USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 535 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 61:sc= 0.368 USER MOD Single : A 20 CYS SG : rot 180:sc= -2.21! USER MOD Single : A 21 SER OG : rot 79:sc= 1.26 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 151:sc= -0.0197 (180deg=-0.127) USER MOD Single : A 28 LYS NZ :NH3+ -158:sc=-0.00843 (180deg=-0.518) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-2.4) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00787 USER MOD Single : A 39 THR OG1 : rot 49:sc= 0.794 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -124:sc= -0.0757 (180deg=-0.489) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.42 K(o=-0.42,f=-2.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.311 USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= -0.0055 (180deg=-0.0742) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 1.11 K(o=1.1,f=-0.28) USER MOD Single : A 58 TYR OH : rot -20:sc= 0.386 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 3.382 16.402 1.277 1.00 0.00 N ATOM 137 CA PRO A 9 2.886 15.105 1.794 1.00 0.00 C ATOM 138 C PRO A 9 1.683 15.326 2.716 1.00 0.00 C ATOM 139 O PRO A 9 1.831 15.453 3.917 1.00 0.00 O ATOM 140 CB PRO A 9 4.070 14.555 2.580 1.00 0.00 C ATOM 141 CG PRO A 9 4.869 15.753 2.990 1.00 0.00 C ATOM 142 CD PRO A 9 4.579 16.858 2.004 1.00 0.00 C ATOM 0 HA PRO A 9 2.552 14.430 1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.735 13.990 3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.665 13.876 1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.603 16.063 4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.933 15.518 2.999 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.397 17.805 2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.418 17.015 1.327 1.00 0.00 H new ATOM 150 N LYS A 10 0.495 15.375 2.164 1.00 0.00 N ATOM 151 CA LYS A 10 -0.712 15.591 3.007 1.00 0.00 C ATOM 152 C LYS A 10 -1.567 14.322 3.076 1.00 0.00 C ATOM 153 O LYS A 10 -2.765 14.380 3.280 1.00 0.00 O ATOM 154 CB LYS A 10 -1.476 16.741 2.334 1.00 0.00 C ATOM 155 CG LYS A 10 -1.954 16.323 0.934 1.00 0.00 C ATOM 156 CD LYS A 10 -1.567 17.393 -0.092 1.00 0.00 C ATOM 157 CE LYS A 10 -1.787 16.848 -1.505 1.00 0.00 C ATOM 158 NZ LYS A 10 -0.471 16.277 -1.906 1.00 0.00 N ATOM 0 H LYS A 10 0.314 15.274 1.165 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.450 15.832 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.331 17.025 2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.833 17.618 2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.510 15.366 0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.035 16.183 0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.165 18.291 0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.524 17.679 0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.568 16.088 -1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.100 17.637 -2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.542 15.883 -2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.251 17.025 -1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.202 15.524 -1.241 1.00 0.00 H new ATOM 172 N ARG A 11 -0.955 13.184 2.905 1.00 0.00 N ATOM 173 CA ARG A 11 -1.716 11.901 2.957 1.00 0.00 C ATOM 174 C ARG A 11 -0.769 10.725 3.247 1.00 0.00 C ATOM 175 O ARG A 11 -0.178 10.180 2.337 1.00 0.00 O ATOM 176 CB ARG A 11 -2.339 11.755 1.568 1.00 0.00 C ATOM 177 CG ARG A 11 -3.286 10.553 1.560 1.00 0.00 C ATOM 178 CD ARG A 11 -4.455 10.824 0.608 1.00 0.00 C ATOM 179 NE ARG A 11 -5.607 11.176 1.488 1.00 0.00 N ATOM 180 CZ ARG A 11 -6.768 11.452 0.960 1.00 0.00 C ATOM 181 NH1 ARG A 11 -7.363 10.574 0.200 1.00 0.00 N ATOM 182 NH2 ARG A 11 -7.333 12.605 1.191 1.00 0.00 N ATOM 0 H ARG A 11 0.045 13.085 2.730 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.468 11.902 3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.883 12.662 1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.558 11.622 0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.750 9.657 1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.660 10.365 2.567 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.222 11.638 -0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.678 9.947 -0.000 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.487 11.201 2.501 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.921 9.673 0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.271 10.789 -0.213 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.867 13.291 1.785 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.240 12.820 0.778 1.00 0.00 H new ATOM 196 N PRO A 12 -0.652 10.365 4.508 1.00 0.00 N ATOM 197 CA PRO A 12 0.236 9.240 4.885 1.00 0.00 C ATOM 198 C PRO A 12 -0.431 7.892 4.553 1.00 0.00 C ATOM 199 O PRO A 12 -1.434 7.548 5.147 1.00 0.00 O ATOM 200 CB PRO A 12 0.403 9.399 6.391 1.00 0.00 C ATOM 201 CG PRO A 12 -0.810 10.142 6.848 1.00 0.00 C ATOM 202 CD PRO A 12 -1.315 10.955 5.682 1.00 0.00 C ATOM 0 HA PRO A 12 1.186 9.252 4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.478 8.429 6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.314 9.949 6.630 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.577 9.448 7.191 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.567 10.790 7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.400 10.896 5.597 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.061 12.009 5.793 1.00 0.00 H new ATOM 210 N PRO A 13 0.140 7.163 3.615 1.00 0.00 N ATOM 211 CA PRO A 13 -0.433 5.852 3.234 1.00 0.00 C ATOM 212 C PRO A 13 0.001 4.774 4.231 1.00 0.00 C ATOM 213 O PRO A 13 0.918 4.974 5.006 1.00 0.00 O ATOM 214 CB PRO A 13 0.160 5.591 1.853 1.00 0.00 C ATOM 215 CG PRO A 13 1.433 6.381 1.802 1.00 0.00 C ATOM 216 CD PRO A 13 1.345 7.478 2.836 1.00 0.00 C ATOM 0 HA PRO A 13 -1.523 5.841 3.231 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.352 4.529 1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.527 5.904 1.067 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.289 5.737 2.002 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.579 6.805 0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.232 7.497 3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.268 8.459 2.367 1.00 0.00 H new ATOM 224 N SER A 14 -0.653 3.637 4.224 1.00 0.00 N ATOM 225 CA SER A 14 -0.279 2.551 5.179 1.00 0.00 C ATOM 226 C SER A 14 -0.735 1.184 4.655 1.00 0.00 C ATOM 227 O SER A 14 -1.432 0.452 5.330 1.00 0.00 O ATOM 228 CB SER A 14 -1.010 2.900 6.475 1.00 0.00 C ATOM 229 OG SER A 14 -2.411 2.776 6.273 1.00 0.00 O ATOM 0 H SER A 14 -1.428 3.416 3.599 1.00 0.00 H new ATOM 0 HA SER A 14 0.800 2.484 5.319 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.687 2.237 7.278 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.764 3.916 6.782 1.00 0.00 H new ATOM 0 HG SER A 14 -2.626 1.852 6.027 1.00 0.00 H new ATOM 235 N ALA A 15 -0.354 0.835 3.445 1.00 0.00 N ATOM 236 CA ALA A 15 -0.757 -0.481 2.840 1.00 0.00 C ATOM 237 C ALA A 15 -2.261 -0.492 2.567 1.00 0.00 C ATOM 238 O ALA A 15 -2.686 -0.352 1.436 1.00 0.00 O ATOM 239 CB ALA A 15 -0.366 -1.583 3.842 1.00 0.00 C ATOM 0 H ALA A 15 0.228 1.416 2.842 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.254 -0.647 1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.643 -2.557 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.710 -1.554 4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.888 -1.419 4.785 1.00 0.00 H new ATOM 245 N PHE A 16 -3.073 -0.664 3.585 1.00 0.00 N ATOM 246 CA PHE A 16 -4.563 -0.691 3.385 1.00 0.00 C ATOM 247 C PHE A 16 -5.028 0.486 2.524 1.00 0.00 C ATOM 248 O PHE A 16 -5.735 0.311 1.549 1.00 0.00 O ATOM 249 CB PHE A 16 -5.147 -0.564 4.788 1.00 0.00 C ATOM 250 CG PHE A 16 -6.609 -0.936 4.759 1.00 0.00 C ATOM 251 CD1 PHE A 16 -6.986 -2.276 4.625 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.588 0.059 4.864 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.342 -2.623 4.595 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.944 -0.286 4.833 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.321 -1.628 4.700 1.00 0.00 C ATOM 0 H PHE A 16 -2.768 -0.788 4.551 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.881 -1.599 2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.609 -1.214 5.478 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.027 0.456 5.152 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.231 -3.044 4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.297 1.094 4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.633 -3.658 4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.699 0.482 4.912 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.367 -1.895 4.678 1.00 0.00 H new ATOM 265 N PHE A 17 -4.621 1.682 2.871 1.00 0.00 N ATOM 266 CA PHE A 17 -5.025 2.876 2.067 1.00 0.00 C ATOM 267 C PHE A 17 -4.575 2.692 0.617 1.00 0.00 C ATOM 268 O PHE A 17 -5.285 3.025 -0.310 1.00 0.00 O ATOM 269 CB PHE A 17 -4.298 4.062 2.708 1.00 0.00 C ATOM 270 CG PHE A 17 -5.060 5.334 2.424 1.00 0.00 C ATOM 271 CD1 PHE A 17 -6.076 5.749 3.294 1.00 0.00 C ATOM 272 CD2 PHE A 17 -4.749 6.099 1.294 1.00 0.00 C ATOM 273 CE1 PHE A 17 -6.782 6.930 3.031 1.00 0.00 C ATOM 274 CE2 PHE A 17 -5.454 7.279 1.032 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.470 7.695 1.901 1.00 0.00 C ATOM 0 H PHE A 17 -4.027 1.883 3.676 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.105 3.026 2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.211 3.910 3.784 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.285 4.137 2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.315 5.159 4.167 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.965 5.779 0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.567 7.250 3.700 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.214 7.869 0.160 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.013 8.606 1.699 1.00 0.00 H new ATOM 285 N LEU A 18 -3.395 2.156 0.424 1.00 0.00 N ATOM 286 CA LEU A 18 -2.880 1.939 -0.962 1.00 0.00 C ATOM 287 C LEU A 18 -3.757 0.925 -1.700 1.00 0.00 C ATOM 288 O LEU A 18 -4.100 1.115 -2.851 1.00 0.00 O ATOM 289 CB LEU A 18 -1.458 1.374 -0.804 1.00 0.00 C ATOM 290 CG LEU A 18 -0.584 2.293 0.068 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.846 1.752 0.089 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.572 3.716 -0.505 1.00 0.00 C ATOM 0 H LEU A 18 -2.765 1.859 1.169 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.887 2.866 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.507 0.382 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.000 1.257 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.993 2.318 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.471 2.399 0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.848 0.744 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.241 1.727 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.050 4.355 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.169 3.697 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.589 4.108 -0.527 1.00 0.00 H new ATOM 304 N PHE A 19 -4.114 -0.153 -1.047 1.00 0.00 N ATOM 305 CA PHE A 19 -4.963 -1.192 -1.711 1.00 0.00 C ATOM 306 C PHE A 19 -6.355 -0.632 -2.007 1.00 0.00 C ATOM 307 O PHE A 19 -6.832 -0.702 -3.123 1.00 0.00 O ATOM 308 CB PHE A 19 -5.055 -2.342 -0.706 1.00 0.00 C ATOM 309 CG PHE A 19 -5.745 -3.520 -1.351 1.00 0.00 C ATOM 310 CD1 PHE A 19 -5.012 -4.412 -2.144 1.00 0.00 C ATOM 311 CD2 PHE A 19 -7.117 -3.722 -1.156 1.00 0.00 C ATOM 312 CE1 PHE A 19 -5.652 -5.504 -2.742 1.00 0.00 C ATOM 313 CE2 PHE A 19 -7.756 -4.813 -1.755 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.024 -5.705 -2.547 1.00 0.00 C ATOM 0 H PHE A 19 -3.854 -0.359 -0.082 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.540 -1.516 -2.662 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.058 -2.629 -0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.607 -2.023 0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.954 -4.257 -2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.682 -3.035 -0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.087 -6.192 -3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.815 -4.967 -1.606 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.517 -6.548 -3.008 1.00 0.00 H new ATOM 324 N CYS A 20 -7.001 -0.069 -1.021 1.00 0.00 N ATOM 325 CA CYS A 20 -8.364 0.507 -1.248 1.00 0.00 C ATOM 326 C CYS A 20 -8.280 1.721 -2.183 1.00 0.00 C ATOM 327 O CYS A 20 -9.257 2.114 -2.790 1.00 0.00 O ATOM 328 CB CYS A 20 -8.857 0.932 0.137 1.00 0.00 C ATOM 329 SG CYS A 20 -10.583 1.468 0.024 1.00 0.00 S ATOM 0 H CYS A 20 -6.647 0.018 -0.068 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.038 -0.210 -1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.768 0.101 0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.238 1.742 0.523 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.004 1.827 1.200 1.00 0.00 H new ATOM 335 N SER A 21 -7.124 2.327 -2.286 1.00 0.00 N ATOM 336 CA SER A 21 -6.976 3.529 -3.163 1.00 0.00 C ATOM 337 C SER A 21 -6.979 3.151 -4.650 1.00 0.00 C ATOM 338 O SER A 21 -7.218 3.994 -5.495 1.00 0.00 O ATOM 339 CB SER A 21 -5.627 4.140 -2.782 1.00 0.00 C ATOM 340 OG SER A 21 -5.808 5.029 -1.688 1.00 0.00 O ATOM 0 H SER A 21 -6.274 2.041 -1.800 1.00 0.00 H new ATOM 0 HA SER A 21 -7.806 4.221 -3.021 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.921 3.354 -2.514 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.203 4.673 -3.633 1.00 0.00 H new ATOM 0 HG SER A 21 -5.875 4.515 -0.856 1.00 0.00 H new ATOM 346 N GLU A 22 -6.692 1.912 -4.990 1.00 0.00 N ATOM 347 CA GLU A 22 -6.658 1.541 -6.441 1.00 0.00 C ATOM 348 C GLU A 22 -7.538 0.323 -6.770 1.00 0.00 C ATOM 349 O GLU A 22 -7.796 0.054 -7.929 1.00 0.00 O ATOM 350 CB GLU A 22 -5.188 1.225 -6.732 1.00 0.00 C ATOM 351 CG GLU A 22 -4.718 0.057 -5.860 1.00 0.00 C ATOM 352 CD GLU A 22 -3.270 -0.290 -6.209 1.00 0.00 C ATOM 353 OE1 GLU A 22 -2.387 0.430 -5.770 1.00 0.00 O ATOM 354 OE2 GLU A 22 -3.067 -1.270 -6.906 1.00 0.00 O ATOM 0 H GLU A 22 -6.484 1.156 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.053 2.353 -7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.063 0.975 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.574 2.104 -6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.796 0.322 -4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.359 -0.810 -6.018 1.00 0.00 H new ATOM 361 N TYR A 23 -7.982 -0.430 -5.791 1.00 0.00 N ATOM 362 CA TYR A 23 -8.822 -1.635 -6.101 1.00 0.00 C ATOM 363 C TYR A 23 -10.314 -1.285 -6.169 1.00 0.00 C ATOM 364 O TYR A 23 -11.155 -2.163 -6.126 1.00 0.00 O ATOM 365 CB TYR A 23 -8.556 -2.609 -4.952 1.00 0.00 C ATOM 366 CG TYR A 23 -7.384 -3.496 -5.303 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.077 -3.058 -5.060 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.605 -4.755 -5.873 1.00 0.00 C ATOM 369 CE1 TYR A 23 -4.990 -3.880 -5.386 1.00 0.00 C ATOM 370 CE2 TYR A 23 -6.519 -5.577 -6.200 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.212 -5.139 -5.956 1.00 0.00 C ATOM 372 OH TYR A 23 -4.142 -5.948 -6.276 1.00 0.00 O ATOM 0 H TYR A 23 -7.802 -0.266 -4.800 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.567 -2.055 -7.074 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.347 -2.058 -4.035 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.441 -3.216 -4.764 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.906 -2.086 -4.621 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.613 -5.093 -6.061 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.982 -3.542 -5.198 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.690 -6.548 -6.640 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.470 -6.787 -6.661 1.00 0.00 H new ATOM 382 N ARG A 24 -10.654 -0.024 -6.281 1.00 0.00 N ATOM 383 CA ARG A 24 -12.093 0.359 -6.359 1.00 0.00 C ATOM 384 C ARG A 24 -12.602 0.449 -7.809 1.00 0.00 C ATOM 385 O ARG A 24 -13.680 -0.036 -8.070 1.00 0.00 O ATOM 386 CB ARG A 24 -12.201 1.715 -5.677 1.00 0.00 C ATOM 387 CG ARG A 24 -11.835 1.572 -4.199 1.00 0.00 C ATOM 388 CD ARG A 24 -11.994 2.926 -3.504 1.00 0.00 C ATOM 389 NE ARG A 24 -13.402 2.946 -3.021 1.00 0.00 N ATOM 390 CZ ARG A 24 -14.134 4.011 -3.193 1.00 0.00 C ATOM 391 NH1 ARG A 24 -14.314 4.493 -4.393 1.00 0.00 N ATOM 392 NH2 ARG A 24 -14.687 4.597 -2.166 1.00 0.00 N ATOM 0 H ARG A 24 -9.996 0.754 -6.322 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.710 -0.399 -5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.536 2.431 -6.160 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.214 2.104 -5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.476 0.829 -3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.809 1.218 -4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.291 3.031 -2.677 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.801 3.749 -4.193 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.794 2.127 -2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.882 4.036 -5.196 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.887 5.326 -4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.547 4.222 -1.228 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.260 5.430 -2.301 1.00 0.00 H new ATOM 406 N PRO A 25 -11.846 1.060 -8.716 1.00 0.00 N ATOM 407 CA PRO A 25 -12.327 1.172 -10.122 1.00 0.00 C ATOM 408 C PRO A 25 -12.392 -0.211 -10.775 1.00 0.00 C ATOM 409 O PRO A 25 -13.045 -0.393 -11.787 1.00 0.00 O ATOM 410 CB PRO A 25 -11.307 2.086 -10.794 1.00 0.00 C ATOM 411 CG PRO A 25 -10.073 1.960 -9.970 1.00 0.00 C ATOM 412 CD PRO A 25 -10.511 1.665 -8.558 1.00 0.00 C ATOM 0 HA PRO A 25 -13.336 1.576 -10.203 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.125 1.783 -11.825 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.659 3.117 -10.822 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.436 1.162 -10.350 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.489 2.880 -10.008 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.821 0.984 -8.060 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.553 2.572 -7.956 1.00 0.00 H new ATOM 420 N LYS A 26 -11.763 -1.197 -10.180 1.00 0.00 N ATOM 421 CA LYS A 26 -11.836 -2.575 -10.738 1.00 0.00 C ATOM 422 C LYS A 26 -13.228 -3.122 -10.437 1.00 0.00 C ATOM 423 O LYS A 26 -13.951 -3.550 -11.314 1.00 0.00 O ATOM 424 CB LYS A 26 -10.780 -3.374 -9.978 1.00 0.00 C ATOM 425 CG LYS A 26 -10.595 -4.740 -10.638 1.00 0.00 C ATOM 426 CD LYS A 26 -11.672 -5.702 -10.133 1.00 0.00 C ATOM 427 CE LYS A 26 -11.213 -7.145 -10.351 1.00 0.00 C ATOM 428 NZ LYS A 26 -10.315 -7.439 -9.200 1.00 0.00 N ATOM 0 H LYS A 26 -11.204 -1.102 -9.332 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.663 -2.619 -11.813 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.835 -2.832 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.083 -3.499 -8.939 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.658 -4.643 -11.722 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.605 -5.134 -10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.863 -5.526 -9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.609 -5.524 -10.660 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.061 -7.830 -10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.688 -7.254 -11.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.349 -8.456 -8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.340 -7.169 -9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.627 -6.898 -8.369 1.00 0.00 H new ATOM 442 N ILE A 27 -13.604 -3.094 -9.182 1.00 0.00 N ATOM 443 CA ILE A 27 -14.955 -3.591 -8.765 1.00 0.00 C ATOM 444 C ILE A 27 -16.055 -2.951 -9.617 1.00 0.00 C ATOM 445 O ILE A 27 -17.130 -3.496 -9.764 1.00 0.00 O ATOM 446 CB ILE A 27 -15.139 -3.116 -7.306 1.00 0.00 C ATOM 447 CG1 ILE A 27 -14.012 -3.621 -6.387 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.479 -3.622 -6.769 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.855 -5.135 -6.509 1.00 0.00 C ATOM 0 H ILE A 27 -13.026 -2.744 -8.418 1.00 0.00 H new ATOM 0 HA ILE A 27 -15.021 -4.673 -8.877 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.111 -2.026 -7.310 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.075 -3.131 -6.649 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.232 -3.355 -5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.609 -3.287 -5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.289 -3.229 -7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.496 -4.711 -6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.053 -5.472 -5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.787 -5.622 -6.223 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.612 -5.394 -7.540 1.00 0.00 H new ATOM 461 N LYS A 28 -15.801 -1.785 -10.145 1.00 0.00 N ATOM 462 CA LYS A 28 -16.853 -1.086 -10.948 1.00 0.00 C ATOM 463 C LYS A 28 -16.934 -1.696 -12.349 1.00 0.00 C ATOM 464 O LYS A 28 -17.988 -1.737 -12.955 1.00 0.00 O ATOM 465 CB LYS A 28 -16.469 0.413 -11.033 1.00 0.00 C ATOM 466 CG LYS A 28 -15.741 0.935 -9.777 1.00 0.00 C ATOM 467 CD LYS A 28 -16.432 0.505 -8.472 1.00 0.00 C ATOM 468 CE LYS A 28 -17.888 0.980 -8.469 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.809 2.461 -8.330 1.00 0.00 N ATOM 0 H LYS A 28 -14.916 -1.285 -10.058 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.829 -1.196 -10.476 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.831 0.567 -11.903 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.372 1.003 -11.191 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.714 0.569 -9.778 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.691 2.023 -9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.395 -0.580 -8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.903 0.923 -7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.398 0.696 -9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.447 0.535 -7.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.708 2.823 -7.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.036 2.708 -7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.627 2.888 -9.261 1.00 0.00 H new ATOM 483 N SER A 29 -15.829 -2.171 -12.864 1.00 0.00 N ATOM 484 CA SER A 29 -15.838 -2.783 -14.230 1.00 0.00 C ATOM 485 C SER A 29 -16.650 -4.084 -14.231 1.00 0.00 C ATOM 486 O SER A 29 -17.114 -4.528 -15.265 1.00 0.00 O ATOM 487 CB SER A 29 -14.371 -3.071 -14.552 1.00 0.00 C ATOM 488 OG SER A 29 -14.255 -3.439 -15.920 1.00 0.00 O ATOM 0 H SER A 29 -14.921 -2.162 -12.399 1.00 0.00 H new ATOM 0 HA SER A 29 -16.296 -2.123 -14.967 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.762 -2.191 -14.347 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.997 -3.872 -13.915 1.00 0.00 H new ATOM 0 HG SER A 29 -13.316 -3.623 -16.131 1.00 0.00 H new ATOM 494 N GLU A 30 -16.822 -4.699 -13.086 1.00 0.00 N ATOM 495 CA GLU A 30 -17.599 -5.975 -13.025 1.00 0.00 C ATOM 496 C GLU A 30 -18.828 -5.836 -12.116 1.00 0.00 C ATOM 497 O GLU A 30 -19.714 -6.670 -12.140 1.00 0.00 O ATOM 498 CB GLU A 30 -16.622 -7.002 -12.453 1.00 0.00 C ATOM 499 CG GLU A 30 -15.926 -7.739 -13.599 1.00 0.00 C ATOM 500 CD GLU A 30 -16.863 -8.809 -14.162 1.00 0.00 C ATOM 501 OE1 GLU A 30 -17.182 -9.732 -13.432 1.00 0.00 O ATOM 502 OE2 GLU A 30 -17.245 -8.686 -15.314 1.00 0.00 O ATOM 0 H GLU A 30 -16.458 -4.372 -12.191 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.978 -6.263 -14.005 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.883 -6.506 -11.824 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.154 -7.712 -11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.649 -7.034 -14.383 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.004 -8.199 -13.243 1.00 0.00 H new ATOM 509 N HIS A 31 -18.899 -4.791 -11.324 1.00 0.00 N ATOM 510 CA HIS A 31 -20.086 -4.610 -10.430 1.00 0.00 C ATOM 511 C HIS A 31 -20.631 -3.182 -10.584 1.00 0.00 C ATOM 512 O HIS A 31 -20.154 -2.273 -9.934 1.00 0.00 O ATOM 513 CB HIS A 31 -19.596 -4.846 -8.992 1.00 0.00 C ATOM 514 CG HIS A 31 -18.833 -6.143 -8.899 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.449 -6.181 -8.856 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.246 -7.451 -8.841 1.00 0.00 C ATOM 517 CE1 HIS A 31 -17.081 -7.472 -8.777 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.138 -8.289 -8.764 1.00 0.00 N ATOM 0 H HIS A 31 -18.190 -4.060 -11.259 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.888 -5.304 -10.682 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.958 -4.019 -8.679 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.447 -4.868 -8.311 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.275 -7.780 -8.853 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.056 -7.808 -8.730 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -18.134 -9.308 -8.709 1.00 0.00 H new ATOM 526 N PRO A 32 -21.615 -3.024 -11.443 1.00 0.00 N ATOM 527 CA PRO A 32 -22.205 -1.683 -11.665 1.00 0.00 C ATOM 528 C PRO A 32 -23.103 -1.304 -10.488 1.00 0.00 C ATOM 529 O PRO A 32 -23.173 -0.155 -10.093 1.00 0.00 O ATOM 530 CB PRO A 32 -23.019 -1.852 -12.944 1.00 0.00 C ATOM 531 CG PRO A 32 -23.337 -3.312 -13.025 1.00 0.00 C ATOM 532 CD PRO A 32 -22.264 -4.053 -12.272 1.00 0.00 C ATOM 0 HA PRO A 32 -21.460 -0.892 -11.749 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.929 -1.253 -12.912 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.453 -1.525 -13.816 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.317 -3.515 -12.594 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.372 -3.639 -14.064 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.687 -4.848 -11.658 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.553 -4.521 -12.953 1.00 0.00 H new ATOM 540 N GLY A 33 -23.780 -2.267 -9.925 1.00 0.00 N ATOM 541 CA GLY A 33 -24.672 -1.985 -8.766 1.00 0.00 C ATOM 542 C GLY A 33 -23.835 -1.787 -7.492 1.00 0.00 C ATOM 543 O GLY A 33 -24.326 -1.291 -6.498 1.00 0.00 O ATOM 0 H GLY A 33 -23.753 -3.243 -10.220 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -25.266 -1.092 -8.963 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.372 -2.809 -8.627 1.00 0.00 H new ATOM 547 N LEU A 34 -22.579 -2.182 -7.511 1.00 0.00 N ATOM 548 CA LEU A 34 -21.705 -2.027 -6.298 1.00 0.00 C ATOM 549 C LEU A 34 -21.654 -0.562 -5.844 1.00 0.00 C ATOM 550 O LEU A 34 -20.781 0.188 -6.241 1.00 0.00 O ATOM 551 CB LEU A 34 -20.308 -2.500 -6.745 1.00 0.00 C ATOM 552 CG LEU A 34 -19.820 -3.665 -5.867 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.596 -3.169 -4.438 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.854 -4.805 -5.865 1.00 0.00 C ATOM 0 H LEU A 34 -22.121 -2.606 -8.317 1.00 0.00 H new ATOM 0 HA LEU A 34 -22.083 -2.602 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.342 -2.814 -7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.602 -1.672 -6.684 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.882 -4.044 -6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.250 -3.995 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.846 -2.378 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.532 -2.780 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.494 -5.622 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.801 -4.436 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.000 -5.165 -6.883 1.00 0.00 H new ATOM 566 N SER A 35 -22.580 -0.157 -5.015 1.00 0.00 N ATOM 567 CA SER A 35 -22.593 1.256 -4.526 1.00 0.00 C ATOM 568 C SER A 35 -21.573 1.417 -3.400 1.00 0.00 C ATOM 569 O SER A 35 -21.050 0.443 -2.894 1.00 0.00 O ATOM 570 CB SER A 35 -24.010 1.486 -4.005 1.00 0.00 C ATOM 571 OG SER A 35 -24.279 0.565 -2.956 1.00 0.00 O ATOM 0 H SER A 35 -23.331 -0.745 -4.654 1.00 0.00 H new ATOM 0 HA SER A 35 -22.332 1.971 -5.306 1.00 0.00 H new ATOM 0 HB2 SER A 35 -24.115 2.509 -3.643 1.00 0.00 H new ATOM 0 HB3 SER A 35 -24.732 1.358 -4.812 1.00 0.00 H new ATOM 0 HG SER A 35 -25.187 0.711 -2.618 1.00 0.00 H new ATOM 577 N ILE A 36 -21.290 2.636 -2.995 1.00 0.00 N ATOM 578 CA ILE A 36 -20.297 2.859 -1.888 1.00 0.00 C ATOM 579 C ILE A 36 -20.630 1.968 -0.684 1.00 0.00 C ATOM 580 O ILE A 36 -19.763 1.600 0.085 1.00 0.00 O ATOM 581 CB ILE A 36 -20.423 4.343 -1.512 1.00 0.00 C ATOM 582 CG1 ILE A 36 -19.970 5.223 -2.691 1.00 0.00 C ATOM 583 CG2 ILE A 36 -19.553 4.645 -0.282 1.00 0.00 C ATOM 584 CD1 ILE A 36 -18.508 4.926 -3.048 1.00 0.00 C ATOM 0 H ILE A 36 -21.702 3.485 -3.382 1.00 0.00 H new ATOM 0 HA ILE A 36 -19.283 2.608 -2.198 1.00 0.00 H new ATOM 0 HB ILE A 36 -21.465 4.562 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -20.607 5.039 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -20.081 6.276 -2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.646 5.699 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.883 4.032 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.511 4.419 -0.509 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.202 5.556 -3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.874 5.133 -2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -18.408 3.878 -3.329 1.00 0.00 H new ATOM 596 N GLY A 37 -21.881 1.615 -0.528 1.00 0.00 N ATOM 597 CA GLY A 37 -22.278 0.743 0.612 1.00 0.00 C ATOM 598 C GLY A 37 -21.508 -0.574 0.527 1.00 0.00 C ATOM 599 O GLY A 37 -20.661 -0.848 1.347 1.00 0.00 O ATOM 0 H GLY A 37 -22.644 1.895 -1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -22.067 1.242 1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -23.351 0.553 0.584 1.00 0.00 H new ATOM 603 N ASP A 38 -21.803 -1.387 -0.456 1.00 0.00 N ATOM 604 CA ASP A 38 -21.097 -2.700 -0.591 1.00 0.00 C ATOM 605 C ASP A 38 -19.693 -2.536 -1.196 1.00 0.00 C ATOM 606 O ASP A 38 -18.876 -3.433 -1.103 1.00 0.00 O ATOM 607 CB ASP A 38 -21.985 -3.535 -1.517 1.00 0.00 C ATOM 608 CG ASP A 38 -21.411 -4.948 -1.641 1.00 0.00 C ATOM 609 OD1 ASP A 38 -21.211 -5.578 -0.615 1.00 0.00 O ATOM 610 OD2 ASP A 38 -21.181 -5.376 -2.760 1.00 0.00 O ATOM 0 H ASP A 38 -22.504 -1.199 -1.173 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.949 -3.169 0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -23.000 -3.577 -1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -22.044 -3.068 -2.500 1.00 0.00 H new ATOM 615 N THR A 39 -19.395 -1.408 -1.803 1.00 0.00 N ATOM 616 CA THR A 39 -18.029 -1.218 -2.393 1.00 0.00 C ATOM 617 C THR A 39 -16.981 -1.301 -1.279 1.00 0.00 C ATOM 618 O THR A 39 -15.933 -1.899 -1.443 1.00 0.00 O ATOM 619 CB THR A 39 -18.037 0.175 -3.040 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.945 0.179 -4.132 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.633 0.526 -3.552 1.00 0.00 C ATOM 0 H THR A 39 -20.032 -0.619 -1.914 1.00 0.00 H new ATOM 0 HA THR A 39 -17.785 -1.983 -3.130 1.00 0.00 H new ATOM 0 HB THR A 39 -18.343 0.912 -2.297 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.799 -0.209 -3.849 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.649 1.515 -4.009 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.930 0.523 -2.719 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.321 -0.211 -4.292 1.00 0.00 H new ATOM 629 N ALA A 40 -17.269 -0.717 -0.147 1.00 0.00 N ATOM 630 CA ALA A 40 -16.305 -0.768 0.989 1.00 0.00 C ATOM 631 C ALA A 40 -16.165 -2.214 1.468 1.00 0.00 C ATOM 632 O ALA A 40 -15.094 -2.656 1.837 1.00 0.00 O ATOM 633 CB ALA A 40 -16.924 0.104 2.085 1.00 0.00 C ATOM 0 H ALA A 40 -18.132 -0.206 0.040 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.312 -0.414 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.268 0.114 2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.050 1.121 1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.896 -0.302 2.367 1.00 0.00 H new ATOM 639 N LYS A 41 -17.249 -2.945 1.469 1.00 0.00 N ATOM 640 CA LYS A 41 -17.208 -4.366 1.932 1.00 0.00 C ATOM 641 C LYS A 41 -16.446 -5.226 0.924 1.00 0.00 C ATOM 642 O LYS A 41 -15.801 -6.191 1.290 1.00 0.00 O ATOM 643 CB LYS A 41 -18.674 -4.815 2.019 1.00 0.00 C ATOM 644 CG LYS A 41 -19.302 -4.306 3.323 1.00 0.00 C ATOM 645 CD LYS A 41 -19.438 -2.791 3.260 1.00 0.00 C ATOM 646 CE LYS A 41 -20.568 -2.327 4.183 1.00 0.00 C ATOM 647 NZ LYS A 41 -19.893 -1.573 5.277 1.00 0.00 N ATOM 0 H LYS A 41 -18.167 -2.618 1.167 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.700 -4.466 2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -19.231 -4.433 1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.733 -5.903 1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -20.280 -4.764 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.683 -4.592 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -18.500 -2.321 3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -19.642 -2.478 2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -21.278 -1.695 3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.128 -3.175 4.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.606 -1.224 5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -19.228 -2.201 5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -19.373 -0.767 4.874 1.00 0.00 H new ATOM 661 N LYS A 42 -16.508 -4.889 -0.343 1.00 0.00 N ATOM 662 CA LYS A 42 -15.776 -5.690 -1.376 1.00 0.00 C ATOM 663 C LYS A 42 -14.265 -5.421 -1.295 1.00 0.00 C ATOM 664 O LYS A 42 -13.474 -6.123 -1.897 1.00 0.00 O ATOM 665 CB LYS A 42 -16.333 -5.209 -2.730 1.00 0.00 C ATOM 666 CG LYS A 42 -17.086 -6.345 -3.429 1.00 0.00 C ATOM 667 CD LYS A 42 -18.453 -6.540 -2.766 1.00 0.00 C ATOM 668 CE LYS A 42 -18.322 -7.505 -1.585 1.00 0.00 C ATOM 669 NZ LYS A 42 -19.503 -8.408 -1.692 1.00 0.00 N ATOM 0 H LYS A 42 -17.034 -4.094 -0.706 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.916 -6.762 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.001 -4.362 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.517 -4.861 -3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.213 -6.114 -4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.508 -7.267 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.841 -5.581 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -19.167 -6.932 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.389 -8.067 -1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.320 -6.969 -0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.483 -9.099 -0.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -20.376 -7.846 -1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -19.475 -8.910 -2.602 1.00 0.00 H new ATOM 683 N LEU A 43 -13.859 -4.413 -0.558 1.00 0.00 N ATOM 684 CA LEU A 43 -12.405 -4.103 -0.442 1.00 0.00 C ATOM 685 C LEU A 43 -11.833 -4.723 0.837 1.00 0.00 C ATOM 686 O LEU A 43 -10.663 -5.043 0.912 1.00 0.00 O ATOM 687 CB LEU A 43 -12.334 -2.578 -0.378 1.00 0.00 C ATOM 688 CG LEU A 43 -12.829 -1.989 -1.699 1.00 0.00 C ATOM 689 CD1 LEU A 43 -13.050 -0.484 -1.537 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.785 -2.236 -2.790 1.00 0.00 C ATOM 0 H LEU A 43 -14.476 -3.793 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.827 -4.505 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.943 -2.209 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.310 -2.259 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.768 -2.466 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.403 -0.065 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.794 -0.307 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.111 -0.007 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.137 -1.816 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.846 -1.760 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.627 -3.308 -2.907 1.00 0.00 H new ATOM 702 N GLY A 44 -12.656 -4.892 1.843 1.00 0.00 N ATOM 703 CA GLY A 44 -12.173 -5.490 3.123 1.00 0.00 C ATOM 704 C GLY A 44 -12.327 -7.010 3.070 1.00 0.00 C ATOM 705 O GLY A 44 -11.426 -7.746 3.427 1.00 0.00 O ATOM 0 H GLY A 44 -13.644 -4.640 1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.128 -5.226 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.740 -5.086 3.962 1.00 0.00 H new ATOM 709 N GLU A 45 -13.468 -7.489 2.631 1.00 0.00 N ATOM 710 CA GLU A 45 -13.697 -8.971 2.555 1.00 0.00 C ATOM 711 C GLU A 45 -12.552 -9.662 1.803 1.00 0.00 C ATOM 712 O GLU A 45 -12.200 -10.790 2.092 1.00 0.00 O ATOM 713 CB GLU A 45 -15.012 -9.136 1.789 1.00 0.00 C ATOM 714 CG GLU A 45 -15.495 -10.582 1.911 1.00 0.00 C ATOM 715 CD GLU A 45 -16.905 -10.700 1.331 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.845 -10.391 2.045 1.00 0.00 O ATOM 717 OE2 GLU A 45 -17.022 -11.097 0.183 1.00 0.00 O ATOM 0 H GLU A 45 -14.253 -6.917 2.321 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.739 -9.423 3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.765 -8.455 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.869 -8.876 0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.815 -11.249 1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.494 -10.890 2.957 1.00 0.00 H new ATOM 724 N MET A 46 -11.966 -8.985 0.849 1.00 0.00 N ATOM 725 CA MET A 46 -10.838 -9.589 0.080 1.00 0.00 C ATOM 726 C MET A 46 -9.514 -9.312 0.797 1.00 0.00 C ATOM 727 O MET A 46 -8.655 -10.169 0.887 1.00 0.00 O ATOM 728 CB MET A 46 -10.864 -8.893 -1.281 1.00 0.00 C ATOM 729 CG MET A 46 -12.123 -9.308 -2.044 1.00 0.00 C ATOM 730 SD MET A 46 -11.976 -8.795 -3.774 1.00 0.00 S ATOM 731 CE MET A 46 -10.867 -10.120 -4.312 1.00 0.00 C ATOM 0 H MET A 46 -12.221 -8.038 0.569 1.00 0.00 H new ATOM 0 HA MET A 46 -10.934 -10.670 -0.017 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.847 -7.811 -1.148 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.975 -9.158 -1.854 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.258 -10.388 -1.984 1.00 0.00 H new ATOM 0 HG3 MET A 46 -13.003 -8.851 -1.591 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.969 -9.687 -4.752 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.591 -10.734 -3.455 1.00 0.00 H new ATOM 0 HE3 MET A 46 -11.372 -10.738 -5.054 1.00 0.00 H new ATOM 741 N TRP A 47 -9.346 -8.115 1.304 1.00 0.00 N ATOM 742 CA TRP A 47 -8.077 -7.766 2.016 1.00 0.00 C ATOM 743 C TRP A 47 -7.825 -8.729 3.185 1.00 0.00 C ATOM 744 O TRP A 47 -6.704 -8.887 3.630 1.00 0.00 O ATOM 745 CB TRP A 47 -8.281 -6.339 2.534 1.00 0.00 C ATOM 746 CG TRP A 47 -7.026 -5.862 3.196 1.00 0.00 C ATOM 747 CD1 TRP A 47 -6.855 -5.730 4.532 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.768 -5.462 2.581 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.571 -5.273 4.774 1.00 0.00 N ATOM 750 CE2 TRP A 47 -4.863 -5.092 3.603 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.328 -5.383 1.247 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.569 -4.659 3.314 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.025 -4.948 0.952 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.148 -4.587 1.983 1.00 0.00 C ATOM 0 H TRP A 47 -10.034 -7.364 1.255 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.213 -7.841 1.356 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.544 -5.676 1.710 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.110 -6.313 3.241 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.598 -5.946 5.285 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.194 -5.092 5.704 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.996 -5.659 0.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.897 -4.381 4.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.698 -4.892 -0.076 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.148 -4.253 1.750 1.00 0.00 H new ATOM 765 N SER A 48 -8.854 -9.371 3.683 1.00 0.00 N ATOM 766 CA SER A 48 -8.667 -10.320 4.821 1.00 0.00 C ATOM 767 C SER A 48 -8.482 -11.744 4.294 1.00 0.00 C ATOM 768 O SER A 48 -7.726 -12.525 4.843 1.00 0.00 O ATOM 769 CB SER A 48 -9.954 -10.212 5.643 1.00 0.00 C ATOM 770 OG SER A 48 -9.690 -9.480 6.833 1.00 0.00 O ATOM 0 H SER A 48 -9.814 -9.278 3.350 1.00 0.00 H new ATOM 0 HA SER A 48 -7.784 -10.085 5.416 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.730 -9.715 5.061 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.327 -11.206 5.889 1.00 0.00 H new ATOM 0 HG SER A 48 -10.512 -9.407 7.361 1.00 0.00 H new ATOM 776 N GLU A 49 -9.164 -12.085 3.229 1.00 0.00 N ATOM 777 CA GLU A 49 -9.030 -13.460 2.655 1.00 0.00 C ATOM 778 C GLU A 49 -7.585 -13.704 2.215 1.00 0.00 C ATOM 779 O GLU A 49 -7.077 -14.806 2.306 1.00 0.00 O ATOM 780 CB GLU A 49 -9.970 -13.488 1.447 1.00 0.00 C ATOM 781 CG GLU A 49 -11.380 -13.862 1.905 1.00 0.00 C ATOM 782 CD GLU A 49 -12.251 -14.163 0.682 1.00 0.00 C ATOM 783 OE1 GLU A 49 -12.829 -13.230 0.149 1.00 0.00 O ATOM 784 OE2 GLU A 49 -12.324 -15.319 0.302 1.00 0.00 O ATOM 0 H GLU A 49 -9.808 -11.470 2.732 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.282 -14.235 3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.981 -12.513 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.612 -14.208 0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.342 -14.732 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.815 -13.046 2.482 1.00 0.00 H new ATOM 791 N GLN A 50 -6.921 -12.680 1.740 1.00 0.00 N ATOM 792 CA GLN A 50 -5.503 -12.838 1.289 1.00 0.00 C ATOM 793 C GLN A 50 -4.631 -13.361 2.434 1.00 0.00 C ATOM 794 O GLN A 50 -4.891 -13.099 3.594 1.00 0.00 O ATOM 795 CB GLN A 50 -5.053 -11.435 0.875 1.00 0.00 C ATOM 796 CG GLN A 50 -5.807 -11.007 -0.386 1.00 0.00 C ATOM 797 CD GLN A 50 -5.022 -11.443 -1.623 1.00 0.00 C ATOM 798 OE1 GLN A 50 -4.711 -12.607 -1.781 1.00 0.00 O ATOM 799 NE2 GLN A 50 -4.686 -10.551 -2.515 1.00 0.00 N ATOM 0 H GLN A 50 -7.301 -11.738 1.645 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.415 -13.553 0.471 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.243 -10.728 1.682 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.979 -11.426 0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.801 -11.454 -0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.943 -9.926 -0.391 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.947 -9.574 -2.383 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.163 -10.831 -3.344 1.00 0.00 H new ATOM 808 N SER A 51 -3.597 -14.093 2.112 1.00 0.00 N ATOM 809 CA SER A 51 -2.694 -14.635 3.170 1.00 0.00 C ATOM 810 C SER A 51 -1.576 -13.626 3.458 1.00 0.00 C ATOM 811 O SER A 51 -1.755 -12.434 3.291 1.00 0.00 O ATOM 812 CB SER A 51 -2.131 -15.927 2.575 1.00 0.00 C ATOM 813 OG SER A 51 -1.426 -16.639 3.585 1.00 0.00 O ATOM 0 H SER A 51 -3.338 -14.340 1.157 1.00 0.00 H new ATOM 0 HA SER A 51 -3.205 -14.818 4.115 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.939 -16.541 2.178 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.465 -15.698 1.743 1.00 0.00 H new ATOM 0 HG SER A 51 -1.065 -17.469 3.209 1.00 0.00 H new ATOM 819 N ALA A 52 -0.425 -14.088 3.885 1.00 0.00 N ATOM 820 CA ALA A 52 0.701 -13.150 4.177 1.00 0.00 C ATOM 821 C ALA A 52 1.466 -12.824 2.888 1.00 0.00 C ATOM 822 O ALA A 52 2.668 -12.997 2.810 1.00 0.00 O ATOM 823 CB ALA A 52 1.596 -13.903 5.161 1.00 0.00 C ATOM 0 H ALA A 52 -0.218 -15.074 4.043 1.00 0.00 H new ATOM 0 HA ALA A 52 0.355 -12.201 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.450 -13.280 5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.028 -14.142 6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.949 -14.825 4.699 1.00 0.00 H new ATOM 829 N LYS A 53 0.776 -12.355 1.879 1.00 0.00 N ATOM 830 CA LYS A 53 1.454 -12.017 0.590 1.00 0.00 C ATOM 831 C LYS A 53 0.930 -10.684 0.043 1.00 0.00 C ATOM 832 O LYS A 53 1.687 -9.867 -0.446 1.00 0.00 O ATOM 833 CB LYS A 53 1.092 -13.161 -0.358 1.00 0.00 C ATOM 834 CG LYS A 53 2.055 -14.330 -0.141 1.00 0.00 C ATOM 835 CD LYS A 53 1.752 -15.435 -1.154 1.00 0.00 C ATOM 836 CE LYS A 53 2.803 -16.540 -1.035 1.00 0.00 C ATOM 837 NZ LYS A 53 2.379 -17.350 0.140 1.00 0.00 N ATOM 0 H LYS A 53 -0.231 -12.191 1.892 1.00 0.00 H new ATOM 0 HA LYS A 53 2.532 -11.908 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.066 -13.484 -0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.144 -12.820 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.085 -13.992 -0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.954 -14.715 0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.758 -15.844 -0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.752 -15.026 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.842 -17.147 -1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.799 -16.123 -0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.959 -18.212 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.503 -16.793 1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.378 -17.613 0.038 1.00 0.00 H new ATOM 851 N ASP A 54 -0.358 -10.462 0.123 1.00 0.00 N ATOM 852 CA ASP A 54 -0.935 -9.181 -0.392 1.00 0.00 C ATOM 853 C ASP A 54 -0.370 -7.993 0.384 1.00 0.00 C ATOM 854 O ASP A 54 -0.125 -6.943 -0.177 1.00 0.00 O ATOM 855 CB ASP A 54 -2.444 -9.298 -0.168 1.00 0.00 C ATOM 856 CG ASP A 54 -3.172 -8.273 -1.041 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.885 -8.224 -2.226 1.00 0.00 O ATOM 858 OD2 ASP A 54 -4.003 -7.555 -0.510 1.00 0.00 O ATOM 0 H ASP A 54 -1.035 -11.112 0.522 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.692 -9.018 -1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.782 -10.305 -0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.680 -9.130 0.883 1.00 0.00 H new ATOM 863 N LYS A 55 -0.167 -8.143 1.670 1.00 0.00 N ATOM 864 CA LYS A 55 0.375 -7.012 2.480 1.00 0.00 C ATOM 865 C LYS A 55 1.895 -7.135 2.644 1.00 0.00 C ATOM 866 O LYS A 55 2.466 -6.552 3.541 1.00 0.00 O ATOM 867 CB LYS A 55 -0.321 -7.126 3.837 1.00 0.00 C ATOM 868 CG LYS A 55 0.075 -5.942 4.721 1.00 0.00 C ATOM 869 CD LYS A 55 -1.003 -5.716 5.784 1.00 0.00 C ATOM 870 CE LYS A 55 -0.832 -6.738 6.910 1.00 0.00 C ATOM 871 NZ LYS A 55 -1.944 -6.454 7.859 1.00 0.00 N ATOM 0 H LYS A 55 -0.353 -8.999 2.192 1.00 0.00 H new ATOM 0 HA LYS A 55 0.192 -6.049 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.402 -7.145 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.044 -8.062 4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.036 -6.136 5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.196 -5.045 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.929 -4.704 6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.993 -5.812 5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.888 -7.758 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.138 -6.632 7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.894 -7.115 8.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.860 -5.479 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.855 -6.569 7.371 1.00 0.00 H new ATOM 885 N GLN A 56 2.555 -7.880 1.791 1.00 0.00 N ATOM 886 CA GLN A 56 4.040 -8.012 1.919 1.00 0.00 C ATOM 887 C GLN A 56 4.733 -6.884 1.131 1.00 0.00 C ATOM 888 O GLN A 56 5.461 -6.105 1.712 1.00 0.00 O ATOM 889 CB GLN A 56 4.389 -9.392 1.354 1.00 0.00 C ATOM 890 CG GLN A 56 4.611 -10.379 2.503 1.00 0.00 C ATOM 891 CD GLN A 56 5.562 -11.487 2.046 1.00 0.00 C ATOM 892 OE1 GLN A 56 6.745 -11.263 1.891 1.00 0.00 O ATOM 893 NE2 GLN A 56 5.090 -12.683 1.821 1.00 0.00 N ATOM 0 H GLN A 56 2.135 -8.398 1.019 1.00 0.00 H new ATOM 0 HA GLN A 56 4.377 -7.926 2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.585 -9.745 0.709 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.286 -9.327 0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.028 -9.861 3.367 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.660 -10.808 2.817 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.096 -12.872 1.951 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.715 -13.429 1.515 1.00 0.00 H new ATOM 902 N PRO A 57 4.486 -6.808 -0.163 1.00 0.00 N ATOM 903 CA PRO A 57 5.105 -5.731 -0.975 1.00 0.00 C ATOM 904 C PRO A 57 4.305 -4.427 -0.832 1.00 0.00 C ATOM 905 O PRO A 57 4.816 -3.348 -1.063 1.00 0.00 O ATOM 906 CB PRO A 57 4.995 -6.246 -2.402 1.00 0.00 C ATOM 907 CG PRO A 57 3.819 -7.169 -2.394 1.00 0.00 C ATOM 908 CD PRO A 57 3.643 -7.689 -0.989 1.00 0.00 C ATOM 0 HA PRO A 57 6.129 -5.512 -0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.849 -5.427 -3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.903 -6.767 -2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.921 -6.645 -2.721 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.978 -7.994 -3.088 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.599 -7.646 -0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.957 -8.730 -0.908 1.00 0.00 H new ATOM 916 N TYR A 58 3.045 -4.530 -0.486 1.00 0.00 N ATOM 917 CA TYR A 58 2.185 -3.310 -0.361 1.00 0.00 C ATOM 918 C TYR A 58 2.383 -2.608 0.990 1.00 0.00 C ATOM 919 O TYR A 58 2.063 -1.443 1.131 1.00 0.00 O ATOM 920 CB TYR A 58 0.752 -3.837 -0.488 1.00 0.00 C ATOM 921 CG TYR A 58 0.266 -3.662 -1.908 1.00 0.00 C ATOM 922 CD1 TYR A 58 -0.341 -2.461 -2.298 1.00 0.00 C ATOM 923 CD2 TYR A 58 0.424 -4.700 -2.833 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.792 -2.301 -3.614 1.00 0.00 C ATOM 925 CE2 TYR A 58 -0.027 -4.539 -4.149 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.635 -3.339 -4.540 1.00 0.00 C ATOM 927 OH TYR A 58 -1.079 -3.181 -5.836 1.00 0.00 O ATOM 0 H TYR A 58 2.572 -5.411 -0.284 1.00 0.00 H new ATOM 0 HA TYR A 58 2.431 -2.566 -1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.716 -4.890 -0.209 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.096 -3.302 0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.461 -1.659 -1.584 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.894 -5.625 -2.532 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.261 -1.376 -3.915 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.094 -5.340 -4.863 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.743 -2.461 -5.869 1.00 0.00 H new ATOM 937 N GLU A 59 2.896 -3.296 1.983 1.00 0.00 N ATOM 938 CA GLU A 59 3.093 -2.643 3.317 1.00 0.00 C ATOM 939 C GLU A 59 4.401 -1.834 3.341 1.00 0.00 C ATOM 940 O GLU A 59 4.561 -0.928 4.138 1.00 0.00 O ATOM 941 CB GLU A 59 3.118 -3.793 4.339 1.00 0.00 C ATOM 942 CG GLU A 59 4.408 -4.616 4.205 1.00 0.00 C ATOM 943 CD GLU A 59 5.498 -4.005 5.087 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.380 -4.106 6.296 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.433 -3.445 4.536 1.00 0.00 O ATOM 0 H GLU A 59 3.185 -4.273 1.929 1.00 0.00 H new ATOM 0 HA GLU A 59 2.298 -1.933 3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.042 -3.389 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.253 -4.438 4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.225 -5.649 4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.734 -4.633 3.165 1.00 0.00 H new ATOM 952 N GLN A 60 5.331 -2.152 2.473 1.00 0.00 N ATOM 953 CA GLN A 60 6.623 -1.399 2.445 1.00 0.00 C ATOM 954 C GLN A 60 6.479 -0.120 1.611 1.00 0.00 C ATOM 955 O GLN A 60 7.211 0.834 1.796 1.00 0.00 O ATOM 956 CB GLN A 60 7.645 -2.353 1.814 1.00 0.00 C ATOM 957 CG GLN A 60 7.200 -2.754 0.403 1.00 0.00 C ATOM 958 CD GLN A 60 8.404 -3.287 -0.378 1.00 0.00 C ATOM 959 OE1 GLN A 60 8.886 -2.641 -1.287 1.00 0.00 O ATOM 960 NE2 GLN A 60 8.910 -4.446 -0.060 1.00 0.00 N ATOM 0 H GLN A 60 5.251 -2.900 1.784 1.00 0.00 H new ATOM 0 HA GLN A 60 6.933 -1.088 3.443 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.623 -1.873 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.754 -3.242 2.435 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.422 -3.516 0.458 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.770 -1.895 -0.112 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.504 -4.987 0.703 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.711 -4.811 -0.575 1.00 0.00 H new ATOM 969 N LYS A 61 5.538 -0.093 0.699 1.00 0.00 N ATOM 970 CA LYS A 61 5.341 1.125 -0.145 1.00 0.00 C ATOM 971 C LYS A 61 4.956 2.311 0.740 1.00 0.00 C ATOM 972 O LYS A 61 5.506 3.391 0.617 1.00 0.00 O ATOM 973 CB LYS A 61 4.199 0.771 -1.104 1.00 0.00 C ATOM 974 CG LYS A 61 3.918 1.954 -2.034 1.00 0.00 C ATOM 975 CD LYS A 61 3.018 1.498 -3.184 1.00 0.00 C ATOM 976 CE LYS A 61 2.954 2.596 -4.248 1.00 0.00 C ATOM 977 NZ LYS A 61 1.926 2.128 -5.219 1.00 0.00 N ATOM 0 H LYS A 61 4.898 -0.863 0.503 1.00 0.00 H new ATOM 0 HA LYS A 61 6.244 1.407 -0.686 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.463 -0.109 -1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.302 0.520 -0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.437 2.760 -1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.854 2.352 -2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.405 0.577 -3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.017 1.279 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.677 3.555 -3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.921 2.734 -4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.824 2.829 -5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.221 1.217 -5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.015 2.012 -4.731 1.00 0.00 H new ATOM 991 N ALA A 62 4.019 2.117 1.631 1.00 0.00 N ATOM 992 CA ALA A 62 3.595 3.230 2.531 1.00 0.00 C ATOM 993 C ALA A 62 4.649 3.489 3.616 1.00 0.00 C ATOM 994 O ALA A 62 4.578 4.473 4.328 1.00 0.00 O ATOM 995 CB ALA A 62 2.284 2.764 3.162 1.00 0.00 C ATOM 0 H ALA A 62 3.528 1.234 1.774 1.00 0.00 H new ATOM 0 HA ALA A 62 3.476 4.165 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.912 3.534 3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.548 2.582 2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.456 1.843 3.720 1.00 0.00 H new ATOM 1001 N ALA A 63 5.634 2.629 3.737 1.00 0.00 N ATOM 1002 CA ALA A 63 6.696 2.849 4.763 1.00 0.00 C ATOM 1003 C ALA A 63 7.795 3.767 4.204 1.00 0.00 C ATOM 1004 O ALA A 63 8.747 4.086 4.892 1.00 0.00 O ATOM 1005 CB ALA A 63 7.255 1.457 5.057 1.00 0.00 C ATOM 0 H ALA A 63 5.745 1.788 3.170 1.00 0.00 H new ATOM 0 HA ALA A 63 6.310 3.331 5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.044 1.532 5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.457 0.817 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.663 1.028 4.142 1.00 0.00 H new ATOM 1011 N LYS A 64 7.671 4.201 2.969 1.00 0.00 N ATOM 1012 CA LYS A 64 8.696 5.104 2.371 1.00 0.00 C ATOM 1013 C LYS A 64 8.152 6.530 2.292 1.00 0.00 C ATOM 1014 O LYS A 64 8.887 7.496 2.371 1.00 0.00 O ATOM 1015 CB LYS A 64 8.909 4.555 0.966 1.00 0.00 C ATOM 1016 CG LYS A 64 9.709 3.254 1.034 1.00 0.00 C ATOM 1017 CD LYS A 64 11.164 3.559 1.399 1.00 0.00 C ATOM 1018 CE LYS A 64 11.964 2.255 1.434 1.00 0.00 C ATOM 1019 NZ LYS A 64 13.376 2.664 1.191 1.00 0.00 N ATOM 0 H LYS A 64 6.896 3.963 2.350 1.00 0.00 H new ATOM 0 HA LYS A 64 9.616 5.137 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.947 4.376 0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.439 5.287 0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.271 2.585 1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.665 2.739 0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.597 4.245 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.211 4.053 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.858 1.752 2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.618 1.558 0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.988 1.823 1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.447 3.134 0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.680 3.321 1.937 1.00 0.00 H new ATOM 1033 N LEU A 65 6.862 6.654 2.159 1.00 0.00 N ATOM 1034 CA LEU A 65 6.226 8.002 2.100 1.00 0.00 C ATOM 1035 C LEU A 65 5.925 8.503 3.517 1.00 0.00 C ATOM 1036 O LEU A 65 5.658 9.674 3.722 1.00 0.00 O ATOM 1037 CB LEU A 65 4.928 7.793 1.320 1.00 0.00 C ATOM 1038 CG LEU A 65 5.220 7.851 -0.179 1.00 0.00 C ATOM 1039 CD1 LEU A 65 5.672 6.473 -0.665 1.00 0.00 C ATOM 1040 CD2 LEU A 65 3.950 8.262 -0.929 1.00 0.00 C ATOM 0 H LEU A 65 6.212 5.871 2.088 1.00 0.00 H new ATOM 0 HA LEU A 65 6.870 8.744 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.487 6.830 1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.201 8.559 1.590 1.00 0.00 H new ATOM 0 HG LEU A 65 6.008 8.580 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.880 6.515 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.575 6.177 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.884 5.744 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.156 8.304 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.163 7.532 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.625 9.243 -0.584 1.00 0.00 H new ATOM 1052 N LYS A 66 5.977 7.632 4.501 1.00 0.00 N ATOM 1053 CA LYS A 66 5.708 8.061 5.902 1.00 0.00 C ATOM 1054 C LYS A 66 6.925 8.807 6.449 1.00 0.00 C ATOM 1055 O LYS A 66 6.801 9.694 7.274 1.00 0.00 O ATOM 1056 CB LYS A 66 5.478 6.765 6.683 1.00 0.00 C ATOM 1057 CG LYS A 66 5.157 7.093 8.144 1.00 0.00 C ATOM 1058 CD LYS A 66 3.642 7.065 8.355 1.00 0.00 C ATOM 1059 CE LYS A 66 3.334 6.697 9.809 1.00 0.00 C ATOM 1060 NZ LYS A 66 1.866 6.446 9.839 1.00 0.00 N ATOM 0 H LYS A 66 6.195 6.642 4.387 1.00 0.00 H new ATOM 0 HA LYS A 66 4.852 8.731 5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.658 6.202 6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.365 6.134 6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.640 6.372 8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.552 8.075 8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.213 8.038 8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.184 6.341 7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.892 5.814 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.611 7.504 10.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.578 6.188 10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.361 7.306 9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.633 5.669 9.189 1.00 0.00 H new ATOM 1074 N GLU A 67 8.100 8.458 5.986 1.00 0.00 N ATOM 1075 CA GLU A 67 9.331 9.152 6.469 1.00 0.00 C ATOM 1076 C GLU A 67 9.322 10.602 5.985 1.00 0.00 C ATOM 1077 O GLU A 67 9.347 11.528 6.772 1.00 0.00 O ATOM 1078 CB GLU A 67 10.500 8.383 5.851 1.00 0.00 C ATOM 1079 CG GLU A 67 10.680 7.051 6.580 1.00 0.00 C ATOM 1080 CD GLU A 67 11.976 6.384 6.116 1.00 0.00 C ATOM 1081 OE1 GLU A 67 12.091 6.118 4.932 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.831 6.151 6.955 1.00 0.00 O ATOM 0 H GLU A 67 8.259 7.724 5.296 1.00 0.00 H new ATOM 0 HA GLU A 67 9.400 9.172 7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.313 8.207 4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.414 8.973 5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.709 7.215 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.831 6.398 6.380 1.00 0.00 H new ATOM 1089 N LYS A 68 9.288 10.801 4.690 1.00 0.00 N ATOM 1090 CA LYS A 68 9.278 12.193 4.140 1.00 0.00 C ATOM 1091 C LYS A 68 8.048 12.958 4.638 1.00 0.00 C ATOM 1092 O LYS A 68 8.063 14.169 4.732 1.00 0.00 O ATOM 1093 CB LYS A 68 9.222 12.026 2.619 1.00 0.00 C ATOM 1094 CG LYS A 68 10.563 11.488 2.116 1.00 0.00 C ATOM 1095 CD LYS A 68 11.522 12.654 1.868 1.00 0.00 C ATOM 1096 CE LYS A 68 12.317 12.940 3.145 1.00 0.00 C ATOM 1097 NZ LYS A 68 13.621 13.482 2.671 1.00 0.00 N ATOM 0 H LYS A 68 9.267 10.060 3.990 1.00 0.00 H new ATOM 0 HA LYS A 68 10.153 12.760 4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.418 11.342 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.001 12.982 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.989 10.803 2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.417 10.922 1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.201 12.413 1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.964 13.541 1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.799 13.658 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.457 12.034 3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.223 13.703 3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.094 12.774 2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.457 14.348 2.118 1.00 0.00 H new ATOM 1111 N TYR A 69 6.991 12.261 4.974 1.00 0.00 N ATOM 1112 CA TYR A 69 5.767 12.954 5.484 1.00 0.00 C ATOM 1113 C TYR A 69 6.040 13.490 6.893 1.00 0.00 C ATOM 1114 O TYR A 69 6.054 14.683 7.126 1.00 0.00 O ATOM 1115 CB TYR A 69 4.675 11.875 5.510 1.00 0.00 C ATOM 1116 CG TYR A 69 3.369 12.464 5.997 1.00 0.00 C ATOM 1117 CD1 TYR A 69 3.174 12.719 7.361 1.00 0.00 C ATOM 1118 CD2 TYR A 69 2.348 12.753 5.081 1.00 0.00 C ATOM 1119 CE1 TYR A 69 1.962 13.262 7.807 1.00 0.00 C ATOM 1120 CE2 TYR A 69 1.137 13.295 5.529 1.00 0.00 C ATOM 1121 CZ TYR A 69 0.945 13.550 6.891 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.249 14.085 7.332 1.00 0.00 O ATOM 0 H TYR A 69 6.922 11.245 4.918 1.00 0.00 H new ATOM 0 HA TYR A 69 5.471 13.801 4.865 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.544 11.456 4.512 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.978 11.056 6.162 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.959 12.497 8.069 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.495 12.558 4.029 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.813 13.458 8.858 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.351 13.516 4.822 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.846 14.226 6.568 1.00 0.00 H new ATOM 1132 N GLU A 70 6.256 12.604 7.826 1.00 0.00 N ATOM 1133 CA GLU A 70 6.527 13.029 9.235 1.00 0.00 C ATOM 1134 C GLU A 70 7.801 13.885 9.319 1.00 0.00 C ATOM 1135 O GLU A 70 8.025 14.567 10.301 1.00 0.00 O ATOM 1136 CB GLU A 70 6.710 11.726 10.016 1.00 0.00 C ATOM 1137 CG GLU A 70 5.340 11.159 10.392 1.00 0.00 C ATOM 1138 CD GLU A 70 5.507 10.107 11.489 1.00 0.00 C ATOM 1139 OE1 GLU A 70 6.070 10.438 12.519 1.00 0.00 O ATOM 1140 OE2 GLU A 70 5.069 8.988 11.281 1.00 0.00 O ATOM 0 H GLU A 70 6.257 11.595 7.675 1.00 0.00 H new ATOM 0 HA GLU A 70 5.717 13.640 9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.262 11.004 9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.299 11.908 10.915 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.686 11.959 10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.866 10.715 9.517 1.00 0.00 H new ATOM 1147 N LYS A 71 8.642 13.843 8.312 1.00 0.00 N ATOM 1148 CA LYS A 71 9.906 14.643 8.356 1.00 0.00 C ATOM 1149 C LYS A 71 9.769 15.957 7.577 1.00 0.00 C ATOM 1150 O LYS A 71 10.525 16.886 7.792 1.00 0.00 O ATOM 1151 CB LYS A 71 10.958 13.747 7.701 1.00 0.00 C ATOM 1152 CG LYS A 71 11.252 12.553 8.611 1.00 0.00 C ATOM 1153 CD LYS A 71 12.352 11.692 7.987 1.00 0.00 C ATOM 1154 CE LYS A 71 12.593 10.458 8.858 1.00 0.00 C ATOM 1155 NZ LYS A 71 13.659 9.693 8.154 1.00 0.00 N ATOM 0 H LYS A 71 8.508 13.291 7.465 1.00 0.00 H new ATOM 0 HA LYS A 71 10.166 14.922 9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.602 13.399 6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.872 14.313 7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.563 12.901 9.596 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.349 11.960 8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.064 11.389 6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.272 12.270 7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.907 10.739 9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.685 9.865 8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.880 8.831 8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.329 9.433 7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.514 10.280 8.076 1.00 0.00 H new ATOM 1169 N ASP A 72 8.826 16.044 6.671 1.00 0.00 N ATOM 1170 CA ASP A 72 8.665 17.304 5.878 1.00 0.00 C ATOM 1171 C ASP A 72 7.432 18.088 6.335 1.00 0.00 C ATOM 1172 O ASP A 72 7.416 19.305 6.289 1.00 0.00 O ATOM 1173 CB ASP A 72 8.495 16.845 4.429 1.00 0.00 C ATOM 1174 CG ASP A 72 8.593 18.053 3.496 1.00 0.00 C ATOM 1175 OD1 ASP A 72 9.696 18.536 3.297 1.00 0.00 O ATOM 1176 OD2 ASP A 72 7.564 18.474 2.995 1.00 0.00 O ATOM 0 H ASP A 72 8.164 15.302 6.447 1.00 0.00 H new ATOM 0 HA ASP A 72 9.520 17.969 6.004 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.262 16.113 4.176 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.531 16.352 4.303 1.00 0.00 H new ATOM 1181 N ILE A 73 6.400 17.408 6.765 1.00 0.00 N ATOM 1182 CA ILE A 73 5.167 18.125 7.214 1.00 0.00 C ATOM 1183 C ILE A 73 5.459 18.953 8.476 1.00 0.00 C ATOM 1184 O ILE A 73 4.858 19.987 8.701 1.00 0.00 O ATOM 1185 CB ILE A 73 4.126 17.022 7.479 1.00 0.00 C ATOM 1186 CG1 ILE A 73 2.747 17.663 7.649 1.00 0.00 C ATOM 1187 CG2 ILE A 73 4.480 16.224 8.741 1.00 0.00 C ATOM 1188 CD1 ILE A 73 2.233 18.125 6.284 1.00 0.00 C ATOM 0 H ILE A 73 6.357 16.391 6.825 1.00 0.00 H new ATOM 0 HA ILE A 73 4.803 18.832 6.469 1.00 0.00 H new ATOM 0 HB ILE A 73 4.120 16.337 6.631 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.052 16.947 8.089 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.808 18.509 8.333 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.729 15.451 8.906 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.458 15.759 8.615 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.505 16.894 9.600 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.251 18.582 6.401 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.925 18.854 5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.157 17.268 5.615 1.00 0.00 H new