USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=8 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= -0.0289 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -111:sc= -2.91! USER MOD Single : A 55 GLN : amide:sc= 0.237 K(o=0.24,f=-5.4!) USER MOD Single : A 56 SER OG : rot 16:sc= 1.01 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= -0.958 USER MOD Single : A 75 SER OG : rot 138:sc= -1.99! USER MOD Single : A 92 SER OG : rot -3:sc= -5.53! USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 7.485 -11.108 -17.657 1.00 0.00 N ATOM 146 CA CYS A 10 8.097 -10.025 -18.428 1.00 0.00 C ATOM 147 C CYS A 10 9.205 -9.324 -17.638 1.00 0.00 C ATOM 148 O CYS A 10 9.647 -9.815 -16.600 1.00 0.00 O ATOM 149 CB CYS A 10 7.032 -9.017 -18.856 1.00 0.00 C ATOM 150 SG CYS A 10 5.493 -9.784 -19.479 1.00 0.00 S ATOM 0 HA CYS A 10 8.553 -10.465 -19.315 1.00 0.00 H new ATOM 0 HB2 CYS A 10 6.790 -8.377 -18.008 1.00 0.00 H new ATOM 0 HB3 CYS A 10 7.446 -8.374 -19.633 1.00 0.00 H new ATOM 155 N LEU A 11 9.668 -8.183 -18.155 1.00 0.00 N ATOM 156 CA LEU A 11 10.747 -7.423 -17.514 1.00 0.00 C ATOM 157 C LEU A 11 10.234 -6.155 -16.818 1.00 0.00 C ATOM 158 O LEU A 11 9.267 -5.531 -17.268 1.00 0.00 O ATOM 159 CB LEU A 11 11.805 -7.046 -18.554 1.00 0.00 C ATOM 160 CG LEU A 11 13.245 -7.370 -18.158 1.00 0.00 C ATOM 161 CD1 LEU A 11 13.601 -8.795 -18.549 1.00 0.00 C ATOM 162 CD2 LEU A 11 14.209 -6.382 -18.799 1.00 0.00 C ATOM 0 H LEU A 11 9.314 -7.764 -19.015 1.00 0.00 H new ATOM 0 HA LEU A 11 11.184 -8.064 -16.748 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.576 -7.562 -19.487 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.731 -5.977 -18.754 1.00 0.00 H new ATOM 0 HG LEU A 11 13.331 -7.282 -17.075 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.630 -9.006 -18.258 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.931 -9.490 -18.042 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.497 -8.913 -19.628 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.230 -6.628 -18.506 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.119 -6.438 -19.884 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.969 -5.372 -18.467 1.00 0.00 H new ATOM 174 N PRO A 12 10.887 -5.755 -15.698 1.00 0.00 N ATOM 175 CA PRO A 12 10.497 -4.565 -14.945 1.00 0.00 C ATOM 176 C PRO A 12 10.619 -3.275 -15.742 1.00 0.00 C ATOM 177 O PRO A 12 10.979 -3.274 -16.924 1.00 0.00 O ATOM 178 CB PRO A 12 11.479 -4.493 -13.772 1.00 0.00 C ATOM 179 CG PRO A 12 12.209 -5.786 -13.739 1.00 0.00 C ATOM 180 CD PRO A 12 12.045 -6.439 -15.091 1.00 0.00 C ATOM 0 HA PRO A 12 9.450 -4.650 -14.655 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.172 -3.662 -13.900 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.949 -4.325 -12.835 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.264 -5.624 -13.518 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.813 -6.429 -12.953 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.941 -6.318 -15.700 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.867 -7.510 -14.995 1.00 0.00 H new ATOM 188 N CYS A 13 10.294 -2.182 -15.064 1.00 0.00 N ATOM 189 CA CYS A 13 10.323 -0.869 -15.640 1.00 0.00 C ATOM 190 C CYS A 13 10.678 0.167 -14.579 1.00 0.00 C ATOM 191 O CYS A 13 11.168 -0.174 -13.500 1.00 0.00 O ATOM 192 CB CYS A 13 8.965 -0.559 -16.286 1.00 0.00 C ATOM 193 SG CYS A 13 8.945 0.897 -17.375 1.00 0.00 S ATOM 0 H CYS A 13 10.001 -2.196 -14.087 1.00 0.00 H new ATOM 0 HA CYS A 13 11.090 -0.830 -16.413 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.647 -1.428 -16.861 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.229 -0.413 -15.496 1.00 0.00 H new ATOM 198 N GLY A 14 10.389 1.419 -14.876 1.00 0.00 N ATOM 199 CA GLY A 14 10.658 2.486 -13.939 1.00 0.00 C ATOM 200 C GLY A 14 12.093 2.481 -13.445 1.00 0.00 C ATOM 201 O GLY A 14 13.016 2.144 -14.187 1.00 0.00 O ATOM 0 H GLY A 14 9.970 1.719 -15.756 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.444 3.444 -14.414 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.984 2.395 -13.087 1.00 0.00 H new ATOM 205 N PRO A 15 12.298 2.884 -12.194 1.00 0.00 N ATOM 206 CA PRO A 15 13.616 2.964 -11.571 1.00 0.00 C ATOM 207 C PRO A 15 14.066 1.633 -10.958 1.00 0.00 C ATOM 208 O PRO A 15 13.875 1.390 -9.767 1.00 0.00 O ATOM 209 CB PRO A 15 13.358 4.016 -10.499 1.00 0.00 C ATOM 210 CG PRO A 15 11.999 3.678 -10.024 1.00 0.00 C ATOM 211 CD PRO A 15 11.242 3.346 -11.278 1.00 0.00 C ATOM 0 HA PRO A 15 14.419 3.204 -12.269 1.00 0.00 H new ATOM 0 HB2 PRO A 15 14.092 3.962 -9.695 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.404 5.026 -10.905 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.017 2.834 -9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.543 4.514 -9.493 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.493 2.573 -11.104 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.717 4.215 -11.674 1.00 0.00 H new ATOM 219 N GLY A 16 14.666 0.774 -11.788 1.00 0.00 N ATOM 220 CA GLY A 16 15.138 -0.523 -11.317 1.00 0.00 C ATOM 221 C GLY A 16 14.208 -1.658 -11.713 1.00 0.00 C ATOM 222 O GLY A 16 14.570 -2.523 -12.509 1.00 0.00 O ATOM 0 H GLY A 16 14.833 0.954 -12.778 1.00 0.00 H new ATOM 0 HA2 GLY A 16 16.132 -0.714 -11.722 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.235 -0.499 -10.232 1.00 0.00 H new ATOM 226 N GLY A 17 13.008 -1.634 -11.158 1.00 0.00 N ATOM 227 CA GLY A 17 12.004 -2.634 -11.455 1.00 0.00 C ATOM 228 C GLY A 17 10.727 -2.373 -10.704 1.00 0.00 C ATOM 229 O GLY A 17 10.020 -3.285 -10.279 1.00 0.00 O ATOM 0 H GLY A 17 12.706 -0.923 -10.492 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.802 -2.642 -12.526 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.385 -3.622 -11.195 1.00 0.00 H new ATOM 233 N LYS A 18 10.462 -1.093 -10.560 1.00 0.00 N ATOM 234 CA LYS A 18 9.301 -0.578 -9.874 1.00 0.00 C ATOM 235 C LYS A 18 8.039 -0.910 -10.633 1.00 0.00 C ATOM 236 O LYS A 18 6.953 -1.057 -10.067 1.00 0.00 O ATOM 237 CB LYS A 18 9.441 0.927 -9.825 1.00 0.00 C ATOM 238 CG LYS A 18 9.869 1.488 -8.509 1.00 0.00 C ATOM 239 CD LYS A 18 10.813 0.553 -7.804 1.00 0.00 C ATOM 240 CE LYS A 18 11.285 1.112 -6.470 1.00 0.00 C ATOM 241 NZ LYS A 18 10.468 0.601 -5.334 1.00 0.00 N ATOM 0 H LYS A 18 11.068 -0.361 -10.929 1.00 0.00 H new ATOM 0 HA LYS A 18 9.237 -1.018 -8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.162 1.233 -10.583 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.484 1.373 -10.097 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.353 2.452 -8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.994 1.666 -7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.319 -0.405 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.676 0.361 -8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.330 0.846 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.233 2.201 -6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.821 1.005 -4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.474 0.877 -5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.537 -0.436 -5.295 1.00 0.00 H new ATOM 255 N GLY A 19 8.227 -1.072 -11.916 1.00 0.00 N ATOM 256 CA GLY A 19 7.187 -1.430 -12.811 1.00 0.00 C ATOM 257 C GLY A 19 7.669 -2.421 -13.843 1.00 0.00 C ATOM 258 O GLY A 19 8.577 -3.209 -13.597 1.00 0.00 O ATOM 0 H GLY A 19 9.134 -0.953 -12.367 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.355 -1.859 -12.252 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.810 -0.537 -13.309 1.00 0.00 H new ATOM 262 N ARG A 20 7.017 -2.366 -14.982 1.00 0.00 N ATOM 263 CA ARG A 20 7.306 -3.234 -16.098 1.00 0.00 C ATOM 264 C ARG A 20 6.675 -2.690 -17.372 1.00 0.00 C ATOM 265 O ARG A 20 6.025 -1.648 -17.352 1.00 0.00 O ATOM 266 CB ARG A 20 6.785 -4.620 -15.788 1.00 0.00 C ATOM 267 CG ARG A 20 5.284 -4.662 -15.654 1.00 0.00 C ATOM 268 CD ARG A 20 4.693 -5.926 -16.250 1.00 0.00 C ATOM 269 NE ARG A 20 4.306 -6.885 -15.216 1.00 0.00 N ATOM 270 CZ ARG A 20 5.140 -7.387 -14.310 1.00 0.00 C ATOM 271 NH1 ARG A 20 6.416 -7.033 -14.302 1.00 0.00 N ATOM 272 NH2 ARG A 20 4.697 -8.254 -13.408 1.00 0.00 N ATOM 0 H ARG A 20 6.260 -1.707 -15.161 1.00 0.00 H new ATOM 0 HA ARG A 20 8.383 -3.282 -16.257 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.094 -5.305 -16.578 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.238 -4.975 -14.863 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.013 -4.597 -14.600 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.852 -3.792 -16.149 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.822 -5.670 -16.853 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.420 -6.387 -16.919 1.00 0.00 H new ATOM 0 HE ARG A 20 3.333 -7.189 -15.188 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.766 -6.371 -14.994 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.049 -7.423 -13.604 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.717 -8.535 -13.410 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.337 -8.639 -12.713 1.00 0.00 H new ATOM 286 N CYS A 21 6.838 -3.421 -18.462 1.00 0.00 N ATOM 287 CA CYS A 21 6.257 -3.044 -19.749 1.00 0.00 C ATOM 288 C CYS A 21 5.085 -3.951 -20.054 1.00 0.00 C ATOM 289 O CYS A 21 5.221 -5.172 -19.963 1.00 0.00 O ATOM 290 CB CYS A 21 7.291 -3.197 -20.845 1.00 0.00 C ATOM 291 SG CYS A 21 7.927 -1.627 -21.512 1.00 0.00 S ATOM 0 H CYS A 21 7.373 -4.289 -18.485 1.00 0.00 H new ATOM 0 HA CYS A 21 5.926 -2.007 -19.701 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.128 -3.778 -20.458 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.854 -3.773 -21.661 1.00 0.00 H new ATOM 296 N PHE A 22 3.912 -3.400 -20.359 1.00 0.00 N ATOM 297 CA PHE A 22 2.742 -4.234 -20.600 1.00 0.00 C ATOM 298 C PHE A 22 2.507 -4.526 -22.086 1.00 0.00 C ATOM 299 O PHE A 22 1.622 -5.312 -22.425 1.00 0.00 O ATOM 300 CB PHE A 22 1.518 -3.547 -19.988 1.00 0.00 C ATOM 301 CG PHE A 22 1.521 -3.542 -18.488 1.00 0.00 C ATOM 302 CD1 PHE A 22 2.705 -3.377 -17.776 1.00 0.00 C ATOM 303 CD2 PHE A 22 0.342 -3.702 -17.782 1.00 0.00 C ATOM 304 CE1 PHE A 22 2.697 -3.372 -16.397 1.00 0.00 C ATOM 305 CE2 PHE A 22 0.335 -3.699 -16.400 1.00 0.00 C ATOM 306 CZ PHE A 22 1.513 -3.533 -15.708 1.00 0.00 C ATOM 0 H PHE A 22 3.749 -2.397 -20.444 1.00 0.00 H new ATOM 0 HA PHE A 22 2.916 -5.201 -20.129 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.471 -2.519 -20.347 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.616 -4.048 -20.340 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.637 -3.252 -18.307 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.586 -3.831 -18.319 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.622 -3.241 -15.854 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.594 -3.827 -15.864 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.510 -3.529 -14.628 1.00 0.00 H new ATOM 316 N GLY A 23 3.316 -3.933 -22.960 1.00 0.00 N ATOM 317 CA GLY A 23 3.150 -4.221 -24.377 1.00 0.00 C ATOM 318 C GLY A 23 3.418 -3.090 -25.354 1.00 0.00 C ATOM 319 O GLY A 23 4.424 -3.125 -26.062 1.00 0.00 O ATOM 0 H GLY A 23 4.062 -3.278 -22.725 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.810 -5.050 -24.632 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.128 -4.567 -24.533 1.00 0.00 H new ATOM 323 N PRO A 24 2.507 -2.106 -25.493 1.00 0.00 N ATOM 324 CA PRO A 24 2.668 -1.041 -26.476 1.00 0.00 C ATOM 325 C PRO A 24 3.282 0.224 -25.905 1.00 0.00 C ATOM 326 O PRO A 24 2.565 1.125 -25.472 1.00 0.00 O ATOM 327 CB PRO A 24 1.227 -0.809 -26.903 1.00 0.00 C ATOM 328 CG PRO A 24 0.423 -1.050 -25.668 1.00 0.00 C ATOM 329 CD PRO A 24 1.224 -1.967 -24.772 1.00 0.00 C ATOM 0 HA PRO A 24 3.352 -1.309 -27.281 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.083 0.204 -27.278 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.937 -1.489 -27.704 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.210 -0.109 -25.160 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.537 -1.502 -25.918 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.364 -1.539 -23.779 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.731 -2.930 -24.637 1.00 0.00 H new ATOM 337 N SER A 25 4.614 0.290 -25.901 1.00 0.00 N ATOM 338 CA SER A 25 5.309 1.458 -25.368 1.00 0.00 C ATOM 339 C SER A 25 4.832 1.753 -23.960 1.00 0.00 C ATOM 340 O SER A 25 5.000 2.865 -23.455 1.00 0.00 O ATOM 341 CB SER A 25 5.022 2.681 -26.239 1.00 0.00 C ATOM 342 OG SER A 25 6.116 3.580 -26.238 1.00 0.00 O ATOM 0 H SER A 25 5.226 -0.444 -26.257 1.00 0.00 H new ATOM 0 HA SER A 25 6.378 1.245 -25.362 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.811 2.362 -27.260 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.130 3.190 -25.873 1.00 0.00 H new ATOM 0 HG SER A 25 5.906 4.352 -26.804 1.00 0.00 H new ATOM 348 N ILE A 26 4.188 0.773 -23.343 1.00 0.00 N ATOM 349 CA ILE A 26 3.623 0.964 -22.031 1.00 0.00 C ATOM 350 C ILE A 26 4.465 0.392 -20.911 1.00 0.00 C ATOM 351 O ILE A 26 5.302 -0.490 -21.099 1.00 0.00 O ATOM 352 CB ILE A 26 2.212 0.373 -21.970 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.315 1.234 -21.123 1.00 0.00 C ATOM 354 CG2 ILE A 26 2.210 -1.031 -21.414 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.136 1.044 -21.496 1.00 0.00 C ATOM 0 H ILE A 26 4.048 -0.158 -23.735 1.00 0.00 H new ATOM 0 HA ILE A 26 3.591 2.042 -21.874 1.00 0.00 H new ATOM 0 HB ILE A 26 1.840 0.340 -22.994 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.458 0.988 -20.071 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.591 2.281 -21.245 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.189 -1.411 -21.389 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.821 -1.674 -22.048 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.619 -1.023 -20.404 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.760 1.679 -20.867 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.281 1.315 -22.542 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.416 0.001 -21.349 1.00 0.00 H new ATOM 367 N CYS A 27 4.214 0.938 -19.740 1.00 0.00 N ATOM 368 CA CYS A 27 4.898 0.571 -18.546 1.00 0.00 C ATOM 369 C CYS A 27 4.021 0.884 -17.339 1.00 0.00 C ATOM 370 O CYS A 27 3.292 1.875 -17.330 1.00 0.00 O ATOM 371 CB CYS A 27 6.180 1.354 -18.488 1.00 0.00 C ATOM 372 SG CYS A 27 7.666 0.368 -18.846 1.00 0.00 S ATOM 0 H CYS A 27 3.511 1.664 -19.602 1.00 0.00 H new ATOM 0 HA CYS A 27 5.118 -0.497 -18.537 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.123 2.178 -19.199 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.280 1.795 -17.496 1.00 0.00 H new ATOM 377 N CYS A 28 4.095 0.040 -16.332 1.00 0.00 N ATOM 378 CA CYS A 28 3.326 0.216 -15.127 1.00 0.00 C ATOM 379 C CYS A 28 4.148 -0.242 -13.945 1.00 0.00 C ATOM 380 O CYS A 28 4.688 -1.352 -13.947 1.00 0.00 O ATOM 381 CB CYS A 28 2.016 -0.567 -15.212 1.00 0.00 C ATOM 382 SG CYS A 28 0.583 0.295 -14.505 1.00 0.00 S ATOM 0 H CYS A 28 4.692 -0.787 -16.330 1.00 0.00 H new ATOM 0 HA CYS A 28 3.078 1.270 -15.003 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.809 -0.794 -16.258 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.142 -1.520 -14.698 1.00 0.00 H new ATOM 387 N GLY A 29 4.229 0.593 -12.932 1.00 0.00 N ATOM 388 CA GLY A 29 4.961 0.248 -11.766 1.00 0.00 C ATOM 389 C GLY A 29 4.042 0.132 -10.566 1.00 0.00 C ATOM 390 O GLY A 29 2.877 0.521 -10.651 1.00 0.00 O ATOM 0 H GLY A 29 3.791 1.514 -12.907 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.481 -0.697 -11.924 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.724 1.003 -11.574 1.00 0.00 H new ATOM 394 N ASP A 30 4.533 -0.392 -9.448 1.00 0.00 N ATOM 395 CA ASP A 30 3.697 -0.528 -8.266 1.00 0.00 C ATOM 396 C ASP A 30 3.477 0.855 -7.673 1.00 0.00 C ATOM 397 O ASP A 30 2.475 1.509 -7.959 1.00 0.00 O ATOM 398 CB ASP A 30 4.351 -1.466 -7.245 1.00 0.00 C ATOM 399 CG ASP A 30 3.533 -2.720 -7.006 1.00 0.00 C ATOM 400 OD1 ASP A 30 3.579 -3.633 -7.857 1.00 0.00 O ATOM 401 OD2 ASP A 30 2.846 -2.791 -5.964 1.00 0.00 O ATOM 0 H ASP A 30 5.491 -0.724 -9.338 1.00 0.00 H new ATOM 0 HA ASP A 30 2.737 -0.966 -8.538 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.345 -1.745 -7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.483 -0.936 -6.302 1.00 0.00 H new ATOM 406 N GLU A 31 4.450 1.323 -6.909 1.00 0.00 N ATOM 407 CA GLU A 31 4.405 2.658 -6.347 1.00 0.00 C ATOM 408 C GLU A 31 4.654 3.668 -7.464 1.00 0.00 C ATOM 409 O GLU A 31 4.748 4.877 -7.241 1.00 0.00 O ATOM 410 CB GLU A 31 5.501 2.797 -5.296 1.00 0.00 C ATOM 411 CG GLU A 31 6.903 2.574 -5.860 1.00 0.00 C ATOM 412 CD GLU A 31 7.854 3.706 -5.525 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.891 4.120 -4.348 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.562 4.178 -6.440 1.00 0.00 O ATOM 0 H GLU A 31 5.286 0.792 -6.664 1.00 0.00 H new ATOM 0 HA GLU A 31 3.432 2.837 -5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.448 3.792 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.320 2.081 -4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.304 1.640 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.842 2.465 -6.943 1.00 0.00 H new ATOM 421 N LEU A 32 4.865 3.116 -8.648 1.00 0.00 N ATOM 422 CA LEU A 32 5.223 3.843 -9.833 1.00 0.00 C ATOM 423 C LEU A 32 4.038 4.287 -10.678 1.00 0.00 C ATOM 424 O LEU A 32 4.134 5.243 -11.450 1.00 0.00 O ATOM 425 CB LEU A 32 6.066 2.858 -10.595 1.00 0.00 C ATOM 426 CG LEU A 32 7.446 3.266 -11.017 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.875 2.352 -12.137 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.532 4.724 -11.429 1.00 0.00 C ATOM 0 H LEU A 32 4.786 2.111 -8.805 1.00 0.00 H new ATOM 0 HA LEU A 32 5.725 4.777 -9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.159 1.960 -9.984 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.515 2.577 -11.493 1.00 0.00 H new ATOM 0 HG LEU A 32 8.119 3.170 -10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.878 2.625 -12.466 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.877 1.321 -11.784 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.181 2.449 -12.972 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.555 4.959 -11.724 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.862 4.905 -12.269 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.241 5.357 -10.590 1.00 0.00 H new ATOM 440 N GLY A 33 2.937 3.589 -10.538 1.00 0.00 N ATOM 441 CA GLY A 33 1.762 3.918 -11.304 1.00 0.00 C ATOM 442 C GLY A 33 1.888 3.442 -12.731 1.00 0.00 C ATOM 443 O GLY A 33 2.737 2.607 -13.035 1.00 0.00 O ATOM 0 H GLY A 33 2.831 2.796 -9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.885 3.464 -10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.606 4.997 -11.290 1.00 0.00 H new ATOM 447 N CYS A 34 1.056 3.958 -13.617 1.00 0.00 N ATOM 448 CA CYS A 34 1.110 3.543 -15.016 1.00 0.00 C ATOM 449 C CYS A 34 1.594 4.656 -15.943 1.00 0.00 C ATOM 450 O CYS A 34 1.158 5.803 -15.840 1.00 0.00 O ATOM 451 CB CYS A 34 -0.248 3.034 -15.465 1.00 0.00 C ATOM 452 SG CYS A 34 -0.209 1.317 -16.067 1.00 0.00 S ATOM 0 H CYS A 34 0.343 4.655 -13.403 1.00 0.00 H new ATOM 0 HA CYS A 34 1.841 2.737 -15.082 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.948 3.104 -14.633 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.627 3.681 -16.256 1.00 0.00 H new ATOM 457 N PHE A 35 2.459 4.284 -16.887 1.00 0.00 N ATOM 458 CA PHE A 35 2.976 5.222 -17.885 1.00 0.00 C ATOM 459 C PHE A 35 2.875 4.623 -19.281 1.00 0.00 C ATOM 460 O PHE A 35 3.458 3.573 -19.547 1.00 0.00 O ATOM 461 CB PHE A 35 4.443 5.588 -17.645 1.00 0.00 C ATOM 462 CG PHE A 35 4.875 5.618 -16.217 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.940 4.454 -15.475 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.240 6.813 -15.622 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.358 4.480 -14.163 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.660 6.846 -14.311 1.00 0.00 C ATOM 467 CZ PHE A 35 5.718 5.680 -13.584 1.00 0.00 C ATOM 0 H PHE A 35 2.818 3.334 -16.982 1.00 0.00 H new ATOM 0 HA PHE A 35 2.367 6.121 -17.796 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.069 4.874 -18.180 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.631 6.568 -18.083 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.660 3.515 -15.928 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.195 7.729 -16.192 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.404 3.566 -13.590 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.943 7.784 -13.856 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.047 5.703 -12.556 1.00 0.00 H new ATOM 477 N VAL A 36 2.197 5.309 -20.191 1.00 0.00 N ATOM 478 CA VAL A 36 2.114 4.829 -21.560 1.00 0.00 C ATOM 479 C VAL A 36 2.936 5.711 -22.472 1.00 0.00 C ATOM 480 O VAL A 36 2.674 6.907 -22.618 1.00 0.00 O ATOM 481 CB VAL A 36 0.678 4.751 -22.100 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.636 3.868 -23.342 1.00 0.00 C ATOM 483 CG2 VAL A 36 -0.273 4.231 -21.037 1.00 0.00 C ATOM 0 H VAL A 36 1.705 6.184 -20.010 1.00 0.00 H new ATOM 0 HA VAL A 36 2.507 3.813 -21.545 1.00 0.00 H new ATOM 0 HB VAL A 36 0.354 5.755 -22.373 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.386 3.818 -23.718 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.285 4.289 -24.110 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.978 2.865 -23.087 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.283 4.185 -21.444 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.039 3.234 -20.726 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.258 4.900 -20.177 1.00 0.00 H new ATOM 493 N GLY A 37 3.946 5.110 -23.073 1.00 0.00 N ATOM 494 CA GLY A 37 4.829 5.842 -23.963 1.00 0.00 C ATOM 495 C GLY A 37 5.517 7.006 -23.266 1.00 0.00 C ATOM 496 O GLY A 37 6.106 7.869 -23.919 1.00 0.00 O ATOM 0 H GLY A 37 4.175 4.122 -22.962 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.583 5.163 -24.362 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.257 6.217 -24.812 1.00 0.00 H new ATOM 500 N THR A 38 5.436 7.032 -21.938 1.00 0.00 N ATOM 501 CA THR A 38 6.047 8.094 -21.145 1.00 0.00 C ATOM 502 C THR A 38 7.512 7.777 -20.847 1.00 0.00 C ATOM 503 O THR A 38 8.010 6.713 -21.207 1.00 0.00 O ATOM 504 CB THR A 38 5.274 8.274 -19.834 1.00 0.00 C ATOM 505 OG1 THR A 38 3.883 8.377 -20.083 1.00 0.00 O ATOM 506 CG2 THR A 38 5.684 9.500 -19.047 1.00 0.00 C ATOM 0 H THR A 38 4.950 6.325 -21.386 1.00 0.00 H new ATOM 0 HA THR A 38 6.007 9.020 -21.719 1.00 0.00 H new ATOM 0 HB THR A 38 5.513 7.390 -19.243 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.406 8.490 -19.234 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.093 9.560 -18.133 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.742 9.432 -18.792 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.513 10.393 -19.649 1.00 0.00 H new ATOM 514 N ALA A 39 8.192 8.700 -20.170 1.00 0.00 N ATOM 515 CA ALA A 39 9.591 8.516 -19.807 1.00 0.00 C ATOM 516 C ALA A 39 9.775 7.267 -18.956 1.00 0.00 C ATOM 517 O ALA A 39 10.599 6.413 -19.262 1.00 0.00 O ATOM 518 CB ALA A 39 10.114 9.740 -19.071 1.00 0.00 C ATOM 0 H ALA A 39 7.792 9.586 -19.862 1.00 0.00 H new ATOM 0 HA ALA A 39 10.164 8.388 -20.725 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.160 9.586 -18.807 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.027 10.616 -19.714 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.530 9.896 -18.164 1.00 0.00 H new ATOM 524 N GLU A 40 8.993 7.157 -17.894 1.00 0.00 N ATOM 525 CA GLU A 40 9.058 6.000 -17.010 1.00 0.00 C ATOM 526 C GLU A 40 8.555 4.731 -17.704 1.00 0.00 C ATOM 527 O GLU A 40 8.327 3.711 -17.051 1.00 0.00 O ATOM 528 CB GLU A 40 8.234 6.269 -15.756 1.00 0.00 C ATOM 529 CG GLU A 40 9.076 6.564 -14.525 1.00 0.00 C ATOM 530 CD GLU A 40 9.742 7.925 -14.586 1.00 0.00 C ATOM 531 OE1 GLU A 40 10.387 8.224 -15.612 1.00 0.00 O ATOM 532 OE2 GLU A 40 9.620 8.690 -13.606 1.00 0.00 O ATOM 0 H GLU A 40 8.303 7.857 -17.621 1.00 0.00 H new ATOM 0 HA GLU A 40 10.101 5.838 -16.739 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.570 7.113 -15.942 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.602 5.404 -15.555 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.446 6.512 -13.637 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.840 5.794 -14.419 1.00 0.00 H new ATOM 539 N ALA A 41 8.324 4.810 -19.019 1.00 0.00 N ATOM 540 CA ALA A 41 7.790 3.683 -19.777 1.00 0.00 C ATOM 541 C ALA A 41 8.617 3.324 -21.009 1.00 0.00 C ATOM 542 O ALA A 41 8.326 2.349 -21.705 1.00 0.00 O ATOM 543 CB ALA A 41 6.403 4.028 -20.232 1.00 0.00 C ATOM 0 H ALA A 41 8.500 5.645 -19.577 1.00 0.00 H new ATOM 0 HA ALA A 41 7.809 2.820 -19.112 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.989 3.195 -20.801 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.773 4.223 -19.364 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.437 4.916 -20.862 1.00 0.00 H new ATOM 549 N LEU A 42 9.659 4.086 -21.252 1.00 0.00 N ATOM 550 CA LEU A 42 10.553 3.835 -22.365 1.00 0.00 C ATOM 551 C LEU A 42 11.248 2.483 -22.226 1.00 0.00 C ATOM 552 O LEU A 42 11.886 1.999 -23.164 1.00 0.00 O ATOM 553 CB LEU A 42 11.600 4.951 -22.444 1.00 0.00 C ATOM 554 CG LEU A 42 12.286 5.346 -21.120 1.00 0.00 C ATOM 555 CD1 LEU A 42 12.038 4.325 -20.009 1.00 0.00 C ATOM 556 CD2 LEU A 42 13.783 5.533 -21.339 1.00 0.00 C ATOM 0 H LEU A 42 9.912 4.896 -20.686 1.00 0.00 H new ATOM 0 HA LEU A 42 9.961 3.817 -23.280 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.372 4.645 -23.150 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.122 5.839 -22.859 1.00 0.00 H new ATOM 0 HG LEU A 42 11.845 6.289 -20.796 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.542 4.649 -19.098 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.967 4.243 -19.822 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.428 3.354 -20.314 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.256 5.812 -20.398 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.217 4.601 -21.702 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.948 6.320 -22.075 1.00 0.00 H new ATOM 568 N ARG A 43 11.128 1.883 -21.043 1.00 0.00 N ATOM 569 CA ARG A 43 11.748 0.599 -20.740 1.00 0.00 C ATOM 570 C ARG A 43 11.491 -0.450 -21.807 1.00 0.00 C ATOM 571 O ARG A 43 12.179 -1.468 -21.857 1.00 0.00 O ATOM 572 CB ARG A 43 11.220 0.079 -19.422 1.00 0.00 C ATOM 573 CG ARG A 43 12.285 -0.062 -18.351 1.00 0.00 C ATOM 574 CD ARG A 43 12.955 1.269 -18.053 1.00 0.00 C ATOM 575 NE ARG A 43 12.140 2.111 -17.181 1.00 0.00 N ATOM 576 CZ ARG A 43 12.390 3.397 -16.940 1.00 0.00 C ATOM 577 NH1 ARG A 43 13.431 3.995 -17.504 1.00 0.00 N ATOM 578 NH2 ARG A 43 11.592 4.090 -16.143 1.00 0.00 N ATOM 0 H ARG A 43 10.596 2.277 -20.267 1.00 0.00 H new ATOM 0 HA ARG A 43 12.823 0.774 -20.696 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.442 0.752 -19.062 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.751 -0.891 -19.586 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.836 -0.457 -17.440 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.035 -0.784 -18.675 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.922 1.090 -17.583 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.147 1.795 -18.988 1.00 0.00 H new ATOM 0 HE ARG A 43 11.329 1.688 -16.729 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.045 3.470 -18.126 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.617 4.980 -17.316 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.785 3.639 -15.713 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.785 5.075 -15.959 1.00 0.00 H new ATOM 592 N CYS A 44 10.495 -0.219 -22.641 1.00 0.00 N ATOM 593 CA CYS A 44 10.157 -1.174 -23.679 1.00 0.00 C ATOM 594 C CYS A 44 11.251 -1.250 -24.729 1.00 0.00 C ATOM 595 O CYS A 44 11.266 -2.156 -25.561 1.00 0.00 O ATOM 596 CB CYS A 44 8.819 -0.831 -24.291 1.00 0.00 C ATOM 597 SG CYS A 44 7.426 -1.682 -23.484 1.00 0.00 S ATOM 0 H CYS A 44 9.909 0.616 -22.621 1.00 0.00 H new ATOM 0 HA CYS A 44 10.077 -2.163 -23.228 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.664 0.246 -24.230 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.833 -1.092 -25.349 1.00 0.00 H new ATOM 602 N GLN A 45 12.199 -0.325 -24.652 1.00 0.00 N ATOM 603 CA GLN A 45 13.327 -0.326 -25.551 1.00 0.00 C ATOM 604 C GLN A 45 14.144 -1.596 -25.318 1.00 0.00 C ATOM 605 O GLN A 45 14.920 -2.038 -26.168 1.00 0.00 O ATOM 606 CB GLN A 45 14.182 0.907 -25.299 1.00 0.00 C ATOM 607 CG GLN A 45 14.033 1.983 -26.362 1.00 0.00 C ATOM 608 CD GLN A 45 15.051 3.096 -26.210 1.00 0.00 C ATOM 609 OE1 GLN A 45 15.878 3.321 -27.093 1.00 0.00 O ATOM 610 NE2 GLN A 45 14.994 3.799 -25.084 1.00 0.00 N ATOM 0 H GLN A 45 12.202 0.434 -23.971 1.00 0.00 H new ATOM 0 HA GLN A 45 12.982 -0.304 -26.585 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.919 1.329 -24.329 1.00 0.00 H new ATOM 0 HB3 GLN A 45 15.228 0.607 -25.243 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.138 1.531 -27.348 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.029 2.404 -26.310 1.00 0.00 H new ATOM 0 HE21 GLN A 45 14.291 3.577 -24.379 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.653 4.561 -24.924 1.00 0.00 H new ATOM 619 N GLU A 46 13.902 -2.196 -24.155 1.00 0.00 N ATOM 620 CA GLU A 46 14.537 -3.443 -23.772 1.00 0.00 C ATOM 621 C GLU A 46 13.789 -4.595 -24.430 1.00 0.00 C ATOM 622 O GLU A 46 14.326 -5.690 -24.616 1.00 0.00 O ATOM 623 CB GLU A 46 14.552 -3.598 -22.243 1.00 0.00 C ATOM 624 CG GLU A 46 13.212 -3.994 -21.635 1.00 0.00 C ATOM 625 CD GLU A 46 12.987 -5.492 -21.644 1.00 0.00 C ATOM 626 OE1 GLU A 46 13.983 -6.242 -21.575 1.00 0.00 O ATOM 627 OE2 GLU A 46 11.813 -5.916 -21.709 1.00 0.00 O ATOM 0 H GLU A 46 13.259 -1.827 -23.455 1.00 0.00 H new ATOM 0 HA GLU A 46 15.574 -3.446 -24.109 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.295 -4.349 -21.974 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.875 -2.657 -21.798 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.161 -3.629 -20.609 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.409 -3.507 -22.187 1.00 0.00 H new ATOM 634 N GLU A 47 12.542 -4.322 -24.813 1.00 0.00 N ATOM 635 CA GLU A 47 11.713 -5.315 -25.481 1.00 0.00 C ATOM 636 C GLU A 47 12.122 -5.473 -26.942 1.00 0.00 C ATOM 637 O GLU A 47 11.551 -6.285 -27.671 1.00 0.00 O ATOM 638 CB GLU A 47 10.236 -4.923 -25.391 1.00 0.00 C ATOM 639 CG GLU A 47 9.531 -5.483 -24.167 1.00 0.00 C ATOM 640 CD GLU A 47 8.142 -6.001 -24.482 1.00 0.00 C ATOM 641 OE1 GLU A 47 7.193 -5.190 -24.493 1.00 0.00 O ATOM 642 OE2 GLU A 47 8.003 -7.221 -24.718 1.00 0.00 O ATOM 0 H GLU A 47 12.087 -3.420 -24.670 1.00 0.00 H new ATOM 0 HA GLU A 47 11.859 -6.270 -24.977 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.157 -3.836 -25.379 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.721 -5.270 -26.287 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.129 -6.291 -23.745 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.461 -4.707 -23.405 1.00 0.00 H new ATOM 649 N ASN A 48 13.118 -4.695 -27.368 1.00 0.00 N ATOM 650 CA ASN A 48 13.596 -4.758 -28.733 1.00 0.00 C ATOM 651 C ASN A 48 14.451 -6.001 -28.961 1.00 0.00 C ATOM 652 O ASN A 48 14.875 -6.274 -30.084 1.00 0.00 O ATOM 653 CB ASN A 48 14.401 -3.500 -29.071 1.00 0.00 C ATOM 654 CG ASN A 48 13.708 -2.632 -30.103 1.00 0.00 C ATOM 655 OD1 ASN A 48 14.099 -2.604 -31.270 1.00 0.00 O ATOM 656 ND2 ASN A 48 12.673 -1.919 -29.676 1.00 0.00 N ATOM 0 H ASN A 48 13.604 -4.017 -26.781 1.00 0.00 H new ATOM 0 HA ASN A 48 12.728 -4.816 -29.390 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.563 -2.920 -28.162 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.383 -3.790 -29.444 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.166 -1.316 -30.325 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.384 -1.974 -28.699 1.00 0.00 H new ATOM 663 N TYR A 49 14.706 -6.755 -27.891 1.00 0.00 N ATOM 664 CA TYR A 49 15.511 -7.971 -27.988 1.00 0.00 C ATOM 665 C TYR A 49 14.843 -9.140 -27.265 1.00 0.00 C ATOM 666 O TYR A 49 15.432 -10.213 -27.128 1.00 0.00 O ATOM 667 CB TYR A 49 16.906 -7.729 -27.409 1.00 0.00 C ATOM 668 CG TYR A 49 17.583 -6.492 -27.956 1.00 0.00 C ATOM 669 CD1 TYR A 49 17.838 -6.362 -29.316 1.00 0.00 C ATOM 670 CD2 TYR A 49 17.962 -5.455 -27.115 1.00 0.00 C ATOM 671 CE1 TYR A 49 18.454 -5.233 -29.820 1.00 0.00 C ATOM 672 CE2 TYR A 49 18.578 -4.322 -27.612 1.00 0.00 C ATOM 673 CZ TYR A 49 18.821 -4.216 -28.964 1.00 0.00 C ATOM 674 OH TYR A 49 19.435 -3.090 -29.463 1.00 0.00 O ATOM 0 H TYR A 49 14.368 -6.546 -26.952 1.00 0.00 H new ATOM 0 HA TYR A 49 15.598 -8.230 -29.043 1.00 0.00 H new ATOM 0 HB2 TYR A 49 16.830 -7.642 -26.325 1.00 0.00 H new ATOM 0 HB3 TYR A 49 17.532 -8.597 -27.616 1.00 0.00 H new ATOM 0 HD1 TYR A 49 17.550 -7.156 -29.989 1.00 0.00 H new ATOM 0 HD2 TYR A 49 17.772 -5.535 -26.055 1.00 0.00 H new ATOM 0 HE1 TYR A 49 18.647 -5.147 -30.879 1.00 0.00 H new ATOM 0 HE2 TYR A 49 18.867 -3.524 -26.944 1.00 0.00 H new ATOM 0 HH TYR A 49 19.627 -2.470 -28.729 1.00 0.00 H new ATOM 684 N LEU A 50 13.610 -8.933 -26.807 1.00 0.00 N ATOM 685 CA LEU A 50 12.869 -9.976 -26.105 1.00 0.00 C ATOM 686 C LEU A 50 11.381 -9.927 -26.459 1.00 0.00 C ATOM 687 O LEU A 50 10.576 -9.390 -25.697 1.00 0.00 O ATOM 688 CB LEU A 50 13.052 -9.823 -24.592 1.00 0.00 C ATOM 689 CG LEU A 50 14.506 -9.811 -24.114 1.00 0.00 C ATOM 690 CD1 LEU A 50 14.650 -8.957 -22.862 1.00 0.00 C ATOM 691 CD2 LEU A 50 14.994 -11.229 -23.854 1.00 0.00 C ATOM 0 H LEU A 50 13.104 -8.053 -26.910 1.00 0.00 H new ATOM 0 HA LEU A 50 13.263 -10.942 -26.419 1.00 0.00 H new ATOM 0 HB2 LEU A 50 12.574 -8.896 -24.275 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.528 -10.639 -24.094 1.00 0.00 H new ATOM 0 HG LEU A 50 15.123 -9.374 -24.899 1.00 0.00 H new ATOM 0 HD11 LEU A 50 15.690 -8.960 -22.537 1.00 0.00 H new ATOM 0 HD12 LEU A 50 14.342 -7.935 -23.081 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.021 -9.364 -22.070 1.00 0.00 H new ATOM 0 HD21 LEU A 50 16.030 -11.201 -23.515 1.00 0.00 H new ATOM 0 HD22 LEU A 50 14.373 -11.692 -23.087 1.00 0.00 H new ATOM 0 HD23 LEU A 50 14.929 -11.811 -24.774 1.00 0.00 H new ATOM 703 N PRO A 51 10.997 -10.472 -27.631 1.00 0.00 N ATOM 704 CA PRO A 51 9.597 -10.479 -28.095 1.00 0.00 C ATOM 705 C PRO A 51 8.621 -11.067 -27.075 1.00 0.00 C ATOM 706 O PRO A 51 8.948 -11.218 -25.900 1.00 0.00 O ATOM 707 CB PRO A 51 9.657 -11.368 -29.336 1.00 0.00 C ATOM 708 CG PRO A 51 11.024 -11.132 -29.849 1.00 0.00 C ATOM 709 CD PRO A 51 11.889 -11.109 -28.621 1.00 0.00 C ATOM 0 HA PRO A 51 9.229 -9.469 -28.273 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.494 -12.417 -29.089 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.898 -11.091 -30.068 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.331 -11.920 -30.536 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.086 -10.191 -30.395 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.190 -12.111 -28.315 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.803 -10.535 -28.776 1.00 0.00 H new ATOM 717 N SER A 52 7.420 -11.406 -27.551 1.00 0.00 N ATOM 718 CA SER A 52 6.372 -11.988 -26.708 1.00 0.00 C ATOM 719 C SER A 52 5.707 -10.932 -25.821 1.00 0.00 C ATOM 720 O SER A 52 6.306 -9.899 -25.516 1.00 0.00 O ATOM 721 CB SER A 52 6.935 -13.124 -25.840 1.00 0.00 C ATOM 722 OG SER A 52 5.898 -13.967 -25.372 1.00 0.00 O ATOM 0 H SER A 52 7.147 -11.286 -28.527 1.00 0.00 H new ATOM 0 HA SER A 52 5.613 -12.396 -27.375 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.650 -13.708 -26.419 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.478 -12.704 -24.993 1.00 0.00 H new ATOM 0 HG SER A 52 5.798 -13.855 -24.404 1.00 0.00 H new ATOM 728 N PRO A 53 4.453 -11.184 -25.395 1.00 0.00 N ATOM 729 CA PRO A 53 3.690 -10.271 -24.548 1.00 0.00 C ATOM 730 C PRO A 53 3.906 -10.547 -23.058 1.00 0.00 C ATOM 731 O PRO A 53 4.530 -9.752 -22.356 1.00 0.00 O ATOM 732 CB PRO A 53 2.252 -10.566 -24.961 1.00 0.00 C ATOM 733 CG PRO A 53 2.248 -12.024 -25.288 1.00 0.00 C ATOM 734 CD PRO A 53 3.656 -12.386 -25.717 1.00 0.00 C ATOM 0 HA PRO A 53 3.982 -9.229 -24.676 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.553 -10.338 -24.156 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.955 -9.966 -25.821 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.945 -12.613 -24.422 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.535 -12.239 -26.084 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.023 -13.262 -25.182 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.701 -12.620 -26.781 1.00 0.00 H new ATOM 742 N CYS A 54 3.320 -11.650 -22.586 1.00 0.00 N ATOM 743 CA CYS A 54 3.373 -12.073 -21.179 1.00 0.00 C ATOM 744 C CYS A 54 2.801 -11.023 -20.238 1.00 0.00 C ATOM 745 O CYS A 54 2.772 -9.838 -20.561 1.00 0.00 O ATOM 746 CB CYS A 54 4.781 -12.528 -20.720 1.00 0.00 C ATOM 747 SG CYS A 54 6.115 -11.266 -20.719 1.00 0.00 S ATOM 0 H CYS A 54 2.786 -12.286 -23.178 1.00 0.00 H new ATOM 0 HA CYS A 54 2.733 -12.954 -21.125 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.694 -12.927 -19.710 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.096 -13.351 -21.362 1.00 0.00 H new ATOM 752 N GLN A 55 2.341 -11.477 -19.074 1.00 0.00 N ATOM 753 CA GLN A 55 1.755 -10.598 -18.060 1.00 0.00 C ATOM 754 C GLN A 55 0.773 -9.600 -18.692 1.00 0.00 C ATOM 755 O GLN A 55 -0.395 -9.933 -18.928 1.00 0.00 O ATOM 756 CB GLN A 55 2.877 -9.906 -17.275 1.00 0.00 C ATOM 757 CG GLN A 55 2.428 -8.724 -16.435 1.00 0.00 C ATOM 758 CD GLN A 55 1.904 -9.137 -15.074 1.00 0.00 C ATOM 759 OE1 GLN A 55 2.653 -9.630 -14.230 1.00 0.00 O ATOM 760 NE2 GLN A 55 0.610 -8.938 -14.855 1.00 0.00 N ATOM 0 H GLN A 55 2.363 -12.461 -18.806 1.00 0.00 H new ATOM 0 HA GLN A 55 1.171 -11.192 -17.357 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.351 -10.639 -16.622 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.638 -9.567 -17.978 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.265 -8.038 -16.304 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.650 -8.179 -16.969 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.027 -8.526 -15.584 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.199 -9.197 -13.958 1.00 0.00 H new ATOM 769 N SER A 56 1.244 -8.393 -18.987 1.00 0.00 N ATOM 770 CA SER A 56 0.417 -7.360 -19.613 1.00 0.00 C ATOM 771 C SER A 56 -0.955 -7.211 -18.949 1.00 0.00 C ATOM 772 O SER A 56 -1.892 -7.951 -19.253 1.00 0.00 O ATOM 773 CB SER A 56 0.234 -7.665 -21.099 1.00 0.00 C ATOM 774 OG SER A 56 -0.390 -8.923 -21.292 1.00 0.00 O ATOM 0 H SER A 56 2.204 -8.101 -18.801 1.00 0.00 H new ATOM 0 HA SER A 56 0.944 -6.415 -19.483 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.368 -6.883 -21.562 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.204 -7.657 -21.596 1.00 0.00 H new ATOM 0 HG SER A 56 -0.798 -9.218 -20.451 1.00 0.00 H new ATOM 780 N GLY A 57 -1.071 -6.227 -18.067 1.00 0.00 N ATOM 781 CA GLY A 57 -2.333 -5.952 -17.392 1.00 0.00 C ATOM 782 C GLY A 57 -2.865 -7.104 -16.561 1.00 0.00 C ATOM 783 O GLY A 57 -2.815 -8.262 -16.965 1.00 0.00 O ATOM 0 H GLY A 57 -0.307 -5.606 -17.802 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.203 -5.084 -16.746 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.080 -5.684 -18.140 1.00 0.00 H new ATOM 787 N GLN A 58 -3.368 -6.752 -15.386 1.00 0.00 N ATOM 788 CA GLN A 58 -3.925 -7.689 -14.435 1.00 0.00 C ATOM 789 C GLN A 58 -5.423 -7.447 -14.236 1.00 0.00 C ATOM 790 O GLN A 58 -5.991 -6.579 -14.879 1.00 0.00 O ATOM 791 CB GLN A 58 -3.222 -7.571 -13.112 1.00 0.00 C ATOM 792 CG GLN A 58 -2.193 -8.659 -12.897 1.00 0.00 C ATOM 793 CD GLN A 58 -2.585 -9.622 -11.793 1.00 0.00 C ATOM 794 OE1 GLN A 58 -3.510 -10.418 -11.945 1.00 0.00 O ATOM 795 NE2 GLN A 58 -1.880 -9.550 -10.675 1.00 0.00 N ATOM 0 H GLN A 58 -3.398 -5.784 -15.065 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.782 -8.693 -14.836 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.734 -6.598 -13.050 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.958 -7.610 -12.309 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.056 -9.213 -13.826 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.233 -8.203 -12.653 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.121 -8.874 -10.593 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.096 -10.171 -9.895 1.00 0.00 H new ATOM 804 N LYS A 59 -6.056 -8.317 -13.432 1.00 0.00 N ATOM 805 CA LYS A 59 -7.517 -8.334 -13.212 1.00 0.00 C ATOM 806 C LYS A 59 -8.230 -7.098 -13.802 1.00 0.00 C ATOM 807 O LYS A 59 -8.273 -6.000 -13.231 1.00 0.00 O ATOM 808 CB LYS A 59 -7.748 -8.423 -11.688 1.00 0.00 C ATOM 809 CG LYS A 59 -9.148 -8.051 -11.210 1.00 0.00 C ATOM 810 CD LYS A 59 -9.117 -7.374 -9.846 1.00 0.00 C ATOM 811 CE LYS A 59 -9.545 -8.324 -8.738 1.00 0.00 C ATOM 812 NZ LYS A 59 -10.916 -8.022 -8.243 1.00 0.00 N ATOM 0 H LYS A 59 -5.563 -9.040 -12.908 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.946 -9.191 -13.730 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.532 -9.441 -11.365 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.029 -7.772 -11.191 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.615 -7.386 -11.936 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.765 -8.948 -11.157 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.110 -7.009 -9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.775 -6.505 -9.856 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.510 -9.349 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.838 -8.258 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.168 -8.692 -7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.944 -7.052 -7.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.595 -8.110 -9.026 1.00 0.00 H new ATOM 826 N PRO A 60 -8.708 -7.308 -15.053 1.00 0.00 N ATOM 827 CA PRO A 60 -9.364 -6.309 -15.905 1.00 0.00 C ATOM 828 C PRO A 60 -10.525 -5.512 -15.304 1.00 0.00 C ATOM 829 O PRO A 60 -11.107 -5.874 -14.279 1.00 0.00 O ATOM 830 CB PRO A 60 -9.911 -7.132 -17.073 1.00 0.00 C ATOM 831 CG PRO A 60 -8.991 -8.283 -17.189 1.00 0.00 C ATOM 832 CD PRO A 60 -8.517 -8.578 -15.796 1.00 0.00 C ATOM 0 HA PRO A 60 -8.627 -5.540 -16.136 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.933 -7.460 -16.881 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.931 -6.548 -17.993 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.499 -9.146 -17.619 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.153 -8.047 -17.844 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.090 -9.389 -15.347 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.471 -8.886 -15.791 1.00 0.00 H new ATOM 840 N CYS A 61 -10.852 -4.433 -16.020 1.00 0.00 N ATOM 841 CA CYS A 61 -11.950 -3.547 -15.659 1.00 0.00 C ATOM 842 C CYS A 61 -12.461 -2.730 -16.827 1.00 0.00 C ATOM 843 O CYS A 61 -11.829 -2.610 -17.884 1.00 0.00 O ATOM 844 CB CYS A 61 -11.596 -2.603 -14.523 1.00 0.00 C ATOM 845 SG CYS A 61 -9.929 -1.888 -14.632 1.00 0.00 S ATOM 0 H CYS A 61 -10.359 -4.153 -16.868 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.741 -4.220 -15.329 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.325 -1.793 -14.500 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.687 -3.140 -13.579 1.00 0.00 H new ATOM 850 N GLY A 62 -13.655 -2.209 -16.634 1.00 0.00 N ATOM 851 CA GLY A 62 -14.351 -1.444 -17.631 1.00 0.00 C ATOM 852 C GLY A 62 -14.052 0.039 -17.629 1.00 0.00 C ATOM 853 O GLY A 62 -14.827 0.828 -18.168 1.00 0.00 O ATOM 0 H GLY A 62 -14.173 -2.311 -15.761 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.104 -1.847 -18.613 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.423 -1.583 -17.490 1.00 0.00 H new ATOM 857 N SER A 63 -12.899 0.412 -17.099 1.00 0.00 N ATOM 858 CA SER A 63 -12.477 1.784 -17.124 1.00 0.00 C ATOM 859 C SER A 63 -11.391 1.961 -18.185 1.00 0.00 C ATOM 860 O SER A 63 -10.447 2.731 -18.018 1.00 0.00 O ATOM 861 CB SER A 63 -11.996 2.233 -15.751 1.00 0.00 C ATOM 862 OG SER A 63 -11.976 3.647 -15.649 1.00 0.00 O ATOM 0 H SER A 63 -12.244 -0.226 -16.647 1.00 0.00 H new ATOM 0 HA SER A 63 -13.326 2.416 -17.385 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.649 1.820 -14.982 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.997 1.839 -15.567 1.00 0.00 H new ATOM 0 HG SER A 63 -11.273 3.920 -15.024 1.00 0.00 H new ATOM 868 N GLY A 64 -11.561 1.231 -19.293 1.00 0.00 N ATOM 869 CA GLY A 64 -10.634 1.297 -20.404 1.00 0.00 C ATOM 870 C GLY A 64 -9.542 0.227 -20.387 1.00 0.00 C ATOM 871 O GLY A 64 -8.601 0.296 -21.177 1.00 0.00 O ATOM 0 H GLY A 64 -12.340 0.587 -19.434 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.195 1.209 -21.334 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.162 2.279 -20.408 1.00 0.00 H new ATOM 875 N GLY A 65 -9.647 -0.725 -19.467 1.00 0.00 N ATOM 876 CA GLY A 65 -8.641 -1.751 -19.350 1.00 0.00 C ATOM 877 C GLY A 65 -8.552 -2.414 -18.011 1.00 0.00 C ATOM 878 O GLY A 65 -9.560 -2.700 -17.372 1.00 0.00 O ATOM 0 H GLY A 65 -10.415 -0.800 -18.800 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.836 -2.515 -20.102 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.671 -1.313 -19.585 1.00 0.00 H new ATOM 882 N ARG A 66 -7.344 -2.792 -17.660 1.00 0.00 N ATOM 883 CA ARG A 66 -7.130 -3.555 -16.462 1.00 0.00 C ATOM 884 C ARG A 66 -6.836 -2.682 -15.275 1.00 0.00 C ATOM 885 O ARG A 66 -6.778 -1.465 -15.395 1.00 0.00 O ATOM 886 CB ARG A 66 -5.974 -4.541 -16.674 1.00 0.00 C ATOM 887 CG ARG A 66 -5.973 -5.222 -18.033 1.00 0.00 C ATOM 888 CD ARG A 66 -7.197 -6.093 -18.218 1.00 0.00 C ATOM 889 NE ARG A 66 -6.978 -7.153 -19.204 1.00 0.00 N ATOM 890 CZ ARG A 66 -6.653 -6.931 -20.472 1.00 0.00 C ATOM 891 NH1 ARG A 66 -6.510 -5.691 -20.921 1.00 0.00 N ATOM 892 NH2 ARG A 66 -6.473 -7.953 -21.298 1.00 0.00 N ATOM 0 H ARG A 66 -6.498 -2.581 -18.190 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.053 -4.096 -16.252 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.031 -4.010 -16.546 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.017 -5.305 -15.898 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.940 -4.468 -18.819 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.074 -5.830 -18.136 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.471 -6.539 -17.262 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.037 -5.474 -18.533 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.081 -8.121 -18.898 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.650 -4.901 -20.291 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.260 -5.527 -21.896 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.584 -8.909 -20.959 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.223 -7.783 -22.272 1.00 0.00 H new ATOM 906 N CYS A 67 -6.576 -3.308 -14.136 1.00 0.00 N ATOM 907 CA CYS A 67 -6.234 -2.575 -12.945 1.00 0.00 C ATOM 908 C CYS A 67 -4.779 -2.123 -13.018 1.00 0.00 C ATOM 909 O CYS A 67 -3.991 -2.380 -12.108 1.00 0.00 O ATOM 910 CB CYS A 67 -6.488 -3.436 -11.715 1.00 0.00 C ATOM 911 SG CYS A 67 -6.156 -2.604 -10.146 1.00 0.00 S ATOM 0 H CYS A 67 -6.598 -4.321 -14.021 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.861 -1.687 -12.868 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.527 -3.767 -11.725 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.868 -4.330 -11.777 1.00 0.00 H new ATOM 916 N ALA A 68 -4.433 -1.504 -14.145 1.00 0.00 N ATOM 917 CA ALA A 68 -3.072 -1.042 -14.442 1.00 0.00 C ATOM 918 C ALA A 68 -2.185 -0.796 -13.217 1.00 0.00 C ATOM 919 O ALA A 68 -1.176 -1.482 -13.046 1.00 0.00 O ATOM 920 CB ALA A 68 -3.114 0.206 -15.299 1.00 0.00 C ATOM 0 H ALA A 68 -5.099 -1.305 -14.892 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.608 -1.869 -14.980 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.097 0.536 -15.511 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.627 -0.013 -16.236 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.648 0.994 -14.768 1.00 0.00 H new ATOM 926 N ALA A 69 -2.503 0.209 -12.390 1.00 0.00 N ATOM 927 CA ALA A 69 -1.677 0.556 -11.228 1.00 0.00 C ATOM 928 C ALA A 69 -2.470 1.413 -10.223 1.00 0.00 C ATOM 929 O ALA A 69 -3.315 2.207 -10.623 1.00 0.00 O ATOM 930 CB ALA A 69 -0.479 1.367 -11.669 1.00 0.00 C ATOM 0 H ALA A 69 -3.329 0.797 -12.506 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.366 -0.377 -10.758 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.129 1.620 -10.800 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.117 0.784 -12.371 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.818 2.282 -12.154 1.00 0.00 H new ATOM 936 N ALA A 70 -2.186 1.206 -8.923 1.00 0.00 N ATOM 937 CA ALA A 70 -2.876 1.913 -7.805 1.00 0.00 C ATOM 938 C ALA A 70 -4.171 2.524 -8.262 1.00 0.00 C ATOM 939 O ALA A 70 -4.306 3.747 -8.305 1.00 0.00 O ATOM 940 CB ALA A 70 -2.062 3.044 -7.223 1.00 0.00 C ATOM 0 H ALA A 70 -1.474 0.547 -8.609 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.034 1.143 -7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.621 3.516 -6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.122 2.653 -6.834 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.855 3.780 -7.999 1.00 0.00 H new ATOM 946 N GLY A 71 -5.078 1.687 -8.676 1.00 0.00 N ATOM 947 CA GLY A 71 -6.307 2.182 -9.198 1.00 0.00 C ATOM 948 C GLY A 71 -6.036 2.968 -10.463 1.00 0.00 C ATOM 949 O GLY A 71 -5.974 4.192 -10.475 1.00 0.00 O ATOM 0 H GLY A 71 -4.987 0.671 -8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.985 1.355 -9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.799 2.817 -8.461 1.00 0.00 H new ATOM 953 N ILE A 72 -5.888 2.226 -11.522 1.00 0.00 N ATOM 954 CA ILE A 72 -5.646 2.753 -12.834 1.00 0.00 C ATOM 955 C ILE A 72 -6.105 1.725 -13.803 1.00 0.00 C ATOM 956 O ILE A 72 -5.422 0.738 -14.055 1.00 0.00 O ATOM 957 CB ILE A 72 -4.158 3.103 -13.068 1.00 0.00 C ATOM 958 CG1 ILE A 72 -3.870 4.460 -12.489 1.00 0.00 C ATOM 959 CG2 ILE A 72 -3.738 3.062 -14.540 1.00 0.00 C ATOM 960 CD1 ILE A 72 -3.953 5.593 -13.486 1.00 0.00 C ATOM 0 H ILE A 72 -5.934 1.207 -11.496 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.190 3.689 -12.959 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.571 2.334 -12.565 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.573 4.653 -11.679 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.872 4.450 -12.050 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.682 3.319 -14.624 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.901 2.060 -14.937 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.332 3.778 -15.108 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.731 6.535 -12.985 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.230 5.428 -14.285 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.957 5.634 -13.908 1.00 0.00 H new ATOM 972 N CYS A 73 -7.282 1.926 -14.313 1.00 0.00 N ATOM 973 CA CYS A 73 -7.822 0.999 -15.230 1.00 0.00 C ATOM 974 C CYS A 73 -7.255 1.424 -16.568 1.00 0.00 C ATOM 975 O CYS A 73 -7.645 2.446 -17.141 1.00 0.00 O ATOM 976 CB CYS A 73 -9.334 1.008 -15.114 1.00 0.00 C ATOM 977 SG CYS A 73 -10.163 -0.365 -15.949 1.00 0.00 S ATOM 0 H CYS A 73 -7.878 2.727 -14.103 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.557 -0.044 -15.056 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.604 0.990 -14.058 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.711 1.945 -15.523 1.00 0.00 H new ATOM 982 N CYS A 74 -6.192 0.720 -16.961 1.00 0.00 N ATOM 983 CA CYS A 74 -5.430 1.110 -18.126 1.00 0.00 C ATOM 984 C CYS A 74 -5.067 -0.014 -19.066 1.00 0.00 C ATOM 985 O CYS A 74 -4.708 -1.128 -18.663 1.00 0.00 O ATOM 986 CB CYS A 74 -4.128 1.766 -17.645 1.00 0.00 C ATOM 987 SG CYS A 74 -2.790 1.923 -18.893 1.00 0.00 S ATOM 0 H CYS A 74 -5.849 -0.116 -16.487 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.073 1.782 -18.694 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.364 2.761 -17.269 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.745 1.190 -16.803 1.00 0.00 H new ATOM 992 N SER A 75 -5.110 0.347 -20.328 1.00 0.00 N ATOM 993 CA SER A 75 -4.720 -0.550 -21.393 1.00 0.00 C ATOM 994 C SER A 75 -3.623 0.154 -22.204 1.00 0.00 C ATOM 995 O SER A 75 -2.821 0.868 -21.610 1.00 0.00 O ATOM 996 CB SER A 75 -5.953 -0.873 -22.239 1.00 0.00 C ATOM 997 OG SER A 75 -6.948 -1.523 -21.473 1.00 0.00 O ATOM 0 H SER A 75 -5.415 1.267 -20.645 1.00 0.00 H new ATOM 0 HA SER A 75 -4.327 -1.495 -21.018 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.359 0.047 -22.660 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.665 -1.507 -23.077 1.00 0.00 H new ATOM 0 HG SER A 75 -7.827 -1.151 -21.696 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.579 0.077 -23.557 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.594 0.822 -24.321 1.00 0.00 C ATOM 1005 C PRO A 76 -3.179 2.167 -24.693 1.00 0.00 C ATOM 1006 O PRO A 76 -2.477 3.160 -24.889 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.386 -0.039 -25.573 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.528 -1.010 -25.613 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.458 -0.658 -24.475 1.00 0.00 C ATOM 0 HA PRO A 76 -1.664 1.008 -23.784 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.370 0.579 -26.471 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.431 -0.563 -25.530 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.050 -0.950 -26.568 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.166 -2.033 -25.511 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.296 -0.046 -24.811 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.880 -1.547 -24.007 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.501 2.151 -24.812 1.00 0.00 N ATOM 1018 CA ASP A 77 -5.336 3.310 -25.199 1.00 0.00 C ATOM 1019 C ASP A 77 -5.092 4.437 -24.257 1.00 0.00 C ATOM 1020 O ASP A 77 -4.726 5.541 -24.664 1.00 0.00 O ATOM 1021 CB ASP A 77 -6.821 2.932 -25.197 1.00 0.00 C ATOM 1022 CG ASP A 77 -7.549 3.448 -26.424 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -7.280 2.941 -27.534 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -8.390 4.361 -26.274 1.00 0.00 O ATOM 0 H ASP A 77 -5.051 1.310 -24.639 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.064 3.618 -26.209 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.917 1.847 -25.150 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.294 3.333 -24.301 1.00 0.00 H new ATOM 1029 N GLY A 78 -5.175 4.120 -22.958 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.830 5.083 -21.934 1.00 0.00 C ATOM 1031 C GLY A 78 -5.023 4.553 -20.538 1.00 0.00 C ATOM 1032 O GLY A 78 -5.885 3.702 -20.308 1.00 0.00 O ATOM 0 H GLY A 78 -5.476 3.211 -22.606 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.790 5.384 -22.062 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.439 5.978 -22.064 1.00 0.00 H new ATOM 1036 N CYS A 79 -4.280 5.089 -19.586 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.458 4.701 -18.203 1.00 0.00 C ATOM 1038 C CYS A 79 -5.179 5.767 -17.464 1.00 0.00 C ATOM 1039 O CYS A 79 -4.975 6.960 -17.693 1.00 0.00 O ATOM 1040 CB CYS A 79 -3.168 4.487 -17.441 1.00 0.00 C ATOM 1041 SG CYS A 79 -1.870 3.664 -18.392 1.00 0.00 S ATOM 0 H CYS A 79 -3.554 5.788 -19.745 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.004 3.759 -18.254 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.796 5.454 -17.101 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.380 3.896 -16.550 1.00 0.00 H new ATOM 1046 N GLU A 80 -6.011 5.337 -16.567 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.770 6.261 -15.765 1.00 0.00 C ATOM 1048 C GLU A 80 -7.074 5.683 -14.392 1.00 0.00 C ATOM 1049 O GLU A 80 -7.414 4.512 -14.268 1.00 0.00 O ATOM 1050 CB GLU A 80 -8.068 6.637 -16.481 1.00 0.00 C ATOM 1051 CG GLU A 80 -9.032 5.473 -16.653 1.00 0.00 C ATOM 1052 CD GLU A 80 -10.464 5.850 -16.328 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -10.821 5.848 -15.129 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -11.229 6.145 -17.268 1.00 0.00 O ATOM 0 H GLU A 80 -6.186 4.352 -16.367 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.167 7.158 -15.624 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.565 7.429 -15.921 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.826 7.045 -17.463 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.979 5.111 -17.680 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.721 4.650 -16.009 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.942 6.518 -13.359 1.00 0.00 N ATOM 1062 CA GLU A 81 -7.190 6.093 -11.999 1.00 0.00 C ATOM 1063 C GLU A 81 -8.548 5.448 -11.918 1.00 0.00 C ATOM 1064 O GLU A 81 -9.574 6.108 -12.078 1.00 0.00 O ATOM 1065 CB GLU A 81 -7.100 7.275 -11.034 1.00 0.00 C ATOM 1066 CG GLU A 81 -7.801 8.511 -11.523 1.00 0.00 C ATOM 1067 CD GLU A 81 -7.745 9.652 -10.525 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -7.688 9.379 -9.308 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -7.757 10.821 -10.961 1.00 0.00 O ATOM 0 H GLU A 81 -6.663 7.495 -13.450 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.428 5.369 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.526 6.982 -10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.050 7.509 -10.858 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.349 8.832 -12.461 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.843 8.272 -11.737 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.552 4.149 -11.666 1.00 0.00 N ATOM 1077 CA ASP A 82 -9.787 3.431 -11.569 1.00 0.00 C ATOM 1078 C ASP A 82 -10.195 3.255 -10.108 1.00 0.00 C ATOM 1079 O ASP A 82 -9.653 2.419 -9.394 1.00 0.00 O ATOM 1080 CB ASP A 82 -9.742 2.088 -12.339 1.00 0.00 C ATOM 1081 CG ASP A 82 -8.640 1.145 -11.921 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -8.117 1.321 -10.819 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -8.327 0.203 -12.688 1.00 0.00 O ATOM 0 H ASP A 82 -7.714 3.584 -11.528 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.560 4.027 -12.054 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.699 1.582 -12.212 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.633 2.301 -13.402 1.00 0.00 H new ATOM 1088 N PRO A 83 -11.176 4.052 -9.657 1.00 0.00 N ATOM 1089 CA PRO A 83 -11.706 3.988 -8.302 1.00 0.00 C ATOM 1090 C PRO A 83 -12.214 2.590 -8.033 1.00 0.00 C ATOM 1091 O PRO A 83 -12.435 2.166 -6.899 1.00 0.00 O ATOM 1092 CB PRO A 83 -12.850 5.011 -8.328 1.00 0.00 C ATOM 1093 CG PRO A 83 -12.454 5.947 -9.401 1.00 0.00 C ATOM 1094 CD PRO A 83 -11.855 5.067 -10.450 1.00 0.00 C ATOM 0 HA PRO A 83 -10.978 4.206 -7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.807 4.537 -8.543 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.955 5.520 -7.370 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.312 6.498 -9.786 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.736 6.684 -9.042 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.616 4.633 -11.099 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.162 5.613 -11.091 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.326 1.876 -9.129 1.00 0.00 N ATOM 1103 CA ALA A 84 -12.709 0.504 -9.164 1.00 0.00 C ATOM 1104 C ALA A 84 -11.597 -0.343 -8.589 1.00 0.00 C ATOM 1105 O ALA A 84 -11.785 -1.510 -8.225 1.00 0.00 O ATOM 1106 CB ALA A 84 -12.922 0.149 -10.619 1.00 0.00 C ATOM 0 H ALA A 84 -12.142 2.262 -10.055 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.613 0.328 -8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.218 -0.897 -10.699 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.706 0.781 -11.037 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.996 0.307 -11.171 1.00 0.00 H new ATOM 1112 N CYS A 85 -10.421 0.265 -8.547 1.00 0.00 N ATOM 1113 CA CYS A 85 -9.256 -0.416 -8.068 1.00 0.00 C ATOM 1114 C CYS A 85 -8.476 0.227 -6.908 1.00 0.00 C ATOM 1115 O CYS A 85 -7.803 -0.532 -6.213 1.00 0.00 O ATOM 1116 CB CYS A 85 -8.296 -0.736 -9.194 1.00 0.00 C ATOM 1117 SG CYS A 85 -8.004 -2.515 -9.351 1.00 0.00 S ATOM 0 H CYS A 85 -10.261 1.228 -8.842 1.00 0.00 H new ATOM 0 HA CYS A 85 -9.690 -1.319 -7.639 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.696 -0.350 -10.132 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -7.348 -0.227 -9.018 1.00 0.00 H new ATOM 1122 N ASP A 86 -8.482 1.569 -6.659 1.00 0.00 N ATOM 1123 CA ASP A 86 -7.626 2.040 -5.521 1.00 0.00 C ATOM 1124 C ASP A 86 -7.378 3.543 -5.236 1.00 0.00 C ATOM 1125 O ASP A 86 -6.971 3.864 -4.118 1.00 0.00 O ATOM 1126 CB ASP A 86 -6.214 1.543 -5.783 1.00 0.00 C ATOM 1127 CG ASP A 86 -5.377 1.440 -4.521 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -5.927 1.051 -3.472 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -4.163 1.746 -4.584 1.00 0.00 O ATOM 0 H ASP A 86 -9.008 2.280 -7.167 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.210 1.669 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.262 0.565 -6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.722 2.217 -6.485 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.427 4.462 -6.201 1.00 0.00 N ATOM 1135 CA PRO A 87 -7.014 5.837 -5.977 1.00 0.00 C ATOM 1136 C PRO A 87 -8.133 6.806 -5.888 1.00 0.00 C ATOM 1137 O PRO A 87 -8.450 7.347 -4.828 1.00 0.00 O ATOM 1138 CB PRO A 87 -6.196 6.113 -7.241 1.00 0.00 C ATOM 1139 CG PRO A 87 -6.532 4.999 -8.170 1.00 0.00 C ATOM 1140 CD PRO A 87 -7.718 4.292 -7.593 1.00 0.00 C ATOM 0 HA PRO A 87 -6.493 5.953 -5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.454 7.079 -7.674 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.128 6.136 -7.023 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.758 5.382 -9.165 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.689 4.316 -8.274 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.663 4.750 -7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.767 3.244 -7.888 1.00 0.00 H new ATOM 1148 N GLU A 88 -8.747 7.009 -7.028 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.876 7.909 -7.123 1.00 0.00 C ATOM 1150 C GLU A 88 -11.078 7.175 -6.559 1.00 0.00 C ATOM 1151 O GLU A 88 -12.245 7.574 -6.680 1.00 0.00 O ATOM 1152 CB GLU A 88 -10.126 8.217 -8.597 1.00 0.00 C ATOM 1153 CG GLU A 88 -10.909 9.496 -8.835 1.00 0.00 C ATOM 1154 CD GLU A 88 -10.701 10.060 -10.225 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -10.879 9.307 -11.206 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -10.361 11.257 -10.335 1.00 0.00 O ATOM 0 H GLU A 88 -8.485 6.563 -7.907 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.696 8.837 -6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.167 8.289 -9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.666 7.383 -9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.970 9.301 -8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.612 10.241 -8.097 1.00 0.00 H new ATOM 1163 N ALA A 89 -10.719 5.993 -6.079 1.00 0.00 N ATOM 1164 CA ALA A 89 -11.587 4.947 -5.599 1.00 0.00 C ATOM 1165 C ALA A 89 -12.459 5.164 -4.382 1.00 0.00 C ATOM 1166 O ALA A 89 -12.335 6.074 -3.567 1.00 0.00 O ATOM 1167 CB ALA A 89 -10.735 3.706 -5.376 1.00 0.00 C ATOM 0 H ALA A 89 -9.736 5.728 -6.013 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.335 4.879 -6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.364 2.894 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.269 3.411 -6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.961 3.924 -4.640 1.00 0.00 H new ATOM 1173 N ALA A 90 -13.278 4.136 -4.319 1.00 0.00 N ATOM 1174 CA ALA A 90 -14.227 3.801 -3.315 1.00 0.00 C ATOM 1175 C ALA A 90 -13.579 2.729 -2.464 1.00 0.00 C ATOM 1176 O ALA A 90 -12.351 2.666 -2.387 1.00 0.00 O ATOM 1177 CB ALA A 90 -15.427 3.224 -4.031 1.00 0.00 C ATOM 0 H ALA A 90 -13.283 3.442 -5.067 1.00 0.00 H new ATOM 0 HA ALA A 90 -14.527 4.650 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.189 2.949 -3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.833 3.967 -4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.125 2.339 -4.591 1.00 0.00 H new ATOM 1183 N PHE A 91 -14.374 1.843 -1.875 1.00 0.00 N ATOM 1184 CA PHE A 91 -13.809 0.734 -1.126 1.00 0.00 C ATOM 1185 C PHE A 91 -13.278 -0.261 -2.153 1.00 0.00 C ATOM 1186 O PHE A 91 -13.682 -1.427 -2.205 1.00 0.00 O ATOM 1187 CB PHE A 91 -14.865 0.081 -0.229 1.00 0.00 C ATOM 1188 CG PHE A 91 -14.310 -0.444 1.065 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -13.382 -1.475 1.068 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -14.713 0.093 2.277 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -12.868 -1.958 2.257 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -14.202 -0.386 3.468 1.00 0.00 C ATOM 1193 CZ PHE A 91 -13.278 -1.413 3.458 1.00 0.00 C ATOM 0 H PHE A 91 -15.393 1.871 -1.902 1.00 0.00 H new ATOM 0 HA PHE A 91 -13.012 1.078 -0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -15.646 0.809 -0.011 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -15.336 -0.738 -0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -13.058 -1.905 0.132 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -15.435 0.896 2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -12.146 -2.761 2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -14.525 0.042 4.406 1.00 0.00 H new ATOM 0 HZ PHE A 91 -12.877 -1.789 4.388 1.00 0.00 H new ATOM 1203 N SER A 92 -12.381 0.258 -2.998 1.00 0.00 N ATOM 1204 CA SER A 92 -11.762 -0.484 -4.086 1.00 0.00 C ATOM 1205 C SER A 92 -10.639 -1.379 -3.565 1.00 0.00 C ATOM 1206 O SER A 92 -9.665 -0.838 -3.004 1.00 0.00 O ATOM 1207 CB SER A 92 -11.183 0.505 -5.116 1.00 0.00 C ATOM 1208 OG SER A 92 -9.975 1.061 -4.637 1.00 0.00 O ATOM 1209 OXT SER A 92 -10.747 -2.613 -3.724 1.00 0.00 O ATOM 0 H SER A 92 -12.063 1.225 -2.938 1.00 0.00 H new ATOM 0 HA SER A 92 -12.522 -1.111 -4.552 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.006 -0.007 -6.062 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.904 1.299 -5.313 1.00 0.00 H new ATOM 0 HG SER A 92 -9.796 0.726 -3.734 1.00 0.00 H new