU A 40 9.147 5.957 -16.430 1.00 0.00 C ATOM 526 C GLU A 40 8.614 4.847 -17.348 1.00 0.00 C ATOM 527 O GLU A 40 8.321 3.746 -16.884 1.00 0.00 O ATOM 528 CB GLU A 40 8.297 6.039 -15.165 1.00 0.00 C ATOM 529 CG GLU A 40 9.117 6.056 -13.886 1.00 0.00 C ATOM 530 CD GLU A 40 9.561 7.452 -13.495 1.00 0.00 C ATOM 531 OE1 GLU A 40 9.989 8.209 -14.390 1.00 0.00 O ATOM 532 OE2 GLU A 40 9.484 7.785 -12.294 1.00 0.00 O ATOM 0 H GLU A 40 8.504 7.931 -16.713 1.00 0.00 H new ATOM 0 HA GLU A 40 10.175 5.706 -16.167 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.684 6.939 -15.206 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.615 5.189 -15.139 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.528 5.626 -13.076 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.995 5.422 -14.013 1.00 0.00 H new ATOM 539 N ALA A 41 8.431 5.160 -18.637 1.00 0.00 N ATOM 540 CA ALA A 41 7.874 4.204 -19.591 1.00 0.00 C ATOM 541 C ALA A 41 8.743 3.998 -20.829 1.00 0.00 C ATOM 542 O ALA A 41 8.447 3.149 -21.671 1.00 0.00 O ATOM 543 CB ALA A 41 6.530 4.706 -20.038 1.00 0.00 C ATOM 0 H ALA A 41 8.662 6.069 -19.039 1.00 0.00 H new ATOM 0 HA ALA A 41 7.811 3.244 -19.079 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.098 4.004 -20.752 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.870 4.798 -19.175 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.645 5.681 -20.512 1.00 0.00 H new ATOM 549 N LEU A 42 9.831 4.731 -20.912 1.00 0.00 N ATOM 550 CA LEU A 42 10.757 4.597 -22.013 1.00 0.00 C ATOM 551 C LEU A 42 11.386 3.205 -22.032 1.00 0.00 C ATOM 552 O LEU A 42 11.984 2.800 -23.022 1.00 0.00 O ATOM 553 CB LEU A 42 11.850 5.661 -21.898 1.00 0.00 C ATOM 554 CG LEU A 42 12.477 5.860 -20.502 1.00 0.00 C ATOM 555 CD1 LEU A 42 12.169 4.703 -19.554 1.00 0.00 C ATOM 556 CD2 LEU A 42 13.982 6.056 -20.622 1.00 0.00 C ATOM 0 H LEU A 42 10.097 5.433 -20.222 1.00 0.00 H new ATOM 0 HA LEU A 42 10.209 4.736 -22.945 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.647 5.407 -22.596 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.433 6.614 -22.223 1.00 0.00 H new ATOM 0 HG LEU A 42 12.027 6.756 -20.073 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.633 4.892 -18.586 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.090 4.613 -19.428 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.564 3.776 -19.971 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.411 6.195 -19.630 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.427 5.178 -21.090 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.187 6.935 -21.232 1.00 0.00 H new ATOM 568 N ARG A 43 11.236 2.485 -20.919 1.00 0.00 N ATOM 569 CA ARG A 43 11.780 1.144 -20.750 1.00 0.00 C ATOM 570 C ARG A 43 11.475 0.212 -21.911 1.00 0.00 C ATOM 571 O ARG A 43 12.052 -0.868 -22.006 1.00 0.00 O ATOM 572 CB ARG A 43 11.216 0.530 -19.492 1.00 0.00 C ATOM 573 CG ARG A 43 12.274 0.072 -18.504 1.00 0.00 C ATOM 574 CD ARG A 43 13.211 1.203 -18.122 1.00 0.00 C ATOM 575 NE ARG A 43 13.680 1.085 -16.740 1.00 0.00 N ATOM 576 CZ ARG A 43 14.925 1.360 -16.351 1.00 0.00 C ATOM 577 NH1 ARG A 43 15.830 1.768 -17.233 1.00 0.00 N ATOM 578 NH2 ARG A 43 15.265 1.227 -15.077 1.00 0.00 N ATOM 0 H ARG A 43 10.727 2.824 -20.103 1.00 0.00 H new ATOM 0 HA ARG A 43 12.863 1.258 -20.697 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.567 1.257 -19.004 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.593 -0.322 -19.763 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.791 -0.319 -17.608 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.849 -0.746 -18.939 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.067 1.207 -18.796 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.699 2.157 -18.251 1.00 0.00 H new ATOM 0 HE ARG A 43 13.014 0.774 -16.033 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.574 1.873 -18.215 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.781 1.977 -16.929 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.574 0.914 -14.395 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.217 1.437 -14.779 1.00 0.00 H new ATOM 592 N CYS A 44 10.563 0.607 -22.777 1.00 0.00 N ATOM 593 CA CYS A 44 10.203 -0.237 -23.897 1.00 0.00 C ATOM 594 C CYS A 44 11.381 -0.416 -24.837 1.00 0.00 C ATOM 595 O CYS A 44 11.348 -1.272 -25.724 1.00 0.00 O ATOM 596 CB CYS A 44 8.988 0.317 -24.612 1.00 0.00 C ATOM 597 SG CYS A 44 7.445 -0.529 -24.146 1.00 0.00 S ATOM 0 H CYS A 44 10.064 1.495 -22.728 1.00 0.00 H new ATOM 0 HA CYS A 44 9.938 -1.225 -23.519 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.895 1.380 -24.390 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.134 0.228 -25.688 1.00 0.00 H new ATOM 602 N GLN A 45 12.443 0.345 -24.596 1.00 0.00 N ATOM 603 CA GLN A 45 13.649 0.208 -25.372 1.00 0.00 C ATOM 604 C GLN A 45 14.211 -1.183 -25.114 1.00 0.00 C ATOM 605 O GLN A 45 14.891 -1.787 -25.945 1.00 0.00 O ATOM 606 CB GLN A 45 14.690 1.246 -24.964 1.00 0.00 C ATOM 607 CG GLN A 45 14.486 1.859 -23.586 1.00 0.00 C ATOM 608 CD GLN A 45 15.566 2.863 -23.227 1.00 0.00 C ATOM 609 OE1 GLN A 45 16.104 3.551 -24.096 1.00 0.00 O ATOM 610 NE2 GLN A 45 15.891 2.949 -21.942 1.00 0.00 N ATOM 0 H GLN A 45 12.484 1.059 -23.869 1.00 0.00 H new ATOM 0 HA GLN A 45 13.417 0.357 -26.427 1.00 0.00 H new ATOM 0 HB2 GLN A 45 15.675 0.781 -24.995 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.691 2.046 -25.704 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.513 2.350 -23.551 1.00 0.00 H new ATOM 0 HG3 GLN A 45 14.470 1.066 -22.839 1.00 0.00 H new ATOM 0 HE21 GLN A 45 15.419 2.360 -21.256 1.00 0.00 H new ATOM 0 HE22 GLN A 45 16.612 3.604 -21.641 1.00 0.00 H new ATOM 619 N GLU A 46 13.856 -1.663 -23.933 1.00 0.00 N ATOM 620 CA GLU A 46 14.226 -2.963 -23.438 1.00 0.00 C ATOM 621 C GLU A 46 13.435 -4.043 -24.165 1.00 0.00 C ATOM 622 O GLU A 46 13.834 -5.206 -24.199 1.00 0.00 O ATOM 623 CB GLU A 46 13.904 -2.995 -21.955 1.00 0.00 C ATOM 624 CG GLU A 46 15.006 -2.420 -21.089 1.00 0.00 C ATOM 625 CD GLU A 46 14.673 -2.469 -19.611 1.00 0.00 C ATOM 626 OE1 GLU A 46 13.479 -2.368 -19.268 1.00 0.00 O ATOM 627 OE2 GLU A 46 15.608 -2.616 -18.798 1.00 0.00 O ATOM 0 H GLU A 46 13.283 -1.134 -23.276 1.00 0.00 H new ATOM 0 HA GLU A 46 15.287 -3.149 -23.605 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.984 -2.437 -21.778 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.715 -4.025 -21.654 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.929 -2.972 -21.268 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.191 -1.386 -21.382 1.00 0.00 H new ATOM 634 N GLU A 47 12.317 -3.641 -24.770 1.00 0.00 N ATOM 635 CA GLU A 47 11.481 -4.569 -25.521 1.00 0.00 C ATOM 636 C GLU A 47 12.226 -5.098 -26.746 1.00 0.00 C ATOM 637 O GLU A 47 11.677 -5.866 -27.534 1.00 0.00 O ATOM 638 CB GLU A 47 10.179 -3.881 -25.950 1.00 0.00 C ATOM 639 CG GLU A 47 9.099 -4.853 -26.391 1.00 0.00 C ATOM 640 CD GLU A 47 8.569 -4.543 -27.776 1.00 0.00 C ATOM 641 OE1 GLU A 47 9.388 -4.432 -28.714 1.00 0.00 O ATOM 642 OE2 GLU A 47 7.337 -4.410 -27.924 1.00 0.00 O ATOM 0 H GLU A 47 11.973 -2.681 -24.753 1.00 0.00 H new ATOM 0 HA GLU A 47 11.239 -5.413 -24.875 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.802 -3.283 -25.120 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.393 -3.192 -26.767 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.500 -5.867 -26.377 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.276 -4.826 -25.676 1.00 0.00 H new ATOM 649 N ASN A 48 13.492 -4.690 -26.898 1.00 0.00 N ATOM 650 CA ASN A 48 14.315 -5.128 -28.013 1.00 0.00 C ATOM 651 C ASN A 48 14.335 -6.649 -28.108 1.00 0.00 C ATOM 652 O ASN A 48 14.586 -7.214 -29.176 1.00 0.00 O ATOM 653 CB ASN A 48 15.739 -4.591 -27.855 1.00 0.00 C ATOM 654 CG ASN A 48 16.328 -4.907 -26.494 1.00 0.00 C ATOM 655 OD1 ASN A 48 16.172 -3.984 -25.548 1.00 0.00 O flip ATOM 656 ND2 ASN A 48 16.919 -5.968 -26.292 1.00 0.00 N flip ATOM 0 H ASN A 48 13.963 -4.054 -26.255 1.00 0.00 H new ATOM 0 HA ASN A 48 13.885 -4.734 -28.934 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.374 -5.019 -28.631 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.736 -3.511 -28.005 1.00 0.00 H new ATOM 0 HD21 ASN A 48 17.016 -6.649 -27.045 1.00 0.00 H new ATOM 0 HD22 ASN A 48 17.311 -6.166 -25.371 1.00 0.00 H new ATOM 663 N TYR A 49 14.055 -7.308 -26.987 1.00 0.00 N ATOM 664 CA TYR A 49 14.028 -8.767 -26.944 1.00 0.00 C ATOM 665 C TYR A 49 12.672 -9.283 -27.408 1.00 0.00 C ATOM 666 O TYR A 49 11.652 -8.614 -27.229 1.00 0.00 O ATOM 667 CB TYR A 49 14.323 -9.264 -25.524 1.00 0.00 C ATOM 668 CG TYR A 49 15.688 -8.857 -25.014 1.00 0.00 C ATOM 669 CD1 TYR A 49 15.870 -7.654 -24.346 1.00 0.00 C ATOM 670 CD2 TYR A 49 16.794 -9.677 -25.203 1.00 0.00 C ATOM 671 CE1 TYR A 49 17.115 -7.276 -23.881 1.00 0.00 C ATOM 672 CE2 TYR A 49 18.043 -9.306 -24.741 1.00 0.00 C ATOM 673 CZ TYR A 49 18.197 -8.106 -24.081 1.00 0.00 C ATOM 674 OH TYR A 49 19.440 -7.735 -23.616 1.00 0.00 O ATOM 0 H TYR A 49 13.844 -6.856 -26.097 1.00 0.00 H new ATOM 0 HA TYR A 49 14.798 -9.148 -27.615 1.00 0.00 H new ATOM 0 HB2 TYR A 49 13.561 -8.878 -24.847 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.246 -10.351 -25.505 1.00 0.00 H new ATOM 0 HD1 TYR A 49 15.024 -7.002 -24.187 1.00 0.00 H new ATOM 0 HD2 TYR A 49 16.676 -10.619 -25.719 1.00 0.00 H new ATOM 0 HE1 TYR A 49 17.240 -6.336 -23.364 1.00 0.00 H new ATOM 0 HE2 TYR A 49 18.894 -9.953 -24.896 1.00 0.00 H new ATOM 0 HH TYR A 49 20.093 -8.431 -23.838 1.00 0.00 H new ATOM 684 N LEU A 50 12.658 -10.461 -28.022 1.00 0.00 N ATOM 685 CA LEU A 50 11.414 -11.041 -28.518 1.00 0.00 C ATOM 686 C LEU A 50 10.934 -12.193 -27.629 1.00 0.00 C ATOM 687 O LEU A 50 11.045 -13.358 -28.007 1.00 0.00 O ATOM 688 CB LEU A 50 11.598 -11.533 -29.958 1.00 0.00 C ATOM 689 CG LEU A 50 12.035 -10.463 -30.965 1.00 0.00 C ATOM 690 CD1 LEU A 50 11.117 -9.250 -30.897 1.00 0.00 C ATOM 691 CD2 LEU A 50 13.481 -10.056 -30.719 1.00 0.00 C ATOM 0 H LEU A 50 13.488 -11.030 -28.188 1.00 0.00 H new ATOM 0 HA LEU A 50 10.653 -10.261 -28.496 1.00 0.00 H new ATOM 0 HB2 LEU A 50 12.338 -12.333 -29.959 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.658 -11.967 -30.299 1.00 0.00 H new ATOM 0 HG LEU A 50 11.963 -10.888 -31.966 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.446 -8.504 -31.620 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.096 -9.553 -31.128 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.151 -8.824 -29.894 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.773 -9.296 -31.443 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.579 -9.653 -29.711 1.00 0.00 H new ATOM 0 HD23 LEU A 50 14.127 -10.927 -30.826 1.00 0.00 H new ATOM 703 N PRO A 51 10.392 -11.885 -26.433 1.00 0.00 N ATOM 704 CA PRO A 51 9.891 -12.907 -25.497 1.00 0.00 C ATOM 705 C PRO A 51 8.869 -13.842 -26.140 1.00 0.00 C ATOM 706 O PRO A 51 8.709 -13.854 -27.359 1.00 0.00 O ATOM 707 CB PRO A 51 9.231 -12.072 -24.405 1.00 0.00 C ATOM 708 CG PRO A 51 10.017 -10.820 -24.422 1.00 0.00 C ATOM 709 CD PRO A 51 10.220 -10.529 -25.877 1.00 0.00 C ATOM 0 HA PRO A 51 10.686 -13.563 -25.142 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.178 -11.890 -24.618 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.280 -12.566 -23.435 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.484 -10.009 -23.925 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.968 -10.941 -23.904 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.365 -10.013 -26.314 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.094 -9.902 -26.051 1.00 0.00 H new ATOM 717 N SER A 52 8.169 -14.616 -25.313 1.00 0.00 N ATOM 718 CA SER A 52 7.160 -15.539 -25.816 1.00 0.00 C ATOM 719 C SER A 52 6.070 -15.792 -24.771 1.00 0.00 C ATOM 720 O SER A 52 4.911 -15.428 -24.981 1.00 0.00 O ATOM 721 CB SER A 52 7.807 -16.860 -26.245 1.00 0.00 C ATOM 722 OG SER A 52 9.094 -17.007 -25.672 1.00 0.00 O ATOM 0 H SER A 52 8.282 -14.621 -24.299 1.00 0.00 H new ATOM 0 HA SER A 52 6.691 -15.080 -26.687 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.173 -17.694 -25.943 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.883 -16.895 -27.332 1.00 0.00 H new ATOM 0 HG SER A 52 9.485 -17.858 -25.960 1.00 0.00 H new ATOM 728 N PRO A 53 6.414 -16.429 -23.632 1.00 0.00 N ATOM 729 CA PRO A 53 5.459 -16.738 -22.579 1.00 0.00 C ATOM 730 C PRO A 53 5.490 -15.738 -21.425 1.00 0.00 C ATOM 731 O PRO A 53 6.501 -15.610 -20.739 1.00 0.00 O ATOM 732 CB PRO A 53 5.965 -18.099 -22.110 1.00 0.00 C ATOM 733 CG PRO A 53 7.457 -18.031 -22.273 1.00 0.00 C ATOM 734 CD PRO A 53 7.750 -16.928 -23.267 1.00 0.00 C ATOM 0 HA PRO A 53 4.426 -16.713 -22.926 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.689 -18.288 -21.073 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.538 -18.906 -22.705 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.939 -17.825 -21.317 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.849 -18.984 -22.629 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.365 -16.143 -22.826 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.289 -17.304 -24.136 1.00 0.00 H new ATOM 742 N CYS A 54 4.375 -15.045 -21.210 1.00 0.00 N ATOM 743 CA CYS A 54 4.285 -14.078 -20.133 1.00 0.00 C ATOM 744 C CYS A 54 2.862 -13.541 -19.967 1.00 0.00 C ATOM 745 O CYS A 54 1.899 -14.155 -20.433 1.00 0.00 O ATOM 746 CB CYS A 54 5.302 -12.948 -20.351 1.00 0.00 C ATOM 747 SG CYS A 54 4.789 -11.641 -21.514 1.00 0.00 S ATOM 0 H CYS A 54 3.527 -15.138 -21.768 1.00 0.00 H new ATOM 0 HA CYS A 54 4.533 -14.583 -19.199 1.00 0.00 H new ATOM 0 HB2 CYS A 54 5.519 -12.487 -19.387 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.233 -13.386 -20.712 1.00 0.00 H new ATOM 752 N GLN A 55 2.740 -12.409 -19.273 1.00 0.00 N ATOM 753 CA GLN A 55 1.441 -11.792 -19.008 1.00 0.00 C ATOM 754 C GLN A 55 0.914 -11.029 -20.223 1.00 0.00 C ATOM 755 O GLN A 55 1.457 -11.136 -21.321 1.00 0.00 O ATOM 756 CB GLN A 55 1.553 -10.846 -17.807 1.00 0.00 C ATOM 757 CG GLN A 55 0.282 -10.752 -16.981 1.00 0.00 C ATOM 758 CD GLN A 55 -0.224 -9.328 -16.836 1.00 0.00 C ATOM 759 OE1 GLN A 55 -1.363 -9.037 -17.457 1.00 0.00 O flip ATOM 760 NE2 GLN A 55 0.402 -8.500 -16.176 1.00 0.00 N flip ATOM 0 H GLN A 55 3.532 -11.898 -18.882 1.00 0.00 H new ATOM 0 HA GLN A 55 0.732 -12.590 -18.787 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.368 -11.182 -17.166 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.818 -9.851 -18.164 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.493 -11.362 -17.445 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.466 -11.169 -15.991 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.272 -8.767 -15.716 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.051 -7.546 -16.089 1.00 0.00 H new ATOM 769 N SER A 56 -0.148 -10.254 -20.011 1.00 0.00 N ATOM 770 CA SER A 56 -0.756 -9.467 -21.073 1.00 0.00 C ATOM 771 C SER A 56 -1.977 -8.703 -20.560 1.00 0.00 C ATOM 772 O SER A 56 -1.907 -7.496 -20.329 1.00 0.00 O ATOM 773 CB SER A 56 -1.156 -10.361 -22.250 1.00 0.00 C ATOM 774 OG SER A 56 -1.720 -9.594 -23.300 1.00 0.00 O ATOM 0 H SER A 56 -0.606 -10.157 -19.105 1.00 0.00 H new ATOM 0 HA SER A 56 -0.015 -8.745 -21.416 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.282 -10.899 -22.617 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.874 -11.110 -21.915 1.00 0.00 H new ATOM 0 HG SER A 56 -1.966 -10.186 -24.041 1.00 0.00 H new ATOM 780 N GLY A 57 -3.095 -9.411 -20.383 1.00 0.00 N ATOM 781 CA GLY A 57 -4.315 -8.770 -19.903 1.00 0.00 C ATOM 782 C GLY A 57 -4.557 -9.008 -18.431 1.00 0.00 C ATOM 783 O GLY A 57 -4.468 -10.140 -17.955 1.00 0.00 O ATOM 0 H GLY A 57 -3.178 -10.412 -20.562 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.255 -7.698 -20.089 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.166 -9.144 -20.472 1.00 0.00 H new ATOM 787 N GLN A 58 -4.839 -7.932 -17.709 1.00 0.00 N ATOM 788 CA GLN A 58 -5.063 -8.007 -16.282 1.00 0.00 C ATOM 789 C GLN A 58 -6.461 -7.524 -15.885 1.00 0.00 C ATOM 790 O GLN A 58 -7.000 -6.611 -16.499 1.00 0.00 O ATOM 791 CB GLN A 58 -4.031 -7.152 -15.593 1.00 0.00 C ATOM 792 CG GLN A 58 -2.848 -7.943 -15.085 1.00 0.00 C ATOM 793 CD GLN A 58 -2.672 -7.833 -13.584 1.00 0.00 C ATOM 794 OE1 GLN A 58 -1.657 -7.333 -13.103 1.00 0.00 O ATOM 795 NE2 GLN A 58 -3.664 -8.303 -12.838 1.00 0.00 N ATOM 0 H GLN A 58 -4.917 -6.992 -18.097 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.981 -9.051 -15.980 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.679 -6.389 -16.287 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.499 -6.632 -14.757 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.974 -8.991 -15.356 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.942 -7.592 -15.580 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.488 -8.709 -13.282 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.603 -8.258 -11.821 1.00 0.00 H new ATOM 804 N LYS A 59 -7.067 -8.236 -14.922 1.00 0.00 N ATOM 805 CA LYS A 59 -8.463 -8.015 -14.476 1.00 0.00 C ATOM 806 C LYS A 59 -9.045 -6.681 -14.958 1.00 0.00 C ATOM 807 O LYS A 59 -8.955 -5.641 -14.295 1.00 0.00 O ATOM 808 CB LYS A 59 -8.511 -8.056 -12.936 1.00 0.00 C ATOM 809 CG LYS A 59 -7.486 -7.152 -12.265 1.00 0.00 C ATOM 810 CD LYS A 59 -7.017 -7.725 -10.936 1.00 0.00 C ATOM 811 CE LYS A 59 -7.157 -6.713 -9.809 1.00 0.00 C ATOM 812 NZ LYS A 59 -8.005 -7.230 -8.702 1.00 0.00 N ATOM 0 H LYS A 59 -6.600 -8.992 -14.421 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.069 -8.808 -14.914 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.508 -7.767 -12.605 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.350 -9.082 -12.604 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.630 -7.018 -12.926 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.921 -6.166 -12.103 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.597 -8.617 -10.699 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.975 -8.035 -11.020 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.169 -6.461 -9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.591 -5.792 -10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.076 -6.511 -7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.955 -7.447 -9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.578 -8.094 -8.312 1.00 0.00 H new ATOM 826 N PRO A 60 -9.584 -6.725 -16.203 1.00 0.00 N ATOM 827 CA PRO A 60 -10.142 -5.570 -16.908 1.00 0.00 C ATOM 828 C PRO A 60 -11.202 -4.746 -16.176 1.00 0.00 C ATOM 829 O PRO A 60 -11.795 -5.164 -15.185 1.00 0.00 O ATOM 830 CB PRO A 60 -10.791 -6.170 -18.158 1.00 0.00 C ATOM 831 CG PRO A 60 -10.069 -7.437 -18.409 1.00 0.00 C ATOM 832 CD PRO A 60 -9.579 -7.925 -17.074 1.00 0.00 C ATOM 0 HA PRO A 60 -9.329 -4.861 -17.067 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.855 -6.349 -18.000 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.704 -5.494 -19.008 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.727 -8.172 -18.873 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.235 -7.279 -19.093 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.228 -8.705 -16.676 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.579 -8.352 -17.152 1.00 0.00 H new ATOM 840 N CYS A 61 -11.447 -3.567 -16.751 1.00 0.00 N ATOM 841 CA CYS A 61 -12.456 -2.653 -16.251 1.00 0.00 C ATOM 842 C CYS A 61 -12.920 -1.675 -17.307 1.00 0.00 C ATOM 843 O CYS A 61 -12.292 -1.480 -18.356 1.00 0.00 O ATOM 844 CB CYS A 61 -11.990 -1.879 -15.026 1.00 0.00 C ATOM 845 SG CYS A 61 -10.262 -1.328 -15.099 1.00 0.00 S ATOM 0 H CYS A 61 -10.949 -3.227 -17.574 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.295 -3.287 -15.963 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.631 -1.007 -14.897 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.122 -2.505 -14.144 1.00 0.00 H new ATOM 850 N GLY A 62 -14.062 -1.084 -17.023 1.00 0.00 N ATOM 851 CA GLY A 62 -14.721 -0.150 -17.911 1.00 0.00 C ATOM 852 C GLY A 62 -14.274 1.288 -17.797 1.00 0.00 C ATOM 853 O GLY A 62 -14.975 2.200 -18.234 1.00 0.00 O ATOM 0 H GLY A 62 -14.568 -1.243 -16.151 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.563 -0.480 -18.938 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.794 -0.194 -17.723 1.00 0.00 H new ATOM 857 N SER A 63 -13.069 1.500 -17.283 1.00 0.00 N ATOM 858 CA SER A 63 -12.515 2.824 -17.213 1.00 0.00 C ATOM 859 C SER A 63 -11.457 2.987 -18.307 1.00 0.00 C ATOM 860 O SER A 63 -10.431 3.640 -18.108 1.00 0.00 O ATOM 861 CB SER A 63 -11.941 3.108 -15.830 1.00 0.00 C ATOM 862 OG SER A 63 -11.783 4.498 -15.613 1.00 0.00 O ATOM 0 H SER A 63 -12.466 0.766 -16.912 1.00 0.00 H new ATOM 0 HA SER A 63 -13.307 3.554 -17.380 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.600 2.692 -15.068 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.977 2.610 -15.725 1.00 0.00 H new ATOM 0 HG SER A 63 -11.887 4.694 -14.658 1.00 0.00 H new ATOM 868 N GLY A 64 -11.742 2.389 -19.465 1.00 0.00 N ATOM 869 CA GLY A 64 -10.852 2.468 -20.605 1.00 0.00 C ATOM 870 C GLY A 64 -9.826 1.340 -20.692 1.00 0.00 C ATOM 871 O GLY A 64 -8.907 1.399 -21.508 1.00 0.00 O ATOM 0 H GLY A 64 -12.588 1.844 -19.630 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.450 2.468 -21.516 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.323 3.420 -20.571 1.00 0.00 H new ATOM 875 N GLY A 65 -9.965 0.338 -19.833 1.00 0.00 N ATOM 876 CA GLY A 65 -9.025 -0.752 -19.812 1.00 0.00 C ATOM 877 C GLY A 65 -8.997 -1.548 -18.541 1.00 0.00 C ATOM 878 O GLY A 65 -10.026 -1.787 -17.918 1.00 0.00 O ATOM 0 H GLY A 65 -10.718 0.266 -19.149 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.255 -1.425 -20.638 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.027 -0.353 -19.994 1.00 0.00 H new ATOM 882 N ARG A 66 -7.835 -2.083 -18.243 1.00 0.00 N ATOM 883 CA ARG A 66 -7.699 -2.989 -17.133 1.00 0.00 C ATOM 884 C ARG A 66 -7.289 -2.289 -15.874 1.00 0.00 C ATOM 885 O ARG A 66 -7.141 -1.075 -15.854 1.00 0.00 O ATOM 886 CB ARG A 66 -6.671 -4.082 -17.468 1.00 0.00 C ATOM 887 CG ARG A 66 -6.764 -4.615 -18.890 1.00 0.00 C ATOM 888 CD ARG A 66 -8.108 -5.252 -19.153 1.00 0.00 C ATOM 889 NE ARG A 66 -8.069 -6.173 -20.287 1.00 0.00 N ATOM 890 CZ ARG A 66 -8.278 -5.811 -21.550 1.00 0.00 C ATOM 891 NH1 ARG A 66 -8.544 -4.546 -21.848 1.00 0.00 N ATOM 892 NH2 ARG A 66 -8.221 -6.717 -22.519 1.00 0.00 N ATOM 0 H ARG A 66 -6.972 -1.904 -18.756 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.679 -3.435 -16.961 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.669 -3.684 -17.307 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.800 -4.911 -16.773 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.601 -3.801 -19.597 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.974 -5.347 -19.058 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.435 -5.789 -18.262 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.846 -4.473 -19.345 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.869 -7.155 -20.098 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.589 -3.846 -21.107 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.704 -4.273 -22.818 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.017 -7.691 -22.295 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.381 -6.439 -23.487 1.00 0.00 H new ATOM 906 N CYS A 67 -7.049 -3.066 -14.828 1.00 0.00 N ATOM 907 CA CYS A 67 -6.604 -2.512 -13.573 1.00 0.00 C ATOM 908 C CYS A 67 -5.115 -2.173 -13.653 1.00 0.00 C ATOM 909 O CYS A 67 -4.337 -2.570 -12.788 1.00 0.00 O ATOM 910 CB CYS A 67 -6.890 -3.483 -12.432 1.00 0.00 C ATOM 911 SG CYS A 67 -6.464 -2.835 -10.800 1.00 0.00 S ATOM 0 H CYS A 67 -7.157 -4.080 -14.831 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.154 -1.592 -13.372 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.949 -3.743 -12.445 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.334 -4.405 -12.603 1.00 0.00 H new ATOM 916 N ALA A 68 -4.753 -1.477 -14.726 1.00 0.00 N ATOM 917 CA ALA A 68 -3.369 -1.083 -15.019 1.00 0.00 C ATOM 918 C ALA A 68 -2.428 -1.077 -13.811 1.00 0.00 C ATOM 919 O ALA A 68 -1.463 -1.844 -13.782 1.00 0.00 O ATOM 920 CB ALA A 68 -3.340 0.273 -15.687 1.00 0.00 C ATOM 0 H ALA A 68 -5.420 -1.163 -15.431 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.991 -1.857 -15.688 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.308 0.552 -15.898 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.903 0.231 -16.619 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.788 1.014 -15.025 1.00 0.00 H new ATOM 926 N ALA A 69 -2.640 -0.181 -12.838 1.00 0.00 N ATOM 927 CA ALA A 69 -1.754 -0.063 -11.674 1.00 0.00 C ATOM 928 C ALA A 69 -2.465 0.654 -10.517 1.00 0.00 C ATOM 929 O ALA A 69 -3.279 1.539 -10.753 1.00 0.00 O ATOM 930 CB ALA A 69 -0.541 0.768 -12.020 1.00 0.00 C ATOM 0 H ALA A 69 -3.421 0.475 -12.835 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.469 -1.074 -11.384 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.107 0.847 -11.147 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.005 0.293 -12.835 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.858 1.764 -12.328 1.00 0.00 H new ATOM 936 N ALA A 70 -2.158 0.216 -9.284 1.00 0.00 N ATOM 937 CA ALA A 70 -2.776 0.759 -8.044 1.00 0.00 C ATOM 938 C ALA A 70 -4.015 1.556 -8.358 1.00 0.00 C ATOM 939 O ALA A 70 -4.017 2.780 -8.244 1.00 0.00 O ATOM 940 CB ALA A 70 -1.867 1.677 -7.265 1.00 0.00 C ATOM 0 H ALA A 70 -1.477 -0.523 -9.110 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.999 -0.123 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.386 2.033 -6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.969 1.135 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.588 2.527 -7.887 1.00 0.00 H new ATOM 946 N GLY A 71 -5.024 0.874 -8.822 1.00 0.00 N ATOM 947 CA GLY A 71 -6.215 1.544 -9.222 1.00 0.00 C ATOM 948 C GLY A 71 -5.903 2.498 -10.356 1.00 0.00 C ATOM 949 O GLY A 71 -5.768 3.703 -10.178 1.00 0.00 O ATOM 0 H GLY A 71 -5.040 -0.140 -8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.964 0.818 -9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.638 2.091 -8.379 1.00 0.00 H new ATOM 953 N ILE A 72 -5.828 1.922 -11.525 1.00 0.00 N ATOM 954 CA ILE A 72 -5.574 2.623 -12.754 1.00 0.00 C ATOM 955 C ILE A 72 -6.134 1.786 -13.846 1.00 0.00 C ATOM 956 O ILE A 72 -5.550 0.787 -14.246 1.00 0.00 O ATOM 957 CB ILE A 72 -4.077 2.909 -13.005 1.00 0.00 C ATOM 958 CG1 ILE A 72 -3.671 4.138 -12.243 1.00 0.00 C ATOM 959 CG2 ILE A 72 -3.716 3.066 -14.488 1.00 0.00 C ATOM 960 CD1 ILE A 72 -3.756 5.420 -13.044 1.00 0.00 C ATOM 0 H ILE A 72 -5.946 0.917 -11.652 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.045 3.605 -12.706 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.527 2.036 -12.653 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.305 4.231 -11.361 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.648 4.011 -11.889 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.649 3.265 -14.584 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.963 2.148 -15.022 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.279 3.896 -14.914 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.446 6.259 -12.421 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.100 5.351 -13.912 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.783 5.574 -13.376 1.00 0.00 H new ATOM 972 N CYS A 73 -7.289 2.173 -14.302 1.00 0.00 N ATOM 973 CA CYS A 73 -7.922 1.441 -15.331 1.00 0.00 C ATOM 974 C CYS A 73 -7.338 1.993 -16.614 1.00 0.00 C ATOM 975 O CYS A 73 -7.643 3.113 -17.036 1.00 0.00 O ATOM 976 CB CYS A 73 -9.429 1.545 -15.182 1.00 0.00 C ATOM 977 SG CYS A 73 -10.358 0.374 -16.201 1.00 0.00 S ATOM 0 H CYS A 73 -7.802 2.991 -13.971 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.742 0.366 -15.307 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.691 1.387 -14.136 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.739 2.558 -15.438 1.00 0.00 H new ATOM 982 N CYS A 74 -6.358 1.259 -17.133 1.00 0.00 N ATOM 983 CA CYS A 74 -5.595 1.739 -18.254 1.00 0.00 C ATOM 984 C CYS A 74 -5.314 0.703 -19.314 1.00 0.00 C ATOM 985 O CYS A 74 -5.092 -0.484 -19.051 1.00 0.00 O ATOM 986 CB CYS A 74 -4.250 2.248 -17.726 1.00 0.00 C ATOM 987 SG CYS A 74 -2.902 2.413 -18.966 1.00 0.00 S ATOM 0 H CYS A 74 -6.084 0.338 -16.790 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.196 2.514 -18.729 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.410 3.221 -17.262 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.912 1.572 -16.940 1.00 0.00 H new ATOM 992 N SER A 75 -5.278 1.217 -20.524 1.00 0.00 N ATOM 993 CA SER A 75 -4.951 0.423 -21.683 1.00 0.00 C ATOM 994 C SER A 75 -3.803 1.127 -22.430 1.00 0.00 C ATOM 995 O SER A 75 -2.932 1.689 -21.773 1.00 0.00 O ATOM 996 CB SER A 75 -6.212 0.282 -22.547 1.00 0.00 C ATOM 997 OG SER A 75 -7.234 -0.393 -21.844 1.00 0.00 O ATOM 0 H SER A 75 -5.475 2.196 -20.730 1.00 0.00 H new ATOM 0 HA SER A 75 -4.619 -0.580 -21.415 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.563 1.269 -22.848 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.973 -0.263 -23.460 1.00 0.00 H new ATOM 0 HG SER A 75 -8.080 0.090 -21.953 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.782 1.215 -23.786 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.747 1.959 -24.470 1.00 0.00 C ATOM 1005 C PRO A 76 -3.223 3.383 -24.666 1.00 0.00 C ATOM 1006 O PRO A 76 -2.443 4.330 -24.790 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.620 1.235 -25.815 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.857 0.399 -25.966 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.733 0.670 -24.768 1.00 0.00 C ATOM 0 HA PRO A 76 -1.798 2.005 -23.935 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.532 1.949 -26.634 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.726 0.612 -25.838 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.380 0.650 -26.889 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.601 -0.659 -26.023 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.527 1.380 -25.000 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.214 -0.238 -24.405 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.545 3.495 -24.744 1.00 0.00 N ATOM 1018 CA ASP A 77 -5.284 4.755 -24.982 1.00 0.00 C ATOM 1019 C ASP A 77 -4.974 5.743 -23.903 1.00 0.00 C ATOM 1020 O ASP A 77 -4.485 6.839 -24.170 1.00 0.00 O ATOM 1021 CB ASP A 77 -6.796 4.490 -25.028 1.00 0.00 C ATOM 1022 CG ASP A 77 -7.429 4.990 -26.310 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -7.177 4.379 -27.375 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -8.173 5.991 -26.262 1.00 0.00 O ATOM 0 H ASP A 77 -5.163 2.690 -24.641 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.971 5.164 -25.942 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.978 3.420 -24.929 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.274 4.975 -24.177 1.00 0.00 H new ATOM 1029 N GLY A 78 -5.142 5.300 -22.650 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.743 6.108 -21.520 1.00 0.00 C ATOM 1031 C GLY A 78 -4.916 5.403 -20.201 1.00 0.00 C ATOM 1032 O GLY A 78 -5.784 4.536 -20.061 1.00 0.00 O ATOM 0 H GLY A 78 -5.548 4.396 -22.408 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.698 6.396 -21.637 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.328 7.028 -21.513 1.00 0.00 H new ATOM 1036 N CYS A 79 -4.155 5.807 -19.201 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.314 5.242 -17.880 1.00 0.00 C ATOM 1038 C CYS A 79 -4.891 6.241 -16.956 1.00 0.00 C ATOM 1039 O CYS A 79 -4.583 7.431 -17.010 1.00 0.00 O ATOM 1040 CB CYS A 79 -3.023 4.818 -17.221 1.00 0.00 C ATOM 1041 SG CYS A 79 -1.844 4.033 -18.341 1.00 0.00 S ATOM 0 H CYS A 79 -3.428 6.518 -19.279 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.950 4.372 -18.043 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.553 5.693 -16.772 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.252 4.127 -16.410 1.00 0.00 H new ATOM 1046 N GLU A 80 -5.743 5.754 -16.105 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.388 6.606 -15.144 1.00 0.00 C ATOM 1048 C GLU A 80 -6.716 5.852 -13.868 1.00 0.00 C ATOM 1049 O GLU A 80 -7.157 4.709 -13.910 1.00 0.00 O ATOM 1050 CB GLU A 80 -7.657 7.226 -15.735 1.00 0.00 C ATOM 1051 CG GLU A 80 -8.776 6.227 -15.994 1.00 0.00 C ATOM 1052 CD GLU A 80 -10.059 6.600 -15.285 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -10.205 6.253 -14.092 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -10.921 7.249 -15.915 1.00 0.00 O ATOM 0 H GLU A 80 -6.010 4.771 -16.054 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.691 7.406 -14.894 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.022 7.996 -15.056 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.403 7.722 -16.672 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.962 6.164 -17.066 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.458 5.237 -15.667 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.486 6.501 -12.731 1.00 0.00 N ATOM 1062 CA GLU A 81 -6.739 5.901 -11.443 1.00 0.00 C ATOM 1063 C GLU A 81 -8.148 5.378 -11.406 1.00 0.00 C ATOM 1064 O GLU A 81 -9.104 6.146 -11.437 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.503 6.915 -10.321 1.00 0.00 C ATOM 1066 CG GLU A 81 -7.008 8.296 -10.643 1.00 0.00 C ATOM 1067 CD GLU A 81 -6.034 9.383 -10.247 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -4.807 9.143 -10.320 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -6.491 10.480 -9.859 1.00 0.00 O ATOM 0 H GLU A 81 -6.121 7.452 -12.685 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.049 5.071 -11.290 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.992 6.561 -9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.435 6.968 -10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.207 8.365 -11.712 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.956 8.460 -10.131 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.269 4.062 -11.334 1.00 0.00 N ATOM 1077 CA ASP A 82 -9.562 3.462 -11.295 1.00 0.00 C ATOM 1078 C ASP A 82 -9.958 3.100 -9.865 1.00 0.00 C ATOM 1079 O ASP A 82 -9.525 2.092 -9.318 1.00 0.00 O ATOM 1080 CB ASP A 82 -9.677 2.253 -12.258 1.00 0.00 C ATOM 1081 CG ASP A 82 -8.668 1.155 -12.026 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -8.096 1.125 -10.938 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -8.486 0.302 -12.929 1.00 0.00 O ATOM 0 H ASP A 82 -7.487 3.408 -11.302 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.276 4.204 -11.653 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.678 1.831 -12.169 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.572 2.612 -13.282 1.00 0.00 H new ATOM 1088 N PRO A 83 -10.818 3.933 -9.251 1.00 0.00 N ATOM 1089 CA PRO A 83 -11.335 3.714 -7.906 1.00 0.00 C ATOM 1090 C PRO A 83 -12.021 2.365 -7.856 1.00 0.00 C ATOM 1091 O PRO A 83 -12.259 1.771 -6.799 1.00 0.00 O ATOM 1092 CB PRO A 83 -12.337 4.866 -7.728 1.00 0.00 C ATOM 1093 CG PRO A 83 -11.830 5.907 -8.643 1.00 0.00 C ATOM 1094 CD PRO A 83 -11.362 5.146 -9.839 1.00 0.00 C ATOM 0 HA PRO A 83 -10.576 3.705 -7.123 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.350 4.561 -7.989 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.366 5.217 -6.697 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.611 6.621 -8.906 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.018 6.475 -8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.179 4.931 -10.528 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.608 5.697 -10.401 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.255 1.871 -9.050 1.00 0.00 N ATOM 1103 CA ALA A 84 -12.811 0.584 -9.280 1.00 0.00 C ATOM 1104 C ALA A 84 -11.813 -0.453 -8.849 1.00 0.00 C ATOM 1105 O ALA A 84 -12.127 -1.632 -8.627 1.00 0.00 O ATOM 1106 CB ALA A 84 -13.071 0.478 -10.760 1.00 0.00 C ATOM 0 H ALA A 84 -12.052 2.383 -9.909 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.735 0.432 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.500 -0.498 -10.985 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.768 1.259 -11.064 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.134 0.596 -11.303 1.00 0.00 H new ATOM 1112 N CYS A 85 -10.573 0.009 -8.751 1.00 0.00 N ATOM 1113 CA CYS A 85 -9.485 -0.837 -8.370 1.00 0.00 C ATOM 1114 C CYS A 85 -8.732 -0.475 -7.071 1.00 0.00 C ATOM 1115 O CYS A 85 -8.228 -1.410 -6.450 1.00 0.00 O ATOM 1116 CB CYS A 85 -8.489 -1.027 -9.496 1.00 0.00 C ATOM 1117 SG CYS A 85 -8.272 -2.782 -9.906 1.00 0.00 S ATOM 0 H CYS A 85 -10.310 0.977 -8.935 1.00 0.00 H new ATOM 0 HA CYS A 85 -9.998 -1.772 -8.145 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.829 -0.486 -10.379 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -7.529 -0.598 -9.210 1.00 0.00 H new ATOM 1122 N ASP A 86 -8.584 0.814 -6.635 1.00 0.00 N ATOM 1123 CA ASP A 86 -7.781 1.027 -5.380 1.00 0.00 C ATOM 1124 C ASP A 86 -7.315 2.437 -4.928 1.00 0.00 C ATOM 1125 O ASP A 86 -6.953 2.587 -3.762 1.00 0.00 O ATOM 1126 CB ASP A 86 -6.449 0.329 -5.573 1.00 0.00 C ATOM 1127 CG ASP A 86 -5.772 -0.034 -4.264 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -6.480 -0.439 -3.322 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -4.526 0.078 -4.184 1.00 0.00 O ATOM 0 H ASP A 86 -8.966 1.649 -7.079 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.499 0.686 -4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.602 -0.577 -6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.787 0.975 -6.150 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.154 3.440 -5.792 1.00 0.00 N ATOM 1135 CA PRO A 87 -6.555 4.705 -5.397 1.00 0.00 C ATOM 1136 C PRO A 87 -7.540 5.783 -5.170 1.00 0.00 C ATOM 1137 O PRO A 87 -7.772 6.234 -4.048 1.00 0.00 O ATOM 1138 CB PRO A 87 -5.699 5.047 -6.620 1.00 0.00 C ATOM 1139 CG PRO A 87 -6.110 4.077 -7.667 1.00 0.00 C ATOM 1140 CD PRO A 87 -7.389 3.457 -7.207 1.00 0.00 C ATOM 0 HA PRO A 87 -6.019 4.619 -4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.869 6.073 -6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.636 4.956 -6.395 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.247 4.578 -8.625 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.342 3.317 -7.812 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.262 4.050 -7.479 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.541 2.459 -7.618 1.00 0.00 H new ATOM 1148 N GLU A 88 -8.141 6.177 -6.263 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.161 7.204 -6.226 1.00 0.00 C ATOM 1150 C GLU A 88 -10.426 6.534 -5.714 1.00 0.00 C ATOM 1151 O GLU A 88 -11.534 7.075 -5.695 1.00 0.00 O ATOM 1152 CB GLU A 88 -9.384 7.721 -7.649 1.00 0.00 C ATOM 1153 CG GLU A 88 -10.011 9.099 -7.709 1.00 0.00 C ATOM 1154 CD GLU A 88 -10.566 9.431 -9.082 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -9.924 9.066 -10.085 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -11.642 10.062 -9.149 1.00 0.00 O ATOM 0 H GLU A 88 -7.945 5.805 -7.192 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.879 8.042 -5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.427 7.745 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.022 7.018 -8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.813 9.161 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.266 9.845 -7.433 1.00 0.00 H new ATOM 1163 N ALA A 89 -10.181 5.253 -5.438 1.00 0.00 N ATOM 1164 CA ALA A 89 -11.127 4.234 -5.052 1.00 0.00 C ATOM 1165 C ALA A 89 -11.812 4.308 -3.692 1.00 0.00 C ATOM 1166 O ALA A 89 -11.597 5.165 -2.837 1.00 0.00 O ATOM 1167 CB ALA A 89 -10.399 2.899 -5.155 1.00 0.00 C ATOM 0 H ALA A 89 -9.232 4.882 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.964 4.382 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.076 2.093 -4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.062 2.747 -6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.538 2.902 -4.487 1.00 0.00 H new ATOM 1173 N ALA A 90 -12.599 3.257 -3.588 1.00 0.00 N ATOM 1174 CA ALA A 90 -13.389 2.804 -2.493 1.00 0.00 C ATOM 1175 C ALA A 90 -12.621 1.675 -1.825 1.00 0.00 C ATOM 1176 O ALA A 90 -11.409 1.559 -2.016 1.00 0.00 O ATOM 1177 CB ALA A 90 -14.684 2.262 -3.069 1.00 0.00 C ATOM 0 H ALA A 90 -12.703 2.627 -4.383 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.598 3.596 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.320 1.903 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.200 3.054 -3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.463 1.439 -3.749 1.00 0.00 H new ATOM 1183 N PHE A 91 -13.319 0.791 -1.122 1.00 0.00 N ATOM 1184 CA PHE A 91 -12.660 -0.366 -0.540 1.00 0.00 C ATOM 1185 C PHE A 91 -12.466 -1.352 -1.683 1.00 0.00 C ATOM 1186 O PHE A 91 -12.905 -2.505 -1.634 1.00 0.00 O ATOM 1187 CB PHE A 91 -13.502 -0.987 0.581 1.00 0.00 C ATOM 1188 CG PHE A 91 -12.719 -1.913 1.466 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -11.784 -1.414 2.360 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -12.917 -3.282 1.404 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -11.061 -2.265 3.177 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -12.197 -4.138 2.218 1.00 0.00 C ATOM 1193 CZ PHE A 91 -11.269 -3.628 3.106 1.00 0.00 C ATOM 0 H PHE A 91 -14.322 0.852 -0.945 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.710 -0.087 -0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -13.930 -0.190 1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -14.335 -1.534 0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -11.618 -0.348 2.419 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -13.642 -3.686 0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -10.335 -1.864 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -12.360 -5.204 2.160 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.707 -4.295 3.744 1.00 0.00 H new ATOM 1203 N SER A 92 -11.806 -0.844 -2.723 1.00 0.00 N ATOM 1204 CA SER A 92 -11.524 -1.584 -3.932 1.00 0.00 C ATOM 1205 C SER A 92 -10.073 -2.058 -3.963 1.00 0.00 C ATOM 1206 O SER A 92 -9.849 -3.268 -4.190 1.00 0.00 O ATOM 1207 CB SER A 92 -11.828 -0.703 -5.153 1.00 0.00 C ATOM 1208 OG SER A 92 -11.226 -1.231 -6.316 1.00 0.00 O ATOM 1209 OXT SER A 92 -9.171 -1.221 -3.760 1.00 0.00 O ATOM 0 H SER A 92 -11.450 0.112 -2.740 1.00 0.00 H new ATOM 0 HA SER A 92 -12.160 -2.469 -3.956 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.906 -0.632 -5.296 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.463 0.309 -4.977 1.00 0.00 H new ATOM 0 HG SER A 92 -11.919 -1.585 -6.911 1.00 0.00 H new