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= 0.0237 X(o=0.024,f=0) 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) USER MOD Single : A 61 SER OG : rot 141:sc= 0.679 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= -0.327 X(o=-0.33,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -149:sc= -0.568 (180deg=-1.07) USER MOD Single : A 70 CYS SG : rot -162:sc= 0.771 USER MOD ----------------------------------------------------------------- ATOM 116 N GLU A 46 25.872 25.989 25.871 1.00 20.00 N ATOM 117 CA GLU A 46 25.750 24.784 26.691 1.00 20.00 C ATOM 118 C GLU A 46 24.589 23.912 26.214 1.00 20.00 C ATOM 119 O GLU A 46 23.542 24.412 25.795 1.00 20.00 O ATOM 120 CB GLU A 46 25.553 25.149 28.172 1.00 20.00 C ATOM 121 CG GLU A 46 26.848 25.653 28.826 1.00 20.00 C ATOM 122 CD GLU A 46 26.671 25.918 30.323 1.00 20.00 C ATOM 123 OE1 GLU A 46 26.385 24.946 31.057 1.00 20.00 O ATOM 124 OE2 GLU A 46 26.832 27.090 30.728 1.00 20.00 O ATOM 0 HA GLU A 46 26.676 24.219 26.587 1.00 20.00 H new ATOM 0 HB2 GLU A 46 24.784 25.917 28.255 1.00 20.00 H new ATOM 0 HB3 GLU A 46 25.191 24.275 28.714 1.00 20.00 H new ATOM 0 HG2 GLU A 46 27.638 24.917 28.679 1.00 20.00 H new ATOM 0 HG3 GLU A 46 27.171 26.569 28.332 1.00 20.00 H new ATOM 131 N CYS A 47 24.779 22.593 26.348 1.00 20.00 N ATOM 132 CA CYS A 47 23.733 21.593 26.205 1.00 20.00 C ATOM 133 C CYS A 47 22.775 21.665 27.402 1.00 20.00 C ATOM 134 O CYS A 47 23.193 21.830 28.551 1.00 20.00 O ATOM 135 CB CYS A 47 24.360 20.198 26.083 1.00 20.00 C ATOM 136 SG CYS A 47 25.255 19.927 24.531 1.00 20.00 S ATOM 0 H CYS A 47 25.691 22.190 26.564 1.00 20.00 H new ATOM 0 HA CYS A 47 23.161 21.791 25.298 1.00 20.00 H new ATOM 0 HB2 CYS A 47 25.045 20.044 26.917 1.00 20.00 H new ATOM 0 HB3 CYS A 47 23.574 19.448 26.173 1.00 20.00 H new ATOM 141 N ASN A 48 21.481 21.531 27.100 1.00 20.00 N ATOM 142 CA ASN A 48 20.343 21.606 28.009 1.00 20.00 C ATOM 143 C ASN A 48 19.269 20.584 27.580 1.00 20.00 C ATOM 144 O ASN A 48 19.293 20.115 26.439 1.00 20.00 O ATOM 145 CB ASN A 48 19.793 23.047 27.967 1.00 20.00 C ATOM 146 CG ASN A 48 20.620 23.983 28.840 1.00 20.00 C ATOM 147 OD1 ASN A 48 20.403 24.064 30.046 1.00 20.00 O ATOM 148 ND2 ASN A 48 21.585 24.689 28.256 1.00 20.00 N ATOM 0 H ASN A 48 21.183 21.354 26.141 1.00 20.00 H new ATOM 0 HA ASN A 48 20.642 21.364 29.029 1.00 20.00 H new ATOM 0 HB2 ASN A 48 19.795 23.409 26.939 1.00 20.00 H new ATOM 0 HB3 ASN A 48 18.757 23.053 28.305 1.00 20.00 H new ATOM 0 HD21 ASN A 48 22.166 25.316 28.812 1.00 20.00 H new ATOM 0 HD22 ASN A 48 21.744 24.603 27.252 1.00 20.00 H new ATOM 155 N PRO A 49 18.296 20.246 28.453 1.00 20.00 N ATOM 156 CA PRO A 49 17.186 19.372 28.085 1.00 20.00 C ATOM 157 C PRO A 49 16.235 20.063 27.098 1.00 20.00 C ATOM 158 O PRO A 49 16.227 21.289 26.977 1.00 20.00 O ATOM 159 CB PRO A 49 16.492 19.022 29.408 1.00 20.00 C ATOM 160 CG PRO A 49 16.798 20.218 30.305 1.00 20.00 C ATOM 161 CD PRO A 49 18.193 20.644 29.852 1.00 20.00 C ATOM 0 HA PRO A 49 17.527 18.474 27.569 1.00 20.00 H new ATOM 0 HB2 PRO A 49 15.419 18.887 29.274 1.00 20.00 H new ATOM 0 HB3 PRO A 49 16.880 18.095 29.831 1.00 20.00 H new ATOM 0 HG2 PRO A 49 16.070 21.018 30.172 1.00 20.00 H new ATOM 0 HG3 PRO A 49 16.783 19.945 31.360 1.00 20.00 H new ATOM 0 HD2 PRO A 49 18.329 21.720 29.963 1.00 20.00 H new ATOM 0 HD3 PRO A 49 18.964 20.162 30.453 1.00 20.00 H new ATOM 169 N LEU A 50 15.407 19.257 26.421 1.00 20.00 N ATOM 170 CA LEU A 50 14.333 19.712 25.536 1.00 20.00 C ATOM 171 C LEU A 50 13.303 20.544 26.314 1.00 20.00 C ATOM 172 O LEU A 50 12.756 21.512 25.788 1.00 20.00 O ATOM 173 CB LEU A 50 13.636 18.490 24.924 1.00 20.00 C ATOM 174 CG LEU A 50 14.553 17.551 24.109 1.00 20.00 C ATOM 175 CD1 LEU A 50 13.853 16.199 23.944 1.00 20.00 C ATOM 176 CD2 LEU A 50 14.906 18.126 22.730 1.00 20.00 C ATOM 0 H LEU A 50 15.470 18.241 26.477 1.00 20.00 H new ATOM 0 HA LEU A 50 14.764 20.335 24.752 1.00 20.00 H new ATOM 0 HB2 LEU A 50 13.175 17.915 25.727 1.00 20.00 H new ATOM 0 HB3 LEU A 50 12.830 18.837 24.277 1.00 20.00 H new ATOM 0 HG LEU A 50 15.490 17.437 24.655 1.00 20.00 H new ATOM 0 HD11 LEU A 50 14.491 15.527 23.370 1.00 20.00 H new ATOM 0 HD12 LEU A 50 13.661 15.767 24.926 1.00 20.00 H new ATOM 0 HD13 LEU A 50 12.908 16.340 23.419 1.00 20.00 H new ATOM 0 HD21 LEU A 50 15.552 17.427 22.199 1.00 20.00 H new ATOM 0 HD22 LEU A 50 13.992 18.283 22.157 1.00 20.00 H new ATOM 0 HD23 LEU A 50 15.425 19.077 22.854 1.00 20.00 H new ATOM 188 N ASP A 51 13.079 20.166 27.579 1.00 20.00 N ATOM 189 CA ASP A 51 12.176 20.775 28.545 1.00 20.00 C ATOM 190 C ASP A 51 12.801 22.030 29.191 1.00 20.00 C ATOM 191 O ASP A 51 12.876 22.131 30.416 1.00 20.00 O ATOM 192 CB ASP A 51 11.809 19.712 29.598 1.00 20.00 C ATOM 193 CG ASP A 51 11.250 18.437 28.965 1.00 20.00 C ATOM 194 OD1 ASP A 51 10.057 18.455 28.591 1.00 20.00 O ATOM 195 OD2 ASP A 51 12.031 17.464 28.847 1.00 20.00 O ATOM 0 H ASP A 51 13.566 19.363 27.978 1.00 20.00 H new ATOM 0 HA ASP A 51 11.271 21.115 28.041 1.00 20.00 H new ATOM 0 HB2 ASP A 51 12.693 19.466 30.186 1.00 20.00 H new ATOM 0 HB3 ASP A 51 11.073 20.126 30.287 1.00 20.00 H new ATOM 200 N ARG A 52 13.250 22.999 28.377 1.00 20.00 N ATOM 201 CA ARG A 52 13.865 24.243 28.831 1.00 20.00 C ATOM 202 C ARG A 52 13.327 25.464 28.078 1.00 20.00 C ATOM 203 O ARG A 52 12.873 25.350 26.940 1.00 20.00 O ATOM 204 CB ARG A 52 15.386 24.129 28.687 1.00 20.00 C ATOM 205 CG ARG A 52 16.121 25.024 29.695 1.00 20.00 C ATOM 206 CD ARG A 52 15.861 24.581 31.146 1.00 20.00 C ATOM 207 NE ARG A 52 14.804 25.350 31.827 1.00 20.00 N ATOM 208 CZ ARG A 52 14.655 25.479 33.154 1.00 20.00 C ATOM 209 NH1 ARG A 52 15.475 24.881 34.020 1.00 20.00 N ATOM 210 NH2 ARG A 52 13.658 26.221 33.632 1.00 20.00 N ATOM 0 H ARG A 52 13.191 22.931 27.361 1.00 20.00 H new ATOM 0 HA ARG A 52 13.607 24.394 29.879 1.00 20.00 H new ATOM 0 HB2 ARG A 52 15.689 23.092 28.833 1.00 20.00 H new ATOM 0 HB3 ARG A 52 15.677 24.406 27.674 1.00 20.00 H new ATOM 0 HG2 ARG A 52 17.192 24.997 29.493 1.00 20.00 H new ATOM 0 HG3 ARG A 52 15.799 26.057 29.567 1.00 20.00 H new ATOM 0 HD2 ARG A 52 15.588 23.526 31.150 1.00 20.00 H new ATOM 0 HD3 ARG A 52 16.786 24.673 31.714 1.00 20.00 H new ATOM 0 HE ARG A 52 14.124 25.828 31.236 1.00 20.00 H new ATOM 0 HH11 ARG A 52 16.244 24.304 33.679 1.00 20.00 H new ATOM 0 HH12 ARG A 52 15.333 25.001 35.023 1.00 20.00 H new ATOM 0 HH21 ARG A 52 13.015 26.686 32.991 1.00 20.00 H new ATOM 0 HH22 ARG A 52 13.537 26.325 34.639 1.00 20.00 H new ATOM 224 N GLN A 53 13.455 26.645 28.699 1.00 20.00 N ATOM 225 CA GLN A 53 13.102 27.949 28.140 1.00 20.00 C ATOM 226 C GLN A 53 14.195 28.588 27.266 1.00 20.00 C ATOM 227 O GLN A 53 14.065 29.748 26.873 1.00 20.00 O ATOM 228 CB GLN A 53 12.616 28.895 29.257 1.00 20.00 C ATOM 229 CG GLN A 53 13.670 29.177 30.341 1.00 20.00 C ATOM 230 CD GLN A 53 13.205 30.248 31.330 1.00 20.00 C ATOM 231 OE1 GLN A 53 13.824 31.302 31.449 1.00 20.00 O ATOM 232 NE2 GLN A 53 12.116 29.990 32.052 1.00 20.00 N ATOM 0 H GLN A 53 13.824 26.716 29.647 1.00 20.00 H new ATOM 0 HA GLN A 53 12.281 27.773 27.445 1.00 20.00 H new ATOM 0 HB2 GLN A 53 12.308 29.840 28.810 1.00 20.00 H new ATOM 0 HB3 GLN A 53 11.733 28.462 29.727 1.00 20.00 H new ATOM 0 HG2 GLN A 53 13.890 28.256 30.881 1.00 20.00 H new ATOM 0 HG3 GLN A 53 14.598 29.499 29.869 1.00 20.00 H new ATOM 0 HE21 GLN A 53 11.622 29.106 31.932 1.00 20.00 H new ATOM 0 HE22 GLN A 53 11.776 30.677 32.725 1.00 20.00 H new ATOM 241 N CYS A 54 15.260 27.841 26.951 1.00 20.00 N ATOM 242 CA CYS A 54 16.280 28.236 25.985 1.00 20.00 C ATOM 243 C CYS A 54 15.740 28.233 24.549 1.00 20.00 C ATOM 244 O CYS A 54 14.762 27.555 24.232 1.00 20.00 O ATOM 245 CB CYS A 54 17.469 27.281 26.084 1.00 20.00 C ATOM 246 SG CYS A 54 18.609 27.588 27.451 1.00 20.00 S ATOM 0 H CYS A 54 15.436 26.928 27.371 1.00 20.00 H new ATOM 0 HA CYS A 54 16.590 29.254 26.222 1.00 20.00 H new ATOM 0 HB2 CYS A 54 17.088 26.264 26.175 1.00 20.00 H new ATOM 0 HB3 CYS A 54 18.029 27.330 25.150 1.00 20.00 H new ATOM 251 N LYS A 55 16.450 28.955 23.676 1.00 20.00 N ATOM 252 CA LYS A 55 16.213 29.033 22.239 1.00 20.00 C ATOM 253 C LYS A 55 16.888 27.835 21.560 1.00 20.00 C ATOM 254 O LYS A 55 18.105 27.814 21.382 1.00 20.00 O ATOM 255 CB LYS A 55 16.716 30.387 21.709 1.00 20.00 C ATOM 256 CG LYS A 55 16.295 30.643 20.254 1.00 20.00 C ATOM 257 CD LYS A 55 16.857 31.988 19.763 1.00 20.00 C ATOM 258 CE LYS A 55 16.437 32.319 18.329 1.00 20.00 C ATOM 259 NZ LYS A 55 15.019 32.704 18.236 1.00 20.00 N ATOM 0 H LYS A 55 17.242 29.526 23.971 1.00 20.00 H new ATOM 0 HA LYS A 55 15.148 28.981 22.012 1.00 20.00 H new ATOM 0 HB2 LYS A 55 16.331 31.187 22.341 1.00 20.00 H new ATOM 0 HB3 LYS A 55 17.803 30.420 21.780 1.00 20.00 H new ATOM 0 HG2 LYS A 55 16.656 29.836 19.617 1.00 20.00 H new ATOM 0 HG3 LYS A 55 15.208 30.646 20.178 1.00 20.00 H new ATOM 0 HD2 LYS A 55 16.519 32.782 20.428 1.00 20.00 H new ATOM 0 HD3 LYS A 55 17.945 31.965 19.822 1.00 20.00 H new ATOM 0 HE2 LYS A 55 17.057 33.131 17.950 1.00 20.00 H new ATOM 0 HE3 LYS A 55 16.619 31.454 17.691 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 14.782 32.919 17.246 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 14.424 31.920 18.573 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 14.848 33.545 18.823 1.00 20.00 H new ATOM 273 N GLU A 56 16.079 26.822 21.229 1.00 20.00 N ATOM 274 CA GLU A 56 16.490 25.575 20.595 1.00 20.00 C ATOM 275 C GLU A 56 17.006 25.825 19.169 1.00 20.00 C ATOM 276 O GLU A 56 16.264 26.300 18.309 1.00 20.00 O ATOM 277 CB GLU A 56 15.290 24.612 20.619 1.00 20.00 C ATOM 278 CG GLU A 56 15.607 23.244 20.004 1.00 20.00 C ATOM 279 CD GLU A 56 14.430 22.280 20.143 1.00 20.00 C ATOM 280 OE1 GLU A 56 13.400 22.533 19.477 1.00 20.00 O ATOM 281 OE2 GLU A 56 14.569 21.302 20.909 1.00 20.00 O ATOM 0 H GLU A 56 15.075 26.856 21.406 1.00 20.00 H new ATOM 0 HA GLU A 56 17.320 25.127 21.141 1.00 20.00 H new ATOM 0 HB2 GLU A 56 14.963 24.474 21.649 1.00 20.00 H new ATOM 0 HB3 GLU A 56 14.458 25.063 20.078 1.00 20.00 H new ATOM 0 HG2 GLU A 56 15.855 23.367 18.950 1.00 20.00 H new ATOM 0 HG3 GLU A 56 16.485 22.820 20.491 1.00 20.00 H new ATOM 288 N LEU A 57 18.278 25.477 18.929 1.00 20.00 N ATOM 289 CA LEU A 57 18.935 25.501 17.619 1.00 20.00 C ATOM 290 C LEU A 57 18.498 24.312 16.743 1.00 20.00 C ATOM 291 O LEU A 57 17.687 23.482 17.157 1.00 20.00 O ATOM 292 CB LEU A 57 20.466 25.541 17.839 1.00 20.00 C ATOM 293 CG LEU A 57 20.950 26.889 18.421 1.00 20.00 C ATOM 294 CD1 LEU A 57 22.447 26.851 18.755 1.00 20.00 C ATOM 295 CD2 LEU A 57 20.699 28.085 17.487 1.00 20.00 C ATOM 0 H LEU A 57 18.900 25.159 19.673 1.00 20.00 H new ATOM 0 HA LEU A 57 18.633 26.394 17.072 1.00 20.00 H new ATOM 0 HB2 LEU A 57 20.753 24.735 18.514 1.00 20.00 H new ATOM 0 HB3 LEU A 57 20.970 25.358 16.890 1.00 20.00 H new ATOM 0 HG LEU A 57 20.360 27.030 19.326 1.00 20.00 H new ATOM 0 HD11 LEU A 57 22.754 27.815 19.162 1.00 20.00 H new ATOM 0 HD12 LEU A 57 22.636 26.070 19.491 1.00 20.00 H new ATOM 0 HD13 LEU A 57 23.017 26.642 17.850 1.00 20.00 H new ATOM 0 HD21 LEU A 57 21.063 28.998 17.959 1.00 20.00 H new ATOM 0 HD22 LEU A 57 21.225 27.928 16.546 1.00 20.00 H new ATOM 0 HD23 LEU A 57 19.630 28.178 17.294 1.00 20.00 H new ATOM 307 N GLN A 58 19.037 24.242 15.517 1.00 20.00 N ATOM 308 CA GLN A 58 18.763 23.172 14.556 1.00 20.00 C ATOM 309 C GLN A 58 20.018 22.362 14.217 1.00 20.00 C ATOM 310 O GLN A 58 19.943 21.137 14.138 1.00 20.00 O ATOM 311 CB GLN A 58 18.053 23.729 13.309 1.00 20.00 C ATOM 312 CG GLN A 58 18.905 24.650 12.421 1.00 20.00 C ATOM 313 CD GLN A 58 18.099 25.218 11.258 1.00 20.00 C ATOM 314 OE1 GLN A 58 17.316 26.145 11.439 1.00 20.00 O ATOM 315 NE2 GLN A 58 18.295 24.683 10.054 1.00 20.00 N ATOM 0 H GLN A 58 19.688 24.943 15.162 1.00 20.00 H new ATOM 0 HA GLN A 58 18.079 22.465 15.026 1.00 20.00 H new ATOM 0 HB2 GLN A 58 17.705 22.891 12.705 1.00 20.00 H new ATOM 0 HB3 GLN A 58 17.169 24.279 13.631 1.00 20.00 H new ATOM 0 HG2 GLN A 58 19.303 25.468 13.022 1.00 20.00 H new ATOM 0 HG3 GLN A 58 19.759 24.094 12.034 1.00 20.00 H new ATOM 0 HE21 GLN A 58 18.954 23.913 9.939 1.00 20.00 H new ATOM 0 HE22 GLN A 58 17.786 25.044 9.247 1.00 20.00 H new ATOM 324 N ALA A 59 21.164 23.033 14.055 1.00 20.00 N ATOM 325 CA ALA A 59 22.453 22.409 13.791 1.00 20.00 C ATOM 326 C ALA A 59 23.113 21.919 15.085 1.00 20.00 C ATOM 327 O ALA A 59 23.696 20.835 15.096 1.00 20.00 O ATOM 328 CB ALA A 59 23.358 23.421 13.084 1.00 20.00 C ATOM 0 H ALA A 59 21.215 24.050 14.106 1.00 20.00 H new ATOM 0 HA ALA A 59 22.299 21.538 13.154 1.00 20.00 H new ATOM 0 HB1 ALA A 59 24.327 22.964 12.881 1.00 20.00 H new ATOM 0 HB2 ALA A 59 22.898 23.727 12.145 1.00 20.00 H new ATOM 0 HB3 ALA A 59 23.495 24.294 13.722 1.00 20.00 H new ATOM 334 N GLU A 60 23.023 22.703 16.171 1.00 20.00 N ATOM 335 CA GLU A 60 23.802 22.478 17.387 1.00 20.00 C ATOM 336 C GLU A 60 23.032 21.692 18.454 1.00 20.00 C ATOM 337 O GLU A 60 23.641 21.174 19.387 1.00 20.00 O ATOM 338 CB GLU A 60 24.261 23.839 17.918 1.00 20.00 C ATOM 339 CG GLU A 60 25.584 23.748 18.692 1.00 20.00 C ATOM 340 CD GLU A 60 26.218 25.128 18.848 1.00 20.00 C ATOM 341 OE1 GLU A 60 26.812 25.589 17.849 1.00 20.00 O ATOM 342 OE2 GLU A 60 26.090 25.722 19.940 1.00 20.00 O ATOM 0 H GLU A 60 22.404 23.512 16.225 1.00 20.00 H new ATOM 0 HA GLU A 60 24.663 21.857 17.140 1.00 20.00 H new ATOM 0 HB2 GLU A 60 24.378 24.531 17.084 1.00 20.00 H new ATOM 0 HB3 GLU A 60 23.490 24.251 18.569 1.00 20.00 H new ATOM 0 HG2 GLU A 60 25.406 23.312 19.675 1.00 20.00 H new ATOM 0 HG3 GLU A 60 26.272 23.084 18.168 1.00 20.00 H new ATOM 349 N SER A 61 21.708 21.568 18.312 1.00 20.00 N ATOM 350 CA SER A 61 20.881 20.733 19.172 1.00 20.00 C ATOM 351 C SER A 61 21.186 19.248 18.958 1.00 20.00 C ATOM 352 O SER A 61 21.291 18.504 19.930 1.00 20.00 O ATOM 353 CB SER A 61 19.408 21.036 18.899 1.00 20.00 C ATOM 354 OG SER A 61 19.121 22.352 19.321 1.00 20.00 O ATOM 0 H SER A 61 21.180 22.053 17.586 1.00 20.00 H new ATOM 0 HA SER A 61 21.106 20.960 20.214 1.00 20.00 H new ATOM 0 HB2 SER A 61 19.192 20.927 17.836 1.00 20.00 H new ATOM 0 HB3 SER A 61 18.774 20.325 19.428 1.00 20.00 H new ATOM 0 HG SER A 61 18.515 22.777 18.679 1.00 20.00 H new ATOM 360 N ALA A 62 21.384 18.831 17.699 1.00 20.00 N ATOM 361 CA ALA A 62 21.823 17.485 17.344 1.00 20.00 C ATOM 362 C ALA A 62 23.269 17.186 17.778 1.00 20.00 C ATOM 363 O ALA A 62 23.647 16.018 17.840 1.00 20.00 O ATOM 364 CB ALA A 62 21.670 17.307 15.832 1.00 20.00 C ATOM 0 H ALA A 62 21.239 19.434 16.889 1.00 20.00 H new ATOM 0 HA ALA A 62 21.196 16.774 17.882 1.00 20.00 H new ATOM 0 HB1 ALA A 62 21.994 16.305 15.549 1.00 20.00 H new ATOM 0 HB2 ALA A 62 20.625 17.443 15.554 1.00 20.00 H new ATOM 0 HB3 ALA A 62 22.282 18.046 15.315 1.00 20.00 H new ATOM 370 N SER A 63 24.071 18.212 18.099 1.00 20.00 N ATOM 371 CA SER A 63 25.446 18.056 18.574 1.00 20.00 C ATOM 372 C SER A 63 25.514 17.440 19.976 1.00 20.00 C ATOM 373 O SER A 63 26.420 16.656 20.250 1.00 20.00 O ATOM 374 CB SER A 63 26.144 19.414 18.577 1.00 20.00 C ATOM 375 OG SER A 63 27.535 19.235 18.706 1.00 20.00 O ATOM 0 H SER A 63 23.775 19.186 18.034 1.00 20.00 H new ATOM 0 HA SER A 63 25.951 17.372 17.892 1.00 20.00 H new ATOM 0 HB2 SER A 63 25.921 19.950 17.654 1.00 20.00 H new ATOM 0 HB3 SER A 63 25.769 20.024 19.399 1.00 20.00 H new ATOM 0 HG SER A 63 27.979 20.109 18.706 1.00 20.00 H new ATOM 381 N CYS A 64 24.565 17.775 20.861 1.00 20.00 N ATOM 382 CA CYS A 64 24.506 17.276 22.228 1.00 20.00 C ATOM 383 C CYS A 64 24.239 15.775 22.270 1.00 20.00 C ATOM 384 O CYS A 64 24.858 15.070 23.055 1.00 20.00 O ATOM 385 CB CYS A 64 23.439 18.045 23.009 1.00 20.00 C ATOM 386 SG CYS A 64 23.763 19.810 23.143 1.00 20.00 S ATOM 0 H CYS A 64 23.804 18.415 20.634 1.00 20.00 H new ATOM 0 HA CYS A 64 25.477 17.438 22.695 1.00 20.00 H new ATOM 0 HB2 CYS A 64 22.473 17.899 22.526 1.00 20.00 H new ATOM 0 HB3 CYS A 64 23.361 17.623 24.011 1.00 20.00 H new ATOM 391 N GLY A 65 23.361 15.271 21.404 1.00 20.00 N ATOM 392 CA GLY A 65 22.954 13.879 21.319 1.00 20.00 C ATOM 393 C GLY A 65 21.443 13.703 21.292 1.00 20.00 C ATOM 394 O GLY A 65 20.691 14.666 21.227 1.00 20.00 O ATOM 0 H GLY A 65 22.894 15.856 20.711 1.00 20.00 H new ATOM 0 HA2 GLY A 65 23.382 13.435 20.420 1.00 20.00 H new ATOM 0 HA3 GLY A 65 23.363 13.334 22.170 1.00 20.00 H new ATOM 398 N LYS A 66 20.988 12.451 21.326 1.00 20.00 N ATOM 399 CA LYS A 66 19.586 12.052 21.365 1.00 20.00 C ATOM 400 C LYS A 66 18.945 12.483 22.691 1.00 20.00 C ATOM 401 O LYS A 66 19.457 12.143 23.757 1.00 20.00 O ATOM 402 CB LYS A 66 19.504 10.526 21.163 1.00 20.00 C ATOM 403 CG LYS A 66 18.070 10.006 20.947 1.00 20.00 C ATOM 404 CD LYS A 66 17.470 10.354 19.575 1.00 20.00 C ATOM 405 CE LYS A 66 18.174 9.584 18.452 1.00 20.00 C ATOM 406 NZ LYS A 66 17.586 9.875 17.135 1.00 20.00 N ATOM 0 H LYS A 66 21.620 11.650 21.327 1.00 20.00 H new ATOM 0 HA LYS A 66 19.031 12.544 20.566 1.00 20.00 H new ATOM 0 HB2 LYS A 66 20.115 10.249 20.304 1.00 20.00 H new ATOM 0 HB3 LYS A 66 19.934 10.030 22.033 1.00 20.00 H new ATOM 0 HG2 LYS A 66 18.067 8.923 21.067 1.00 20.00 H new ATOM 0 HG3 LYS A 66 17.427 10.415 21.726 1.00 20.00 H new ATOM 0 HD2 LYS A 66 16.406 10.118 19.570 1.00 20.00 H new ATOM 0 HD3 LYS A 66 17.560 11.426 19.397 1.00 20.00 H new ATOM 0 HE2 LYS A 66 19.233 9.843 18.442 1.00 20.00 H new ATOM 0 HE3 LYS A 66 18.110 8.514 18.650 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 18.090 9.335 16.403 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 16.582 9.604 17.136 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 17.670 10.892 16.934 1.00 20.00 H new ATOM 420 N GLY A 67 17.810 13.191 22.615 1.00 20.00 N ATOM 421 CA GLY A 67 17.021 13.614 23.768 1.00 20.00 C ATOM 422 C GLY A 67 17.487 14.916 24.433 1.00 20.00 C ATOM 423 O GLY A 67 16.937 15.272 25.474 1.00 20.00 O ATOM 0 H GLY A 67 17.410 13.490 21.726 1.00 20.00 H new ATOM 0 HA2 GLY A 67 15.984 13.735 23.454 1.00 20.00 H new ATOM 0 HA3 GLY A 67 17.038 12.818 24.512 1.00 20.00 H new ATOM 427 N GLN A 68 18.480 15.606 23.853 1.00 20.00 N ATOM 428 CA GLN A 68 19.074 16.841 24.361 1.00 20.00 C ATOM 429 C GLN A 68 19.306 17.831 23.216 1.00 20.00 C ATOM 430 O GLN A 68 19.419 17.437 22.056 1.00 20.00 O ATOM 431 CB GLN A 68 20.367 16.559 25.147 1.00 20.00 C ATOM 432 CG GLN A 68 21.307 15.535 24.497 1.00 20.00 C ATOM 433 CD GLN A 68 22.526 15.172 25.346 1.00 20.00 C ATOM 434 OE1 GLN A 68 23.008 14.045 25.277 1.00 20.00 O ATOM 435 NE2 GLN A 68 23.068 16.105 26.127 1.00 20.00 N ATOM 0 H GLN A 68 18.907 15.301 22.978 1.00 20.00 H new ATOM 0 HA GLN A 68 18.374 17.298 25.061 1.00 20.00 H new ATOM 0 HB2 GLN A 68 20.908 17.496 25.277 1.00 20.00 H new ATOM 0 HB3 GLN A 68 20.100 16.205 26.143 1.00 20.00 H new ATOM 0 HG2 GLN A 68 20.744 14.626 24.284 1.00 20.00 H new ATOM 0 HG3 GLN A 68 21.650 15.930 23.540 1.00 20.00 H new ATOM 0 HE21 GLN A 68 22.654 17.036 26.172 1.00 20.00 H new ATOM 0 HE22 GLN A 68 23.897 15.888 26.680 1.00 20.00 H new ATOM 444 N LYS A 69 19.363 19.125 23.563 1.00 20.00 N ATOM 445 CA LYS A 69 19.460 20.250 22.635 1.00 20.00 C ATOM 446 C LYS A 69 20.392 21.343 23.183 1.00 20.00 C ATOM 447 O LYS A 69 20.954 21.183 24.261 1.00 20.00 O ATOM 448 CB LYS A 69 18.043 20.735 22.289 1.00 20.00 C ATOM 449 CG LYS A 69 17.181 21.278 23.438 1.00 20.00 C ATOM 450 CD LYS A 69 17.417 22.766 23.722 1.00 20.00 C ATOM 451 CE LYS A 69 16.271 23.324 24.559 1.00 20.00 C ATOM 452 NZ LYS A 69 16.071 24.763 24.304 1.00 20.00 N ATOM 0 H LYS A 69 19.342 19.423 24.538 1.00 20.00 H new ATOM 0 HA LYS A 69 19.926 19.937 21.701 1.00 20.00 H new ATOM 0 HB2 LYS A 69 18.130 21.517 21.535 1.00 20.00 H new ATOM 0 HB3 LYS A 69 17.506 19.906 21.828 1.00 20.00 H new ATOM 0 HG2 LYS A 69 16.129 21.123 23.198 1.00 20.00 H new ATOM 0 HG3 LYS A 69 17.390 20.705 24.342 1.00 20.00 H new ATOM 0 HD2 LYS A 69 18.362 22.899 24.249 1.00 20.00 H new ATOM 0 HD3 LYS A 69 17.495 23.316 22.784 1.00 20.00 H new ATOM 0 HE2 LYS A 69 15.354 22.781 24.331 1.00 20.00 H new ATOM 0 HE3 LYS A 69 16.480 23.166 25.617 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 15.715 25.222 25.167 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 16.976 25.196 24.029 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 15.381 24.887 23.536 1.00 20.00 H new ATOM 466 N CYS A 70 20.590 22.447 22.446 1.00 20.00 N ATOM 467 CA CYS A 70 21.538 23.514 22.795 1.00 20.00 C ATOM 468 C CYS A 70 20.828 24.831 23.147 1.00 20.00 C ATOM 469 O CYS A 70 19.628 24.989 22.923 1.00 20.00 O ATOM 470 CB CYS A 70 22.531 23.692 21.641 1.00 20.00 C ATOM 471 SG CYS A 70 24.128 24.437 22.090 1.00 20.00 S ATOM 0 H CYS A 70 20.087 22.625 21.577 1.00 20.00 H new ATOM 0 HA CYS A 70 22.080 23.222 23.694 1.00 20.00 H new ATOM 0 HB2 CYS A 70 22.718 22.716 21.192 1.00 20.00 H new ATOM 0 HB3 CYS A 70 22.064 24.311 20.875 1.00 20.00 H new ATOM 0 HG CYS A 70 24.717 24.879 21.019 1.00 20.00 H new ATOM 476 N CYS A 71 21.590 25.787 23.697 1.00 20.00 N ATOM 477 CA CYS A 71 21.118 27.084 24.177 1.00 20.00 C ATOM 478 C CYS A 71 22.078 28.201 23.752 1.00 20.00 C ATOM 479 O CYS A 71 23.297 28.030 23.787 1.00 20.00 O ATOM 480 CB CYS A 71 20.997 27.009 25.702 1.00 20.00 C ATOM 481 SG CYS A 71 20.194 28.436 26.490 1.00 20.00 S ATOM 0 H CYS A 71 22.595 25.668 23.823 1.00 20.00 H new ATOM 0 HA CYS A 71 20.146 27.316 23.742 1.00 20.00 H new ATOM 0 HB2 CYS A 71 20.438 26.110 25.962 1.00 20.00 H new ATOM 0 HB3 CYS A 71 21.996 26.897 26.124 1.00 20.00 H new