USER MOD reduce.3.24.130724 H: found=0, std=0, add=179, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 179 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 48 ASN : amide:sc=-0.00509 X(o=-0.0051,f=-0.0071) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00714) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.046) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= 0.597 (180deg=0.455) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N GLU A 46 27.694 25.592 25.587 1.00 20.00 N ATOM 117 CA GLU A 46 27.082 24.931 26.743 1.00 20.00 C ATOM 118 C GLU A 46 25.749 24.283 26.362 1.00 20.00 C ATOM 119 O GLU A 46 24.891 24.911 25.737 1.00 20.00 O ATOM 120 CB GLU A 46 26.871 25.926 27.894 1.00 20.00 C ATOM 121 CG GLU A 46 28.180 26.212 28.651 1.00 20.00 C ATOM 122 CD GLU A 46 28.008 27.229 29.783 1.00 20.00 C ATOM 123 OE1 GLU A 46 26.973 27.161 30.484 1.00 20.00 O ATOM 124 OE2 GLU A 46 28.924 28.062 29.957 1.00 20.00 O ATOM 0 HA GLU A 46 27.765 24.150 27.077 1.00 20.00 H new ATOM 0 HB2 GLU A 46 26.469 26.859 27.499 1.00 20.00 H new ATOM 0 HB3 GLU A 46 26.130 25.528 28.587 1.00 20.00 H new ATOM 0 HG2 GLU A 46 28.566 25.280 29.063 1.00 20.00 H new ATOM 0 HG3 GLU A 46 28.926 26.582 27.948 1.00 20.00 H new ATOM 131 N CYS A 47 25.586 23.025 26.790 1.00 20.00 N ATOM 132 CA CYS A 47 24.383 22.222 26.614 1.00 20.00 C ATOM 133 C CYS A 47 23.331 22.577 27.668 1.00 20.00 C ATOM 134 O CYS A 47 23.623 22.616 28.864 1.00 20.00 O ATOM 135 CB CYS A 47 24.742 20.734 26.692 1.00 20.00 C ATOM 136 SG CYS A 47 25.765 20.174 25.307 1.00 20.00 S ATOM 0 H CYS A 47 26.322 22.524 27.288 1.00 20.00 H new ATOM 0 HA CYS A 47 23.958 22.436 25.633 1.00 20.00 H new ATOM 0 HB2 CYS A 47 25.270 20.543 27.626 1.00 20.00 H new ATOM 0 HB3 CYS A 47 23.824 20.146 26.719 1.00 20.00 H new ATOM 141 N ASN A 48 22.102 22.812 27.195 1.00 20.00 N ATOM 142 CA ASN A 48 20.932 23.229 27.962 1.00 20.00 C ATOM 143 C ASN A 48 19.701 22.393 27.565 1.00 20.00 C ATOM 144 O ASN A 48 19.681 21.824 26.470 1.00 20.00 O ATOM 145 CB ASN A 48 20.683 24.724 27.684 1.00 20.00 C ATOM 146 CG ASN A 48 21.567 25.635 28.538 1.00 20.00 C ATOM 147 OD1 ASN A 48 21.116 26.138 29.564 1.00 20.00 O ATOM 148 ND2 ASN A 48 22.820 25.854 28.137 1.00 20.00 N ATOM 0 H ASN A 48 21.889 22.708 26.203 1.00 20.00 H new ATOM 0 HA ASN A 48 21.108 23.072 29.026 1.00 20.00 H new ATOM 0 HB2 ASN A 48 20.867 24.930 26.629 1.00 20.00 H new ATOM 0 HB3 ASN A 48 19.635 24.956 27.876 1.00 20.00 H new ATOM 0 HD21 ASN A 48 23.434 26.454 28.687 1.00 20.00 H new ATOM 0 HD22 ASN A 48 23.164 25.421 27.280 1.00 20.00 H new ATOM 155 N PRO A 49 18.646 22.352 28.409 1.00 20.00 N ATOM 156 CA PRO A 49 17.380 21.715 28.061 1.00 20.00 C ATOM 157 C PRO A 49 16.682 22.465 26.923 1.00 20.00 C ATOM 158 O PRO A 49 16.925 23.649 26.697 1.00 20.00 O ATOM 159 CB PRO A 49 16.541 21.705 29.345 1.00 20.00 C ATOM 160 CG PRO A 49 17.117 22.841 30.188 1.00 20.00 C ATOM 161 CD PRO A 49 18.579 22.931 29.747 1.00 20.00 C ATOM 0 HA PRO A 49 17.529 20.700 27.694 1.00 20.00 H new ATOM 0 HB2 PRO A 49 15.485 21.867 29.130 1.00 20.00 H new ATOM 0 HB3 PRO A 49 16.618 20.749 29.862 1.00 20.00 H new ATOM 0 HG2 PRO A 49 16.589 23.777 30.009 1.00 20.00 H new ATOM 0 HG3 PRO A 49 17.035 22.627 31.254 1.00 20.00 H new ATOM 0 HD2 PRO A 49 18.918 23.967 29.739 1.00 20.00 H new ATOM 0 HD3 PRO A 49 19.226 22.389 30.437 1.00 20.00 H new ATOM 169 N LEU A 50 15.796 21.755 26.219 1.00 20.00 N ATOM 170 CA LEU A 50 15.019 22.260 25.091 1.00 20.00 C ATOM 171 C LEU A 50 14.025 23.335 25.547 1.00 20.00 C ATOM 172 O LEU A 50 13.844 24.340 24.858 1.00 20.00 O ATOM 173 CB LEU A 50 14.271 21.080 24.450 1.00 20.00 C ATOM 174 CG LEU A 50 15.204 19.992 23.881 1.00 20.00 C ATOM 175 CD1 LEU A 50 14.402 18.707 23.664 1.00 20.00 C ATOM 176 CD2 LEU A 50 15.861 20.446 22.571 1.00 20.00 C ATOM 0 H LEU A 50 15.595 20.777 26.429 1.00 20.00 H new ATOM 0 HA LEU A 50 15.689 22.719 24.364 1.00 20.00 H new ATOM 0 HB2 LEU A 50 13.614 20.630 25.194 1.00 20.00 H new ATOM 0 HB3 LEU A 50 13.635 21.456 23.649 1.00 20.00 H new ATOM 0 HG LEU A 50 16.005 19.807 24.597 1.00 20.00 H new ATOM 0 HD11 LEU A 50 15.056 17.933 23.262 1.00 20.00 H new ATOM 0 HD12 LEU A 50 13.986 18.373 24.615 1.00 20.00 H new ATOM 0 HD13 LEU A 50 13.591 18.898 22.961 1.00 20.00 H new ATOM 0 HD21 LEU A 50 16.512 19.656 22.197 1.00 20.00 H new ATOM 0 HD22 LEU A 50 15.089 20.660 21.832 1.00 20.00 H new ATOM 0 HD23 LEU A 50 16.449 21.346 22.752 1.00 20.00 H new ATOM 188 N ASP A 51 13.421 23.131 26.726 1.00 20.00 N ATOM 189 CA ASP A 51 12.553 24.091 27.402 1.00 20.00 C ATOM 190 C ASP A 51 13.386 25.087 28.230 1.00 20.00 C ATOM 191 O ASP A 51 13.262 25.152 29.454 1.00 20.00 O ATOM 192 CB ASP A 51 11.506 23.347 28.246 1.00 20.00 C ATOM 193 CG ASP A 51 10.608 22.444 27.399 1.00 20.00 C ATOM 194 OD1 ASP A 51 9.852 23.017 26.561 1.00 20.00 O ATOM 195 OD2 ASP A 51 10.679 21.223 27.576 1.00 20.00 O ATOM 0 H ASP A 51 13.530 22.262 27.249 1.00 20.00 H new ATOM 0 HA ASP A 51 12.013 24.679 26.660 1.00 20.00 H new ATOM 0 HB2 ASP A 51 12.013 22.746 29.001 1.00 20.00 H new ATOM 0 HB3 ASP A 51 10.890 24.072 28.777 1.00 20.00 H new ATOM 200 N ARG A 52 14.224 25.881 27.545 1.00 20.00 N ATOM 201 CA ARG A 52 15.042 26.947 28.119 1.00 20.00 C ATOM 202 C ARG A 52 14.913 28.228 27.297 1.00 20.00 C ATOM 203 O ARG A 52 14.693 28.167 26.086 1.00 20.00 O ATOM 204 CB ARG A 52 16.506 26.475 28.151 1.00 20.00 C ATOM 205 CG ARG A 52 17.409 27.256 29.108 1.00 20.00 C ATOM 206 CD ARG A 52 16.944 27.061 30.554 1.00 20.00 C ATOM 207 NE ARG A 52 18.013 27.373 31.499 1.00 20.00 N ATOM 208 CZ ARG A 52 17.852 27.648 32.802 1.00 20.00 C ATOM 209 NH1 ARG A 52 16.646 27.685 33.373 1.00 20.00 N ATOM 210 NH2 ARG A 52 18.922 27.879 33.560 1.00 20.00 N ATOM 0 H ARG A 52 14.351 25.790 26.537 1.00 20.00 H new ATOM 0 HA ARG A 52 14.701 27.167 29.131 1.00 20.00 H new ATOM 0 HB2 ARG A 52 16.528 25.422 28.431 1.00 20.00 H new ATOM 0 HB3 ARG A 52 16.918 26.546 27.145 1.00 20.00 H new ATOM 0 HG2 ARG A 52 18.440 26.920 29.002 1.00 20.00 H new ATOM 0 HG3 ARG A 52 17.391 28.316 28.853 1.00 20.00 H new ATOM 0 HD2 ARG A 52 16.083 27.700 30.751 1.00 20.00 H new ATOM 0 HD3 ARG A 52 16.617 26.031 30.698 1.00 20.00 H new ATOM 0 HE ARG A 52 18.966 27.383 31.136 1.00 20.00 H new ATOM 0 HH11 ARG A 52 15.812 27.501 32.816 1.00 20.00 H new ATOM 0 HH12 ARG A 52 16.559 27.897 34.367 1.00 20.00 H new ATOM 0 HH21 ARG A 52 19.855 27.846 33.149 1.00 20.00 H new ATOM 0 HH22 ARG A 52 18.809 28.089 34.552 1.00 20.00 H new ATOM 224 N GLN A 53 15.102 29.379 27.956 1.00 20.00 N ATOM 225 CA GLN A 53 15.169 30.686 27.314 1.00 20.00 C ATOM 226 C GLN A 53 16.606 30.985 26.873 1.00 20.00 C ATOM 227 O GLN A 53 17.302 31.803 27.477 1.00 20.00 O ATOM 228 CB GLN A 53 14.618 31.775 28.254 1.00 20.00 C ATOM 229 CG GLN A 53 13.111 31.658 28.507 1.00 20.00 C ATOM 230 CD GLN A 53 12.575 32.839 29.326 1.00 20.00 C ATOM 231 OE1 GLN A 53 11.707 33.576 28.867 1.00 20.00 O ATOM 232 NE2 GLN A 53 13.081 33.034 30.546 1.00 20.00 N ATOM 0 H GLN A 53 15.214 29.422 28.969 1.00 20.00 H new ATOM 0 HA GLN A 53 14.544 30.680 26.421 1.00 20.00 H new ATOM 0 HB2 GLN A 53 15.144 31.721 29.207 1.00 20.00 H new ATOM 0 HB3 GLN A 53 14.832 32.755 27.827 1.00 20.00 H new ATOM 0 HG2 GLN A 53 12.586 31.609 27.553 1.00 20.00 H new ATOM 0 HG3 GLN A 53 12.903 30.727 29.034 1.00 20.00 H new ATOM 0 HE21 GLN A 53 13.802 32.408 30.905 1.00 20.00 H new ATOM 0 HE22 GLN A 53 12.747 33.809 31.119 1.00 20.00 H new ATOM 241 N CYS A 54 17.041 30.307 25.803 1.00 20.00 N ATOM 242 CA CYS A 54 18.270 30.595 25.072 1.00 20.00 C ATOM 243 C CYS A 54 18.204 30.028 23.644 1.00 20.00 C ATOM 244 O CYS A 54 17.251 29.331 23.287 1.00 20.00 O ATOM 245 CB CYS A 54 19.487 30.098 25.873 1.00 20.00 C ATOM 246 SG CYS A 54 19.502 28.364 26.415 1.00 20.00 S ATOM 0 H CYS A 54 16.526 29.517 25.414 1.00 20.00 H new ATOM 0 HA CYS A 54 18.385 31.673 24.959 1.00 20.00 H new ATOM 0 HB2 CYS A 54 20.377 30.266 25.266 1.00 20.00 H new ATOM 0 HB3 CYS A 54 19.582 30.726 26.759 1.00 20.00 H new ATOM 251 N LYS A 55 19.217 30.356 22.826 1.00 20.00 N ATOM 252 CA LYS A 55 19.332 30.029 21.397 1.00 20.00 C ATOM 253 C LYS A 55 19.270 28.511 21.137 1.00 20.00 C ATOM 254 O LYS A 55 19.327 27.714 22.070 1.00 20.00 O ATOM 255 CB LYS A 55 20.649 30.645 20.882 1.00 20.00 C ATOM 256 CG LYS A 55 20.694 31.007 19.385 1.00 20.00 C ATOM 257 CD LYS A 55 20.256 32.450 19.077 1.00 20.00 C ATOM 258 CE LYS A 55 18.761 32.726 19.261 1.00 20.00 C ATOM 259 NZ LYS A 55 17.945 32.042 18.240 1.00 20.00 N ATOM 0 H LYS A 55 20.021 30.885 23.163 1.00 20.00 H new ATOM 0 HA LYS A 55 18.484 30.448 20.856 1.00 20.00 H new ATOM 0 HB2 LYS A 55 20.853 31.547 21.458 1.00 20.00 H new ATOM 0 HB3 LYS A 55 21.458 29.945 21.089 1.00 20.00 H new ATOM 0 HG2 LYS A 55 21.709 30.860 19.016 1.00 20.00 H new ATOM 0 HG3 LYS A 55 20.052 30.318 18.836 1.00 20.00 H new ATOM 0 HD2 LYS A 55 20.817 33.129 19.719 1.00 20.00 H new ATOM 0 HD3 LYS A 55 20.530 32.685 18.048 1.00 20.00 H new ATOM 0 HE2 LYS A 55 18.451 32.398 20.253 1.00 20.00 H new ATOM 0 HE3 LYS A 55 18.581 33.800 19.210 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 16.944 32.295 18.369 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 18.257 32.335 17.292 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 18.057 31.013 18.338 1.00 20.00 H new ATOM 273 N GLU A 56 19.142 28.099 19.868 1.00 20.00 N ATOM 274 CA GLU A 56 19.058 26.691 19.478 1.00 20.00 C ATOM 275 C GLU A 56 19.584 26.482 18.056 1.00 20.00 C ATOM 276 O GLU A 56 19.466 27.359 17.199 1.00 20.00 O ATOM 277 CB GLU A 56 17.594 26.239 19.622 1.00 20.00 C ATOM 278 CG GLU A 56 17.366 24.738 19.404 1.00 20.00 C ATOM 279 CD GLU A 56 15.984 24.273 19.884 1.00 20.00 C ATOM 280 OE1 GLU A 56 15.570 24.696 20.986 1.00 20.00 O ATOM 281 OE2 GLU A 56 15.360 23.483 19.140 1.00 20.00 O ATOM 0 H GLU A 56 19.094 28.743 19.078 1.00 20.00 H new ATOM 0 HA GLU A 56 19.687 26.083 20.128 1.00 20.00 H new ATOM 0 HB2 GLU A 56 17.241 26.506 20.618 1.00 20.00 H new ATOM 0 HB3 GLU A 56 16.984 26.793 18.909 1.00 20.00 H new ATOM 0 HG2 GLU A 56 17.474 24.508 18.344 1.00 20.00 H new ATOM 0 HG3 GLU A 56 18.137 24.177 19.932 1.00 20.00 H new ATOM 288 N LEU A 57 20.137 25.286 17.822 1.00 20.00 N ATOM 289 CA LEU A 57 20.683 24.815 16.552 1.00 20.00 C ATOM 290 C LEU A 57 20.186 23.393 16.267 1.00 20.00 C ATOM 291 O LEU A 57 19.530 22.766 17.102 1.00 20.00 O ATOM 292 CB LEU A 57 22.225 24.867 16.601 1.00 20.00 C ATOM 293 CG LEU A 57 22.808 26.295 16.672 1.00 20.00 C ATOM 294 CD1 LEU A 57 24.315 26.222 16.908 1.00 20.00 C ATOM 295 CD2 LEU A 57 22.547 27.133 15.410 1.00 20.00 C ATOM 0 H LEU A 57 20.218 24.584 18.558 1.00 20.00 H new ATOM 0 HA LEU A 57 20.343 25.461 15.743 1.00 20.00 H new ATOM 0 HB2 LEU A 57 22.569 24.303 17.468 1.00 20.00 H new ATOM 0 HB3 LEU A 57 22.622 24.368 15.717 1.00 20.00 H new ATOM 0 HG LEU A 57 22.298 26.791 17.498 1.00 20.00 H new ATOM 0 HD11 LEU A 57 24.725 27.231 16.958 1.00 20.00 H new ATOM 0 HD12 LEU A 57 24.512 25.704 17.847 1.00 20.00 H new ATOM 0 HD13 LEU A 57 24.786 25.679 16.088 1.00 20.00 H new ATOM 0 HD21 LEU A 57 22.986 28.123 15.534 1.00 20.00 H new ATOM 0 HD22 LEU A 57 22.997 26.642 14.547 1.00 20.00 H new ATOM 0 HD23 LEU A 57 21.473 27.229 15.253 1.00 20.00 H new ATOM 307 N GLN A 58 20.534 22.886 15.078 1.00 20.00 N ATOM 308 CA GLN A 58 20.224 21.530 14.621 1.00 20.00 C ATOM 309 C GLN A 58 21.495 20.721 14.332 1.00 20.00 C ATOM 310 O GLN A 58 21.518 19.516 14.576 1.00 20.00 O ATOM 311 CB GLN A 58 19.261 21.583 13.420 1.00 20.00 C ATOM 312 CG GLN A 58 19.862 22.151 12.122 1.00 20.00 C ATOM 313 CD GLN A 58 18.847 22.255 10.977 1.00 20.00 C ATOM 314 OE1 GLN A 58 17.884 21.498 10.898 1.00 20.00 O ATOM 315 NE2 GLN A 58 19.067 23.198 10.060 1.00 20.00 N ATOM 0 H GLN A 58 21.055 23.427 14.388 1.00 20.00 H new ATOM 0 HA GLN A 58 19.715 20.999 15.425 1.00 20.00 H new ATOM 0 HB2 GLN A 58 18.897 20.575 13.222 1.00 20.00 H new ATOM 0 HB3 GLN A 58 18.396 22.186 13.695 1.00 20.00 H new ATOM 0 HG2 GLN A 58 20.274 23.140 12.323 1.00 20.00 H new ATOM 0 HG3 GLN A 58 20.691 21.518 11.807 1.00 20.00 H new ATOM 0 HE21 GLN A 58 19.874 23.815 10.147 1.00 20.00 H new ATOM 0 HE22 GLN A 58 18.428 23.302 9.272 1.00 20.00 H new ATOM 324 N ALA A 59 22.555 21.386 13.853 1.00 20.00 N ATOM 325 CA ALA A 59 23.848 20.777 13.566 1.00 20.00 C ATOM 326 C ALA A 59 24.704 20.588 14.828 1.00 20.00 C ATOM 327 O ALA A 59 25.480 19.636 14.882 1.00 20.00 O ATOM 328 CB ALA A 59 24.585 21.646 12.542 1.00 20.00 C ATOM 0 H ALA A 59 22.530 22.386 13.652 1.00 20.00 H new ATOM 0 HA ALA A 59 23.673 19.780 13.161 1.00 20.00 H new ATOM 0 HB1 ALA A 59 25.555 21.201 12.318 1.00 20.00 H new ATOM 0 HB2 ALA A 59 23.995 21.710 11.627 1.00 20.00 H new ATOM 0 HB3 ALA A 59 24.730 22.646 12.951 1.00 20.00 H new ATOM 334 N GLU A 60 24.559 21.469 15.834 1.00 20.00 N ATOM 335 CA GLU A 60 25.365 21.460 17.058 1.00 20.00 C ATOM 336 C GLU A 60 24.595 20.939 18.280 1.00 20.00 C ATOM 337 O GLU A 60 25.226 20.616 19.284 1.00 20.00 O ATOM 338 CB GLU A 60 25.902 22.873 17.336 1.00 20.00 C ATOM 339 CG GLU A 60 27.189 23.219 16.571 1.00 20.00 C ATOM 340 CD GLU A 60 27.015 23.240 15.053 1.00 20.00 C ATOM 341 OE1 GLU A 60 27.523 22.300 14.402 1.00 20.00 O ATOM 342 OE2 GLU A 60 26.419 24.215 14.550 1.00 20.00 O ATOM 0 H GLU A 60 23.866 22.217 15.814 1.00 20.00 H new ATOM 0 HA GLU A 60 26.192 20.770 16.891 1.00 20.00 H new ATOM 0 HB2 GLU A 60 25.132 23.600 17.077 1.00 20.00 H new ATOM 0 HB3 GLU A 60 26.089 22.975 18.405 1.00 20.00 H new ATOM 0 HG2 GLU A 60 27.546 24.195 16.900 1.00 20.00 H new ATOM 0 HG3 GLU A 60 27.961 22.494 16.829 1.00 20.00 H new ATOM 349 N SER A 61 23.263 20.792 18.203 1.00 20.00 N ATOM 350 CA SER A 61 22.478 20.112 19.233 1.00 20.00 C ATOM 351 C SER A 61 22.821 18.615 19.329 1.00 20.00 C ATOM 352 O SER A 61 22.639 18.022 20.391 1.00 20.00 O ATOM 353 CB SER A 61 20.983 20.315 18.967 1.00 20.00 C ATOM 354 OG SER A 61 20.617 19.811 17.696 1.00 20.00 O ATOM 0 H SER A 61 22.705 21.142 17.424 1.00 20.00 H new ATOM 0 HA SER A 61 22.733 20.555 20.196 1.00 20.00 H new ATOM 0 HB2 SER A 61 20.402 19.814 19.741 1.00 20.00 H new ATOM 0 HB3 SER A 61 20.742 21.376 19.024 1.00 20.00 H new ATOM 0 HG SER A 61 19.658 19.952 17.552 1.00 20.00 H new ATOM 360 N ALA A 62 23.367 18.030 18.250 1.00 20.00 N ATOM 361 CA ALA A 62 23.885 16.669 18.187 1.00 20.00 C ATOM 362 C ALA A 62 25.166 16.465 19.015 1.00 20.00 C ATOM 363 O ALA A 62 25.463 15.329 19.387 1.00 20.00 O ATOM 364 CB ALA A 62 24.145 16.327 16.715 1.00 20.00 C ATOM 0 H ALA A 62 23.460 18.522 17.362 1.00 20.00 H new ATOM 0 HA ALA A 62 23.140 16.003 18.623 1.00 20.00 H new ATOM 0 HB1 ALA A 62 24.534 15.311 16.641 1.00 20.00 H new ATOM 0 HB2 ALA A 62 23.213 16.401 16.154 1.00 20.00 H new ATOM 0 HB3 ALA A 62 24.873 17.025 16.302 1.00 20.00 H new ATOM 370 N SER A 63 25.901 17.544 19.336 1.00 20.00 N ATOM 371 CA SER A 63 27.058 17.518 20.229 1.00 20.00 C ATOM 372 C SER A 63 26.624 17.196 21.666 1.00 20.00 C ATOM 373 O SER A 63 27.292 16.414 22.345 1.00 20.00 O ATOM 374 CB SER A 63 27.772 18.875 20.176 1.00 20.00 C ATOM 375 OG SER A 63 28.979 18.842 20.905 1.00 20.00 O ATOM 0 H SER A 63 25.698 18.475 18.971 1.00 20.00 H new ATOM 0 HA SER A 63 27.744 16.737 19.901 1.00 20.00 H new ATOM 0 HB2 SER A 63 27.977 19.141 19.139 1.00 20.00 H new ATOM 0 HB3 SER A 63 27.120 19.649 20.581 1.00 20.00 H new ATOM 0 HG SER A 63 29.416 19.718 20.855 1.00 20.00 H new ATOM 381 N CYS A 64 25.488 17.761 22.103 1.00 20.00 N ATOM 382 CA CYS A 64 24.827 17.450 23.366 1.00 20.00 C ATOM 383 C CYS A 64 24.108 16.091 23.345 1.00 20.00 C ATOM 384 O CYS A 64 23.858 15.523 24.407 1.00 20.00 O ATOM 385 CB CYS A 64 23.811 18.550 23.673 1.00 20.00 C ATOM 386 SG CYS A 64 24.477 20.232 23.730 1.00 20.00 S ATOM 0 H CYS A 64 24.993 18.471 21.563 1.00 20.00 H new ATOM 0 HA CYS A 64 25.597 17.394 24.135 1.00 20.00 H new ATOM 0 HB2 CYS A 64 23.025 18.515 22.919 1.00 20.00 H new ATOM 0 HB3 CYS A 64 23.343 18.331 24.633 1.00 20.00 H new ATOM 391 N GLY A 65 23.795 15.570 22.150 1.00 20.00 N ATOM 392 CA GLY A 65 23.168 14.278 21.922 1.00 20.00 C ATOM 393 C GLY A 65 21.685 14.434 21.602 1.00 20.00 C ATOM 394 O GLY A 65 21.296 15.287 20.804 1.00 20.00 O ATOM 0 H GLY A 65 23.985 16.069 21.281 1.00 20.00 H new ATOM 0 HA2 GLY A 65 23.669 13.768 21.099 1.00 20.00 H new ATOM 0 HA3 GLY A 65 23.288 13.651 22.806 1.00 20.00 H new ATOM 398 N LYS A 66 20.868 13.573 22.223 1.00 20.00 N ATOM 399 CA LYS A 66 19.419 13.497 22.068 1.00 20.00 C ATOM 400 C LYS A 66 18.761 13.934 23.382 1.00 20.00 C ATOM 401 O LYS A 66 18.862 13.226 24.383 1.00 20.00 O ATOM 402 CB LYS A 66 18.992 12.062 21.693 1.00 20.00 C ATOM 403 CG LYS A 66 19.173 11.683 20.211 1.00 20.00 C ATOM 404 CD LYS A 66 20.637 11.511 19.765 1.00 20.00 C ATOM 405 CE LYS A 66 20.737 10.935 18.347 1.00 20.00 C ATOM 406 NZ LYS A 66 20.374 9.505 18.296 1.00 20.00 N ATOM 0 H LYS A 66 21.223 12.878 22.879 1.00 20.00 H new ATOM 0 HA LYS A 66 19.098 14.159 21.264 1.00 20.00 H new ATOM 0 HB2 LYS A 66 19.563 11.361 22.302 1.00 20.00 H new ATOM 0 HB3 LYS A 66 17.943 11.933 21.958 1.00 20.00 H new ATOM 0 HG2 LYS A 66 18.638 10.753 20.020 1.00 20.00 H new ATOM 0 HG3 LYS A 66 18.707 12.452 19.594 1.00 20.00 H new ATOM 0 HD2 LYS A 66 21.144 12.475 19.802 1.00 20.00 H new ATOM 0 HD3 LYS A 66 21.154 10.852 20.462 1.00 20.00 H new ATOM 0 HE2 LYS A 66 20.082 11.498 17.682 1.00 20.00 H new ATOM 0 HE3 LYS A 66 21.754 11.063 17.976 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 20.569 9.131 17.346 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 20.934 8.979 18.997 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 19.362 9.396 18.510 1.00 20.00 H new ATOM 420 N GLY A 67 18.095 15.099 23.365 1.00 20.00 N ATOM 421 CA GLY A 67 17.341 15.650 24.493 1.00 20.00 C ATOM 422 C GLY A 67 17.814 17.032 24.960 1.00 20.00 C ATOM 423 O GLY A 67 17.211 17.585 25.878 1.00 20.00 O ATOM 0 H GLY A 67 18.068 15.698 22.540 1.00 20.00 H new ATOM 0 HA2 GLY A 67 16.289 15.715 24.214 1.00 20.00 H new ATOM 0 HA3 GLY A 67 17.406 14.956 25.331 1.00 20.00 H new ATOM 427 N GLN A 68 18.869 17.590 24.349 1.00 20.00 N ATOM 428 CA GLN A 68 19.434 18.903 24.667 1.00 20.00 C ATOM 429 C GLN A 68 19.844 19.652 23.393 1.00 20.00 C ATOM 430 O GLN A 68 19.888 19.081 22.303 1.00 20.00 O ATOM 431 CB GLN A 68 20.656 18.730 25.585 1.00 20.00 C ATOM 432 CG GLN A 68 20.302 18.375 27.036 1.00 20.00 C ATOM 433 CD GLN A 68 21.535 18.507 27.931 1.00 20.00 C ATOM 434 OE1 GLN A 68 22.590 17.950 27.638 1.00 20.00 O ATOM 435 NE2 GLN A 68 21.422 19.261 29.021 1.00 20.00 N ATOM 0 H GLN A 68 19.368 17.120 23.593 1.00 20.00 H new ATOM 0 HA GLN A 68 18.671 19.491 25.176 1.00 20.00 H new ATOM 0 HB2 GLN A 68 21.297 17.948 25.177 1.00 20.00 H new ATOM 0 HB3 GLN A 68 21.236 19.653 25.579 1.00 20.00 H new ATOM 0 HG2 GLN A 68 19.511 19.033 27.396 1.00 20.00 H new ATOM 0 HG3 GLN A 68 19.916 17.357 27.085 1.00 20.00 H new ATOM 0 HE21 GLN A 68 20.533 19.712 29.240 1.00 20.00 H new ATOM 0 HE22 GLN A 68 22.224 19.389 29.638 1.00 20.00 H new ATOM 444 N LYS A 69 20.167 20.941 23.552 1.00 20.00 N ATOM 445 CA LYS A 69 20.623 21.831 22.489 1.00 20.00 C ATOM 446 C LYS A 69 21.701 22.799 22.986 1.00 20.00 C ATOM 447 O LYS A 69 21.925 22.934 24.189 1.00 20.00 O ATOM 448 CB LYS A 69 19.421 22.549 21.848 1.00 20.00 C ATOM 449 CG LYS A 69 18.405 23.222 22.795 1.00 20.00 C ATOM 450 CD LYS A 69 18.879 24.513 23.473 1.00 20.00 C ATOM 451 CE LYS A 69 17.702 25.170 24.209 1.00 20.00 C ATOM 452 NZ LYS A 69 17.000 26.190 23.401 1.00 20.00 N ATOM 0 H LYS A 69 20.115 21.405 24.459 1.00 20.00 H new ATOM 0 HA LYS A 69 21.099 21.234 21.711 1.00 20.00 H new ATOM 0 HB2 LYS A 69 19.807 23.312 21.171 1.00 20.00 H new ATOM 0 HB3 LYS A 69 18.883 21.824 21.237 1.00 20.00 H new ATOM 0 HG2 LYS A 69 17.500 23.442 22.229 1.00 20.00 H new ATOM 0 HG3 LYS A 69 18.130 22.507 23.570 1.00 20.00 H new ATOM 0 HD2 LYS A 69 19.683 24.293 24.175 1.00 20.00 H new ATOM 0 HD3 LYS A 69 19.284 25.199 22.729 1.00 20.00 H new ATOM 0 HE2 LYS A 69 16.991 24.398 24.504 1.00 20.00 H new ATOM 0 HE3 LYS A 69 18.069 25.632 25.125 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 16.369 26.745 24.014 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 17.697 26.822 22.958 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 16.439 25.721 22.661 1.00 20.00 H new ATOM 466 N CYS A 70 22.370 23.467 22.036 1.00 20.00 N ATOM 467 CA CYS A 70 23.420 24.442 22.305 1.00 20.00 C ATOM 468 C CYS A 70 22.804 25.822 22.550 1.00 20.00 C ATOM 469 O CYS A 70 21.833 26.189 21.889 1.00 20.00 O ATOM 470 CB CYS A 70 24.370 24.493 21.104 1.00 20.00 C ATOM 471 SG CYS A 70 25.865 25.471 21.401 1.00 20.00 S ATOM 0 H CYS A 70 22.188 23.337 21.041 1.00 20.00 H new ATOM 0 HA CYS A 70 23.974 24.149 23.197 1.00 20.00 H new ATOM 0 HB2 CYS A 70 24.658 23.476 20.836 1.00 20.00 H new ATOM 0 HB3 CYS A 70 23.838 24.909 20.248 1.00 20.00 H new ATOM 0 HG CYS A 70 26.611 25.458 20.336 1.00 20.00 H new ATOM 476 N CYS A 71 23.406 26.591 23.467 1.00 20.00 N ATOM 477 CA CYS A 71 22.993 27.944 23.821 1.00 20.00 C ATOM 478 C CYS A 71 24.187 28.898 23.954 1.00 20.00 C ATOM 479 O CYS A 71 25.347 28.482 23.950 1.00 20.00 O ATOM 480 CB CYS A 71 22.185 27.902 25.127 1.00 20.00 C ATOM 481 SG CYS A 71 20.465 27.384 24.921 1.00 20.00 S ATOM 0 H CYS A 71 24.218 26.273 23.996 1.00 20.00 H new ATOM 0 HA CYS A 71 22.371 28.331 23.014 1.00 20.00 H new ATOM 0 HB2 CYS A 71 22.676 27.222 25.823 1.00 20.00 H new ATOM 0 HB3 CYS A 71 22.202 28.892 25.583 1.00 20.00 H new