USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 HIS : no HE2:sc= -0.35 K(o=0.77,f=-0.91) USER MOD Set 1.2: A 44 TYR OH : rot 23:sc= 1.12 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0906 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0916 USER MOD Single : A 36 SER OG : rot 12:sc= 0.724 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -32:sc= 0.766 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00529 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc=-0.000454 K(o=-0.00045,f=-0.66) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N LYS A 12 -7.800 8.051 10.321 1.00 0.00 N ATOM 133 CA LYS A 12 -6.428 8.241 9.867 1.00 0.00 C ATOM 134 C LYS A 12 -6.353 8.230 8.343 1.00 0.00 C ATOM 135 O LYS A 12 -5.568 8.966 7.745 1.00 0.00 O ATOM 136 CB LYS A 12 -5.523 7.148 10.440 1.00 0.00 C ATOM 137 CG LYS A 12 -4.903 7.511 11.778 1.00 0.00 C ATOM 138 CD LYS A 12 -3.812 6.530 12.172 1.00 0.00 C ATOM 139 CE LYS A 12 -2.740 7.199 13.018 1.00 0.00 C ATOM 140 NZ LYS A 12 -3.189 7.403 14.423 1.00 0.00 N ATOM 0 HA LYS A 12 -6.085 9.212 10.224 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.102 6.232 10.554 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.727 6.936 9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.487 8.517 11.726 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.676 7.525 12.546 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.250 5.701 12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.359 6.109 11.275 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.837 6.588 13.010 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.477 8.161 12.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.430 7.861 14.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.035 8.007 14.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.415 6.483 14.852 1.00 0.00 H new ATOM 154 N PHE A 13 -7.176 7.393 7.721 1.00 0.00 N ATOM 155 CA PHE A 13 -7.203 7.287 6.266 1.00 0.00 C ATOM 156 C PHE A 13 -8.638 7.290 5.748 1.00 0.00 C ATOM 157 O PHE A 13 -9.483 6.535 6.226 1.00 0.00 O ATOM 158 CB PHE A 13 -6.487 6.013 5.813 1.00 0.00 C ATOM 159 CG PHE A 13 -5.273 5.683 6.633 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.070 6.332 6.406 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.334 4.724 7.631 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.951 6.030 7.159 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.218 4.418 8.388 1.00 0.00 C ATOM 164 CZ PHE A 13 -3.025 5.073 8.151 1.00 0.00 C ATOM 0 H PHE A 13 -7.833 6.778 8.201 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.685 8.152 5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.185 5.177 5.860 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.192 6.123 4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.006 7.082 5.632 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.264 4.209 7.820 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.019 6.543 6.971 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.279 3.668 9.163 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.152 4.837 8.741 1.00 0.00 H new ATOM 174 N ALA A 14 -8.904 8.146 4.766 1.00 0.00 N ATOM 175 CA ALA A 14 -10.235 8.247 4.181 1.00 0.00 C ATOM 176 C ALA A 14 -10.448 7.178 3.115 1.00 0.00 C ATOM 177 O ALA A 14 -9.500 6.737 2.465 1.00 0.00 O ATOM 178 CB ALA A 14 -10.448 9.633 3.590 1.00 0.00 C ATOM 0 H ALA A 14 -8.215 8.779 4.359 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.966 8.085 4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.446 9.694 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.347 10.383 4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.704 9.816 2.815 1.00 0.00 H new ATOM 184 N ASP A 15 -11.699 6.764 2.941 1.00 0.00 N ATOM 185 CA ASP A 15 -12.037 5.746 1.953 1.00 0.00 C ATOM 186 C ASP A 15 -11.661 6.206 0.548 1.00 0.00 C ATOM 187 O ASP A 15 -11.880 7.360 0.182 1.00 0.00 O ATOM 188 CB ASP A 15 -13.531 5.422 2.015 1.00 0.00 C ATOM 189 CG ASP A 15 -14.071 4.929 0.687 1.00 0.00 C ATOM 190 OD1 ASP A 15 -14.120 5.732 -0.268 1.00 0.00 O ATOM 191 OD2 ASP A 15 -14.446 3.740 0.603 1.00 0.00 O ATOM 0 H ASP A 15 -12.495 7.118 3.471 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.468 4.846 2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.704 4.664 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.081 6.313 2.320 1.00 0.00 H new ATOM 196 N GLY A 16 -11.093 5.294 -0.235 1.00 0.00 N ATOM 197 CA GLY A 16 -10.694 5.625 -1.591 1.00 0.00 C ATOM 198 C GLY A 16 -9.311 6.243 -1.653 1.00 0.00 C ATOM 199 O GLY A 16 -8.673 6.245 -2.706 1.00 0.00 O ATOM 0 H GLY A 16 -10.902 4.332 0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.713 4.723 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.418 6.317 -2.021 1.00 0.00 H new ATOM 203 N GLU A 17 -8.848 6.770 -0.524 1.00 0.00 N ATOM 204 CA GLU A 17 -7.533 7.396 -0.457 1.00 0.00 C ATOM 205 C GLU A 17 -6.430 6.376 -0.726 1.00 0.00 C ATOM 206 O GLU A 17 -6.564 5.199 -0.391 1.00 0.00 O ATOM 207 CB GLU A 17 -7.321 8.044 0.913 1.00 0.00 C ATOM 208 CG GLU A 17 -6.383 9.239 0.883 1.00 0.00 C ATOM 209 CD GLU A 17 -5.002 8.884 0.368 1.00 0.00 C ATOM 210 OE1 GLU A 17 -4.480 7.819 0.759 1.00 0.00 O ATOM 211 OE2 GLU A 17 -4.443 9.671 -0.424 1.00 0.00 O ATOM 0 H GLU A 17 -9.364 6.776 0.356 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.486 8.167 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.286 8.360 1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.923 7.298 1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.813 10.018 0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.297 9.654 1.887 1.00 0.00 H new ATOM 218 N VAL A 18 -5.341 6.836 -1.332 1.00 0.00 N ATOM 219 CA VAL A 18 -4.215 5.965 -1.646 1.00 0.00 C ATOM 220 C VAL A 18 -3.125 6.073 -0.585 1.00 0.00 C ATOM 221 O VAL A 18 -2.384 7.055 -0.538 1.00 0.00 O ATOM 222 CB VAL A 18 -3.611 6.302 -3.023 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.472 5.350 -3.353 1.00 0.00 C ATOM 224 CG2 VAL A 18 -4.684 6.257 -4.100 1.00 0.00 C ATOM 0 H VAL A 18 -5.214 7.808 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.599 4.945 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.208 7.314 -2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.058 5.603 -4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.694 5.437 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.847 4.327 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.240 6.497 -5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.119 5.258 -4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.463 6.983 -3.868 1.00 0.00 H new ATOM 234 N VAL A 19 -3.032 5.055 0.265 1.00 0.00 N ATOM 235 CA VAL A 19 -2.031 5.034 1.325 1.00 0.00 C ATOM 236 C VAL A 19 -0.998 3.939 1.084 1.00 0.00 C ATOM 237 O VAL A 19 -1.118 3.155 0.142 1.00 0.00 O ATOM 238 CB VAL A 19 -2.679 4.817 2.705 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.663 5.936 3.015 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.366 3.461 2.764 1.00 0.00 C ATOM 0 H VAL A 19 -3.637 4.235 0.240 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.537 6.005 1.312 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.895 4.835 3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.111 5.766 3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.138 6.892 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.445 5.953 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.818 3.325 3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.140 3.412 1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.633 2.674 2.590 1.00 0.00 H new ATOM 250 N ARG A 20 0.017 3.892 1.940 1.00 0.00 N ATOM 251 CA ARG A 20 1.072 2.893 1.820 1.00 0.00 C ATOM 252 C ARG A 20 0.882 1.776 2.841 1.00 0.00 C ATOM 253 O ARG A 20 0.914 2.012 4.048 1.00 0.00 O ATOM 254 CB ARG A 20 2.444 3.544 2.009 1.00 0.00 C ATOM 255 CG ARG A 20 2.695 4.718 1.077 1.00 0.00 C ATOM 256 CD ARG A 20 3.249 4.257 -0.262 1.00 0.00 C ATOM 257 NE ARG A 20 4.707 4.172 -0.251 1.00 0.00 N ATOM 258 CZ ARG A 20 5.505 5.224 -0.401 1.00 0.00 C ATOM 259 NH1 ARG A 20 4.989 6.433 -0.571 1.00 0.00 N ATOM 260 NH2 ARG A 20 6.822 5.066 -0.380 1.00 0.00 N ATOM 0 H ARG A 20 0.131 4.534 2.724 1.00 0.00 H new ATOM 0 HA ARG A 20 1.017 2.461 0.821 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.536 3.884 3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.218 2.793 1.850 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.765 5.264 0.919 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.396 5.411 1.543 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.831 3.282 -0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.932 4.948 -1.043 1.00 0.00 H new ATOM 0 HE ARG A 20 5.136 3.256 -0.121 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.977 6.558 -0.587 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.604 7.239 -0.686 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.222 4.137 -0.249 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.434 5.874 -0.495 1.00 0.00 H new ATOM 274 N GLY A 21 0.684 0.557 2.348 1.00 0.00 N ATOM 275 CA GLY A 21 0.491 -0.579 3.231 1.00 0.00 C ATOM 276 C GLY A 21 1.624 -1.581 3.142 1.00 0.00 C ATOM 277 O GLY A 21 2.047 -1.955 2.048 1.00 0.00 O ATOM 0 H GLY A 21 0.654 0.336 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.402 -0.226 4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.448 -1.074 2.982 1.00 0.00 H new ATOM 281 N ARG A 22 2.119 -2.018 4.296 1.00 0.00 N ATOM 282 CA ARG A 22 3.212 -2.981 4.343 1.00 0.00 C ATOM 283 C ARG A 22 2.690 -4.404 4.171 1.00 0.00 C ATOM 284 O ARG A 22 2.090 -4.971 5.084 1.00 0.00 O ATOM 285 CB ARG A 22 3.969 -2.861 5.667 1.00 0.00 C ATOM 286 CG ARG A 22 5.280 -3.629 5.691 1.00 0.00 C ATOM 287 CD ARG A 22 6.087 -3.315 6.942 1.00 0.00 C ATOM 288 NE ARG A 22 5.760 -4.214 8.045 1.00 0.00 N ATOM 289 CZ ARG A 22 6.566 -4.435 9.077 1.00 0.00 C ATOM 290 NH1 ARG A 22 7.740 -3.824 9.148 1.00 0.00 N ATOM 291 NH2 ARG A 22 6.197 -5.268 10.042 1.00 0.00 N ATOM 0 H ARG A 22 1.780 -1.720 5.211 1.00 0.00 H new ATOM 0 HA ARG A 22 3.893 -2.760 3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.171 -1.809 5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.332 -3.222 6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.077 -4.699 5.647 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.866 -3.379 4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.151 -3.391 6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.899 -2.285 7.246 1.00 0.00 H new ATOM 0 HE ARG A 22 4.863 -4.699 8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.026 -3.182 8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.357 -3.996 9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.294 -5.739 9.991 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.817 -5.437 10.834 1.00 0.00 H new ATOM 305 N TRP A 23 2.923 -4.975 2.995 1.00 0.00 N ATOM 306 CA TRP A 23 2.475 -6.333 2.703 1.00 0.00 C ATOM 307 C TRP A 23 2.543 -7.208 3.949 1.00 0.00 C ATOM 308 O TRP A 23 3.487 -7.137 4.736 1.00 0.00 O ATOM 309 CB TRP A 23 3.327 -6.943 1.588 1.00 0.00 C ATOM 310 CG TRP A 23 2.660 -8.092 0.893 1.00 0.00 C ATOM 311 CD1 TRP A 23 2.939 -9.419 1.052 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.605 -8.014 -0.071 1.00 0.00 C ATOM 313 NE1 TRP A 23 2.121 -10.171 0.244 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.293 -9.333 -0.455 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.892 -6.959 -0.647 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.300 -9.621 -1.387 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.092 -7.247 -1.572 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.382 -8.569 -1.935 1.00 0.00 C ATOM 0 H TRP A 23 3.419 -4.520 2.228 1.00 0.00 H new ATOM 0 HA TRP A 23 1.437 -6.285 2.373 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.561 -6.171 0.855 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.274 -7.282 2.008 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.692 -9.819 1.715 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.129 -11.189 0.176 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.107 -5.937 -0.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.076 -10.639 -1.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.648 -6.439 -2.024 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.158 -8.761 -2.661 1.00 0.00 H new ATOM 329 N PRO A 24 1.519 -8.055 4.135 1.00 0.00 N ATOM 330 CA PRO A 24 1.441 -8.961 5.285 1.00 0.00 C ATOM 331 C PRO A 24 2.478 -10.076 5.216 1.00 0.00 C ATOM 332 O PRO A 24 2.515 -10.957 6.074 1.00 0.00 O ATOM 333 CB PRO A 24 0.027 -9.539 5.185 1.00 0.00 C ATOM 334 CG PRO A 24 -0.324 -9.434 3.741 1.00 0.00 C ATOM 335 CD PRO A 24 0.360 -8.193 3.238 1.00 0.00 C ATOM 0 HA PRO A 24 1.641 -8.446 6.224 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.003 -10.574 5.525 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.674 -8.980 5.805 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.012 -10.314 3.193 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.403 -9.367 3.606 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.667 -8.297 2.197 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.295 -7.323 3.291 1.00 0.00 H new ATOM 343 N GLY A 25 3.321 -10.032 4.188 1.00 0.00 N ATOM 344 CA GLY A 25 4.348 -11.045 4.026 1.00 0.00 C ATOM 345 C GLY A 25 5.735 -10.447 3.892 1.00 0.00 C ATOM 346 O GLY A 25 6.713 -11.018 4.374 1.00 0.00 O ATOM 0 H GLY A 25 3.311 -9.313 3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.327 -11.719 4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.127 -11.644 3.143 1.00 0.00 H new ATOM 350 N SER A 26 5.820 -9.296 3.233 1.00 0.00 N ATOM 351 CA SER A 26 7.098 -8.624 3.032 1.00 0.00 C ATOM 352 C SER A 26 7.221 -7.406 3.942 1.00 0.00 C ATOM 353 O SER A 26 6.271 -7.033 4.630 1.00 0.00 O ATOM 354 CB SER A 26 7.250 -8.200 1.570 1.00 0.00 C ATOM 355 OG SER A 26 8.616 -8.124 1.200 1.00 0.00 O ATOM 0 H SER A 26 5.019 -8.810 2.829 1.00 0.00 H new ATOM 0 HA SER A 26 7.893 -9.326 3.284 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.735 -8.913 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.774 -7.231 1.418 1.00 0.00 H new ATOM 0 HG SER A 26 8.686 -7.853 0.261 1.00 0.00 H new ATOM 361 N SER A 27 8.399 -6.789 3.939 1.00 0.00 N ATOM 362 CA SER A 27 8.648 -5.615 4.767 1.00 0.00 C ATOM 363 C SER A 27 8.715 -4.352 3.913 1.00 0.00 C ATOM 364 O SER A 27 9.382 -3.381 4.271 1.00 0.00 O ATOM 365 CB SER A 27 9.952 -5.784 5.549 1.00 0.00 C ATOM 366 OG SER A 27 9.723 -6.433 6.788 1.00 0.00 O ATOM 0 H SER A 27 9.195 -7.083 3.373 1.00 0.00 H new ATOM 0 HA SER A 27 7.821 -5.515 5.470 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.662 -6.362 4.958 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.404 -4.808 5.724 1.00 0.00 H new ATOM 0 HG SER A 27 10.572 -6.531 7.268 1.00 0.00 H new ATOM 372 N LEU A 28 8.018 -4.374 2.782 1.00 0.00 N ATOM 373 CA LEU A 28 7.997 -3.231 1.875 1.00 0.00 C ATOM 374 C LEU A 28 6.584 -2.675 1.734 1.00 0.00 C ATOM 375 O LEU A 28 5.603 -3.413 1.828 1.00 0.00 O ATOM 376 CB LEU A 28 8.538 -3.634 0.503 1.00 0.00 C ATOM 377 CG LEU A 28 9.939 -4.247 0.487 1.00 0.00 C ATOM 378 CD1 LEU A 28 10.139 -5.091 -0.762 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.999 -3.158 0.572 1.00 0.00 C ATOM 0 H LEU A 28 7.461 -5.170 2.471 1.00 0.00 H new ATOM 0 HA LEU A 28 8.634 -2.453 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.846 -4.348 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.542 -2.752 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 28 10.041 -4.894 1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.142 -5.519 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.402 -5.894 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.017 -4.466 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.990 -3.613 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.898 -2.485 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.870 -2.596 1.497 1.00 0.00 H new ATOM 391 N TYR A 29 6.488 -1.370 1.505 1.00 0.00 N ATOM 392 CA TYR A 29 5.194 -0.714 1.351 1.00 0.00 C ATOM 393 C TYR A 29 4.875 -0.481 -0.123 1.00 0.00 C ATOM 394 O TYR A 29 5.706 0.025 -0.878 1.00 0.00 O ATOM 395 CB TYR A 29 5.181 0.617 2.104 1.00 0.00 C ATOM 396 CG TYR A 29 5.475 0.480 3.581 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.753 0.169 4.029 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.475 0.662 4.528 1.00 0.00 C ATOM 399 CE1 TYR A 29 7.026 0.043 5.377 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.740 0.539 5.879 1.00 0.00 C ATOM 401 CZ TYR A 29 6.017 0.228 6.298 1.00 0.00 C ATOM 402 OH TYR A 29 6.285 0.104 7.642 1.00 0.00 O ATOM 0 H TYR A 29 7.290 -0.745 1.422 1.00 0.00 H new ATOM 0 HA TYR A 29 4.430 -1.368 1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.916 1.285 1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.205 1.086 1.978 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.546 0.023 3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.474 0.904 4.203 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.025 -0.199 5.708 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.952 0.686 6.603 1.00 0.00 H new ATOM 0 HH TYR A 29 5.466 0.266 8.155 1.00 0.00 H new ATOM 412 N TYR A 30 3.664 -0.852 -0.524 1.00 0.00 N ATOM 413 CA TYR A 30 3.233 -0.686 -1.907 1.00 0.00 C ATOM 414 C TYR A 30 1.971 0.167 -1.986 1.00 0.00 C ATOM 415 O TYR A 30 1.126 0.128 -1.091 1.00 0.00 O ATOM 416 CB TYR A 30 2.982 -2.049 -2.553 1.00 0.00 C ATOM 417 CG TYR A 30 4.162 -2.990 -2.459 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.340 -2.729 -3.149 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.099 -4.140 -1.682 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.421 -3.586 -3.066 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.175 -5.002 -1.593 1.00 0.00 C ATOM 422 CZ TYR A 30 6.333 -4.721 -2.287 1.00 0.00 C ATOM 423 OH TYR A 30 7.407 -5.577 -2.202 1.00 0.00 O ATOM 0 H TYR A 30 2.964 -1.270 0.089 1.00 0.00 H new ATOM 0 HA TYR A 30 4.029 -0.176 -2.449 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.119 -2.514 -2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.727 -1.903 -3.603 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.412 -1.842 -3.760 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.193 -4.364 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.329 -3.368 -3.608 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.110 -5.891 -0.983 1.00 0.00 H new ATOM 0 HH TYR A 30 7.182 -6.327 -1.612 1.00 0.00 H new ATOM 433 N GLU A 31 1.850 0.936 -3.063 1.00 0.00 N ATOM 434 CA GLU A 31 0.690 1.799 -3.259 1.00 0.00 C ATOM 435 C GLU A 31 -0.605 0.998 -3.168 1.00 0.00 C ATOM 436 O GLU A 31 -0.850 0.098 -3.972 1.00 0.00 O ATOM 437 CB GLU A 31 0.774 2.503 -4.615 1.00 0.00 C ATOM 438 CG GLU A 31 -0.162 3.693 -4.741 1.00 0.00 C ATOM 439 CD GLU A 31 0.340 4.728 -5.729 1.00 0.00 C ATOM 440 OE1 GLU A 31 1.366 5.378 -5.437 1.00 0.00 O ATOM 441 OE2 GLU A 31 -0.293 4.888 -6.793 1.00 0.00 O ATOM 0 H GLU A 31 2.540 0.980 -3.813 1.00 0.00 H new ATOM 0 HA GLU A 31 0.689 2.549 -2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.798 2.838 -4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.544 1.785 -5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.146 3.345 -5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.285 4.159 -3.763 1.00 0.00 H new ATOM 448 N VAL A 32 -1.433 1.331 -2.182 1.00 0.00 N ATOM 449 CA VAL A 32 -2.703 0.644 -1.986 1.00 0.00 C ATOM 450 C VAL A 32 -3.829 1.637 -1.720 1.00 0.00 C ATOM 451 O VAL A 32 -3.585 2.777 -1.326 1.00 0.00 O ATOM 452 CB VAL A 32 -2.627 -0.354 -0.815 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.706 -1.514 -1.161 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.161 0.347 0.452 1.00 0.00 C ATOM 0 H VAL A 32 -1.246 2.073 -1.507 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.913 0.098 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.625 -0.754 -0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.665 -2.209 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.087 -2.031 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.705 -1.135 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.113 -0.373 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.173 0.776 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.863 1.140 0.708 1.00 0.00 H new ATOM 464 N GLU A 33 -5.064 1.195 -1.937 1.00 0.00 N ATOM 465 CA GLU A 33 -6.229 2.046 -1.721 1.00 0.00 C ATOM 466 C GLU A 33 -7.024 1.581 -0.505 1.00 0.00 C ATOM 467 O GLU A 33 -6.990 0.406 -0.140 1.00 0.00 O ATOM 468 CB GLU A 33 -7.125 2.046 -2.961 1.00 0.00 C ATOM 469 CG GLU A 33 -8.579 2.370 -2.661 1.00 0.00 C ATOM 470 CD GLU A 33 -9.412 2.533 -3.918 1.00 0.00 C ATOM 471 OE1 GLU A 33 -8.874 3.041 -4.924 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.601 2.152 -3.895 1.00 0.00 O ATOM 0 H GLU A 33 -5.284 0.253 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.877 3.061 -1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.740 2.772 -3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.071 1.068 -3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.005 1.576 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.629 3.288 -2.075 1.00 0.00 H new ATOM 479 N ILE A 34 -7.738 2.513 0.119 1.00 0.00 N ATOM 480 CA ILE A 34 -8.542 2.199 1.293 1.00 0.00 C ATOM 481 C ILE A 34 -9.958 1.796 0.898 1.00 0.00 C ATOM 482 O ILE A 34 -10.761 2.634 0.485 1.00 0.00 O ATOM 483 CB ILE A 34 -8.611 3.393 2.263 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.209 3.764 2.751 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.518 3.068 3.440 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.616 2.755 3.709 1.00 0.00 C ATOM 0 H ILE A 34 -7.776 3.491 -0.169 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.056 1.362 1.794 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.029 4.249 1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.549 3.867 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.249 4.737 3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.556 3.922 4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.522 2.848 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.127 2.201 3.972 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.622 3.083 4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.255 2.669 4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.543 1.785 3.217 1.00 0.00 H new ATOM 498 N LEU A 35 -10.260 0.509 1.030 1.00 0.00 N ATOM 499 CA LEU A 35 -11.582 -0.006 0.689 1.00 0.00 C ATOM 500 C LEU A 35 -12.558 0.192 1.844 1.00 0.00 C ATOM 501 O LEU A 35 -13.651 0.729 1.661 1.00 0.00 O ATOM 502 CB LEU A 35 -11.495 -1.489 0.328 1.00 0.00 C ATOM 503 CG LEU A 35 -10.366 -1.883 -0.625 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.341 -3.390 -0.829 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.518 -1.165 -1.958 1.00 0.00 C ATOM 0 H LEU A 35 -9.608 -0.197 1.371 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.951 0.550 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.382 -2.061 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.442 -1.790 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.418 -1.582 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.531 -3.652 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.183 -3.884 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.291 -3.716 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.706 -1.458 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.473 -1.435 -2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.485 -0.088 -1.797 1.00 0.00 H new ATOM 517 N SER A 36 -12.156 -0.244 3.033 1.00 0.00 N ATOM 518 CA SER A 36 -12.995 -0.116 4.219 1.00 0.00 C ATOM 519 C SER A 36 -12.150 -0.138 5.488 1.00 0.00 C ATOM 520 O SER A 36 -10.938 -0.351 5.438 1.00 0.00 O ATOM 521 CB SER A 36 -14.029 -1.244 4.261 1.00 0.00 C ATOM 522 OG SER A 36 -15.048 -1.038 3.298 1.00 0.00 O ATOM 0 H SER A 36 -11.254 -0.689 3.201 1.00 0.00 H new ATOM 0 HA SER A 36 -13.513 0.842 4.166 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.537 -2.199 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.471 -1.300 5.256 1.00 0.00 H new ATOM 0 HG SER A 36 -14.779 -0.322 2.685 1.00 0.00 H new ATOM 528 N HIS A 37 -12.798 0.086 6.627 1.00 0.00 N ATOM 529 CA HIS A 37 -12.107 0.092 7.912 1.00 0.00 C ATOM 530 C HIS A 37 -12.911 -0.666 8.964 1.00 0.00 C ATOM 531 O HIS A 37 -14.036 -0.288 9.292 1.00 0.00 O ATOM 532 CB HIS A 37 -11.863 1.528 8.376 1.00 0.00 C ATOM 533 CG HIS A 37 -11.769 1.668 9.865 1.00 0.00 C ATOM 534 ND1 HIS A 37 -10.773 1.079 10.615 1.00 0.00 N ATOM 535 CD2 HIS A 37 -12.553 2.337 10.742 1.00 0.00 C ATOM 536 CE1 HIS A 37 -10.949 1.377 11.889 1.00 0.00 C ATOM 537 NE2 HIS A 37 -12.022 2.140 11.994 1.00 0.00 N ATOM 0 H HIS A 37 -13.800 0.266 6.686 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.147 -0.408 7.784 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.941 1.895 7.926 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.671 2.162 8.010 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -10.018 0.503 10.243 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.432 2.917 10.503 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.322 1.052 12.706 1.00 0.00 H new ATOM 546 N ASP A 38 -12.326 -1.737 9.490 1.00 0.00 N ATOM 547 CA ASP A 38 -12.987 -2.548 10.505 1.00 0.00 C ATOM 548 C ASP A 38 -12.560 -2.120 11.906 1.00 0.00 C ATOM 549 O ASP A 38 -11.395 -2.259 12.279 1.00 0.00 O ATOM 550 CB ASP A 38 -12.670 -4.029 10.292 1.00 0.00 C ATOM 551 CG ASP A 38 -13.459 -4.930 11.222 1.00 0.00 C ATOM 552 OD1 ASP A 38 -14.700 -4.978 11.090 1.00 0.00 O ATOM 553 OD2 ASP A 38 -12.836 -5.587 12.082 1.00 0.00 O ATOM 0 H ASP A 38 -11.395 -2.063 9.230 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.062 -2.398 10.411 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -12.887 -4.299 9.259 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.604 -4.195 10.448 1.00 0.00 H new ATOM 558 N SER A 39 -13.509 -1.599 12.676 1.00 0.00 N ATOM 559 CA SER A 39 -13.230 -1.146 14.033 1.00 0.00 C ATOM 560 C SER A 39 -13.168 -2.327 14.998 1.00 0.00 C ATOM 561 O SER A 39 -12.393 -2.322 15.955 1.00 0.00 O ATOM 562 CB SER A 39 -14.300 -0.154 14.493 1.00 0.00 C ATOM 563 OG SER A 39 -15.594 -0.725 14.412 1.00 0.00 O ATOM 0 H SER A 39 -14.479 -1.480 12.383 1.00 0.00 H new ATOM 0 HA SER A 39 -12.260 -0.649 14.031 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.098 0.153 15.519 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.256 0.744 13.877 1.00 0.00 H new ATOM 0 HG SER A 39 -16.259 -0.072 14.713 1.00 0.00 H new ATOM 569 N THR A 40 -13.989 -3.339 14.739 1.00 0.00 N ATOM 570 CA THR A 40 -14.030 -4.526 15.583 1.00 0.00 C ATOM 571 C THR A 40 -12.641 -5.134 15.743 1.00 0.00 C ATOM 572 O THR A 40 -12.232 -5.487 16.849 1.00 0.00 O ATOM 573 CB THR A 40 -14.981 -5.593 15.008 1.00 0.00 C ATOM 574 OG1 THR A 40 -16.280 -5.028 14.797 1.00 0.00 O ATOM 575 CG2 THR A 40 -15.087 -6.786 15.945 1.00 0.00 C ATOM 0 H THR A 40 -14.635 -3.360 13.950 1.00 0.00 H new ATOM 0 HA THR A 40 -14.400 -4.208 16.558 1.00 0.00 H new ATOM 0 HB THR A 40 -14.575 -5.935 14.056 1.00 0.00 H new ATOM 0 HG1 THR A 40 -16.878 -5.712 14.430 1.00 0.00 H new ATOM 0 HG21 THR A 40 -15.764 -7.526 15.517 1.00 0.00 H new ATOM 0 HG22 THR A 40 -14.101 -7.231 16.080 1.00 0.00 H new ATOM 0 HG23 THR A 40 -15.472 -6.457 16.910 1.00 0.00 H new ATOM 583 N SER A 41 -11.920 -5.253 14.633 1.00 0.00 N ATOM 584 CA SER A 41 -10.577 -5.821 14.651 1.00 0.00 C ATOM 585 C SER A 41 -9.540 -4.778 14.246 1.00 0.00 C ATOM 586 O SER A 41 -8.368 -5.097 14.049 1.00 0.00 O ATOM 587 CB SER A 41 -10.498 -7.027 13.712 1.00 0.00 C ATOM 588 OG SER A 41 -10.636 -6.628 12.359 1.00 0.00 O ATOM 0 H SER A 41 -12.243 -4.964 13.710 1.00 0.00 H new ATOM 0 HA SER A 41 -10.361 -6.147 15.668 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.544 -7.537 13.849 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.281 -7.742 13.966 1.00 0.00 H new ATOM 0 HG SER A 41 -11.231 -5.851 12.306 1.00 0.00 H new ATOM 594 N GLN A 42 -9.982 -3.530 14.124 1.00 0.00 N ATOM 595 CA GLN A 42 -9.093 -2.440 13.742 1.00 0.00 C ATOM 596 C GLN A 42 -8.282 -2.807 12.504 1.00 0.00 C ATOM 597 O GLN A 42 -7.111 -2.442 12.385 1.00 0.00 O ATOM 598 CB GLN A 42 -8.152 -2.092 14.898 1.00 0.00 C ATOM 599 CG GLN A 42 -8.790 -1.206 15.956 1.00 0.00 C ATOM 600 CD GLN A 42 -8.812 0.256 15.557 1.00 0.00 C ATOM 601 OE1 GLN A 42 -7.770 0.854 15.287 1.00 0.00 O ATOM 602 NE2 GLN A 42 -10.003 0.841 15.516 1.00 0.00 N ATOM 0 H GLN A 42 -10.949 -3.249 14.284 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.706 -1.570 13.507 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.809 -3.014 15.367 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.270 -1.590 14.499 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.810 -1.544 16.140 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.244 -1.315 16.893 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.841 0.308 15.748 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.080 1.823 15.253 1.00 0.00 H new ATOM 611 N LEU A 43 -8.910 -3.531 11.585 1.00 0.00 N ATOM 612 CA LEU A 43 -8.247 -3.948 10.354 1.00 0.00 C ATOM 613 C LEU A 43 -8.739 -3.129 9.165 1.00 0.00 C ATOM 614 O LEU A 43 -9.942 -3.021 8.928 1.00 0.00 O ATOM 615 CB LEU A 43 -8.492 -5.436 10.099 1.00 0.00 C ATOM 616 CG LEU A 43 -7.689 -6.407 10.965 1.00 0.00 C ATOM 617 CD1 LEU A 43 -8.146 -7.838 10.728 1.00 0.00 C ATOM 618 CD2 LEU A 43 -6.200 -6.267 10.683 1.00 0.00 C ATOM 0 H LEU A 43 -9.878 -3.842 11.668 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.177 -3.777 10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.552 -5.640 10.248 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.271 -5.646 9.053 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.865 -6.160 12.012 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.563 -8.514 11.353 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.202 -7.929 10.981 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.001 -8.097 9.679 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.644 -6.966 11.308 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.006 -6.486 9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.882 -5.249 10.906 1.00 0.00 H new ATOM 630 N TYR A 44 -7.801 -2.554 8.421 1.00 0.00 N ATOM 631 CA TYR A 44 -8.139 -1.745 7.256 1.00 0.00 C ATOM 632 C TYR A 44 -8.053 -2.569 5.976 1.00 0.00 C ATOM 633 O TYR A 44 -6.990 -3.080 5.621 1.00 0.00 O ATOM 634 CB TYR A 44 -7.206 -0.536 7.162 1.00 0.00 C ATOM 635 CG TYR A 44 -7.514 0.547 8.171 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.264 0.353 9.524 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.055 1.763 7.772 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.544 1.339 10.451 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.336 2.755 8.691 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.079 2.538 10.029 1.00 0.00 C ATOM 641 OH TYR A 44 -8.360 3.524 10.948 1.00 0.00 O ATOM 0 H TYR A 44 -6.801 -2.633 8.604 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.165 -1.396 7.372 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.178 -0.870 7.302 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.271 -0.115 6.159 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.844 -0.584 9.857 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.259 1.935 6.726 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.345 1.172 11.499 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.755 3.695 8.364 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.814 3.389 11.750 1.00 0.00 H new ATOM 651 N THR A 45 -9.181 -2.695 5.283 1.00 0.00 N ATOM 652 CA THR A 45 -9.235 -3.457 4.042 1.00 0.00 C ATOM 653 C THR A 45 -8.725 -2.631 2.867 1.00 0.00 C ATOM 654 O THR A 45 -9.437 -1.776 2.340 1.00 0.00 O ATOM 655 CB THR A 45 -10.668 -3.932 3.737 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.160 -4.731 4.819 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.708 -4.737 2.447 1.00 0.00 C ATOM 0 H THR A 45 -10.070 -2.279 5.561 1.00 0.00 H new ATOM 0 HA THR A 45 -8.592 -4.327 4.177 1.00 0.00 H new ATOM 0 HB THR A 45 -11.301 -3.053 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.072 -5.028 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.730 -5.062 2.252 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.360 -4.117 1.620 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.062 -5.610 2.543 1.00 0.00 H new ATOM 665 N VAL A 46 -7.487 -2.893 2.460 1.00 0.00 N ATOM 666 CA VAL A 46 -6.882 -2.174 1.344 1.00 0.00 C ATOM 667 C VAL A 46 -6.809 -3.052 0.100 1.00 0.00 C ATOM 668 O VAL A 46 -6.840 -4.279 0.189 1.00 0.00 O ATOM 669 CB VAL A 46 -5.465 -1.683 1.696 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.511 -0.713 2.867 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.554 -2.862 2.005 1.00 0.00 C ATOM 0 H VAL A 46 -6.884 -3.597 2.886 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.517 -1.312 1.140 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.058 -1.155 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.501 -0.377 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.127 0.147 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.938 -1.213 3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.557 -2.497 2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.955 -3.420 2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.496 -3.515 1.134 1.00 0.00 H new ATOM 681 N LYS A 47 -6.712 -2.414 -1.062 1.00 0.00 N ATOM 682 CA LYS A 47 -6.633 -3.136 -2.326 1.00 0.00 C ATOM 683 C LYS A 47 -5.396 -2.717 -3.115 1.00 0.00 C ATOM 684 O LYS A 47 -5.119 -1.527 -3.268 1.00 0.00 O ATOM 685 CB LYS A 47 -7.891 -2.885 -3.160 1.00 0.00 C ATOM 686 CG LYS A 47 -7.856 -3.542 -4.529 1.00 0.00 C ATOM 687 CD LYS A 47 -9.162 -3.340 -5.279 1.00 0.00 C ATOM 688 CE LYS A 47 -9.367 -4.410 -6.339 1.00 0.00 C ATOM 689 NZ LYS A 47 -10.570 -4.141 -7.174 1.00 0.00 N ATOM 0 H LYS A 47 -6.686 -1.398 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.558 -4.200 -2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.759 -3.252 -2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.025 -1.811 -3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.033 -3.127 -5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.661 -4.609 -4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.994 -3.360 -4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.165 -2.356 -5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.486 -4.461 -6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.469 -5.383 -5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.675 -4.893 -7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.415 -4.117 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.462 -3.224 -7.654 1.00 0.00 H new ATOM 703 N TYR A 48 -4.658 -3.702 -3.616 1.00 0.00 N ATOM 704 CA TYR A 48 -3.451 -3.435 -4.388 1.00 0.00 C ATOM 705 C TYR A 48 -3.758 -3.392 -5.882 1.00 0.00 C ATOM 706 O TYR A 48 -4.764 -3.936 -6.337 1.00 0.00 O ATOM 707 CB TYR A 48 -2.392 -4.502 -4.104 1.00 0.00 C ATOM 708 CG TYR A 48 -1.869 -4.474 -2.686 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.593 -5.044 -1.646 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.651 -3.876 -2.386 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.119 -5.020 -0.349 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.169 -3.849 -1.091 1.00 0.00 C ATOM 713 CZ TYR A 48 -0.907 -4.422 -0.076 1.00 0.00 C ATOM 714 OH TYR A 48 -0.430 -4.395 1.214 1.00 0.00 O ATOM 0 H TYR A 48 -4.875 -4.692 -3.501 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.066 -2.461 -4.087 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.816 -5.486 -4.307 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.558 -4.366 -4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.543 -5.514 -1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.071 -3.425 -3.178 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.695 -5.467 0.448 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.780 -3.382 -0.875 1.00 0.00 H new ATOM 0 HH TYR A 48 0.437 -3.938 1.233 1.00 0.00 H new ATOM 724 N LYS A 49 -2.883 -2.741 -6.641 1.00 0.00 N ATOM 725 CA LYS A 49 -3.056 -2.627 -8.084 1.00 0.00 C ATOM 726 C LYS A 49 -3.489 -3.959 -8.687 1.00 0.00 C ATOM 727 O LYS A 49 -4.585 -4.076 -9.237 1.00 0.00 O ATOM 728 CB LYS A 49 -1.756 -2.157 -8.739 1.00 0.00 C ATOM 729 CG LYS A 49 -1.967 -1.415 -10.048 1.00 0.00 C ATOM 730 CD LYS A 49 -0.798 -0.499 -10.365 1.00 0.00 C ATOM 731 CE LYS A 49 -1.002 0.889 -9.776 1.00 0.00 C ATOM 732 NZ LYS A 49 0.061 1.838 -10.211 1.00 0.00 N ATOM 0 H LYS A 49 -2.046 -2.284 -6.280 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.838 -1.891 -8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.224 -1.507 -8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.117 -3.021 -8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.097 -2.133 -10.857 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.884 -0.829 -9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.122 -0.931 -9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.677 -0.423 -11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.977 1.272 -10.078 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.008 0.825 -8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.114 2.772 -9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.989 1.486 -9.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.051 1.919 -11.248 1.00 0.00 H new ATOM 746 N ASP A 50 -2.624 -4.961 -8.579 1.00 0.00 N ATOM 747 CA ASP A 50 -2.919 -6.287 -9.111 1.00 0.00 C ATOM 748 C ASP A 50 -4.374 -6.664 -8.854 1.00 0.00 C ATOM 749 O ASP A 50 -4.995 -7.363 -9.653 1.00 0.00 O ATOM 750 CB ASP A 50 -1.990 -7.329 -8.486 1.00 0.00 C ATOM 751 CG ASP A 50 -0.622 -7.351 -9.139 1.00 0.00 C ATOM 752 OD1 ASP A 50 -0.070 -6.261 -9.398 1.00 0.00 O ATOM 753 OD2 ASP A 50 -0.103 -8.458 -9.390 1.00 0.00 O ATOM 0 H ASP A 50 -1.713 -4.881 -8.128 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.754 -6.265 -10.188 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.878 -7.120 -7.422 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.446 -8.315 -8.571 1.00 0.00 H new ATOM 758 N GLY A 51 -4.912 -6.198 -7.731 1.00 0.00 N ATOM 759 CA GLY A 51 -6.289 -6.498 -7.387 1.00 0.00 C ATOM 760 C GLY A 51 -6.400 -7.448 -6.211 1.00 0.00 C ATOM 761 O GLY A 51 -7.238 -8.350 -6.207 1.00 0.00 O ATOM 0 H GLY A 51 -4.418 -5.618 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.811 -5.571 -7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.789 -6.935 -8.251 1.00 0.00 H new ATOM 765 N THR A 52 -5.550 -7.247 -5.208 1.00 0.00 N ATOM 766 CA THR A 52 -5.554 -8.093 -4.022 1.00 0.00 C ATOM 767 C THR A 52 -6.028 -7.321 -2.796 1.00 0.00 C ATOM 768 O THR A 52 -5.579 -6.203 -2.544 1.00 0.00 O ATOM 769 CB THR A 52 -4.154 -8.671 -3.740 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.658 -9.343 -4.903 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.194 -9.639 -2.567 1.00 0.00 C ATOM 0 H THR A 52 -4.850 -6.505 -5.194 1.00 0.00 H new ATOM 0 HA THR A 52 -6.245 -8.912 -4.221 1.00 0.00 H new ATOM 0 HB THR A 52 -3.489 -7.846 -3.487 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.767 -9.706 -4.716 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.194 -10.034 -2.387 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.544 -9.117 -1.676 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.873 -10.460 -2.796 1.00 0.00 H new ATOM 779 N GLU A 53 -6.938 -7.924 -2.038 1.00 0.00 N ATOM 780 CA GLU A 53 -7.473 -7.291 -0.838 1.00 0.00 C ATOM 781 C GLU A 53 -6.913 -7.948 0.420 1.00 0.00 C ATOM 782 O GLU A 53 -6.968 -9.169 0.573 1.00 0.00 O ATOM 783 CB GLU A 53 -9.001 -7.369 -0.831 1.00 0.00 C ATOM 784 CG GLU A 53 -9.657 -6.565 -1.941 1.00 0.00 C ATOM 785 CD GLU A 53 -11.159 -6.767 -1.998 1.00 0.00 C ATOM 786 OE1 GLU A 53 -11.849 -6.370 -1.037 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.644 -7.323 -3.006 1.00 0.00 O ATOM 0 H GLU A 53 -7.320 -8.849 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.170 -6.244 -0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.303 -8.412 -0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.370 -7.013 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.442 -5.507 -1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.219 -6.849 -2.898 1.00 0.00 H new ATOM 794 N LEU A 54 -6.374 -7.130 1.317 1.00 0.00 N ATOM 795 CA LEU A 54 -5.802 -7.631 2.563 1.00 0.00 C ATOM 796 C LEU A 54 -6.260 -6.789 3.749 1.00 0.00 C ATOM 797 O LEU A 54 -6.865 -5.732 3.575 1.00 0.00 O ATOM 798 CB LEU A 54 -4.275 -7.631 2.482 1.00 0.00 C ATOM 799 CG LEU A 54 -3.666 -8.344 1.274 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.209 -7.946 1.097 1.00 0.00 C ATOM 801 CD2 LEU A 54 -3.795 -9.853 1.423 1.00 0.00 C ATOM 0 H LEU A 54 -6.321 -6.118 1.206 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.152 -8.653 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.931 -6.597 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.883 -8.094 3.387 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.215 -8.039 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.793 -8.463 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.142 -6.869 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.646 -8.220 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.356 -10.343 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.273 -10.176 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.848 -10.122 1.498 1.00 0.00 H new ATOM 813 N GLU A 55 -5.965 -7.265 4.955 1.00 0.00 N ATOM 814 CA GLU A 55 -6.346 -6.554 6.170 1.00 0.00 C ATOM 815 C GLU A 55 -5.112 -6.097 6.942 1.00 0.00 C ATOM 816 O GLU A 55 -4.443 -6.898 7.596 1.00 0.00 O ATOM 817 CB GLU A 55 -7.216 -7.446 7.058 1.00 0.00 C ATOM 818 CG GLU A 55 -8.699 -7.357 6.743 1.00 0.00 C ATOM 819 CD GLU A 55 -9.533 -8.302 7.587 1.00 0.00 C ATOM 820 OE1 GLU A 55 -9.241 -9.516 7.583 1.00 0.00 O ATOM 821 OE2 GLU A 55 -10.476 -7.826 8.253 1.00 0.00 O ATOM 0 H GLU A 55 -5.464 -8.139 5.116 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.919 -5.673 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.891 -8.481 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.058 -7.171 8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.040 -6.334 6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.857 -7.583 5.688 1.00 0.00 H new ATOM 828 N LEU A 56 -4.816 -4.805 6.862 1.00 0.00 N ATOM 829 CA LEU A 56 -3.662 -4.239 7.552 1.00 0.00 C ATOM 830 C LEU A 56 -4.102 -3.352 8.712 1.00 0.00 C ATOM 831 O LEU A 56 -5.053 -2.579 8.591 1.00 0.00 O ATOM 832 CB LEU A 56 -2.803 -3.433 6.576 1.00 0.00 C ATOM 833 CG LEU A 56 -2.478 -4.115 5.247 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.814 -3.134 4.293 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.587 -5.328 5.474 1.00 0.00 C ATOM 0 H LEU A 56 -5.359 -4.129 6.326 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.070 -5.062 7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.314 -2.494 6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.865 -3.181 7.071 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.411 -4.454 4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.590 -3.637 3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.486 -2.297 4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.889 -2.765 4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.366 -5.801 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.657 -5.013 5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.100 -6.040 6.121 1.00 0.00 H new ATOM 847 N LYS A 57 -3.404 -3.468 9.837 1.00 0.00 N ATOM 848 CA LYS A 57 -3.719 -2.675 11.019 1.00 0.00 C ATOM 849 C LYS A 57 -3.455 -1.194 10.767 1.00 0.00 C ATOM 850 O LYS A 57 -2.692 -0.834 9.872 1.00 0.00 O ATOM 851 CB LYS A 57 -2.894 -3.154 12.215 1.00 0.00 C ATOM 852 CG LYS A 57 -3.176 -4.594 12.611 1.00 0.00 C ATOM 853 CD LYS A 57 -2.889 -4.833 14.084 1.00 0.00 C ATOM 854 CE LYS A 57 -3.775 -5.931 14.653 1.00 0.00 C ATOM 855 NZ LYS A 57 -3.232 -7.287 14.364 1.00 0.00 N ATOM 0 H LYS A 57 -2.616 -4.104 9.955 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.778 -2.805 11.241 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.835 -3.052 11.979 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.095 -2.505 13.068 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.218 -4.833 12.399 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.565 -5.265 12.007 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.842 -5.106 14.212 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.048 -3.910 14.641 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.869 -5.800 15.731 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.777 -5.844 14.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.864 -8.007 14.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.166 -7.422 13.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.286 -7.380 14.787 1.00 0.00 H new ATOM 869 N GLU A 58 -4.091 -0.340 11.563 1.00 0.00 N ATOM 870 CA GLU A 58 -3.924 1.102 11.425 1.00 0.00 C ATOM 871 C GLU A 58 -2.445 1.477 11.393 1.00 0.00 C ATOM 872 O GLU A 58 -2.047 2.418 10.709 1.00 0.00 O ATOM 873 CB GLU A 58 -4.622 1.831 12.575 1.00 0.00 C ATOM 874 CG GLU A 58 -5.093 3.229 12.212 1.00 0.00 C ATOM 875 CD GLU A 58 -5.929 3.866 13.306 1.00 0.00 C ATOM 876 OE1 GLU A 58 -5.495 3.838 14.476 1.00 0.00 O ATOM 877 OE2 GLU A 58 -7.017 4.391 12.990 1.00 0.00 O ATOM 0 H GLU A 58 -4.726 -0.622 12.310 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.379 1.407 10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.479 1.241 12.901 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.938 1.895 13.422 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.227 3.859 12.009 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.677 3.184 11.293 1.00 0.00 H new ATOM 884 N ASN A 59 -1.636 0.733 12.140 1.00 0.00 N ATOM 885 CA ASN A 59 -0.201 0.987 12.200 1.00 0.00 C ATOM 886 C ASN A 59 0.486 0.528 10.917 1.00 0.00 C ATOM 887 O ASN A 59 1.316 1.243 10.355 1.00 0.00 O ATOM 888 CB ASN A 59 0.415 0.275 13.405 1.00 0.00 C ATOM 889 CG ASN A 59 -0.073 0.842 14.724 1.00 0.00 C ATOM 890 OD1 ASN A 59 -0.297 2.046 14.849 1.00 0.00 O ATOM 891 ND2 ASN A 59 -0.239 -0.025 15.716 1.00 0.00 N ATOM 0 H ASN A 59 -1.950 -0.051 12.712 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.052 2.061 12.307 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.174 -0.787 13.358 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.501 0.358 13.357 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.565 0.298 16.627 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.041 -1.014 15.567 1.00 0.00 H new ATOM 898 N ASP A 60 0.135 -0.669 10.460 1.00 0.00 N ATOM 899 CA ASP A 60 0.716 -1.224 9.243 1.00 0.00 C ATOM 900 C ASP A 60 0.574 -0.248 8.079 1.00 0.00 C ATOM 901 O ASP A 60 1.368 -0.269 7.139 1.00 0.00 O ATOM 902 CB ASP A 60 0.048 -2.554 8.894 1.00 0.00 C ATOM 903 CG ASP A 60 0.530 -3.692 9.772 1.00 0.00 C ATOM 904 OD1 ASP A 60 1.600 -4.263 9.471 1.00 0.00 O ATOM 905 OD2 ASP A 60 -0.161 -4.012 10.762 1.00 0.00 O ATOM 0 H ASP A 60 -0.549 -1.274 10.914 1.00 0.00 H new ATOM 0 HA ASP A 60 1.777 -1.396 9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.032 -2.452 8.996 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.248 -2.795 7.850 1.00 0.00 H new ATOM 910 N ILE A 61 -0.443 0.605 8.150 1.00 0.00 N ATOM 911 CA ILE A 61 -0.689 1.587 7.102 1.00 0.00 C ATOM 912 C ILE A 61 -0.100 2.944 7.472 1.00 0.00 C ATOM 913 O ILE A 61 -0.186 3.379 8.621 1.00 0.00 O ATOM 914 CB ILE A 61 -2.196 1.752 6.827 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.834 0.393 6.531 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.421 2.713 5.669 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.345 0.433 6.483 1.00 0.00 C ATOM 0 H ILE A 61 -1.109 0.635 8.922 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.202 1.215 6.200 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.669 2.169 7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.458 0.024 5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.521 -0.320 7.294 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.490 2.819 5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.997 3.686 5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.937 2.323 4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.729 -0.564 6.269 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.731 0.771 7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.666 1.121 5.701 1.00 0.00 H new ATOM 929 N LYS A 62 0.497 3.612 6.490 1.00 0.00 N ATOM 930 CA LYS A 62 1.098 4.922 6.710 1.00 0.00 C ATOM 931 C LYS A 62 1.082 5.749 5.428 1.00 0.00 C ATOM 932 O LYS A 62 1.234 5.214 4.330 1.00 0.00 O ATOM 933 CB LYS A 62 2.535 4.768 7.212 1.00 0.00 C ATOM 934 CG LYS A 62 3.497 4.250 6.157 1.00 0.00 C ATOM 935 CD LYS A 62 4.140 5.387 5.382 1.00 0.00 C ATOM 936 CE LYS A 62 5.043 4.866 4.274 1.00 0.00 C ATOM 937 NZ LYS A 62 5.946 5.928 3.750 1.00 0.00 N ATOM 0 H LYS A 62 0.577 3.267 5.533 1.00 0.00 H new ATOM 0 HA LYS A 62 0.510 5.443 7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.890 5.733 7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.542 4.087 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.272 3.649 6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.964 3.595 5.468 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.364 6.021 4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.720 6.010 6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.640 4.036 4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.432 4.475 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.545 5.534 2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.377 6.709 3.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.547 6.284 4.520 1.00 0.00 H new ATOM 951 N SER A 63 0.899 7.057 5.577 1.00 0.00 N ATOM 952 CA SER A 63 0.861 7.959 4.431 1.00 0.00 C ATOM 953 C SER A 63 2.235 8.568 4.174 1.00 0.00 C ATOM 954 O SER A 63 3.192 8.299 4.899 1.00 0.00 O ATOM 955 CB SER A 63 -0.167 9.068 4.662 1.00 0.00 C ATOM 956 OG SER A 63 0.323 10.035 5.575 1.00 0.00 O ATOM 0 H SER A 63 0.775 7.516 6.479 1.00 0.00 H new ATOM 0 HA SER A 63 0.570 7.381 3.554 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.408 9.548 3.714 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.092 8.637 5.045 1.00 0.00 H new ATOM 0 HG SER A 63 -0.352 10.734 5.705 1.00 0.00 H new