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 Set 1.1: A 48 ASN : amide:sc= 0.673 K(o=1.1,f=-1.2) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 166:sc= 0.434 (180deg=-0.479) USER MOD Single : A 53 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.31) USER MOD Single : A 55 LYS NZ :NH3+ -119:sc= -0.0147 (180deg=-1.09) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 61 SER OG : rot -46:sc= 0.245 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= -0.965 K(o=-0.97,f=-3.7) USER MOD Single : A 70 CYS SG : rot 12:sc= 0.196 USER MOD ----------------------------------------------------------------- ATOM 116 N GLU A 46 25.514 27.621 25.218 1.00 20.00 N ATOM 117 CA GLU A 46 25.581 26.599 26.258 1.00 20.00 C ATOM 118 C GLU A 46 24.574 25.483 25.987 1.00 20.00 C ATOM 119 O GLU A 46 23.519 25.708 25.396 1.00 20.00 O ATOM 120 CB GLU A 46 25.309 27.226 27.633 1.00 20.00 C ATOM 121 CG GLU A 46 26.463 28.112 28.116 1.00 20.00 C ATOM 122 CD GLU A 46 26.116 28.781 29.445 1.00 20.00 C ATOM 123 OE1 GLU A 46 26.616 28.303 30.488 1.00 20.00 O ATOM 124 OE2 GLU A 46 25.332 29.757 29.408 1.00 20.00 O ATOM 0 HA GLU A 46 26.583 26.170 26.252 1.00 20.00 H new ATOM 0 HB2 GLU A 46 24.396 27.820 27.583 1.00 20.00 H new ATOM 0 HB3 GLU A 46 25.135 26.434 28.361 1.00 20.00 H new ATOM 0 HG2 GLU A 46 27.365 27.511 28.231 1.00 20.00 H new ATOM 0 HG3 GLU A 46 26.681 28.873 27.367 1.00 20.00 H new ATOM 131 N CYS A 47 24.914 24.279 26.452 1.00 20.00 N ATOM 132 CA CYS A 47 24.130 23.066 26.305 1.00 20.00 C ATOM 133 C CYS A 47 23.079 23.010 27.419 1.00 20.00 C ATOM 134 O CYS A 47 23.417 22.758 28.577 1.00 20.00 O ATOM 135 CB CYS A 47 25.091 21.873 26.337 1.00 20.00 C ATOM 136 SG CYS A 47 24.407 20.306 25.757 1.00 20.00 S ATOM 0 H CYS A 47 25.783 24.124 26.963 1.00 20.00 H new ATOM 0 HA CYS A 47 23.592 23.043 25.357 1.00 20.00 H new ATOM 0 HB2 CYS A 47 25.963 22.115 25.730 1.00 20.00 H new ATOM 0 HB3 CYS A 47 25.442 21.739 27.360 1.00 20.00 H new ATOM 141 N ASN A 48 21.815 23.282 27.069 1.00 20.00 N ATOM 142 CA ASN A 48 20.679 23.338 27.993 1.00 20.00 C ATOM 143 C ASN A 48 19.486 22.514 27.467 1.00 20.00 C ATOM 144 O ASN A 48 19.423 22.231 26.269 1.00 20.00 O ATOM 145 CB ASN A 48 20.284 24.794 28.298 1.00 20.00 C ATOM 146 CG ASN A 48 20.248 25.725 27.091 1.00 20.00 C ATOM 147 OD1 ASN A 48 19.316 25.710 26.290 1.00 20.00 O ATOM 148 ND2 ASN A 48 21.275 26.561 26.996 1.00 20.00 N ATOM 0 H ASN A 48 21.548 23.475 26.104 1.00 20.00 H new ATOM 0 HA ASN A 48 20.989 22.884 28.934 1.00 20.00 H new ATOM 0 HB2 ASN A 48 19.300 24.796 28.767 1.00 20.00 H new ATOM 0 HB3 ASN A 48 20.986 25.198 29.028 1.00 20.00 H new ATOM 0 HD21 ASN A 48 21.316 27.233 26.230 1.00 20.00 H new ATOM 0 HD22 ASN A 48 22.023 26.531 27.689 1.00 20.00 H new ATOM 155 N PRO A 49 18.516 22.146 28.331 1.00 20.00 N ATOM 156 CA PRO A 49 17.287 21.480 27.908 1.00 20.00 C ATOM 157 C PRO A 49 16.393 22.401 27.069 1.00 20.00 C ATOM 158 O PRO A 49 16.586 23.616 27.013 1.00 20.00 O ATOM 159 CB PRO A 49 16.592 21.035 29.201 1.00 20.00 C ATOM 160 CG PRO A 49 17.096 22.029 30.240 1.00 20.00 C ATOM 161 CD PRO A 49 18.531 22.274 29.784 1.00 20.00 C ATOM 0 HA PRO A 49 17.503 20.631 27.259 1.00 20.00 H new ATOM 0 HB2 PRO A 49 15.507 21.071 29.105 1.00 20.00 H new ATOM 0 HB3 PRO A 49 16.855 20.011 29.465 1.00 20.00 H new ATOM 0 HG2 PRO A 49 16.508 22.947 30.244 1.00 20.00 H new ATOM 0 HG3 PRO A 49 17.054 21.619 31.249 1.00 20.00 H new ATOM 0 HD2 PRO A 49 18.873 23.264 30.085 1.00 20.00 H new ATOM 0 HD3 PRO A 49 19.212 21.551 30.233 1.00 20.00 H new ATOM 169 N LEU A 50 15.385 21.794 26.435 1.00 20.00 N ATOM 170 CA LEU A 50 14.357 22.460 25.640 1.00 20.00 C ATOM 171 C LEU A 50 13.524 23.419 26.500 1.00 20.00 C ATOM 172 O LEU A 50 13.131 24.486 26.027 1.00 20.00 O ATOM 173 CB LEU A 50 13.460 21.391 25.001 1.00 20.00 C ATOM 174 CG LEU A 50 14.220 20.453 24.037 1.00 20.00 C ATOM 175 CD1 LEU A 50 13.445 19.138 23.908 1.00 20.00 C ATOM 176 CD2 LEU A 50 14.414 21.097 22.660 1.00 20.00 C ATOM 0 H LEU A 50 15.261 20.782 26.465 1.00 20.00 H new ATOM 0 HA LEU A 50 14.835 23.056 24.862 1.00 20.00 H new ATOM 0 HB2 LEU A 50 12.999 20.795 25.789 1.00 20.00 H new ATOM 0 HB3 LEU A 50 12.652 21.882 24.458 1.00 20.00 H new ATOM 0 HG LEU A 50 15.212 20.261 24.446 1.00 20.00 H new ATOM 0 HD11 LEU A 50 13.974 18.469 23.229 1.00 20.00 H new ATOM 0 HD12 LEU A 50 13.360 18.668 24.888 1.00 20.00 H new ATOM 0 HD13 LEU A 50 12.449 19.340 23.515 1.00 20.00 H new ATOM 0 HD21 LEU A 50 14.952 20.408 22.009 1.00 20.00 H new ATOM 0 HD22 LEU A 50 13.441 21.323 22.224 1.00 20.00 H new ATOM 0 HD23 LEU A 50 14.987 22.018 22.767 1.00 20.00 H new ATOM 188 N ASP A 51 13.299 23.052 27.769 1.00 20.00 N ATOM 189 CA ASP A 51 12.664 23.878 28.792 1.00 20.00 C ATOM 190 C ASP A 51 13.676 24.853 29.428 1.00 20.00 C ATOM 191 O ASP A 51 13.942 24.793 30.631 1.00 20.00 O ATOM 192 CB ASP A 51 11.990 22.973 29.837 1.00 20.00 C ATOM 193 CG ASP A 51 10.821 22.195 29.239 1.00 20.00 C ATOM 194 OD1 ASP A 51 11.060 21.072 28.744 1.00 20.00 O ATOM 195 OD2 ASP A 51 9.699 22.749 29.263 1.00 20.00 O ATOM 0 H ASP A 51 13.567 22.133 28.120 1.00 20.00 H new ATOM 0 HA ASP A 51 11.893 24.495 28.330 1.00 20.00 H new ATOM 0 HB2 ASP A 51 12.723 22.275 30.241 1.00 20.00 H new ATOM 0 HB3 ASP A 51 11.635 23.580 30.670 1.00 20.00 H new ATOM 200 N ARG A 52 14.223 25.773 28.618 1.00 20.00 N ATOM 201 CA ARG A 52 15.107 26.849 29.060 1.00 20.00 C ATOM 202 C ARG A 52 14.824 28.159 28.316 1.00 20.00 C ATOM 203 O ARG A 52 14.282 28.151 27.208 1.00 20.00 O ATOM 204 CB ARG A 52 16.565 26.413 28.843 1.00 20.00 C ATOM 205 CG ARG A 52 17.529 27.070 29.828 1.00 20.00 C ATOM 206 CD ARG A 52 17.376 26.410 31.205 1.00 20.00 C ATOM 207 NE ARG A 52 18.498 26.766 32.070 1.00 20.00 N ATOM 208 CZ ARG A 52 18.462 27.043 33.381 1.00 20.00 C ATOM 209 NH1 ARG A 52 17.329 27.006 34.085 1.00 20.00 N ATOM 210 NH2 ARG A 52 19.591 27.364 34.005 1.00 20.00 N ATOM 0 H ARG A 52 14.055 25.784 27.612 1.00 20.00 H new ATOM 0 HA ARG A 52 14.926 27.038 30.118 1.00 20.00 H new ATOM 0 HB2 ARG A 52 16.634 25.330 28.941 1.00 20.00 H new ATOM 0 HB3 ARG A 52 16.867 26.661 27.825 1.00 20.00 H new ATOM 0 HG2 ARG A 52 18.555 26.966 29.474 1.00 20.00 H new ATOM 0 HG3 ARG A 52 17.323 28.138 29.899 1.00 20.00 H new ATOM 0 HD2 ARG A 52 16.440 26.727 31.665 1.00 20.00 H new ATOM 0 HD3 ARG A 52 17.325 25.327 31.092 1.00 20.00 H new ATOM 0 HE ARG A 52 19.415 26.809 31.625 1.00 20.00 H new ATOM 0 HH11 ARG A 52 16.451 26.761 33.627 1.00 20.00 H new ATOM 0 HH12 ARG A 52 17.340 27.223 35.082 1.00 20.00 H new ATOM 0 HH21 ARG A 52 20.469 27.397 33.486 1.00 20.00 H new ATOM 0 HH22 ARG A 52 19.580 27.577 35.002 1.00 20.00 H new ATOM 224 N GLN A 53 15.255 29.277 28.919 1.00 20.00 N ATOM 225 CA GLN A 53 15.112 30.635 28.406 1.00 20.00 C ATOM 226 C GLN A 53 16.189 30.999 27.363 1.00 20.00 C ATOM 227 O GLN A 53 16.842 32.038 27.466 1.00 20.00 O ATOM 228 CB GLN A 53 15.065 31.628 29.586 1.00 20.00 C ATOM 229 CG GLN A 53 13.860 31.449 30.531 1.00 20.00 C ATOM 230 CD GLN A 53 12.494 31.721 29.893 1.00 20.00 C ATOM 231 OE1 GLN A 53 12.374 32.424 28.892 1.00 20.00 O ATOM 232 NE2 GLN A 53 11.438 31.166 30.485 1.00 20.00 N ATOM 0 H GLN A 53 15.734 29.251 29.819 1.00 20.00 H new ATOM 0 HA GLN A 53 14.169 30.698 27.863 1.00 20.00 H new ATOM 0 HB2 GLN A 53 15.982 31.526 30.166 1.00 20.00 H new ATOM 0 HB3 GLN A 53 15.050 32.643 29.189 1.00 20.00 H new ATOM 0 HG2 GLN A 53 13.868 30.430 30.917 1.00 20.00 H new ATOM 0 HG3 GLN A 53 13.985 32.114 31.385 1.00 20.00 H new ATOM 0 HE21 GLN A 53 11.565 30.587 31.315 1.00 20.00 H new ATOM 0 HE22 GLN A 53 10.503 31.320 30.109 1.00 20.00 H new ATOM 241 N CYS A 54 16.341 30.160 26.328 1.00 20.00 N ATOM 242 CA CYS A 54 17.105 30.439 25.111 1.00 20.00 C ATOM 243 C CYS A 54 16.310 30.004 23.874 1.00 20.00 C ATOM 244 O CYS A 54 15.336 29.255 23.964 1.00 20.00 O ATOM 245 CB CYS A 54 18.474 29.734 25.135 1.00 20.00 C ATOM 246 SG CYS A 54 19.818 30.665 25.905 1.00 20.00 S ATOM 0 H CYS A 54 15.917 29.232 26.319 1.00 20.00 H new ATOM 0 HA CYS A 54 17.280 31.514 25.065 1.00 20.00 H new ATOM 0 HB2 CYS A 54 18.365 28.786 25.661 1.00 20.00 H new ATOM 0 HB3 CYS A 54 18.760 29.499 24.110 1.00 20.00 H new ATOM 251 N LYS A 55 16.789 30.449 22.706 1.00 20.00 N ATOM 252 CA LYS A 55 16.368 30.020 21.375 1.00 20.00 C ATOM 253 C LYS A 55 16.736 28.543 21.143 1.00 20.00 C ATOM 254 O LYS A 55 17.429 27.926 21.954 1.00 20.00 O ATOM 255 CB LYS A 55 17.067 30.937 20.351 1.00 20.00 C ATOM 256 CG LYS A 55 16.348 31.125 19.005 1.00 20.00 C ATOM 257 CD LYS A 55 15.434 32.360 18.919 1.00 20.00 C ATOM 258 CE LYS A 55 14.171 32.280 19.784 1.00 20.00 C ATOM 259 NZ LYS A 55 14.415 32.683 21.179 1.00 20.00 N ATOM 0 H LYS A 55 17.522 31.158 22.667 1.00 20.00 H new ATOM 0 HA LYS A 55 15.286 30.098 21.268 1.00 20.00 H new ATOM 0 HB2 LYS A 55 17.203 31.918 20.807 1.00 20.00 H new ATOM 0 HB3 LYS A 55 18.061 30.536 20.155 1.00 20.00 H new ATOM 0 HG2 LYS A 55 17.098 31.192 18.217 1.00 20.00 H new ATOM 0 HG3 LYS A 55 15.751 30.236 18.803 1.00 20.00 H new ATOM 0 HD2 LYS A 55 16.006 33.240 19.214 1.00 20.00 H new ATOM 0 HD3 LYS A 55 15.138 32.505 17.880 1.00 20.00 H new ATOM 0 HE2 LYS A 55 13.400 32.919 19.354 1.00 20.00 H new ATOM 0 HE3 LYS A 55 13.786 31.260 19.766 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 14.205 31.885 21.813 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 15.411 32.961 21.291 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 13.802 33.487 21.420 1.00 20.00 H new ATOM 273 N GLU A 56 16.284 27.994 20.011 1.00 20.00 N ATOM 274 CA GLU A 56 16.557 26.642 19.543 1.00 20.00 C ATOM 275 C GLU A 56 17.157 26.724 18.137 1.00 20.00 C ATOM 276 O GLU A 56 16.445 26.931 17.154 1.00 20.00 O ATOM 277 CB GLU A 56 15.273 25.796 19.627 1.00 20.00 C ATOM 278 CG GLU A 56 15.493 24.336 19.199 1.00 20.00 C ATOM 279 CD GLU A 56 14.298 23.422 19.503 1.00 20.00 C ATOM 280 OE1 GLU A 56 13.179 23.940 19.717 1.00 20.00 O ATOM 281 OE2 GLU A 56 14.514 22.190 19.503 1.00 20.00 O ATOM 0 H GLU A 56 15.687 28.513 19.367 1.00 20.00 H new ATOM 0 HA GLU A 56 17.289 26.139 20.174 1.00 20.00 H new ATOM 0 HB2 GLU A 56 14.896 25.817 20.649 1.00 20.00 H new ATOM 0 HB3 GLU A 56 14.506 26.244 18.995 1.00 20.00 H new ATOM 0 HG2 GLU A 56 15.700 24.307 18.129 1.00 20.00 H new ATOM 0 HG3 GLU A 56 16.376 23.946 19.705 1.00 20.00 H new ATOM 288 N LEU A 57 18.486 26.568 18.079 1.00 20.00 N ATOM 289 CA LEU A 57 19.332 26.488 16.888 1.00 20.00 C ATOM 290 C LEU A 57 19.018 25.229 16.050 1.00 20.00 C ATOM 291 O LEU A 57 18.101 24.471 16.370 1.00 20.00 O ATOM 292 CB LEU A 57 20.807 26.535 17.368 1.00 20.00 C ATOM 293 CG LEU A 57 21.416 27.951 17.487 1.00 20.00 C ATOM 294 CD1 LEU A 57 21.792 28.514 16.111 1.00 20.00 C ATOM 295 CD2 LEU A 57 20.524 28.967 18.212 1.00 20.00 C ATOM 0 H LEU A 57 19.038 26.489 18.933 1.00 20.00 H new ATOM 0 HA LEU A 57 19.138 27.327 16.220 1.00 20.00 H new ATOM 0 HB2 LEU A 57 20.872 26.046 18.340 1.00 20.00 H new ATOM 0 HB3 LEU A 57 21.416 25.952 16.677 1.00 20.00 H new ATOM 0 HG LEU A 57 22.307 27.813 18.099 1.00 20.00 H new ATOM 0 HD11 LEU A 57 22.217 29.511 16.229 1.00 20.00 H new ATOM 0 HD12 LEU A 57 22.525 27.860 15.638 1.00 20.00 H new ATOM 0 HD13 LEU A 57 20.901 28.572 15.486 1.00 20.00 H new ATOM 0 HD21 LEU A 57 21.029 29.932 18.250 1.00 20.00 H new ATOM 0 HD22 LEU A 57 19.581 29.071 17.675 1.00 20.00 H new ATOM 0 HD23 LEU A 57 20.328 28.620 19.226 1.00 20.00 H new ATOM 307 N GLN A 58 19.783 25.012 14.969 1.00 20.00 N ATOM 308 CA GLN A 58 19.716 23.816 14.128 1.00 20.00 C ATOM 309 C GLN A 58 21.073 23.106 14.035 1.00 20.00 C ATOM 310 O GLN A 58 21.113 21.883 14.170 1.00 20.00 O ATOM 311 CB GLN A 58 19.107 24.169 12.759 1.00 20.00 C ATOM 312 CG GLN A 58 19.941 25.126 11.889 1.00 20.00 C ATOM 313 CD GLN A 58 19.266 25.513 10.571 1.00 20.00 C ATOM 314 OE1 GLN A 58 18.208 25.005 10.207 1.00 20.00 O ATOM 315 NE2 GLN A 58 19.878 26.444 9.841 1.00 20.00 N ATOM 0 H GLN A 58 20.482 25.683 14.651 1.00 20.00 H new ATOM 0 HA GLN A 58 19.051 23.090 14.595 1.00 20.00 H new ATOM 0 HB2 GLN A 58 18.948 23.245 12.203 1.00 20.00 H new ATOM 0 HB3 GLN A 58 18.126 24.616 12.922 1.00 20.00 H new ATOM 0 HG2 GLN A 58 20.149 26.032 12.459 1.00 20.00 H new ATOM 0 HG3 GLN A 58 20.901 24.659 11.671 1.00 20.00 H new ATOM 0 HE21 GLN A 58 20.756 26.851 10.165 1.00 20.00 H new ATOM 0 HE22 GLN A 58 19.469 26.750 8.958 1.00 20.00 H new ATOM 324 N ALA A 59 22.173 23.848 13.832 1.00 20.00 N ATOM 325 CA ALA A 59 23.509 23.280 13.634 1.00 20.00 C ATOM 326 C ALA A 59 24.201 22.900 14.951 1.00 20.00 C ATOM 327 O ALA A 59 24.969 21.938 14.979 1.00 20.00 O ATOM 328 CB ALA A 59 24.372 24.285 12.865 1.00 20.00 C ATOM 0 H ALA A 59 22.156 24.867 13.801 1.00 20.00 H new ATOM 0 HA ALA A 59 23.391 22.358 13.065 1.00 20.00 H new ATOM 0 HB1 ALA A 59 25.368 23.869 12.714 1.00 20.00 H new ATOM 0 HB2 ALA A 59 23.915 24.492 11.897 1.00 20.00 H new ATOM 0 HB3 ALA A 59 24.448 25.211 13.436 1.00 20.00 H new ATOM 334 N GLU A 60 23.919 23.644 16.031 1.00 20.00 N ATOM 335 CA GLU A 60 24.488 23.446 17.366 1.00 20.00 C ATOM 336 C GLU A 60 23.503 22.719 18.299 1.00 20.00 C ATOM 337 O GLU A 60 23.927 22.001 19.204 1.00 20.00 O ATOM 338 CB GLU A 60 24.886 24.823 17.909 1.00 20.00 C ATOM 339 CG GLU A 60 25.811 24.733 19.132 1.00 20.00 C ATOM 340 CD GLU A 60 26.332 26.104 19.572 1.00 20.00 C ATOM 341 OE1 GLU A 60 27.482 26.148 20.058 1.00 20.00 O ATOM 342 OE2 GLU A 60 25.597 27.102 19.402 1.00 20.00 O ATOM 0 H GLU A 60 23.266 24.426 15.994 1.00 20.00 H new ATOM 0 HA GLU A 60 25.367 22.804 17.310 1.00 20.00 H new ATOM 0 HB2 GLU A 60 25.385 25.389 17.122 1.00 20.00 H new ATOM 0 HB3 GLU A 60 23.987 25.377 18.179 1.00 20.00 H new ATOM 0 HG2 GLU A 60 25.272 24.270 19.958 1.00 20.00 H new ATOM 0 HG3 GLU A 60 26.655 24.084 18.899 1.00 20.00 H new ATOM 349 N SER A 61 22.195 22.837 18.016 1.00 20.00 N ATOM 350 CA SER A 61 21.106 22.044 18.589 1.00 20.00 C ATOM 351 C SER A 61 21.084 20.593 18.054 1.00 20.00 C ATOM 352 O SER A 61 20.096 19.881 18.238 1.00 20.00 O ATOM 353 CB SER A 61 19.797 22.771 18.268 1.00 20.00 C ATOM 354 OG SER A 61 18.710 22.271 19.016 1.00 20.00 O ATOM 0 H SER A 61 21.856 23.526 17.345 1.00 20.00 H new ATOM 0 HA SER A 61 21.248 21.955 19.666 1.00 20.00 H new ATOM 0 HB2 SER A 61 19.916 23.835 18.471 1.00 20.00 H new ATOM 0 HB3 SER A 61 19.580 22.671 17.204 1.00 20.00 H new ATOM 0 HG SER A 61 18.717 21.291 18.989 1.00 20.00 H new ATOM 360 N ALA A 62 22.156 20.160 17.373 1.00 20.00 N ATOM 361 CA ALA A 62 22.365 18.813 16.850 1.00 20.00 C ATOM 362 C ALA A 62 23.605 18.130 17.463 1.00 20.00 C ATOM 363 O ALA A 62 23.913 16.998 17.085 1.00 20.00 O ATOM 364 CB ALA A 62 22.462 18.893 15.320 1.00 20.00 C ATOM 0 H ALA A 62 22.940 20.779 17.164 1.00 20.00 H new ATOM 0 HA ALA A 62 21.517 18.190 17.133 1.00 20.00 H new ATOM 0 HB1 ALA A 62 22.618 17.894 14.913 1.00 20.00 H new ATOM 0 HB2 ALA A 62 21.538 19.308 14.918 1.00 20.00 H new ATOM 0 HB3 ALA A 62 23.299 19.534 15.041 1.00 20.00 H new ATOM 370 N SER A 63 24.309 18.795 18.398 1.00 20.00 N ATOM 371 CA SER A 63 25.619 18.381 18.911 1.00 20.00 C ATOM 372 C SER A 63 25.604 17.985 20.397 1.00 20.00 C ATOM 373 O SER A 63 26.512 17.279 20.836 1.00 20.00 O ATOM 374 CB SER A 63 26.621 19.517 18.674 1.00 20.00 C ATOM 375 OG SER A 63 26.762 19.792 17.295 1.00 20.00 O ATOM 0 H SER A 63 23.970 19.657 18.826 1.00 20.00 H new ATOM 0 HA SER A 63 25.912 17.482 18.369 1.00 20.00 H new ATOM 0 HB2 SER A 63 26.288 20.415 19.195 1.00 20.00 H new ATOM 0 HB3 SER A 63 27.589 19.246 19.095 1.00 20.00 H new ATOM 0 HG SER A 63 27.405 20.521 17.171 1.00 20.00 H new ATOM 381 N CYS A 64 24.577 18.389 21.162 1.00 20.00 N ATOM 382 CA CYS A 64 24.406 18.049 22.577 1.00 20.00 C ATOM 383 C CYS A 64 23.880 16.621 22.819 1.00 20.00 C ATOM 384 O CYS A 64 24.001 16.135 23.944 1.00 20.00 O ATOM 385 CB CYS A 64 23.433 19.055 23.206 1.00 20.00 C ATOM 386 SG CYS A 64 24.133 20.623 23.763 1.00 20.00 S ATOM 0 H CYS A 64 23.825 18.976 20.801 1.00 20.00 H new ATOM 0 HA CYS A 64 25.394 18.094 23.036 1.00 20.00 H new ATOM 0 HB2 CYS A 64 22.650 19.271 22.479 1.00 20.00 H new ATOM 0 HB3 CYS A 64 22.952 18.575 24.059 1.00 20.00 H new ATOM 391 N GLY A 65 23.300 15.957 21.804 1.00 20.00 N ATOM 392 CA GLY A 65 22.660 14.647 21.923 1.00 20.00 C ATOM 393 C GLY A 65 21.180 14.726 21.547 1.00 20.00 C ATOM 394 O GLY A 65 20.847 15.161 20.445 1.00 20.00 O ATOM 0 H GLY A 65 23.266 16.331 20.856 1.00 20.00 H new ATOM 0 HA2 GLY A 65 23.166 13.931 21.276 1.00 20.00 H new ATOM 0 HA3 GLY A 65 22.761 14.280 22.944 1.00 20.00 H new ATOM 398 N LYS A 66 20.302 14.300 22.467 1.00 20.00 N ATOM 399 CA LYS A 66 18.843 14.351 22.345 1.00 20.00 C ATOM 400 C LYS A 66 18.225 14.977 23.606 1.00 20.00 C ATOM 401 O LYS A 66 18.823 14.932 24.683 1.00 20.00 O ATOM 402 CB LYS A 66 18.262 12.943 22.111 1.00 20.00 C ATOM 403 CG LYS A 66 18.683 12.251 20.798 1.00 20.00 C ATOM 404 CD LYS A 66 19.957 11.390 20.884 1.00 20.00 C ATOM 405 CE LYS A 66 19.765 10.166 21.783 1.00 20.00 C ATOM 406 NZ LYS A 66 21.001 9.376 21.895 1.00 20.00 N ATOM 0 H LYS A 66 20.605 13.894 23.352 1.00 20.00 H new ATOM 0 HA LYS A 66 18.594 14.971 21.484 1.00 20.00 H new ATOM 0 HB2 LYS A 66 18.556 12.306 22.945 1.00 20.00 H new ATOM 0 HB3 LYS A 66 17.174 13.012 22.130 1.00 20.00 H new ATOM 0 HG2 LYS A 66 17.861 11.620 20.460 1.00 20.00 H new ATOM 0 HG3 LYS A 66 18.833 13.016 20.036 1.00 20.00 H new ATOM 0 HD2 LYS A 66 20.242 11.064 19.884 1.00 20.00 H new ATOM 0 HD3 LYS A 66 20.778 11.996 21.267 1.00 20.00 H new ATOM 0 HE2 LYS A 66 19.448 10.489 22.775 1.00 20.00 H new ATOM 0 HE3 LYS A 66 18.968 9.540 21.381 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 20.834 8.555 22.511 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 21.290 9.048 20.951 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 21.755 9.966 22.302 1.00 20.00 H new ATOM 420 N GLY A 67 17.023 15.559 23.464 1.00 20.00 N ATOM 421 CA GLY A 67 16.315 16.268 24.531 1.00 20.00 C ATOM 422 C GLY A 67 16.933 17.630 24.876 1.00 20.00 C ATOM 423 O GLY A 67 16.843 18.062 26.024 1.00 20.00 O ATOM 0 H GLY A 67 16.509 15.547 22.583 1.00 20.00 H new ATOM 0 HA2 GLY A 67 15.277 16.414 24.233 1.00 20.00 H new ATOM 0 HA3 GLY A 67 16.305 15.645 25.426 1.00 20.00 H new ATOM 427 N GLN A 68 17.594 18.273 23.903 1.00 20.00 N ATOM 428 CA GLN A 68 18.527 19.381 24.087 1.00 20.00 C ATOM 429 C GLN A 68 18.311 20.509 23.073 1.00 20.00 C ATOM 430 O GLN A 68 17.651 20.325 22.049 1.00 20.00 O ATOM 431 CB GLN A 68 19.965 18.847 24.019 1.00 20.00 C ATOM 432 CG GLN A 68 20.243 17.951 22.804 1.00 20.00 C ATOM 433 CD GLN A 68 20.190 18.647 21.440 1.00 20.00 C ATOM 434 OE1 GLN A 68 20.692 19.753 21.262 1.00 20.00 O ATOM 435 NE2 GLN A 68 19.581 17.998 20.451 1.00 20.00 N ATOM 0 H GLN A 68 17.484 18.018 22.921 1.00 20.00 H new ATOM 0 HA GLN A 68 18.342 19.818 25.068 1.00 20.00 H new ATOM 0 HB2 GLN A 68 20.654 19.691 24.000 1.00 20.00 H new ATOM 0 HB3 GLN A 68 20.176 18.284 24.928 1.00 20.00 H new ATOM 0 HG2 GLN A 68 21.229 17.502 22.924 1.00 20.00 H new ATOM 0 HG3 GLN A 68 19.520 17.136 22.804 1.00 20.00 H new ATOM 0 HE21 GLN A 68 19.170 17.080 20.620 1.00 20.00 H new ATOM 0 HE22 GLN A 68 19.525 18.419 19.523 1.00 20.00 H new ATOM 444 N LYS A 69 18.944 21.658 23.343 1.00 20.00 N ATOM 445 CA LYS A 69 19.165 22.752 22.402 1.00 20.00 C ATOM 446 C LYS A 69 20.368 23.611 22.841 1.00 20.00 C ATOM 447 O LYS A 69 20.986 23.350 23.876 1.00 20.00 O ATOM 448 CB LYS A 69 17.873 23.576 22.247 1.00 20.00 C ATOM 449 CG LYS A 69 17.352 24.128 23.580 1.00 20.00 C ATOM 450 CD LYS A 69 16.123 25.017 23.359 1.00 20.00 C ATOM 451 CE LYS A 69 15.709 25.713 24.657 1.00 20.00 C ATOM 452 NZ LYS A 69 16.697 26.715 25.077 1.00 20.00 N ATOM 0 H LYS A 69 19.331 21.854 24.266 1.00 20.00 H new ATOM 0 HA LYS A 69 19.414 22.346 21.421 1.00 20.00 H new ATOM 0 HB2 LYS A 69 18.057 24.405 21.564 1.00 20.00 H new ATOM 0 HB3 LYS A 69 17.103 22.953 21.792 1.00 20.00 H new ATOM 0 HG2 LYS A 69 17.095 23.303 24.244 1.00 20.00 H new ATOM 0 HG3 LYS A 69 18.137 24.701 24.073 1.00 20.00 H new ATOM 0 HD2 LYS A 69 16.342 25.764 22.596 1.00 20.00 H new ATOM 0 HD3 LYS A 69 15.296 24.413 22.986 1.00 20.00 H new ATOM 0 HE2 LYS A 69 14.740 26.193 24.519 1.00 20.00 H new ATOM 0 HE3 LYS A 69 15.587 24.970 25.445 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 16.283 27.324 25.811 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 17.537 26.235 25.458 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 16.971 27.296 24.259 1.00 20.00 H new ATOM 466 N CYS A 70 20.687 24.646 22.048 1.00 20.00 N ATOM 467 CA CYS A 70 21.701 25.650 22.365 1.00 20.00 C ATOM 468 C CYS A 70 21.188 27.068 22.059 1.00 20.00 C ATOM 469 O CYS A 70 20.253 27.232 21.276 1.00 20.00 O ATOM 470 CB CYS A 70 22.991 25.326 21.596 1.00 20.00 C ATOM 471 SG CYS A 70 24.499 25.940 22.392 1.00 20.00 S ATOM 0 H CYS A 70 20.233 24.807 21.149 1.00 20.00 H new ATOM 0 HA CYS A 70 21.919 25.622 23.433 1.00 20.00 H new ATOM 0 HB2 CYS A 70 23.069 24.245 21.478 1.00 20.00 H new ATOM 0 HB3 CYS A 70 22.922 25.752 20.595 1.00 20.00 H new ATOM 0 HG CYS A 70 24.223 26.334 23.600 1.00 20.00 H new ATOM 476 N CYS A 71 21.810 28.082 22.680 1.00 20.00 N ATOM 477 CA CYS A 71 21.478 29.505 22.551 1.00 20.00 C ATOM 478 C CYS A 71 22.071 30.124 21.264 1.00 20.00 C ATOM 479 O CYS A 71 22.928 29.515 20.621 1.00 20.00 O ATOM 480 CB CYS A 71 22.034 30.236 23.786 1.00 20.00 C ATOM 481 SG CYS A 71 21.500 29.612 25.412 1.00 20.00 S ATOM 0 H CYS A 71 22.593 27.923 23.314 1.00 20.00 H new ATOM 0 HA CYS A 71 20.395 29.611 22.486 1.00 20.00 H new ATOM 0 HB2 CYS A 71 23.122 30.194 23.746 1.00 20.00 H new ATOM 0 HB3 CYS A 71 21.753 31.287 23.715 1.00 20.00 H new