USER MOD reduce.3.24.130724 H: found=0, std=0, add=179, rem=0, adj=4 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= 0.0404 X(o=0.04,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.8!) 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) USER MOD Single : A 61 SER OG : rot 29:sc= 0.401 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0.158 X(o=0.16,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0.552 (180deg=0.525) USER MOD Single : A 70 CYS SG : rot -31:sc= 0.0148 USER MOD ----------------------------------------------------------------- ATOM 116 N GLU A 46 26.223 26.625 26.979 1.00 20.00 N ATOM 117 CA GLU A 46 26.232 25.203 27.311 1.00 20.00 C ATOM 118 C GLU A 46 25.061 24.460 26.645 1.00 20.00 C ATOM 119 O GLU A 46 24.050 25.059 26.272 1.00 20.00 O ATOM 120 CB GLU A 46 26.177 24.997 28.838 1.00 20.00 C ATOM 121 CG GLU A 46 27.493 25.349 29.545 1.00 20.00 C ATOM 122 CD GLU A 46 27.439 25.055 31.051 1.00 20.00 C ATOM 123 OE1 GLU A 46 27.791 25.969 31.832 1.00 20.00 O ATOM 124 OE2 GLU A 46 27.053 23.919 31.411 1.00 20.00 O ATOM 0 HA GLU A 46 27.164 24.788 26.928 1.00 20.00 H new ATOM 0 HB2 GLU A 46 25.375 25.609 29.252 1.00 20.00 H new ATOM 0 HB3 GLU A 46 25.926 23.957 29.049 1.00 20.00 H new ATOM 0 HG2 GLU A 46 28.308 24.782 29.095 1.00 20.00 H new ATOM 0 HG3 GLU A 46 27.715 26.405 29.390 1.00 20.00 H new ATOM 131 N CYS A 47 25.211 23.132 26.533 1.00 20.00 N ATOM 132 CA CYS A 47 24.174 22.206 26.099 1.00 20.00 C ATOM 133 C CYS A 47 23.203 21.958 27.263 1.00 20.00 C ATOM 134 O CYS A 47 23.423 21.087 28.107 1.00 20.00 O ATOM 135 CB CYS A 47 24.818 20.924 25.563 1.00 20.00 C ATOM 136 SG CYS A 47 25.800 21.140 24.054 1.00 20.00 S ATOM 0 H CYS A 47 26.091 22.665 26.751 1.00 20.00 H new ATOM 0 HA CYS A 47 23.593 22.627 25.279 1.00 20.00 H new ATOM 0 HB2 CYS A 47 25.458 20.504 26.339 1.00 20.00 H new ATOM 0 HB3 CYS A 47 24.033 20.194 25.367 1.00 20.00 H new ATOM 141 N ASN A 48 22.131 22.758 27.293 1.00 20.00 N ATOM 142 CA ASN A 48 21.026 22.702 28.240 1.00 20.00 C ATOM 143 C ASN A 48 19.840 21.947 27.616 1.00 20.00 C ATOM 144 O ASN A 48 19.805 21.794 26.395 1.00 20.00 O ATOM 145 CB ASN A 48 20.638 24.146 28.567 1.00 20.00 C ATOM 146 CG ASN A 48 21.595 24.809 29.581 1.00 20.00 C ATOM 147 OD1 ASN A 48 21.388 24.674 30.785 1.00 20.00 O ATOM 148 ND2 ASN A 48 22.649 25.496 29.110 1.00 20.00 N ATOM 0 H ASN A 48 22.010 23.507 26.611 1.00 20.00 H new ATOM 0 HA ASN A 48 21.313 22.172 29.148 1.00 20.00 H new ATOM 0 HB2 ASN A 48 20.628 24.732 27.648 1.00 20.00 H new ATOM 0 HB3 ASN A 48 19.624 24.163 28.967 1.00 20.00 H new ATOM 0 HD21 ASN A 48 23.309 25.926 29.758 1.00 20.00 H new ATOM 0 HD22 ASN A 48 22.790 25.588 28.104 1.00 20.00 H new ATOM 155 N PRO A 49 18.835 21.502 28.406 1.00 20.00 N ATOM 156 CA PRO A 49 17.645 20.847 27.865 1.00 20.00 C ATOM 157 C PRO A 49 16.808 21.825 27.022 1.00 20.00 C ATOM 158 O PRO A 49 16.920 23.045 27.161 1.00 20.00 O ATOM 159 CB PRO A 49 16.866 20.324 29.085 1.00 20.00 C ATOM 160 CG PRO A 49 17.278 21.270 30.218 1.00 20.00 C ATOM 161 CD PRO A 49 18.744 21.571 29.865 1.00 20.00 C ATOM 0 HA PRO A 49 17.904 20.031 27.190 1.00 20.00 H new ATOM 0 HB2 PRO A 49 15.790 20.351 28.913 1.00 20.00 H new ATOM 0 HB3 PRO A 49 17.127 19.290 29.313 1.00 20.00 H new ATOM 0 HG2 PRO A 49 16.669 22.174 30.237 1.00 20.00 H new ATOM 0 HG3 PRO A 49 17.182 20.800 31.197 1.00 20.00 H new ATOM 0 HD2 PRO A 49 19.037 22.556 30.227 1.00 20.00 H new ATOM 0 HD3 PRO A 49 19.413 20.848 30.331 1.00 20.00 H new ATOM 169 N LEU A 50 15.943 21.264 26.162 1.00 20.00 N ATOM 170 CA LEU A 50 15.046 22.001 25.261 1.00 20.00 C ATOM 171 C LEU A 50 14.032 22.853 26.039 1.00 20.00 C ATOM 172 O LEU A 50 13.660 23.939 25.592 1.00 20.00 O ATOM 173 CB LEU A 50 14.307 20.995 24.367 1.00 20.00 C ATOM 174 CG LEU A 50 15.252 20.197 23.446 1.00 20.00 C ATOM 175 CD1 LEU A 50 14.557 18.897 23.045 1.00 20.00 C ATOM 176 CD2 LEU A 50 15.642 21.017 22.208 1.00 20.00 C ATOM 0 H LEU A 50 15.847 20.253 26.073 1.00 20.00 H new ATOM 0 HA LEU A 50 15.645 22.680 24.655 1.00 20.00 H new ATOM 0 HB2 LEU A 50 13.750 20.300 24.995 1.00 20.00 H new ATOM 0 HB3 LEU A 50 13.578 21.528 23.756 1.00 20.00 H new ATOM 0 HG LEU A 50 16.174 19.970 23.981 1.00 20.00 H new ATOM 0 HD11 LEU A 50 15.213 18.320 22.393 1.00 20.00 H new ATOM 0 HD12 LEU A 50 14.330 18.315 23.938 1.00 20.00 H new ATOM 0 HD13 LEU A 50 13.631 19.127 22.517 1.00 20.00 H new ATOM 0 HD21 LEU A 50 16.309 20.429 21.577 1.00 20.00 H new ATOM 0 HD22 LEU A 50 14.745 21.276 21.646 1.00 20.00 H new ATOM 0 HD23 LEU A 50 16.150 21.929 22.521 1.00 20.00 H new ATOM 188 N ASP A 51 13.623 22.358 27.214 1.00 20.00 N ATOM 189 CA ASP A 51 12.717 23.017 28.155 1.00 20.00 C ATOM 190 C ASP A 51 13.304 24.268 28.840 1.00 20.00 C ATOM 191 O ASP A 51 12.562 24.970 29.529 1.00 20.00 O ATOM 192 CB ASP A 51 12.293 21.984 29.212 1.00 20.00 C ATOM 193 CG ASP A 51 11.524 20.817 28.593 1.00 20.00 C ATOM 194 OD1 ASP A 51 12.140 19.797 28.283 1.00 20.00 O ATOM 195 OD2 ASP A 51 10.280 20.993 28.421 1.00 20.00 O ATOM 0 H ASP A 51 13.931 21.444 27.547 1.00 20.00 H new ATOM 0 HA ASP A 51 11.866 23.383 27.581 1.00 20.00 H new ATOM 0 HB2 ASP A 51 13.177 21.605 29.724 1.00 20.00 H new ATOM 0 HB3 ASP A 51 11.672 22.469 29.965 1.00 20.00 H new ATOM 200 N ARG A 52 14.612 24.546 28.687 1.00 20.00 N ATOM 201 CA ARG A 52 15.303 25.628 29.389 1.00 20.00 C ATOM 202 C ARG A 52 14.811 27.015 28.943 1.00 20.00 C ATOM 203 O ARG A 52 14.452 27.220 27.777 1.00 20.00 O ATOM 204 CB ARG A 52 16.823 25.488 29.161 1.00 20.00 C ATOM 205 CG ARG A 52 17.697 26.381 30.058 1.00 20.00 C ATOM 206 CD ARG A 52 17.428 26.074 31.536 1.00 20.00 C ATOM 207 NE ARG A 52 18.581 26.389 32.383 1.00 20.00 N ATOM 208 CZ ARG A 52 18.544 26.576 33.710 1.00 20.00 C ATOM 209 NH1 ARG A 52 17.397 26.550 34.396 1.00 20.00 N ATOM 210 NH2 ARG A 52 19.678 26.791 34.374 1.00 20.00 N ATOM 0 H ARG A 52 15.220 24.015 28.063 1.00 20.00 H new ATOM 0 HA ARG A 52 15.080 25.545 30.453 1.00 20.00 H new ATOM 0 HB2 ARG A 52 17.106 24.448 29.323 1.00 20.00 H new ATOM 0 HB3 ARG A 52 17.042 25.719 28.119 1.00 20.00 H new ATOM 0 HG2 ARG A 52 18.750 26.217 29.831 1.00 20.00 H new ATOM 0 HG3 ARG A 52 17.487 27.431 29.853 1.00 20.00 H new ATOM 0 HD2 ARG A 52 16.564 26.646 31.873 1.00 20.00 H new ATOM 0 HD3 ARG A 52 17.175 25.020 31.647 1.00 20.00 H new ATOM 0 HE ARG A 52 19.488 26.473 31.925 1.00 20.00 H new ATOM 0 HH11 ARG A 52 16.516 26.384 33.910 1.00 20.00 H new ATOM 0 HH12 ARG A 52 17.403 26.696 35.405 1.00 20.00 H new ATOM 0 HH21 ARG A 52 20.566 26.813 33.873 1.00 20.00 H new ATOM 0 HH22 ARG A 52 19.658 26.934 35.384 1.00 20.00 H new ATOM 224 N GLN A 53 14.841 27.966 29.892 1.00 20.00 N ATOM 225 CA GLN A 53 14.551 29.381 29.675 1.00 20.00 C ATOM 226 C GLN A 53 15.779 30.075 29.037 1.00 20.00 C ATOM 227 O GLN A 53 16.528 30.802 29.703 1.00 20.00 O ATOM 228 CB GLN A 53 14.155 30.050 31.018 1.00 20.00 C ATOM 229 CG GLN A 53 12.822 29.561 31.600 1.00 20.00 C ATOM 230 CD GLN A 53 11.613 30.090 30.828 1.00 20.00 C ATOM 231 OE1 GLN A 53 11.405 29.753 29.665 1.00 20.00 O ATOM 232 NE2 GLN A 53 10.790 30.918 31.471 1.00 20.00 N ATOM 0 H GLN A 53 15.077 27.757 30.862 1.00 20.00 H new ATOM 0 HA GLN A 53 13.711 29.483 28.988 1.00 20.00 H new ATOM 0 HB2 GLN A 53 14.944 29.868 31.747 1.00 20.00 H new ATOM 0 HB3 GLN A 53 14.099 31.129 30.870 1.00 20.00 H new ATOM 0 HG2 GLN A 53 12.805 28.471 31.592 1.00 20.00 H new ATOM 0 HG3 GLN A 53 12.748 29.874 32.642 1.00 20.00 H new ATOM 0 HE21 GLN A 53 10.985 31.183 32.437 1.00 20.00 H new ATOM 0 HE22 GLN A 53 9.965 31.287 30.997 1.00 20.00 H new ATOM 241 N CYS A 54 15.967 29.827 27.740 1.00 20.00 N ATOM 242 CA CYS A 54 16.985 30.431 26.894 1.00 20.00 C ATOM 243 C CYS A 54 16.603 30.266 25.415 1.00 20.00 C ATOM 244 O CYS A 54 15.581 29.664 25.097 1.00 20.00 O ATOM 245 CB CYS A 54 18.370 29.802 27.188 1.00 20.00 C ATOM 246 SG CYS A 54 19.777 30.918 27.326 1.00 20.00 S ATOM 0 H CYS A 54 15.381 29.166 27.230 1.00 20.00 H new ATOM 0 HA CYS A 54 17.047 31.497 27.114 1.00 20.00 H new ATOM 0 HB2 CYS A 54 18.294 29.240 28.119 1.00 20.00 H new ATOM 0 HB3 CYS A 54 18.587 29.083 26.398 1.00 20.00 H new ATOM 251 N LYS A 55 17.441 30.776 24.506 1.00 20.00 N ATOM 252 CA LYS A 55 17.316 30.579 23.062 1.00 20.00 C ATOM 253 C LYS A 55 17.533 29.104 22.669 1.00 20.00 C ATOM 254 O LYS A 55 18.034 28.305 23.462 1.00 20.00 O ATOM 255 CB LYS A 55 18.318 31.490 22.317 1.00 20.00 C ATOM 256 CG LYS A 55 17.655 32.596 21.475 1.00 20.00 C ATOM 257 CD LYS A 55 16.799 32.036 20.324 1.00 20.00 C ATOM 258 CE LYS A 55 16.290 33.143 19.398 1.00 20.00 C ATOM 259 NZ LYS A 55 17.334 33.602 18.464 1.00 20.00 N ATOM 0 H LYS A 55 18.244 31.351 24.763 1.00 20.00 H new ATOM 0 HA LYS A 55 16.301 30.849 22.771 1.00 20.00 H new ATOM 0 HB2 LYS A 55 18.984 31.953 23.046 1.00 20.00 H new ATOM 0 HB3 LYS A 55 18.938 30.874 21.665 1.00 20.00 H new ATOM 0 HG2 LYS A 55 17.029 33.212 22.121 1.00 20.00 H new ATOM 0 HG3 LYS A 55 18.427 33.246 21.064 1.00 20.00 H new ATOM 0 HD2 LYS A 55 17.388 31.323 19.747 1.00 20.00 H new ATOM 0 HD3 LYS A 55 15.951 31.489 20.736 1.00 20.00 H new ATOM 0 HE2 LYS A 55 15.432 32.778 18.833 1.00 20.00 H new ATOM 0 HE3 LYS A 55 15.942 33.985 19.996 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 16.949 34.352 17.854 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 18.142 33.974 19.002 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 17.648 32.804 17.875 1.00 20.00 H new ATOM 273 N GLU A 56 17.190 28.781 21.414 1.00 20.00 N ATOM 274 CA GLU A 56 17.349 27.479 20.762 1.00 20.00 C ATOM 275 C GLU A 56 17.906 27.689 19.359 1.00 20.00 C ATOM 276 O GLU A 56 17.681 28.717 18.717 1.00 20.00 O ATOM 277 CB GLU A 56 15.994 26.747 20.780 1.00 20.00 C ATOM 278 CG GLU A 56 16.036 25.333 20.184 1.00 20.00 C ATOM 279 CD GLU A 56 14.719 24.568 20.336 1.00 20.00 C ATOM 280 OE1 GLU A 56 14.255 24.412 21.487 1.00 20.00 O ATOM 281 OE2 GLU A 56 14.191 24.133 19.290 1.00 20.00 O ATOM 0 H GLU A 56 16.767 29.468 20.790 1.00 20.00 H new ATOM 0 HA GLU A 56 18.062 26.848 21.293 1.00 20.00 H new ATOM 0 HB2 GLU A 56 15.641 26.685 21.809 1.00 20.00 H new ATOM 0 HB3 GLU A 56 15.265 27.341 20.228 1.00 20.00 H new ATOM 0 HG2 GLU A 56 16.288 25.401 19.126 1.00 20.00 H new ATOM 0 HG3 GLU A 56 16.833 24.767 20.666 1.00 20.00 H new ATOM 288 N LEU A 57 18.629 26.674 18.881 1.00 20.00 N ATOM 289 CA LEU A 57 19.216 26.634 17.546 1.00 20.00 C ATOM 290 C LEU A 57 18.808 25.314 16.851 1.00 20.00 C ATOM 291 O LEU A 57 18.121 24.479 17.451 1.00 20.00 O ATOM 292 CB LEU A 57 20.751 26.796 17.638 1.00 20.00 C ATOM 293 CG LEU A 57 21.171 28.214 18.098 1.00 20.00 C ATOM 294 CD1 LEU A 57 22.677 28.360 18.326 1.00 20.00 C ATOM 295 CD2 LEU A 57 20.722 29.320 17.122 1.00 20.00 C ATOM 0 H LEU A 57 18.826 25.836 19.429 1.00 20.00 H new ATOM 0 HA LEU A 57 18.841 27.461 16.943 1.00 20.00 H new ATOM 0 HB2 LEU A 57 21.150 26.059 18.335 1.00 20.00 H new ATOM 0 HB3 LEU A 57 21.194 26.587 16.664 1.00 20.00 H new ATOM 0 HG LEU A 57 20.656 28.339 19.051 1.00 20.00 H new ATOM 0 HD11 LEU A 57 22.899 29.378 18.646 1.00 20.00 H new ATOM 0 HD12 LEU A 57 22.998 27.659 19.096 1.00 20.00 H new ATOM 0 HD13 LEU A 57 23.208 28.148 17.398 1.00 20.00 H new ATOM 0 HD21 LEU A 57 21.045 30.291 17.498 1.00 20.00 H new ATOM 0 HD22 LEU A 57 21.167 29.144 16.143 1.00 20.00 H new ATOM 0 HD23 LEU A 57 19.636 29.308 17.034 1.00 20.00 H new ATOM 307 N GLN A 58 19.266 25.119 15.600 1.00 20.00 N ATOM 308 CA GLN A 58 18.972 23.940 14.779 1.00 20.00 C ATOM 309 C GLN A 58 20.255 23.193 14.394 1.00 20.00 C ATOM 310 O GLN A 58 20.310 21.965 14.494 1.00 20.00 O ATOM 311 CB GLN A 58 18.103 24.370 13.572 1.00 20.00 C ATOM 312 CG GLN A 58 18.698 25.443 12.629 1.00 20.00 C ATOM 313 CD GLN A 58 17.764 25.715 11.461 1.00 20.00 C ATOM 314 OE1 GLN A 58 16.864 26.543 11.565 1.00 20.00 O ATOM 315 NE2 GLN A 58 17.956 25.010 10.351 1.00 20.00 N ATOM 0 H GLN A 58 19.864 25.795 15.126 1.00 20.00 H new ATOM 0 HA GLN A 58 18.393 23.216 15.352 1.00 20.00 H new ATOM 0 HB2 GLN A 58 17.882 23.482 12.979 1.00 20.00 H new ATOM 0 HB3 GLN A 58 17.153 24.743 13.954 1.00 20.00 H new ATOM 0 HG2 GLN A 58 18.871 26.365 13.184 1.00 20.00 H new ATOM 0 HG3 GLN A 58 19.666 25.109 12.256 1.00 20.00 H new ATOM 0 HE21 GLN A 58 18.715 24.331 10.303 1.00 20.00 H new ATOM 0 HE22 GLN A 58 17.344 25.148 9.547 1.00 20.00 H new ATOM 324 N ALA A 59 21.295 23.918 13.955 1.00 20.00 N ATOM 325 CA ALA A 59 22.609 23.329 13.654 1.00 20.00 C ATOM 326 C ALA A 59 23.405 23.049 14.940 1.00 20.00 C ATOM 327 O ALA A 59 24.065 22.010 15.032 1.00 20.00 O ATOM 328 CB ALA A 59 23.376 24.275 12.726 1.00 20.00 C ATOM 0 H ALA A 59 21.250 24.925 13.799 1.00 20.00 H new ATOM 0 HA ALA A 59 22.465 22.370 13.156 1.00 20.00 H new ATOM 0 HB1 ALA A 59 24.352 23.847 12.497 1.00 20.00 H new ATOM 0 HB2 ALA A 59 22.814 24.413 11.802 1.00 20.00 H new ATOM 0 HB3 ALA A 59 23.509 25.239 13.218 1.00 20.00 H new ATOM 334 N GLU A 60 23.337 23.956 15.930 1.00 20.00 N ATOM 335 CA GLU A 60 24.111 23.831 17.169 1.00 20.00 C ATOM 336 C GLU A 60 23.372 22.978 18.216 1.00 20.00 C ATOM 337 O GLU A 60 24.008 22.445 19.129 1.00 20.00 O ATOM 338 CB GLU A 60 24.352 25.236 17.751 1.00 20.00 C ATOM 339 CG GLU A 60 25.365 26.127 17.010 1.00 20.00 C ATOM 340 CD GLU A 60 25.009 26.436 15.550 1.00 20.00 C ATOM 341 OE1 GLU A 60 25.877 26.177 14.690 1.00 20.00 O ATOM 342 OE2 GLU A 60 23.904 26.961 15.292 1.00 20.00 O ATOM 0 H GLU A 60 22.748 24.788 15.891 1.00 20.00 H new ATOM 0 HA GLU A 60 25.055 23.339 16.933 1.00 20.00 H new ATOM 0 HB2 GLU A 60 23.397 25.760 17.782 1.00 20.00 H new ATOM 0 HB3 GLU A 60 24.688 25.124 18.782 1.00 20.00 H new ATOM 0 HG2 GLU A 60 25.463 27.068 17.551 1.00 20.00 H new ATOM 0 HG3 GLU A 60 26.340 25.641 17.036 1.00 20.00 H new ATOM 349 N SER A 61 22.040 22.851 18.091 1.00 20.00 N ATOM 350 CA SER A 61 21.243 21.933 18.897 1.00 20.00 C ATOM 351 C SER A 61 21.537 20.474 18.512 1.00 20.00 C ATOM 352 O SER A 61 21.644 19.611 19.386 1.00 20.00 O ATOM 353 CB SER A 61 19.765 22.273 18.695 1.00 20.00 C ATOM 354 OG SER A 61 18.912 21.410 19.417 1.00 20.00 O ATOM 0 H SER A 61 21.490 23.389 17.421 1.00 20.00 H new ATOM 0 HA SER A 61 21.500 22.043 19.950 1.00 20.00 H new ATOM 0 HB2 SER A 61 19.585 23.302 19.007 1.00 20.00 H new ATOM 0 HB3 SER A 61 19.523 22.215 17.634 1.00 20.00 H new ATOM 0 HG SER A 61 19.377 21.084 20.216 1.00 20.00 H new ATOM 360 N ALA A 62 21.731 20.205 17.210 1.00 20.00 N ATOM 361 CA ALA A 62 22.218 18.920 16.716 1.00 20.00 C ATOM 362 C ALA A 62 23.682 18.658 17.100 1.00 20.00 C ATOM 363 O ALA A 62 24.061 17.500 17.259 1.00 20.00 O ATOM 364 CB ALA A 62 22.042 18.884 15.202 1.00 20.00 C ATOM 0 H ALA A 62 21.551 20.884 16.470 1.00 20.00 H new ATOM 0 HA ALA A 62 21.635 18.127 17.184 1.00 20.00 H new ATOM 0 HB1 ALA A 62 22.401 17.930 14.817 1.00 20.00 H new ATOM 0 HB2 ALA A 62 20.987 19.001 14.956 1.00 20.00 H new ATOM 0 HB3 ALA A 62 22.612 19.696 14.750 1.00 20.00 H new ATOM 370 N SER A 63 24.498 19.708 17.289 1.00 20.00 N ATOM 371 CA SER A 63 25.870 19.578 17.794 1.00 20.00 C ATOM 372 C SER A 63 25.896 19.164 19.272 1.00 20.00 C ATOM 373 O SER A 63 26.770 18.388 19.663 1.00 20.00 O ATOM 374 CB SER A 63 26.639 20.888 17.572 1.00 20.00 C ATOM 375 OG SER A 63 28.006 20.729 17.917 1.00 20.00 O ATOM 0 H SER A 63 24.222 20.671 17.095 1.00 20.00 H new ATOM 0 HA SER A 63 26.363 18.783 17.234 1.00 20.00 H new ATOM 0 HB2 SER A 63 26.555 21.193 16.529 1.00 20.00 H new ATOM 0 HB3 SER A 63 26.197 21.682 18.173 1.00 20.00 H new ATOM 0 HG SER A 63 28.481 21.573 17.768 1.00 20.00 H new ATOM 381 N CYS A 64 24.916 19.633 20.067 1.00 20.00 N ATOM 382 CA CYS A 64 24.668 19.166 21.428 1.00 20.00 C ATOM 383 C CYS A 64 24.121 17.724 21.494 1.00 20.00 C ATOM 384 O CYS A 64 24.031 17.145 22.580 1.00 20.00 O ATOM 385 CB CYS A 64 23.701 20.126 22.133 1.00 20.00 C ATOM 386 SG CYS A 64 24.437 21.694 22.644 1.00 20.00 S ATOM 0 H CYS A 64 24.267 20.361 19.768 1.00 20.00 H new ATOM 0 HA CYS A 64 25.632 19.152 21.937 1.00 20.00 H new ATOM 0 HB2 CYS A 64 22.864 20.333 21.466 1.00 20.00 H new ATOM 0 HB3 CYS A 64 23.292 19.628 23.012 1.00 20.00 H new ATOM 391 N GLY A 65 23.769 17.141 20.339 1.00 20.00 N ATOM 392 CA GLY A 65 23.334 15.753 20.188 1.00 20.00 C ATOM 393 C GLY A 65 21.818 15.669 20.076 1.00 20.00 C ATOM 394 O GLY A 65 21.249 16.139 19.092 1.00 20.00 O ATOM 0 H GLY A 65 23.781 17.646 19.453 1.00 20.00 H new ATOM 0 HA2 GLY A 65 23.793 15.318 19.300 1.00 20.00 H new ATOM 0 HA3 GLY A 65 23.673 15.166 21.042 1.00 20.00 H new ATOM 398 N LYS A 66 21.196 15.064 21.096 1.00 20.00 N ATOM 399 CA LYS A 66 19.761 14.833 21.218 1.00 20.00 C ATOM 400 C LYS A 66 19.283 15.229 22.614 1.00 20.00 C ATOM 401 O LYS A 66 19.999 15.032 23.597 1.00 20.00 O ATOM 402 CB LYS A 66 19.447 13.352 20.942 1.00 20.00 C ATOM 403 CG LYS A 66 19.767 12.931 19.506 1.00 20.00 C ATOM 404 CD LYS A 66 19.408 11.464 19.263 1.00 20.00 C ATOM 405 CE LYS A 66 19.828 11.060 17.845 1.00 20.00 C ATOM 406 NZ LYS A 66 19.541 9.640 17.566 1.00 20.00 N ATOM 0 H LYS A 66 21.713 14.705 21.899 1.00 20.00 H new ATOM 0 HA LYS A 66 19.236 15.446 20.486 1.00 20.00 H new ATOM 0 HB2 LYS A 66 20.017 12.731 21.633 1.00 20.00 H new ATOM 0 HB3 LYS A 66 18.392 13.166 21.143 1.00 20.00 H new ATOM 0 HG2 LYS A 66 19.217 13.562 18.809 1.00 20.00 H new ATOM 0 HG3 LYS A 66 20.828 13.086 19.307 1.00 20.00 H new ATOM 0 HD2 LYS A 66 19.908 10.831 19.996 1.00 20.00 H new ATOM 0 HD3 LYS A 66 18.336 11.315 19.392 1.00 20.00 H new ATOM 0 HE2 LYS A 66 19.305 11.684 17.121 1.00 20.00 H new ATOM 0 HE3 LYS A 66 20.894 11.246 17.716 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 19.840 9.409 16.597 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 20.060 9.042 18.240 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 18.520 9.466 17.663 1.00 20.00 H new ATOM 420 N GLY A 67 18.053 15.757 22.692 1.00 20.00 N ATOM 421 CA GLY A 67 17.413 16.210 23.927 1.00 20.00 C ATOM 422 C GLY A 67 17.973 17.523 24.504 1.00 20.00 C ATOM 423 O GLY A 67 17.504 17.949 25.561 1.00 20.00 O ATOM 0 H GLY A 67 17.462 15.883 21.870 1.00 20.00 H new ATOM 0 HA2 GLY A 67 16.347 16.338 23.741 1.00 20.00 H new ATOM 0 HA3 GLY A 67 17.514 15.428 24.679 1.00 20.00 H new ATOM 427 N GLN A 68 18.952 18.147 23.828 1.00 20.00 N ATOM 428 CA GLN A 68 19.640 19.359 24.272 1.00 20.00 C ATOM 429 C GLN A 68 19.698 20.386 23.138 1.00 20.00 C ATOM 430 O GLN A 68 19.620 20.032 21.962 1.00 20.00 O ATOM 431 CB GLN A 68 21.073 19.022 24.725 1.00 20.00 C ATOM 432 CG GLN A 68 21.160 18.063 25.919 1.00 20.00 C ATOM 433 CD GLN A 68 22.609 17.828 26.355 1.00 20.00 C ATOM 434 OE1 GLN A 68 22.985 18.145 27.479 1.00 20.00 O ATOM 435 NE2 GLN A 68 23.441 17.257 25.486 1.00 20.00 N ATOM 0 H GLN A 68 19.293 17.806 22.929 1.00 20.00 H new ATOM 0 HA GLN A 68 19.084 19.780 25.110 1.00 20.00 H new ATOM 0 HB2 GLN A 68 21.611 18.584 23.885 1.00 20.00 H new ATOM 0 HB3 GLN A 68 21.585 19.949 24.983 1.00 20.00 H new ATOM 0 HG2 GLN A 68 20.590 18.470 26.754 1.00 20.00 H new ATOM 0 HG3 GLN A 68 20.701 17.110 25.654 1.00 20.00 H new ATOM 0 HE21 GLN A 68 23.110 17.000 24.556 1.00 20.00 H new ATOM 0 HE22 GLN A 68 24.409 17.076 25.750 1.00 20.00 H new ATOM 444 N LYS A 69 19.910 21.656 23.504 1.00 20.00 N ATOM 445 CA LYS A 69 20.060 22.797 22.613 1.00 20.00 C ATOM 446 C LYS A 69 21.189 23.725 23.074 1.00 20.00 C ATOM 447 O LYS A 69 21.684 23.612 24.196 1.00 20.00 O ATOM 448 CB LYS A 69 18.724 23.555 22.520 1.00 20.00 C ATOM 449 CG LYS A 69 18.182 23.939 23.909 1.00 20.00 C ATOM 450 CD LYS A 69 17.060 24.961 23.789 1.00 20.00 C ATOM 451 CE LYS A 69 16.586 25.384 25.182 1.00 20.00 C ATOM 452 NZ LYS A 69 15.767 26.601 25.112 1.00 20.00 N ATOM 0 H LYS A 69 19.984 21.922 24.486 1.00 20.00 H new ATOM 0 HA LYS A 69 20.332 22.432 21.623 1.00 20.00 H new ATOM 0 HB2 LYS A 69 18.859 24.456 21.922 1.00 20.00 H new ATOM 0 HB3 LYS A 69 17.991 22.936 22.003 1.00 20.00 H new ATOM 0 HG2 LYS A 69 17.816 23.049 24.420 1.00 20.00 H new ATOM 0 HG3 LYS A 69 18.988 24.347 24.519 1.00 20.00 H new ATOM 0 HD2 LYS A 69 17.408 25.832 23.234 1.00 20.00 H new ATOM 0 HD3 LYS A 69 16.229 24.536 23.226 1.00 20.00 H new ATOM 0 HE2 LYS A 69 16.008 24.578 25.634 1.00 20.00 H new ATOM 0 HE3 LYS A 69 17.448 25.558 25.826 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 15.375 26.810 26.052 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 16.356 27.398 24.798 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 14.989 26.458 24.436 1.00 20.00 H new ATOM 466 N CYS A 70 21.542 24.672 22.196 1.00 20.00 N ATOM 467 CA CYS A 70 22.577 25.674 22.417 1.00 20.00 C ATOM 468 C CYS A 70 21.919 27.056 22.460 1.00 20.00 C ATOM 469 O CYS A 70 21.288 27.469 21.486 1.00 20.00 O ATOM 470 CB CYS A 70 23.595 25.596 21.276 1.00 20.00 C ATOM 471 SG CYS A 70 25.009 26.724 21.418 1.00 20.00 S ATOM 0 H CYS A 70 21.096 24.760 21.283 1.00 20.00 H new ATOM 0 HA CYS A 70 23.093 25.496 23.361 1.00 20.00 H new ATOM 0 HB2 CYS A 70 23.971 24.575 21.216 1.00 20.00 H new ATOM 0 HB3 CYS A 70 23.080 25.802 20.337 1.00 20.00 H new ATOM 0 HG CYS A 70 24.639 27.808 22.033 1.00 20.00 H new ATOM 476 N CYS A 71 22.061 27.765 23.587 1.00 20.00 N ATOM 477 CA CYS A 71 21.645 29.165 23.697 1.00 20.00 C ATOM 478 C CYS A 71 22.714 30.090 23.099 1.00 20.00 C ATOM 479 O CYS A 71 23.901 29.757 23.096 1.00 20.00 O ATOM 480 CB CYS A 71 21.393 29.498 25.169 1.00 20.00 C ATOM 481 SG CYS A 71 20.538 31.073 25.445 1.00 20.00 S ATOM 0 H CYS A 71 22.465 27.385 24.443 1.00 20.00 H new ATOM 0 HA CYS A 71 20.724 29.318 23.135 1.00 20.00 H new ATOM 0 HB2 CYS A 71 20.804 28.696 25.615 1.00 20.00 H new ATOM 0 HB3 CYS A 71 22.349 29.521 25.693 1.00 20.00 H new