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=-0.00396 X(o=-0.004,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0425) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 79:sc= 0.0311 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.588 X(o=-0.59,f=-0.9) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 1.17 (180deg=1.13) USER MOD Single : A 70 CYS SG : rot -45:sc= -0.242 USER MOD ----------------------------------------------------------------- ATOM 116 N GLU A 46 27.299 24.883 27.004 1.00 20.00 N ATOM 117 CA GLU A 46 26.911 23.734 27.820 1.00 20.00 C ATOM 118 C GLU A 46 25.733 22.977 27.208 1.00 20.00 C ATOM 119 O GLU A 46 24.797 23.572 26.668 1.00 20.00 O ATOM 120 CB GLU A 46 26.562 24.196 29.245 1.00 20.00 C ATOM 121 CG GLU A 46 27.806 24.632 30.031 1.00 20.00 C ATOM 122 CD GLU A 46 27.506 25.071 31.469 1.00 20.00 C ATOM 123 OE1 GLU A 46 28.427 25.657 32.079 1.00 20.00 O ATOM 124 OE2 GLU A 46 26.387 24.804 31.965 1.00 20.00 O ATOM 0 HA GLU A 46 27.759 23.050 27.857 1.00 20.00 H new ATOM 0 HB2 GLU A 46 25.857 25.025 29.194 1.00 20.00 H new ATOM 0 HB3 GLU A 46 26.063 23.386 29.777 1.00 20.00 H new ATOM 0 HG2 GLU A 46 28.518 23.807 30.054 1.00 20.00 H new ATOM 0 HG3 GLU A 46 28.288 25.455 29.503 1.00 20.00 H new ATOM 131 N CYS A 47 25.794 21.646 27.352 1.00 20.00 N ATOM 132 CA CYS A 47 24.764 20.696 26.968 1.00 20.00 C ATOM 133 C CYS A 47 23.746 20.564 28.105 1.00 20.00 C ATOM 134 O CYS A 47 23.911 19.756 29.019 1.00 20.00 O ATOM 135 CB CYS A 47 25.409 19.354 26.610 1.00 20.00 C ATOM 136 SG CYS A 47 26.397 19.392 25.088 1.00 20.00 S ATOM 0 H CYS A 47 26.609 21.189 27.761 1.00 20.00 H new ATOM 0 HA CYS A 47 24.232 21.049 26.085 1.00 20.00 H new ATOM 0 HB2 CYS A 47 26.045 19.037 27.436 1.00 20.00 H new ATOM 0 HB3 CYS A 47 24.626 18.603 26.504 1.00 20.00 H new ATOM 141 N ASN A 48 22.698 21.390 28.035 1.00 20.00 N ATOM 142 CA ASN A 48 21.565 21.422 28.957 1.00 20.00 C ATOM 143 C ASN A 48 20.398 20.609 28.371 1.00 20.00 C ATOM 144 O ASN A 48 20.375 20.386 27.162 1.00 20.00 O ATOM 145 CB ASN A 48 21.172 22.893 29.165 1.00 20.00 C ATOM 146 CG ASN A 48 22.210 23.641 29.996 1.00 20.00 C ATOM 147 OD1 ASN A 48 22.214 23.547 31.220 1.00 20.00 O ATOM 148 ND2 ASN A 48 23.101 24.384 29.344 1.00 20.00 N ATOM 0 H ASN A 48 22.615 22.088 27.296 1.00 20.00 H new ATOM 0 HA ASN A 48 21.827 20.977 29.917 1.00 20.00 H new ATOM 0 HB2 ASN A 48 21.061 23.381 28.197 1.00 20.00 H new ATOM 0 HB3 ASN A 48 20.203 22.944 29.661 1.00 20.00 H new ATOM 0 HD21 ASN A 48 23.815 24.896 29.862 1.00 20.00 H new ATOM 0 HD22 ASN A 48 23.070 24.441 28.326 1.00 20.00 H new ATOM 155 N PRO A 49 19.403 20.186 29.177 1.00 20.00 N ATOM 156 CA PRO A 49 18.265 19.416 28.679 1.00 20.00 C ATOM 157 C PRO A 49 17.400 20.227 27.704 1.00 20.00 C ATOM 158 O PRO A 49 17.473 21.455 27.650 1.00 20.00 O ATOM 159 CB PRO A 49 17.482 18.977 29.920 1.00 20.00 C ATOM 160 CG PRO A 49 17.861 20.016 30.971 1.00 20.00 C ATOM 161 CD PRO A 49 19.307 20.357 30.620 1.00 20.00 C ATOM 0 HA PRO A 49 18.597 18.554 28.100 1.00 20.00 H new ATOM 0 HB2 PRO A 49 16.408 18.969 29.734 1.00 20.00 H new ATOM 0 HB3 PRO A 49 17.759 17.970 30.233 1.00 20.00 H new ATOM 0 HG2 PRO A 49 17.217 20.894 30.920 1.00 20.00 H new ATOM 0 HG3 PRO A 49 17.776 19.616 31.981 1.00 20.00 H new ATOM 0 HD2 PRO A 49 19.552 21.378 30.912 1.00 20.00 H new ATOM 0 HD3 PRO A 49 20.004 19.700 31.141 1.00 20.00 H new ATOM 169 N LEU A 50 16.545 19.521 26.956 1.00 20.00 N ATOM 170 CA LEU A 50 15.535 20.103 26.067 1.00 20.00 C ATOM 171 C LEU A 50 14.519 20.943 26.860 1.00 20.00 C ATOM 172 O LEU A 50 14.026 21.953 26.358 1.00 20.00 O ATOM 173 CB LEU A 50 14.822 18.967 25.321 1.00 20.00 C ATOM 174 CG LEU A 50 15.760 18.125 24.434 1.00 20.00 C ATOM 175 CD1 LEU A 50 15.109 16.764 24.195 1.00 20.00 C ATOM 176 CD2 LEU A 50 16.068 18.810 23.102 1.00 20.00 C ATOM 0 H LEU A 50 16.537 18.501 26.953 1.00 20.00 H new ATOM 0 HA LEU A 50 16.024 20.766 25.354 1.00 20.00 H new ATOM 0 HB2 LEU A 50 14.340 18.313 26.048 1.00 20.00 H new ATOM 0 HB3 LEU A 50 14.033 19.391 24.700 1.00 20.00 H new ATOM 0 HG LEU A 50 16.712 18.007 24.951 1.00 20.00 H new ATOM 0 HD11 LEU A 50 15.760 16.154 23.568 1.00 20.00 H new ATOM 0 HD12 LEU A 50 14.952 16.263 25.150 1.00 20.00 H new ATOM 0 HD13 LEU A 50 14.150 16.902 23.696 1.00 20.00 H new ATOM 0 HD21 LEU A 50 16.732 18.178 22.513 1.00 20.00 H new ATOM 0 HD22 LEU A 50 15.140 18.972 22.553 1.00 20.00 H new ATOM 0 HD23 LEU A 50 16.551 19.769 23.289 1.00 20.00 H new ATOM 188 N ASP A 51 14.268 20.542 28.116 1.00 20.00 N ATOM 189 CA ASP A 51 13.451 21.224 29.123 1.00 20.00 C ATOM 190 C ASP A 51 13.954 22.632 29.500 1.00 20.00 C ATOM 191 O ASP A 51 13.185 23.410 30.068 1.00 20.00 O ATOM 192 CB ASP A 51 13.416 20.358 30.397 1.00 20.00 C ATOM 193 CG ASP A 51 12.866 18.951 30.160 1.00 20.00 C ATOM 194 OD1 ASP A 51 13.670 18.071 29.779 1.00 20.00 O ATOM 195 OD2 ASP A 51 11.647 18.769 30.370 1.00 20.00 O ATOM 0 H ASP A 51 14.659 19.672 28.476 1.00 20.00 H new ATOM 0 HA ASP A 51 12.463 21.355 28.682 1.00 20.00 H new ATOM 0 HB2 ASP A 51 14.424 20.282 30.804 1.00 20.00 H new ATOM 0 HB3 ASP A 51 12.805 20.857 31.150 1.00 20.00 H new ATOM 200 N ARG A 52 15.221 22.965 29.196 1.00 20.00 N ATOM 201 CA ARG A 52 15.818 24.278 29.436 1.00 20.00 C ATOM 202 C ARG A 52 15.122 25.345 28.584 1.00 20.00 C ATOM 203 O ARG A 52 14.884 25.121 27.398 1.00 20.00 O ATOM 204 CB ARG A 52 17.312 24.215 29.106 1.00 20.00 C ATOM 205 CG ARG A 52 18.100 25.411 29.645 1.00 20.00 C ATOM 206 CD ARG A 52 18.017 25.512 31.176 1.00 20.00 C ATOM 207 NE ARG A 52 16.956 26.411 31.651 1.00 20.00 N ATOM 208 CZ ARG A 52 16.966 27.750 31.618 1.00 20.00 C ATOM 209 NH1 ARG A 52 17.969 28.438 31.074 1.00 20.00 N ATOM 210 NH2 ARG A 52 15.944 28.428 32.132 1.00 20.00 N ATOM 0 H ARG A 52 15.870 22.306 28.765 1.00 20.00 H new ATOM 0 HA ARG A 52 15.691 24.550 30.484 1.00 20.00 H new ATOM 0 HB2 ARG A 52 17.730 23.297 29.519 1.00 20.00 H new ATOM 0 HB3 ARG A 52 17.437 24.164 28.024 1.00 20.00 H new ATOM 0 HG2 ARG A 52 19.144 25.323 29.344 1.00 20.00 H new ATOM 0 HG3 ARG A 52 17.716 26.329 29.200 1.00 20.00 H new ATOM 0 HD2 ARG A 52 17.850 24.517 31.589 1.00 20.00 H new ATOM 0 HD3 ARG A 52 18.976 25.860 31.561 1.00 20.00 H new ATOM 0 HE ARG A 52 16.126 25.970 32.047 1.00 20.00 H new ATOM 0 HH11 ARG A 52 18.763 27.945 30.665 1.00 20.00 H new ATOM 0 HH12 ARG A 52 17.943 29.458 31.067 1.00 20.00 H new ATOM 0 HH21 ARG A 52 15.158 27.928 32.548 1.00 20.00 H new ATOM 0 HH22 ARG A 52 15.946 29.448 32.110 1.00 20.00 H new ATOM 224 N GLN A 53 14.838 26.515 29.168 1.00 20.00 N ATOM 225 CA GLN A 53 14.423 27.701 28.422 1.00 20.00 C ATOM 226 C GLN A 53 15.670 28.405 27.867 1.00 20.00 C ATOM 227 O GLN A 53 16.154 29.385 28.438 1.00 20.00 O ATOM 228 CB GLN A 53 13.556 28.637 29.279 1.00 20.00 C ATOM 229 CG GLN A 53 12.211 28.002 29.666 1.00 20.00 C ATOM 230 CD GLN A 53 11.275 29.027 30.310 1.00 20.00 C ATOM 231 OE1 GLN A 53 11.654 29.733 31.241 1.00 20.00 O ATOM 232 NE2 GLN A 53 10.039 29.127 29.821 1.00 20.00 N ATOM 0 H GLN A 53 14.891 26.663 30.176 1.00 20.00 H new ATOM 0 HA GLN A 53 13.793 27.398 27.585 1.00 20.00 H new ATOM 0 HB2 GLN A 53 14.101 28.905 30.184 1.00 20.00 H new ATOM 0 HB3 GLN A 53 13.374 29.561 28.731 1.00 20.00 H new ATOM 0 HG2 GLN A 53 11.737 27.581 28.779 1.00 20.00 H new ATOM 0 HG3 GLN A 53 12.382 27.178 30.358 1.00 20.00 H new ATOM 0 HE21 GLN A 53 9.747 28.530 29.047 1.00 20.00 H new ATOM 0 HE22 GLN A 53 9.385 29.801 30.220 1.00 20.00 H new ATOM 241 N CYS A 54 16.191 27.881 26.750 1.00 20.00 N ATOM 242 CA CYS A 54 17.296 28.457 25.994 1.00 20.00 C ATOM 243 C CYS A 54 17.180 28.121 24.504 1.00 20.00 C ATOM 244 O CYS A 54 16.324 27.336 24.091 1.00 20.00 O ATOM 245 CB CYS A 54 18.636 27.970 26.563 1.00 20.00 C ATOM 246 SG CYS A 54 19.116 26.282 26.102 1.00 20.00 S ATOM 0 H CYS A 54 15.839 27.016 26.339 1.00 20.00 H new ATOM 0 HA CYS A 54 17.251 29.542 26.091 1.00 20.00 H new ATOM 0 HB2 CYS A 54 19.419 28.654 26.236 1.00 20.00 H new ATOM 0 HB3 CYS A 54 18.593 28.032 27.650 1.00 20.00 H new ATOM 251 N LYS A 55 18.078 28.708 23.704 1.00 20.00 N ATOM 252 CA LYS A 55 18.169 28.481 22.265 1.00 20.00 C ATOM 253 C LYS A 55 18.652 27.052 21.953 1.00 20.00 C ATOM 254 O LYS A 55 19.166 26.351 22.826 1.00 20.00 O ATOM 255 CB LYS A 55 19.086 29.551 21.644 1.00 20.00 C ATOM 256 CG LYS A 55 18.593 29.976 20.254 1.00 20.00 C ATOM 257 CD LYS A 55 19.436 31.131 19.699 1.00 20.00 C ATOM 258 CE LYS A 55 18.888 31.648 18.365 1.00 20.00 C ATOM 259 NZ LYS A 55 17.605 32.364 18.532 1.00 20.00 N ATOM 0 H LYS A 55 18.775 29.367 24.051 1.00 20.00 H new ATOM 0 HA LYS A 55 17.178 28.572 21.820 1.00 20.00 H new ATOM 0 HB2 LYS A 55 19.126 30.421 22.299 1.00 20.00 H new ATOM 0 HB3 LYS A 55 20.101 29.162 21.568 1.00 20.00 H new ATOM 0 HG2 LYS A 55 18.640 29.127 19.572 1.00 20.00 H new ATOM 0 HG3 LYS A 55 17.548 30.280 20.312 1.00 20.00 H new ATOM 0 HD2 LYS A 55 19.457 31.946 20.423 1.00 20.00 H new ATOM 0 HD3 LYS A 55 20.465 30.797 19.564 1.00 20.00 H new ATOM 0 HE2 LYS A 55 19.618 32.315 17.907 1.00 20.00 H new ATOM 0 HE3 LYS A 55 18.749 30.810 17.681 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 17.346 32.826 17.637 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 16.862 31.687 18.799 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 17.703 33.083 19.277 1.00 20.00 H new ATOM 273 N GLU A 56 18.485 26.630 20.695 1.00 20.00 N ATOM 274 CA GLU A 56 18.763 25.275 20.228 1.00 20.00 C ATOM 275 C GLU A 56 19.474 25.317 18.866 1.00 20.00 C ATOM 276 O GLU A 56 19.349 26.286 18.114 1.00 20.00 O ATOM 277 CB GLU A 56 17.424 24.517 20.196 1.00 20.00 C ATOM 278 CG GLU A 56 17.529 23.033 19.815 1.00 20.00 C ATOM 279 CD GLU A 56 16.208 22.294 20.047 1.00 20.00 C ATOM 280 OE1 GLU A 56 16.227 21.292 20.796 1.00 20.00 O ATOM 281 OE2 GLU A 56 15.190 22.719 19.458 1.00 20.00 O ATOM 0 H GLU A 56 18.142 27.243 19.955 1.00 20.00 H new ATOM 0 HA GLU A 56 19.444 24.748 20.896 1.00 20.00 H new ATOM 0 HB2 GLU A 56 16.957 24.593 21.178 1.00 20.00 H new ATOM 0 HB3 GLU A 56 16.760 25.013 19.488 1.00 20.00 H new ATOM 0 HG2 GLU A 56 17.816 22.946 18.767 1.00 20.00 H new ATOM 0 HG3 GLU A 56 18.318 22.562 20.401 1.00 20.00 H new ATOM 288 N LEU A 57 20.218 24.248 18.554 1.00 20.00 N ATOM 289 CA LEU A 57 20.991 24.056 17.328 1.00 20.00 C ATOM 290 C LEU A 57 20.602 22.732 16.655 1.00 20.00 C ATOM 291 O LEU A 57 19.660 22.061 17.078 1.00 20.00 O ATOM 292 CB LEU A 57 22.502 24.149 17.653 1.00 20.00 C ATOM 293 CG LEU A 57 22.973 25.578 17.995 1.00 20.00 C ATOM 294 CD1 LEU A 57 24.444 25.571 18.401 1.00 20.00 C ATOM 295 CD2 LEU A 57 22.807 26.574 16.848 1.00 20.00 C ATOM 0 H LEU A 57 20.299 23.452 19.187 1.00 20.00 H new ATOM 0 HA LEU A 57 20.763 24.845 16.611 1.00 20.00 H new ATOM 0 HB2 LEU A 57 22.726 23.491 18.493 1.00 20.00 H new ATOM 0 HB3 LEU A 57 23.072 23.782 16.800 1.00 20.00 H new ATOM 0 HG LEU A 57 22.334 25.902 18.816 1.00 20.00 H new ATOM 0 HD11 LEU A 57 24.761 26.586 18.639 1.00 20.00 H new ATOM 0 HD12 LEU A 57 24.577 24.935 19.276 1.00 20.00 H new ATOM 0 HD13 LEU A 57 25.047 25.187 17.578 1.00 20.00 H new ATOM 0 HD21 LEU A 57 23.160 27.556 17.165 1.00 20.00 H new ATOM 0 HD22 LEU A 57 23.388 26.239 15.989 1.00 20.00 H new ATOM 0 HD23 LEU A 57 21.755 26.638 16.571 1.00 20.00 H new ATOM 307 N GLN A 58 21.300 22.391 15.568 1.00 20.00 N ATOM 308 CA GLN A 58 21.094 21.171 14.794 1.00 20.00 C ATOM 309 C GLN A 58 22.381 20.360 14.643 1.00 20.00 C ATOM 310 O GLN A 58 22.357 19.138 14.780 1.00 20.00 O ATOM 311 CB GLN A 58 20.422 21.519 13.451 1.00 20.00 C ATOM 312 CG GLN A 58 21.238 22.433 12.515 1.00 20.00 C ATOM 313 CD GLN A 58 20.503 22.803 11.220 1.00 20.00 C ATOM 314 OE1 GLN A 58 19.290 22.636 11.095 1.00 20.00 O ATOM 315 NE2 GLN A 58 21.255 23.308 10.243 1.00 20.00 N ATOM 0 H GLN A 58 22.046 22.977 15.194 1.00 20.00 H new ATOM 0 HA GLN A 58 20.416 20.513 15.338 1.00 20.00 H new ATOM 0 HB2 GLN A 58 20.204 20.591 12.923 1.00 20.00 H new ATOM 0 HB3 GLN A 58 19.466 22.001 13.657 1.00 20.00 H new ATOM 0 HG2 GLN A 58 21.497 23.347 13.049 1.00 20.00 H new ATOM 0 HG3 GLN A 58 22.174 21.936 12.262 1.00 20.00 H new ATOM 0 HE21 GLN A 58 22.258 23.432 10.383 1.00 20.00 H new ATOM 0 HE22 GLN A 58 20.828 23.571 9.355 1.00 20.00 H new ATOM 324 N ALA A 59 23.516 21.032 14.435 1.00 20.00 N ATOM 325 CA ALA A 59 24.842 20.423 14.419 1.00 20.00 C ATOM 326 C ALA A 59 25.313 20.104 15.847 1.00 20.00 C ATOM 327 O ALA A 59 25.805 19.003 16.094 1.00 20.00 O ATOM 328 CB ALA A 59 25.835 21.354 13.720 1.00 20.00 C ATOM 0 H ALA A 59 23.535 22.038 14.269 1.00 20.00 H new ATOM 0 HA ALA A 59 24.789 19.486 13.865 1.00 20.00 H new ATOM 0 HB1 ALA A 59 26.823 20.893 13.712 1.00 20.00 H new ATOM 0 HB2 ALA A 59 25.509 21.531 12.695 1.00 20.00 H new ATOM 0 HB3 ALA A 59 25.882 22.303 14.254 1.00 20.00 H new ATOM 334 N GLU A 60 25.174 21.056 16.782 1.00 20.00 N ATOM 335 CA GLU A 60 25.696 20.934 18.138 1.00 20.00 C ATOM 336 C GLU A 60 24.716 20.244 19.086 1.00 20.00 C ATOM 337 O GLU A 60 25.131 19.595 20.039 1.00 20.00 O ATOM 338 CB GLU A 60 26.017 22.333 18.670 1.00 20.00 C ATOM 339 CG GLU A 60 27.048 22.299 19.813 1.00 20.00 C ATOM 340 CD GLU A 60 28.473 22.118 19.296 1.00 20.00 C ATOM 341 OE1 GLU A 60 29.064 23.139 18.881 1.00 20.00 O ATOM 342 OE2 GLU A 60 28.954 20.964 19.317 1.00 20.00 O ATOM 0 H GLU A 60 24.691 21.937 16.610 1.00 20.00 H new ATOM 0 HA GLU A 60 26.592 20.314 18.095 1.00 20.00 H new ATOM 0 HB2 GLU A 60 26.399 22.950 17.857 1.00 20.00 H new ATOM 0 HB3 GLU A 60 25.100 22.804 19.024 1.00 20.00 H new ATOM 0 HG2 GLU A 60 26.985 23.225 20.385 1.00 20.00 H new ATOM 0 HG3 GLU A 60 26.805 21.485 20.496 1.00 20.00 H new ATOM 349 N SER A 61 23.412 20.377 18.830 1.00 20.00 N ATOM 350 CA SER A 61 22.370 19.731 19.616 1.00 20.00 C ATOM 351 C SER A 61 22.437 18.201 19.462 1.00 20.00 C ATOM 352 O SER A 61 22.191 17.484 20.431 1.00 20.00 O ATOM 353 CB SER A 61 21.013 20.278 19.161 1.00 20.00 C ATOM 354 OG SER A 61 19.979 19.834 19.991 1.00 20.00 O ATOM 0 H SER A 61 23.051 20.943 18.062 1.00 20.00 H new ATOM 0 HA SER A 61 22.513 19.950 20.674 1.00 20.00 H new ATOM 0 HB2 SER A 61 21.040 21.368 19.162 1.00 20.00 H new ATOM 0 HB3 SER A 61 20.818 19.965 18.135 1.00 20.00 H new ATOM 0 HG SER A 61 19.126 20.201 19.676 1.00 20.00 H new ATOM 360 N ALA A 62 22.818 17.711 18.268 1.00 20.00 N ATOM 361 CA ALA A 62 23.104 16.308 17.999 1.00 20.00 C ATOM 362 C ALA A 62 24.355 15.813 18.743 1.00 20.00 C ATOM 363 O ALA A 62 24.387 14.655 19.161 1.00 20.00 O ATOM 364 CB ALA A 62 23.261 16.118 16.489 1.00 20.00 C ATOM 0 H ALA A 62 22.936 18.305 17.447 1.00 20.00 H new ATOM 0 HA ALA A 62 22.271 15.710 18.367 1.00 20.00 H new ATOM 0 HB1 ALA A 62 23.476 15.071 16.274 1.00 20.00 H new ATOM 0 HB2 ALA A 62 22.338 16.409 15.988 1.00 20.00 H new ATOM 0 HB3 ALA A 62 24.081 16.738 16.128 1.00 20.00 H new ATOM 370 N SER A 63 25.368 16.677 18.919 1.00 20.00 N ATOM 371 CA SER A 63 26.602 16.364 19.641 1.00 20.00 C ATOM 372 C SER A 63 26.396 16.240 21.153 1.00 20.00 C ATOM 373 O SER A 63 27.116 15.473 21.787 1.00 20.00 O ATOM 374 CB SER A 63 27.662 17.437 19.354 1.00 20.00 C ATOM 375 OG SER A 63 28.000 17.461 17.982 1.00 20.00 O ATOM 0 H SER A 63 25.347 17.629 18.555 1.00 20.00 H new ATOM 0 HA SER A 63 26.938 15.391 19.282 1.00 20.00 H new ATOM 0 HB2 SER A 63 27.286 18.414 19.657 1.00 20.00 H new ATOM 0 HB3 SER A 63 28.554 17.240 19.949 1.00 20.00 H new ATOM 0 HG SER A 63 27.310 17.947 17.484 1.00 20.00 H new ATOM 381 N CYS A 64 25.413 16.951 21.722 1.00 20.00 N ATOM 382 CA CYS A 64 25.087 16.921 23.146 1.00 20.00 C ATOM 383 C CYS A 64 24.426 15.612 23.616 1.00 20.00 C ATOM 384 O CYS A 64 24.345 15.380 24.823 1.00 20.00 O ATOM 385 CB CYS A 64 24.179 18.113 23.475 1.00 20.00 C ATOM 386 SG CYS A 64 25.026 19.708 23.606 1.00 20.00 S ATOM 0 H CYS A 64 24.810 17.577 21.188 1.00 20.00 H new ATOM 0 HA CYS A 64 26.032 16.983 23.685 1.00 20.00 H new ATOM 0 HB2 CYS A 64 23.411 18.189 22.705 1.00 20.00 H new ATOM 0 HB3 CYS A 64 23.668 17.912 24.416 1.00 20.00 H new ATOM 391 N GLY A 65 23.983 14.754 22.686 1.00 20.00 N ATOM 392 CA GLY A 65 23.321 13.483 22.964 1.00 20.00 C ATOM 393 C GLY A 65 21.801 13.630 23.033 1.00 20.00 C ATOM 394 O GLY A 65 21.279 14.725 23.249 1.00 20.00 O ATOM 0 H GLY A 65 24.082 14.937 21.687 1.00 20.00 H new ATOM 0 HA2 GLY A 65 23.580 12.762 22.188 1.00 20.00 H new ATOM 0 HA3 GLY A 65 23.689 13.082 23.908 1.00 20.00 H new ATOM 398 N LYS A 66 21.094 12.513 22.820 1.00 20.00 N ATOM 399 CA LYS A 66 19.642 12.468 22.664 1.00 20.00 C ATOM 400 C LYS A 66 18.960 12.673 24.024 1.00 20.00 C ATOM 401 O LYS A 66 18.912 11.758 24.849 1.00 20.00 O ATOM 402 CB LYS A 66 19.243 11.161 21.950 1.00 20.00 C ATOM 403 CG LYS A 66 17.920 11.256 21.168 1.00 20.00 C ATOM 404 CD LYS A 66 16.639 11.300 22.009 1.00 20.00 C ATOM 405 CE LYS A 66 16.437 9.988 22.768 1.00 20.00 C ATOM 406 NZ LYS A 66 15.119 9.943 23.427 1.00 20.00 N ATOM 0 H LYS A 66 21.531 11.594 22.750 1.00 20.00 H new ATOM 0 HA LYS A 66 19.295 13.285 22.031 1.00 20.00 H new ATOM 0 HB2 LYS A 66 20.040 10.876 21.263 1.00 20.00 H new ATOM 0 HB3 LYS A 66 19.160 10.365 22.690 1.00 20.00 H new ATOM 0 HG2 LYS A 66 17.953 12.151 20.546 1.00 20.00 H new ATOM 0 HG3 LYS A 66 17.858 10.402 20.494 1.00 20.00 H new ATOM 0 HD2 LYS A 66 16.692 12.129 22.715 1.00 20.00 H new ATOM 0 HD3 LYS A 66 15.781 11.486 21.363 1.00 20.00 H new ATOM 0 HE2 LYS A 66 16.529 9.149 22.078 1.00 20.00 H new ATOM 0 HE3 LYS A 66 17.223 9.874 23.515 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 15.014 9.040 23.933 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 15.042 10.730 24.103 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 14.370 10.027 22.711 1.00 20.00 H new ATOM 420 N GLY A 67 18.469 13.899 24.244 1.00 20.00 N ATOM 421 CA GLY A 67 17.892 14.391 25.493 1.00 20.00 C ATOM 422 C GLY A 67 18.431 15.767 25.906 1.00 20.00 C ATOM 423 O GLY A 67 17.897 16.358 26.845 1.00 20.00 O ATOM 0 H GLY A 67 18.465 14.610 23.513 1.00 20.00 H new ATOM 0 HA2 GLY A 67 16.809 14.449 25.387 1.00 20.00 H new ATOM 0 HA3 GLY A 67 18.097 13.674 26.288 1.00 20.00 H new ATOM 427 N GLN A 68 19.466 16.280 25.220 1.00 20.00 N ATOM 428 CA GLN A 68 20.109 17.564 25.490 1.00 20.00 C ATOM 429 C GLN A 68 20.336 18.348 24.188 1.00 20.00 C ATOM 430 O GLN A 68 20.360 17.784 23.094 1.00 20.00 O ATOM 431 CB GLN A 68 21.458 17.359 26.217 1.00 20.00 C ATOM 432 CG GLN A 68 21.379 16.820 27.654 1.00 20.00 C ATOM 433 CD GLN A 68 21.017 15.337 27.767 1.00 20.00 C ATOM 434 OE1 GLN A 68 21.457 14.505 26.977 1.00 20.00 O ATOM 435 NE2 GLN A 68 20.217 14.986 28.772 1.00 20.00 N ATOM 0 H GLN A 68 19.889 15.788 24.433 1.00 20.00 H new ATOM 0 HA GLN A 68 19.444 18.139 26.134 1.00 20.00 H new ATOM 0 HB2 GLN A 68 22.065 16.672 25.626 1.00 20.00 H new ATOM 0 HB3 GLN A 68 21.985 18.313 26.237 1.00 20.00 H new ATOM 0 HG2 GLN A 68 22.341 16.982 28.141 1.00 20.00 H new ATOM 0 HG3 GLN A 68 20.640 17.402 28.205 1.00 20.00 H new ATOM 0 HE21 GLN A 68 19.864 15.695 29.415 1.00 20.00 H new ATOM 0 HE22 GLN A 68 19.957 14.008 28.899 1.00 20.00 H new ATOM 444 N LYS A 69 20.542 19.661 24.342 1.00 20.00 N ATOM 445 CA LYS A 69 20.816 20.652 23.306 1.00 20.00 C ATOM 446 C LYS A 69 21.888 21.641 23.788 1.00 20.00 C ATOM 447 O LYS A 69 22.158 21.734 24.987 1.00 20.00 O ATOM 448 CB LYS A 69 19.513 21.391 22.957 1.00 20.00 C ATOM 449 CG LYS A 69 18.807 21.958 24.200 1.00 20.00 C ATOM 450 CD LYS A 69 17.720 22.964 23.819 1.00 20.00 C ATOM 451 CE LYS A 69 17.042 23.453 25.095 1.00 20.00 C ATOM 452 NZ LYS A 69 15.941 24.374 24.795 1.00 20.00 N ATOM 0 H LYS A 69 20.519 20.087 25.268 1.00 20.00 H new ATOM 0 HA LYS A 69 21.194 20.153 22.413 1.00 20.00 H new ATOM 0 HB2 LYS A 69 19.734 22.204 22.266 1.00 20.00 H new ATOM 0 HB3 LYS A 69 18.839 20.708 22.440 1.00 20.00 H new ATOM 0 HG2 LYS A 69 18.365 21.142 24.772 1.00 20.00 H new ATOM 0 HG3 LYS A 69 19.540 22.440 24.847 1.00 20.00 H new ATOM 0 HD2 LYS A 69 18.155 23.803 23.276 1.00 20.00 H new ATOM 0 HD3 LYS A 69 16.990 22.499 23.157 1.00 20.00 H new ATOM 0 HE2 LYS A 69 16.662 22.600 25.657 1.00 20.00 H new ATOM 0 HE3 LYS A 69 17.774 23.953 25.730 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 15.436 24.609 25.673 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 16.322 25.244 24.371 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 15.283 23.923 24.128 1.00 20.00 H new ATOM 466 N CYS A 70 22.460 22.419 22.858 1.00 20.00 N ATOM 467 CA CYS A 70 23.442 23.453 23.176 1.00 20.00 C ATOM 468 C CYS A 70 22.768 24.826 23.248 1.00 20.00 C ATOM 469 O CYS A 70 22.319 25.350 22.227 1.00 20.00 O ATOM 470 CB CYS A 70 24.592 23.443 22.165 1.00 20.00 C ATOM 471 SG CYS A 70 26.024 24.391 22.760 1.00 20.00 S ATOM 0 H CYS A 70 22.251 22.345 21.862 1.00 20.00 H new ATOM 0 HA CYS A 70 23.868 23.238 24.156 1.00 20.00 H new ATOM 0 HB2 CYS A 70 24.894 22.414 21.968 1.00 20.00 H new ATOM 0 HB3 CYS A 70 24.248 23.861 21.219 1.00 20.00 H new ATOM 0 HG CYS A 70 25.618 25.516 23.269 1.00 20.00 H new ATOM 476 N CYS A 71 22.716 25.403 24.458 1.00 20.00 N ATOM 477 CA CYS A 71 22.299 26.783 24.680 1.00 20.00 C ATOM 478 C CYS A 71 23.373 27.758 24.178 1.00 20.00 C ATOM 479 O CYS A 71 24.562 27.435 24.178 1.00 20.00 O ATOM 480 CB CYS A 71 22.095 27.023 26.181 1.00 20.00 C ATOM 481 SG CYS A 71 20.889 25.987 27.053 1.00 20.00 S ATOM 0 H CYS A 71 22.967 24.912 25.316 1.00 20.00 H new ATOM 0 HA CYS A 71 21.370 26.951 24.136 1.00 20.00 H new ATOM 0 HB2 CYS A 71 23.060 26.899 26.673 1.00 20.00 H new ATOM 0 HB3 CYS A 71 21.800 28.064 26.316 1.00 20.00 H new