USER MOD reduce.3.24.130724 H: found=0, std=0, add=179, rem=0, adj=5 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= -0.845 X(o=-0.85,f=-0.92) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 61 SER OG : rot 163:sc= 0.979 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.059) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= 0.942 (180deg=0.574) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N GLU A 46 25.334 27.125 25.929 1.00 20.00 N ATOM 117 CA GLU A 46 25.193 25.969 26.815 1.00 20.00 C ATOM 118 C GLU A 46 24.266 24.915 26.194 1.00 20.00 C ATOM 119 O GLU A 46 23.528 25.202 25.251 1.00 20.00 O ATOM 120 CB GLU A 46 24.622 26.433 28.167 1.00 20.00 C ATOM 121 CG GLU A 46 25.606 27.299 28.971 1.00 20.00 C ATOM 122 CD GLU A 46 25.007 27.866 30.263 1.00 20.00 C ATOM 123 OE1 GLU A 46 23.995 27.314 30.752 1.00 20.00 O ATOM 124 OE2 GLU A 46 25.578 28.863 30.757 1.00 20.00 O ATOM 0 HA GLU A 46 26.174 25.517 26.962 1.00 20.00 H new ATOM 0 HB2 GLU A 46 23.707 26.999 27.993 1.00 20.00 H new ATOM 0 HB3 GLU A 46 24.349 25.559 28.759 1.00 20.00 H new ATOM 0 HG2 GLU A 46 26.484 26.703 29.218 1.00 20.00 H new ATOM 0 HG3 GLU A 46 25.947 28.124 28.345 1.00 20.00 H new ATOM 131 N CYS A 47 24.278 23.708 26.776 1.00 20.00 N ATOM 132 CA CYS A 47 23.422 22.584 26.422 1.00 20.00 C ATOM 133 C CYS A 47 22.494 22.263 27.596 1.00 20.00 C ATOM 134 O CYS A 47 22.944 21.962 28.703 1.00 20.00 O ATOM 135 CB CYS A 47 24.271 21.381 26.002 1.00 20.00 C ATOM 136 SG CYS A 47 25.137 21.586 24.420 1.00 20.00 S ATOM 0 H CYS A 47 24.916 23.486 27.540 1.00 20.00 H new ATOM 0 HA CYS A 47 22.799 22.844 25.566 1.00 20.00 H new ATOM 0 HB2 CYS A 47 25.007 21.182 26.781 1.00 20.00 H new ATOM 0 HB3 CYS A 47 23.628 20.503 25.939 1.00 20.00 H new ATOM 141 N ASN A 48 21.189 22.385 27.337 1.00 20.00 N ATOM 142 CA ASN A 48 20.105 22.377 28.317 1.00 20.00 C ATOM 143 C ASN A 48 18.874 21.667 27.724 1.00 20.00 C ATOM 144 O ASN A 48 18.784 21.546 26.500 1.00 20.00 O ATOM 145 CB ASN A 48 19.804 23.830 28.745 1.00 20.00 C ATOM 146 CG ASN A 48 19.689 24.810 27.580 1.00 20.00 C ATOM 147 OD1 ASN A 48 18.605 25.059 27.061 1.00 20.00 O ATOM 148 ND2 ASN A 48 20.823 25.379 27.178 1.00 20.00 N ATOM 0 H ASN A 48 20.844 22.498 26.384 1.00 20.00 H new ATOM 0 HA ASN A 48 20.394 21.821 29.209 1.00 20.00 H new ATOM 0 HB2 ASN A 48 18.873 23.845 29.312 1.00 20.00 H new ATOM 0 HB3 ASN A 48 20.592 24.171 29.416 1.00 20.00 H new ATOM 0 HD21 ASN A 48 20.812 26.051 26.411 1.00 20.00 H new ATOM 0 HD22 ASN A 48 21.703 25.143 27.637 1.00 20.00 H new ATOM 155 N PRO A 49 17.910 21.202 28.549 1.00 20.00 N ATOM 156 CA PRO A 49 16.726 20.507 28.053 1.00 20.00 C ATOM 157 C PRO A 49 15.796 21.453 27.288 1.00 20.00 C ATOM 158 O PRO A 49 15.865 22.674 27.427 1.00 20.00 O ATOM 159 CB PRO A 49 16.048 19.909 29.291 1.00 20.00 C ATOM 160 CG PRO A 49 16.470 20.853 30.414 1.00 20.00 C ATOM 161 CD PRO A 49 17.887 21.248 30.007 1.00 20.00 C ATOM 0 HA PRO A 49 16.990 19.729 27.337 1.00 20.00 H new ATOM 0 HB2 PRO A 49 14.964 19.876 29.179 1.00 20.00 H new ATOM 0 HB3 PRO A 49 16.380 18.888 29.478 1.00 20.00 H new ATOM 0 HG2 PRO A 49 15.812 21.719 30.483 1.00 20.00 H new ATOM 0 HG3 PRO A 49 16.451 20.360 31.386 1.00 20.00 H new ATOM 0 HD2 PRO A 49 18.134 22.245 30.371 1.00 20.00 H new ATOM 0 HD3 PRO A 49 18.621 20.563 30.431 1.00 20.00 H new ATOM 169 N LEU A 50 14.899 20.861 26.495 1.00 20.00 N ATOM 170 CA LEU A 50 13.893 21.552 25.688 1.00 20.00 C ATOM 171 C LEU A 50 12.926 22.368 26.557 1.00 20.00 C ATOM 172 O LEU A 50 12.498 23.447 26.152 1.00 20.00 O ATOM 173 CB LEU A 50 13.118 20.497 24.889 1.00 20.00 C ATOM 174 CG LEU A 50 13.988 19.703 23.890 1.00 20.00 C ATOM 175 CD1 LEU A 50 13.262 18.396 23.559 1.00 20.00 C ATOM 176 CD2 LEU A 50 14.276 20.498 22.612 1.00 20.00 C ATOM 0 H LEU A 50 14.853 19.847 26.394 1.00 20.00 H new ATOM 0 HA LEU A 50 14.393 22.254 25.021 1.00 20.00 H new ATOM 0 HB2 LEU A 50 12.652 19.799 25.584 1.00 20.00 H new ATOM 0 HB3 LEU A 50 12.313 20.988 24.343 1.00 20.00 H new ATOM 0 HG LEU A 50 14.955 19.499 24.349 1.00 20.00 H new ATOM 0 HD11 LEU A 50 13.858 17.817 22.854 1.00 20.00 H new ATOM 0 HD12 LEU A 50 13.118 17.818 24.472 1.00 20.00 H new ATOM 0 HD13 LEU A 50 12.292 18.621 23.115 1.00 20.00 H new ATOM 0 HD21 LEU A 50 14.891 19.898 21.941 1.00 20.00 H new ATOM 0 HD22 LEU A 50 13.336 20.746 22.119 1.00 20.00 H new ATOM 0 HD23 LEU A 50 14.806 21.416 22.866 1.00 20.00 H new ATOM 188 N ASP A 51 12.633 21.858 27.760 1.00 20.00 N ATOM 189 CA ASP A 51 11.805 22.483 28.792 1.00 20.00 C ATOM 190 C ASP A 51 12.318 23.859 29.261 1.00 20.00 C ATOM 191 O ASP A 51 11.521 24.657 29.757 1.00 20.00 O ATOM 192 CB ASP A 51 11.721 21.506 29.976 1.00 20.00 C ATOM 193 CG ASP A 51 10.865 22.031 31.131 1.00 20.00 C ATOM 194 OD1 ASP A 51 9.641 22.184 30.923 1.00 20.00 O ATOM 195 OD2 ASP A 51 11.445 22.267 32.215 1.00 20.00 O ATOM 0 H ASP A 51 12.988 20.948 28.053 1.00 20.00 H new ATOM 0 HA ASP A 51 10.823 22.681 28.362 1.00 20.00 H new ATOM 0 HB2 ASP A 51 11.309 20.559 29.628 1.00 20.00 H new ATOM 0 HB3 ASP A 51 12.727 21.301 30.342 1.00 20.00 H new ATOM 200 N ARG A 52 13.619 24.152 29.094 1.00 20.00 N ATOM 201 CA ARG A 52 14.238 25.415 29.496 1.00 20.00 C ATOM 202 C ARG A 52 13.647 26.597 28.713 1.00 20.00 C ATOM 203 O ARG A 52 13.225 26.446 27.566 1.00 20.00 O ATOM 204 CB ARG A 52 15.761 25.305 29.289 1.00 20.00 C ATOM 205 CG ARG A 52 16.579 26.421 29.949 1.00 20.00 C ATOM 206 CD ARG A 52 16.421 26.404 31.477 1.00 20.00 C ATOM 207 NE ARG A 52 17.603 26.969 32.138 1.00 20.00 N ATOM 208 CZ ARG A 52 17.699 27.353 33.419 1.00 20.00 C ATOM 209 NH1 ARG A 52 16.652 27.331 34.244 1.00 20.00 N ATOM 210 NH2 ARG A 52 18.872 27.769 33.894 1.00 20.00 N ATOM 0 H ARG A 52 14.278 23.501 28.667 1.00 20.00 H new ATOM 0 HA ARG A 52 14.031 25.604 30.549 1.00 20.00 H new ATOM 0 HB2 ARG A 52 16.099 24.345 29.680 1.00 20.00 H new ATOM 0 HB3 ARG A 52 15.970 25.304 28.219 1.00 20.00 H new ATOM 0 HG2 ARG A 52 17.631 26.305 29.689 1.00 20.00 H new ATOM 0 HG3 ARG A 52 16.259 27.387 29.559 1.00 20.00 H new ATOM 0 HD2 ARG A 52 15.536 26.973 31.760 1.00 20.00 H new ATOM 0 HD3 ARG A 52 16.265 25.381 31.818 1.00 20.00 H new ATOM 0 HE ARG A 52 18.438 27.081 31.563 1.00 20.00 H new ATOM 0 HH11 ARG A 52 15.743 27.015 33.906 1.00 20.00 H new ATOM 0 HH12 ARG A 52 16.760 27.630 35.213 1.00 20.00 H new ATOM 0 HH21 ARG A 52 19.689 27.794 33.284 1.00 20.00 H new ATOM 0 HH22 ARG A 52 18.953 28.063 34.867 1.00 20.00 H new ATOM 224 N GLN A 53 13.646 27.783 29.333 1.00 20.00 N ATOM 225 CA GLN A 53 13.111 29.016 28.760 1.00 20.00 C ATOM 226 C GLN A 53 14.218 29.771 28.013 1.00 20.00 C ATOM 227 O GLN A 53 14.862 30.662 28.572 1.00 20.00 O ATOM 228 CB GLN A 53 12.466 29.856 29.875 1.00 20.00 C ATOM 229 CG GLN A 53 11.164 29.222 30.396 1.00 20.00 C ATOM 230 CD GLN A 53 10.748 29.827 31.734 1.00 20.00 C ATOM 231 OE1 GLN A 53 10.559 31.036 31.846 1.00 20.00 O ATOM 232 NE2 GLN A 53 10.612 28.997 32.765 1.00 20.00 N ATOM 0 H GLN A 53 14.028 27.911 30.270 1.00 20.00 H new ATOM 0 HA GLN A 53 12.335 28.790 28.028 1.00 20.00 H new ATOM 0 HB2 GLN A 53 13.171 29.966 30.699 1.00 20.00 H new ATOM 0 HB3 GLN A 53 12.256 30.857 29.499 1.00 20.00 H new ATOM 0 HG2 GLN A 53 10.368 29.368 29.665 1.00 20.00 H new ATOM 0 HG3 GLN A 53 11.300 28.146 30.508 1.00 20.00 H new ATOM 0 HE21 GLN A 53 10.776 27.998 32.641 1.00 20.00 H new ATOM 0 HE22 GLN A 53 10.344 29.360 33.680 1.00 20.00 H new ATOM 241 N CYS A 54 14.451 29.384 26.750 1.00 20.00 N ATOM 242 CA CYS A 54 15.430 30.001 25.855 1.00 20.00 C ATOM 243 C CYS A 54 15.138 29.666 24.379 1.00 20.00 C ATOM 244 O CYS A 54 14.204 28.923 24.074 1.00 20.00 O ATOM 245 CB CYS A 54 16.835 29.539 26.272 1.00 20.00 C ATOM 246 SG CYS A 54 18.188 30.594 25.705 1.00 20.00 S ATOM 0 H CYS A 54 13.947 28.611 26.315 1.00 20.00 H new ATOM 0 HA CYS A 54 15.366 31.086 25.941 1.00 20.00 H new ATOM 0 HB2 CYS A 54 16.873 29.479 27.360 1.00 20.00 H new ATOM 0 HB3 CYS A 54 16.997 28.531 25.891 1.00 20.00 H new ATOM 251 N LYS A 55 15.961 30.205 23.465 1.00 20.00 N ATOM 252 CA LYS A 55 15.956 29.920 22.026 1.00 20.00 C ATOM 253 C LYS A 55 16.263 28.433 21.762 1.00 20.00 C ATOM 254 O LYS A 55 16.854 27.755 22.604 1.00 20.00 O ATOM 255 CB LYS A 55 16.987 30.846 21.345 1.00 20.00 C ATOM 256 CG LYS A 55 16.864 30.902 19.812 1.00 20.00 C ATOM 257 CD LYS A 55 17.910 31.838 19.186 1.00 20.00 C ATOM 258 CE LYS A 55 17.859 31.817 17.656 1.00 20.00 C ATOM 259 NZ LYS A 55 16.692 32.535 17.112 1.00 20.00 N ATOM 0 H LYS A 55 16.679 30.881 23.724 1.00 20.00 H new ATOM 0 HA LYS A 55 14.968 30.114 21.608 1.00 20.00 H new ATOM 0 HB2 LYS A 55 16.874 31.854 21.745 1.00 20.00 H new ATOM 0 HB3 LYS A 55 17.990 30.509 21.606 1.00 20.00 H new ATOM 0 HG2 LYS A 55 16.983 29.899 19.402 1.00 20.00 H new ATOM 0 HG3 LYS A 55 15.864 31.241 19.540 1.00 20.00 H new ATOM 0 HD2 LYS A 55 17.743 32.855 19.540 1.00 20.00 H new ATOM 0 HD3 LYS A 55 18.905 31.543 19.519 1.00 20.00 H new ATOM 0 HE2 LYS A 55 18.771 32.264 17.261 1.00 20.00 H new ATOM 0 HE3 LYS A 55 17.836 30.783 17.312 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 16.709 32.488 16.073 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 15.818 32.095 17.464 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 16.724 33.530 17.414 1.00 20.00 H new ATOM 273 N GLU A 56 15.874 27.942 20.576 1.00 20.00 N ATOM 274 CA GLU A 56 16.035 26.562 20.125 1.00 20.00 C ATOM 275 C GLU A 56 16.513 26.555 18.669 1.00 20.00 C ATOM 276 O GLU A 56 15.759 26.890 17.754 1.00 20.00 O ATOM 277 CB GLU A 56 14.709 25.815 20.346 1.00 20.00 C ATOM 278 CG GLU A 56 14.846 24.288 20.340 1.00 20.00 C ATOM 279 CD GLU A 56 14.933 23.612 18.973 1.00 20.00 C ATOM 280 OE1 GLU A 56 14.209 24.038 18.050 1.00 20.00 O ATOM 281 OE2 GLU A 56 15.679 22.608 18.893 1.00 20.00 O ATOM 0 H GLU A 56 15.418 28.528 19.877 1.00 20.00 H new ATOM 0 HA GLU A 56 16.798 26.037 20.700 1.00 20.00 H new ATOM 0 HB2 GLU A 56 14.282 26.128 21.299 1.00 20.00 H new ATOM 0 HB3 GLU A 56 14.004 26.109 19.569 1.00 20.00 H new ATOM 0 HG2 GLU A 56 15.739 24.024 20.907 1.00 20.00 H new ATOM 0 HG3 GLU A 56 13.993 23.868 20.874 1.00 20.00 H new ATOM 288 N LEU A 57 17.793 26.210 18.475 1.00 20.00 N ATOM 289 CA LEU A 57 18.458 26.140 17.170 1.00 20.00 C ATOM 290 C LEU A 57 18.105 24.844 16.428 1.00 20.00 C ATOM 291 O LEU A 57 17.292 24.052 16.898 1.00 20.00 O ATOM 292 CB LEU A 57 19.986 26.314 17.356 1.00 20.00 C ATOM 293 CG LEU A 57 20.381 27.716 17.847 1.00 20.00 C ATOM 294 CD1 LEU A 57 21.883 27.823 18.095 1.00 20.00 C ATOM 295 CD2 LEU A 57 19.977 28.831 16.883 1.00 20.00 C ATOM 0 H LEU A 57 18.412 25.964 19.247 1.00 20.00 H new ATOM 0 HA LEU A 57 18.097 26.955 16.543 1.00 20.00 H new ATOM 0 HB2 LEU A 57 20.345 25.572 18.069 1.00 20.00 H new ATOM 0 HB3 LEU A 57 20.486 26.114 16.408 1.00 20.00 H new ATOM 0 HG LEU A 57 19.833 27.849 18.780 1.00 20.00 H new ATOM 0 HD11 LEU A 57 22.124 28.828 18.441 1.00 20.00 H new ATOM 0 HD12 LEU A 57 22.179 27.098 18.853 1.00 20.00 H new ATOM 0 HD13 LEU A 57 22.420 27.620 17.169 1.00 20.00 H new ATOM 0 HD21 LEU A 57 20.285 29.794 17.290 1.00 20.00 H new ATOM 0 HD22 LEU A 57 20.462 28.673 15.920 1.00 20.00 H new ATOM 0 HD23 LEU A 57 18.895 28.823 16.750 1.00 20.00 H new ATOM 307 N GLN A 58 18.707 24.640 15.250 1.00 20.00 N ATOM 308 CA GLN A 58 18.520 23.450 14.420 1.00 20.00 C ATOM 309 C GLN A 58 19.849 22.766 14.091 1.00 20.00 C ATOM 310 O GLN A 58 19.931 21.542 14.171 1.00 20.00 O ATOM 311 CB GLN A 58 17.676 23.805 13.182 1.00 20.00 C ATOM 312 CG GLN A 58 18.313 24.781 12.181 1.00 20.00 C ATOM 313 CD GLN A 58 17.321 25.192 11.091 1.00 20.00 C ATOM 314 OE1 GLN A 58 16.281 25.778 11.379 1.00 20.00 O ATOM 315 NE2 GLN A 58 17.633 24.904 9.828 1.00 20.00 N ATOM 0 H GLN A 58 19.352 25.315 14.840 1.00 20.00 H new ATOM 0 HA GLN A 58 17.960 22.704 14.984 1.00 20.00 H new ATOM 0 HB2 GLN A 58 17.437 22.882 12.655 1.00 20.00 H new ATOM 0 HB3 GLN A 58 16.732 24.231 13.522 1.00 20.00 H new ATOM 0 HG2 GLN A 58 18.664 25.668 12.709 1.00 20.00 H new ATOM 0 HG3 GLN A 58 19.186 24.316 11.723 1.00 20.00 H new ATOM 0 HE21 GLN A 58 18.503 24.416 9.616 1.00 20.00 H new ATOM 0 HE22 GLN A 58 17.001 25.171 9.073 1.00 20.00 H new ATOM 324 N ALA A 59 20.893 23.546 13.782 1.00 20.00 N ATOM 325 CA ALA A 59 22.233 23.037 13.518 1.00 20.00 C ATOM 326 C ALA A 59 22.994 22.720 14.814 1.00 20.00 C ATOM 327 O ALA A 59 23.708 21.717 14.859 1.00 20.00 O ATOM 328 CB ALA A 59 22.993 24.064 12.677 1.00 20.00 C ATOM 0 H ALA A 59 20.823 24.561 13.709 1.00 20.00 H new ATOM 0 HA ALA A 59 22.149 22.098 12.970 1.00 20.00 H new ATOM 0 HB1 ALA A 59 23.998 23.695 12.472 1.00 20.00 H new ATOM 0 HB2 ALA A 59 22.467 24.225 11.736 1.00 20.00 H new ATOM 0 HB3 ALA A 59 23.056 25.006 13.222 1.00 20.00 H new ATOM 334 N GLU A 60 22.835 23.544 15.865 1.00 20.00 N ATOM 335 CA GLU A 60 23.559 23.401 17.127 1.00 20.00 C ATOM 336 C GLU A 60 22.720 22.719 18.221 1.00 20.00 C ATOM 337 O GLU A 60 23.281 22.288 19.229 1.00 20.00 O ATOM 338 CB GLU A 60 24.015 24.784 17.603 1.00 20.00 C ATOM 339 CG GLU A 60 25.273 25.318 16.904 1.00 20.00 C ATOM 340 CD GLU A 60 25.074 25.668 15.427 1.00 20.00 C ATOM 341 OE1 GLU A 60 24.228 26.545 15.143 1.00 20.00 O ATOM 342 OE2 GLU A 60 25.800 25.078 14.596 1.00 20.00 O ATOM 0 H GLU A 60 22.191 24.335 15.855 1.00 20.00 H new ATOM 0 HA GLU A 60 24.419 22.756 16.943 1.00 20.00 H new ATOM 0 HB2 GLU A 60 23.201 25.493 17.449 1.00 20.00 H new ATOM 0 HB3 GLU A 60 24.202 24.741 18.676 1.00 20.00 H new ATOM 0 HG2 GLU A 60 25.618 26.207 17.432 1.00 20.00 H new ATOM 0 HG3 GLU A 60 26.064 24.572 16.985 1.00 20.00 H new ATOM 349 N SER A 61 21.400 22.579 18.026 1.00 20.00 N ATOM 350 CA SER A 61 20.528 21.820 18.919 1.00 20.00 C ATOM 351 C SER A 61 20.884 20.328 18.888 1.00 20.00 C ATOM 352 O SER A 61 21.006 19.708 19.945 1.00 20.00 O ATOM 353 CB SER A 61 19.074 22.072 18.514 1.00 20.00 C ATOM 354 OG SER A 61 18.172 21.338 19.309 1.00 20.00 O ATOM 0 H SER A 61 20.909 22.995 17.235 1.00 20.00 H new ATOM 0 HA SER A 61 20.667 22.151 19.948 1.00 20.00 H new ATOM 0 HB2 SER A 61 18.852 23.136 18.601 1.00 20.00 H new ATOM 0 HB3 SER A 61 18.937 21.803 17.467 1.00 20.00 H new ATOM 0 HG SER A 61 17.274 21.720 19.222 1.00 20.00 H new ATOM 360 N ALA A 62 21.103 19.773 17.686 1.00 20.00 N ATOM 361 CA ALA A 62 21.581 18.409 17.487 1.00 20.00 C ATOM 362 C ALA A 62 23.036 18.213 17.945 1.00 20.00 C ATOM 363 O ALA A 62 23.408 17.087 18.277 1.00 20.00 O ATOM 364 CB ALA A 62 21.436 18.048 16.006 1.00 20.00 C ATOM 0 H ALA A 62 20.948 20.275 16.812 1.00 20.00 H new ATOM 0 HA ALA A 62 20.974 17.747 18.104 1.00 20.00 H new ATOM 0 HB1 ALA A 62 21.790 17.030 15.843 1.00 20.00 H new ATOM 0 HB2 ALA A 62 20.388 18.118 15.715 1.00 20.00 H new ATOM 0 HB3 ALA A 62 22.027 18.738 15.404 1.00 20.00 H new ATOM 370 N SER A 63 23.843 19.287 17.994 1.00 20.00 N ATOM 371 CA SER A 63 25.227 19.250 18.464 1.00 20.00 C ATOM 372 C SER A 63 25.317 19.016 19.981 1.00 20.00 C ATOM 373 O SER A 63 26.266 18.377 20.440 1.00 20.00 O ATOM 374 CB SER A 63 25.935 20.553 18.071 1.00 20.00 C ATOM 375 OG SER A 63 27.332 20.416 18.215 1.00 20.00 O ATOM 0 H SER A 63 23.541 20.217 17.702 1.00 20.00 H new ATOM 0 HA SER A 63 25.725 18.406 17.986 1.00 20.00 H new ATOM 0 HB2 SER A 63 25.693 20.809 17.040 1.00 20.00 H new ATOM 0 HB3 SER A 63 25.577 21.372 18.695 1.00 20.00 H new ATOM 0 HG SER A 63 27.771 21.254 17.959 1.00 20.00 H new ATOM 381 N CYS A 64 24.316 19.480 20.750 1.00 20.00 N ATOM 382 CA CYS A 64 24.131 19.115 22.152 1.00 20.00 C ATOM 383 C CYS A 64 23.737 17.640 22.261 1.00 20.00 C ATOM 384 O CYS A 64 24.480 16.856 22.853 1.00 20.00 O ATOM 385 CB CYS A 64 23.090 20.032 22.805 1.00 20.00 C ATOM 386 SG CYS A 64 23.637 21.745 23.042 1.00 20.00 S ATOM 0 H CYS A 64 23.608 20.127 20.404 1.00 20.00 H new ATOM 0 HA CYS A 64 25.070 19.249 22.689 1.00 20.00 H new ATOM 0 HB2 CYS A 64 22.190 20.033 22.191 1.00 20.00 H new ATOM 0 HB3 CYS A 64 22.814 19.615 23.774 1.00 20.00 H new ATOM 391 N GLY A 65 22.596 17.262 21.667 1.00 20.00 N ATOM 392 CA GLY A 65 22.110 15.886 21.640 1.00 20.00 C ATOM 393 C GLY A 65 20.588 15.806 21.523 1.00 20.00 C ATOM 394 O GLY A 65 19.893 16.823 21.469 1.00 20.00 O ATOM 0 H GLY A 65 21.980 17.918 21.186 1.00 20.00 H new ATOM 0 HA2 GLY A 65 22.564 15.360 20.800 1.00 20.00 H new ATOM 0 HA3 GLY A 65 22.429 15.373 22.547 1.00 20.00 H new ATOM 398 N LYS A 66 20.071 14.570 21.498 1.00 20.00 N ATOM 399 CA LYS A 66 18.640 14.278 21.582 1.00 20.00 C ATOM 400 C LYS A 66 18.082 14.729 22.937 1.00 20.00 C ATOM 401 O LYS A 66 18.744 14.599 23.968 1.00 20.00 O ATOM 402 CB LYS A 66 18.374 12.784 21.326 1.00 20.00 C ATOM 403 CG LYS A 66 19.106 11.826 22.287 1.00 20.00 C ATOM 404 CD LYS A 66 18.748 10.354 22.033 1.00 20.00 C ATOM 405 CE LYS A 66 17.325 9.983 22.473 1.00 20.00 C ATOM 406 NZ LYS A 66 17.156 10.044 23.939 1.00 20.00 N ATOM 0 H LYS A 66 20.648 13.733 21.417 1.00 20.00 H new ATOM 0 HA LYS A 66 18.121 14.839 20.805 1.00 20.00 H new ATOM 0 HB2 LYS A 66 17.302 12.602 21.400 1.00 20.00 H new ATOM 0 HB3 LYS A 66 18.668 12.546 20.304 1.00 20.00 H new ATOM 0 HG2 LYS A 66 20.182 11.959 22.178 1.00 20.00 H new ATOM 0 HG3 LYS A 66 18.855 12.086 23.315 1.00 20.00 H new ATOM 0 HD2 LYS A 66 18.858 10.140 20.970 1.00 20.00 H new ATOM 0 HD3 LYS A 66 19.460 9.719 22.561 1.00 20.00 H new ATOM 0 HE2 LYS A 66 16.613 10.659 21.999 1.00 20.00 H new ATOM 0 HE3 LYS A 66 17.090 8.977 22.124 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 16.233 9.642 24.199 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 17.913 9.499 24.399 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 17.203 11.034 24.253 1.00 20.00 H new ATOM 420 N GLY A 67 16.858 15.267 22.928 1.00 20.00 N ATOM 421 CA GLY A 67 16.192 15.816 24.105 1.00 20.00 C ATOM 422 C GLY A 67 16.845 17.094 24.651 1.00 20.00 C ATOM 423 O GLY A 67 16.502 17.511 25.755 1.00 20.00 O ATOM 0 H GLY A 67 16.293 15.332 22.081 1.00 20.00 H new ATOM 0 HA2 GLY A 67 15.153 16.029 23.856 1.00 20.00 H new ATOM 0 HA3 GLY A 67 16.183 15.060 24.891 1.00 20.00 H new ATOM 427 N GLN A 68 17.787 17.697 23.912 1.00 20.00 N ATOM 428 CA GLN A 68 18.504 18.910 24.287 1.00 20.00 C ATOM 429 C GLN A 68 18.432 19.941 23.162 1.00 20.00 C ATOM 430 O GLN A 68 18.092 19.628 22.020 1.00 20.00 O ATOM 431 CB GLN A 68 19.980 18.603 24.592 1.00 20.00 C ATOM 432 CG GLN A 68 20.202 17.635 25.756 1.00 20.00 C ATOM 433 CD GLN A 68 21.695 17.509 26.048 1.00 20.00 C ATOM 434 OE1 GLN A 68 22.431 16.876 25.296 1.00 20.00 O ATOM 435 NE2 GLN A 68 22.157 18.125 27.132 1.00 20.00 N ATOM 0 H GLN A 68 18.077 17.334 23.004 1.00 20.00 H new ATOM 0 HA GLN A 68 18.030 19.312 25.183 1.00 20.00 H new ATOM 0 HB2 GLN A 68 20.443 18.187 23.697 1.00 20.00 H new ATOM 0 HB3 GLN A 68 20.494 19.539 24.812 1.00 20.00 H new ATOM 0 HG2 GLN A 68 19.678 17.992 26.643 1.00 20.00 H new ATOM 0 HG3 GLN A 68 19.786 16.657 25.512 1.00 20.00 H new ATOM 0 HE21 GLN A 68 21.518 18.643 27.736 1.00 20.00 H new ATOM 0 HE22 GLN A 68 23.150 18.080 27.360 1.00 20.00 H new ATOM 444 N LYS A 69 18.807 21.174 23.507 1.00 20.00 N ATOM 445 CA LYS A 69 18.958 22.297 22.599 1.00 20.00 C ATOM 446 C LYS A 69 20.110 23.200 23.054 1.00 20.00 C ATOM 447 O LYS A 69 20.669 23.009 24.137 1.00 20.00 O ATOM 448 CB LYS A 69 17.634 23.050 22.536 1.00 20.00 C ATOM 449 CG LYS A 69 17.108 23.433 23.930 1.00 20.00 C ATOM 450 CD LYS A 69 15.999 24.469 23.829 1.00 20.00 C ATOM 451 CE LYS A 69 15.639 24.944 25.234 1.00 20.00 C ATOM 452 NZ LYS A 69 14.828 26.156 25.165 1.00 20.00 N ATOM 0 H LYS A 69 19.022 21.421 24.473 1.00 20.00 H new ATOM 0 HA LYS A 69 19.209 21.945 21.598 1.00 20.00 H new ATOM 0 HB2 LYS A 69 17.761 23.953 21.938 1.00 20.00 H new ATOM 0 HB3 LYS A 69 16.893 22.433 22.028 1.00 20.00 H new ATOM 0 HG2 LYS A 69 16.735 22.544 24.439 1.00 20.00 H new ATOM 0 HG3 LYS A 69 17.925 23.827 24.535 1.00 20.00 H new ATOM 0 HD2 LYS A 69 16.324 25.311 23.218 1.00 20.00 H new ATOM 0 HD3 LYS A 69 15.125 24.039 23.340 1.00 20.00 H new ATOM 0 HE2 LYS A 69 15.093 24.162 25.761 1.00 20.00 H new ATOM 0 HE3 LYS A 69 16.548 25.138 25.804 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 14.275 26.254 26.040 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 15.449 26.983 25.053 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 14.182 26.096 24.352 1.00 20.00 H new ATOM 466 N CYS A 70 20.415 24.215 22.236 1.00 20.00 N ATOM 467 CA CYS A 70 21.385 25.254 22.557 1.00 20.00 C ATOM 468 C CYS A 70 20.675 26.584 22.809 1.00 20.00 C ATOM 469 O CYS A 70 19.896 27.051 21.976 1.00 20.00 O ATOM 470 CB CYS A 70 22.444 25.368 21.462 1.00 20.00 C ATOM 471 SG CYS A 70 23.505 26.827 21.658 1.00 20.00 S ATOM 0 H CYS A 70 19.984 24.334 21.319 1.00 20.00 H new ATOM 0 HA CYS A 70 21.904 24.979 23.475 1.00 20.00 H new ATOM 0 HB2 CYS A 70 23.063 24.471 21.467 1.00 20.00 H new ATOM 0 HB3 CYS A 70 21.952 25.410 20.490 1.00 20.00 H new ATOM 0 HG CYS A 70 24.380 26.859 20.697 1.00 20.00 H new ATOM 476 N CYS A 71 20.987 27.180 23.967 1.00 20.00 N ATOM 477 CA CYS A 71 20.525 28.489 24.403 1.00 20.00 C ATOM 478 C CYS A 71 21.551 29.575 24.041 1.00 20.00 C ATOM 479 O CYS A 71 22.759 29.328 24.010 1.00 20.00 O ATOM 480 CB CYS A 71 20.297 28.408 25.919 1.00 20.00 C ATOM 481 SG CYS A 71 19.783 29.922 26.768 1.00 20.00 S ATOM 0 H CYS A 71 21.598 26.735 24.652 1.00 20.00 H new ATOM 0 HA CYS A 71 19.597 28.762 23.901 1.00 20.00 H new ATOM 0 HB2 CYS A 71 19.542 27.645 26.105 1.00 20.00 H new ATOM 0 HB3 CYS A 71 21.222 28.061 26.380 1.00 20.00 H new