USER MOD reduce.3.24.130724 H: found=0, std=0, add=179, rem=0, adj=6 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= 0.149 K(o=0.31,f=-1.4) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -167:sc= 0.159 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00108) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 133:sc= 0.226 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0778) USER MOD Single : A 68 GLN : amide:sc= 0.0547 X(o=0.055,f=-0.029) USER MOD Single : A 70 CYS SG : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N GLU A 46 27.248 26.548 26.094 1.00 20.00 N ATOM 117 CA GLU A 46 27.450 25.243 26.725 1.00 20.00 C ATOM 118 C GLU A 46 26.208 24.363 26.559 1.00 20.00 C ATOM 119 O GLU A 46 25.129 24.843 26.203 1.00 20.00 O ATOM 120 CB GLU A 46 27.798 25.417 28.210 1.00 20.00 C ATOM 121 CG GLU A 46 29.210 25.984 28.415 1.00 20.00 C ATOM 122 CD GLU A 46 29.623 25.924 29.882 1.00 20.00 C ATOM 123 OE1 GLU A 46 29.385 26.928 30.589 1.00 20.00 O ATOM 124 OE2 GLU A 46 30.164 24.868 30.280 1.00 20.00 O ATOM 0 HA GLU A 46 28.285 24.746 26.231 1.00 20.00 H new ATOM 0 HB2 GLU A 46 27.071 26.082 28.676 1.00 20.00 H new ATOM 0 HB3 GLU A 46 27.719 24.454 28.715 1.00 20.00 H new ATOM 0 HG2 GLU A 46 29.922 25.421 27.811 1.00 20.00 H new ATOM 0 HG3 GLU A 46 29.244 27.016 28.067 1.00 20.00 H new ATOM 131 N CYS A 47 26.389 23.058 26.801 1.00 20.00 N ATOM 132 CA CYS A 47 25.361 22.045 26.641 1.00 20.00 C ATOM 133 C CYS A 47 24.439 22.041 27.869 1.00 20.00 C ATOM 134 O CYS A 47 24.874 21.700 28.971 1.00 20.00 O ATOM 135 CB CYS A 47 26.032 20.687 26.390 1.00 20.00 C ATOM 136 SG CYS A 47 24.993 19.484 25.526 1.00 20.00 S ATOM 0 H CYS A 47 27.280 22.678 27.121 1.00 20.00 H new ATOM 0 HA CYS A 47 24.732 22.264 25.778 1.00 20.00 H new ATOM 0 HB2 CYS A 47 26.940 20.847 25.809 1.00 20.00 H new ATOM 0 HB3 CYS A 47 26.336 20.264 27.347 1.00 20.00 H new ATOM 141 N ASN A 48 23.176 22.449 27.673 1.00 20.00 N ATOM 142 CA ASN A 48 22.156 22.618 28.714 1.00 20.00 C ATOM 143 C ASN A 48 20.984 21.649 28.470 1.00 20.00 C ATOM 144 O ASN A 48 20.792 21.211 27.334 1.00 20.00 O ATOM 145 CB ASN A 48 21.624 24.071 28.733 1.00 20.00 C ATOM 146 CG ASN A 48 22.596 25.137 28.226 1.00 20.00 C ATOM 147 OD1 ASN A 48 22.342 25.746 27.191 1.00 20.00 O ATOM 148 ND2 ASN A 48 23.698 25.379 28.936 1.00 20.00 N ATOM 0 H ASN A 48 22.824 22.680 26.744 1.00 20.00 H new ATOM 0 HA ASN A 48 22.617 22.399 29.677 1.00 20.00 H new ATOM 0 HB2 ASN A 48 20.717 24.115 28.129 1.00 20.00 H new ATOM 0 HB3 ASN A 48 21.339 24.321 29.755 1.00 20.00 H new ATOM 0 HD21 ASN A 48 24.361 26.089 28.623 1.00 20.00 H new ATOM 0 HD22 ASN A 48 23.879 24.854 29.792 1.00 20.00 H new ATOM 155 N PRO A 49 20.144 21.366 29.486 1.00 20.00 N ATOM 156 CA PRO A 49 18.903 20.625 29.296 1.00 20.00 C ATOM 157 C PRO A 49 17.879 21.457 28.513 1.00 20.00 C ATOM 158 O PRO A 49 17.909 22.690 28.523 1.00 20.00 O ATOM 159 CB PRO A 49 18.412 20.293 30.707 1.00 20.00 C ATOM 160 CG PRO A 49 18.969 21.433 31.553 1.00 20.00 C ATOM 161 CD PRO A 49 20.314 21.714 30.890 1.00 20.00 C ATOM 0 HA PRO A 49 19.052 19.720 28.707 1.00 20.00 H new ATOM 0 HB2 PRO A 49 17.324 20.252 30.754 1.00 20.00 H new ATOM 0 HB3 PRO A 49 18.782 19.325 31.044 1.00 20.00 H new ATOM 0 HG2 PRO A 49 18.318 22.307 31.535 1.00 20.00 H new ATOM 0 HG3 PRO A 49 19.085 21.143 32.597 1.00 20.00 H new ATOM 0 HD2 PRO A 49 20.594 22.761 31.002 1.00 20.00 H new ATOM 0 HD3 PRO A 49 21.107 21.121 31.347 1.00 20.00 H new ATOM 169 N LEU A 50 16.944 20.753 27.865 1.00 20.00 N ATOM 170 CA LEU A 50 15.842 21.328 27.086 1.00 20.00 C ATOM 171 C LEU A 50 14.890 22.147 27.961 1.00 20.00 C ATOM 172 O LEU A 50 14.280 23.099 27.477 1.00 20.00 O ATOM 173 CB LEU A 50 15.046 20.189 26.433 1.00 20.00 C ATOM 174 CG LEU A 50 15.865 19.284 25.492 1.00 20.00 C ATOM 175 CD1 LEU A 50 15.107 17.970 25.333 1.00 20.00 C ATOM 176 CD2 LEU A 50 16.103 19.931 24.132 1.00 20.00 C ATOM 0 H LEU A 50 16.934 19.733 27.869 1.00 20.00 H new ATOM 0 HA LEU A 50 16.273 21.991 26.336 1.00 20.00 H new ATOM 0 HB2 LEU A 50 14.610 19.572 27.219 1.00 20.00 H new ATOM 0 HB3 LEU A 50 14.218 20.620 25.870 1.00 20.00 H new ATOM 0 HG LEU A 50 16.850 19.115 25.927 1.00 20.00 H new ATOM 0 HD11 LEU A 50 15.663 17.307 24.671 1.00 20.00 H new ATOM 0 HD12 LEU A 50 14.992 17.496 26.308 1.00 20.00 H new ATOM 0 HD13 LEU A 50 14.123 18.167 24.907 1.00 20.00 H new ATOM 0 HD21 LEU A 50 16.684 19.255 23.504 1.00 20.00 H new ATOM 0 HD22 LEU A 50 15.145 20.136 23.654 1.00 20.00 H new ATOM 0 HD23 LEU A 50 16.650 20.864 24.264 1.00 20.00 H new ATOM 188 N ASP A 51 14.790 21.782 29.246 1.00 20.00 N ATOM 189 CA ASP A 51 14.017 22.474 30.272 1.00 20.00 C ATOM 190 C ASP A 51 14.413 23.952 30.424 1.00 20.00 C ATOM 191 O ASP A 51 13.558 24.770 30.761 1.00 20.00 O ATOM 192 CB ASP A 51 14.192 21.761 31.627 1.00 20.00 C ATOM 193 CG ASP A 51 13.821 20.276 31.578 1.00 20.00 C ATOM 194 OD1 ASP A 51 14.736 19.445 31.776 1.00 20.00 O ATOM 195 OD2 ASP A 51 12.623 19.989 31.361 1.00 20.00 O ATOM 0 H ASP A 51 15.269 20.958 29.610 1.00 20.00 H new ATOM 0 HA ASP A 51 12.975 22.446 29.954 1.00 20.00 H new ATOM 0 HB2 ASP A 51 15.228 21.860 31.951 1.00 20.00 H new ATOM 0 HB3 ASP A 51 13.575 22.259 32.375 1.00 20.00 H new ATOM 200 N ARG A 52 15.686 24.300 30.170 1.00 20.00 N ATOM 201 CA ARG A 52 16.210 25.659 30.241 1.00 20.00 C ATOM 202 C ARG A 52 15.780 26.460 29.006 1.00 20.00 C ATOM 203 O ARG A 52 15.926 25.979 27.883 1.00 20.00 O ATOM 204 CB ARG A 52 17.742 25.601 30.354 1.00 20.00 C ATOM 205 CG ARG A 52 18.368 26.941 30.743 1.00 20.00 C ATOM 206 CD ARG A 52 18.000 27.357 32.172 1.00 20.00 C ATOM 207 NE ARG A 52 18.966 28.340 32.666 1.00 20.00 N ATOM 208 CZ ARG A 52 18.835 29.146 33.728 1.00 20.00 C ATOM 209 NH1 ARG A 52 17.748 29.122 34.500 1.00 20.00 N ATOM 210 NH2 ARG A 52 19.819 29.991 34.031 1.00 20.00 N ATOM 0 H ARG A 52 16.394 23.616 29.902 1.00 20.00 H new ATOM 0 HA ARG A 52 15.808 26.163 31.120 1.00 20.00 H new ATOM 0 HB2 ARG A 52 18.017 24.850 31.095 1.00 20.00 H new ATOM 0 HB3 ARG A 52 18.158 25.276 29.401 1.00 20.00 H new ATOM 0 HG2 ARG A 52 19.452 26.874 30.654 1.00 20.00 H new ATOM 0 HG3 ARG A 52 18.038 27.711 30.046 1.00 20.00 H new ATOM 0 HD2 ARG A 52 16.995 27.780 32.190 1.00 20.00 H new ATOM 0 HD3 ARG A 52 17.990 26.483 32.824 1.00 20.00 H new ATOM 0 HE ARG A 52 19.838 28.420 32.142 1.00 20.00 H new ATOM 0 HH11 ARG A 52 16.986 28.477 34.289 1.00 20.00 H new ATOM 0 HH12 ARG A 52 17.678 29.748 35.302 1.00 20.00 H new ATOM 0 HH21 ARG A 52 20.661 30.020 33.457 1.00 20.00 H new ATOM 0 HH22 ARG A 52 19.730 30.609 34.837 1.00 20.00 H new ATOM 224 N GLN A 53 15.306 27.694 29.223 1.00 20.00 N ATOM 225 CA GLN A 53 14.817 28.597 28.184 1.00 20.00 C ATOM 226 C GLN A 53 15.873 29.650 27.834 1.00 20.00 C ATOM 227 O GLN A 53 16.095 30.586 28.601 1.00 20.00 O ATOM 228 CB GLN A 53 13.492 29.246 28.621 1.00 20.00 C ATOM 229 CG GLN A 53 12.343 28.231 28.768 1.00 20.00 C ATOM 230 CD GLN A 53 11.033 28.918 29.150 1.00 20.00 C ATOM 231 OE1 GLN A 53 10.335 29.461 28.297 1.00 20.00 O ATOM 232 NE2 GLN A 53 10.680 28.892 30.432 1.00 20.00 N ATOM 0 H GLN A 53 15.253 28.100 30.157 1.00 20.00 H new ATOM 0 HA GLN A 53 14.625 28.018 27.280 1.00 20.00 H new ATOM 0 HB2 GLN A 53 13.641 29.758 29.572 1.00 20.00 H new ATOM 0 HB3 GLN A 53 13.208 30.005 27.892 1.00 20.00 H new ATOM 0 HG2 GLN A 53 12.212 27.691 27.831 1.00 20.00 H new ATOM 0 HG3 GLN A 53 12.603 27.493 29.527 1.00 20.00 H new ATOM 0 HE21 GLN A 53 11.281 28.433 31.117 1.00 20.00 H new ATOM 0 HE22 GLN A 53 9.809 29.331 30.730 1.00 20.00 H new ATOM 241 N CYS A 54 16.513 29.488 26.669 1.00 20.00 N ATOM 242 CA CYS A 54 17.458 30.435 26.081 1.00 20.00 C ATOM 243 C CYS A 54 17.329 30.397 24.550 1.00 20.00 C ATOM 244 O CYS A 54 16.734 31.300 23.964 1.00 20.00 O ATOM 245 CB CYS A 54 18.880 30.102 26.555 1.00 20.00 C ATOM 246 SG CYS A 54 20.204 30.941 25.646 1.00 20.00 S ATOM 0 H CYS A 54 16.378 28.659 26.090 1.00 20.00 H new ATOM 0 HA CYS A 54 17.235 31.451 26.407 1.00 20.00 H new ATOM 0 HB2 CYS A 54 18.965 30.359 27.611 1.00 20.00 H new ATOM 0 HB3 CYS A 54 19.031 29.025 26.476 1.00 20.00 H new ATOM 251 N LYS A 55 17.893 29.359 23.918 1.00 20.00 N ATOM 252 CA LYS A 55 17.842 29.090 22.487 1.00 20.00 C ATOM 253 C LYS A 55 17.954 27.575 22.276 1.00 20.00 C ATOM 254 O LYS A 55 18.392 26.848 23.169 1.00 20.00 O ATOM 255 CB LYS A 55 18.986 29.858 21.789 1.00 20.00 C ATOM 256 CG LYS A 55 18.849 30.020 20.262 1.00 20.00 C ATOM 257 CD LYS A 55 17.720 30.979 19.857 1.00 20.00 C ATOM 258 CE LYS A 55 17.553 31.063 18.336 1.00 20.00 C ATOM 259 NZ LYS A 55 18.688 31.729 17.679 1.00 20.00 N ATOM 0 H LYS A 55 18.424 28.650 24.424 1.00 20.00 H new ATOM 0 HA LYS A 55 16.902 29.429 22.052 1.00 20.00 H new ATOM 0 HB2 LYS A 55 19.059 30.850 22.236 1.00 20.00 H new ATOM 0 HB3 LYS A 55 19.924 29.344 21.999 1.00 20.00 H new ATOM 0 HG2 LYS A 55 19.792 30.386 19.855 1.00 20.00 H new ATOM 0 HG3 LYS A 55 18.666 29.043 19.814 1.00 20.00 H new ATOM 0 HD2 LYS A 55 16.784 30.647 20.306 1.00 20.00 H new ATOM 0 HD3 LYS A 55 17.929 31.972 20.254 1.00 20.00 H new ATOM 0 HE2 LYS A 55 17.442 30.057 17.930 1.00 20.00 H new ATOM 0 HE3 LYS A 55 16.635 31.604 18.104 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 18.518 31.775 16.654 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 18.791 32.693 18.056 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 19.559 31.191 17.861 1.00 20.00 H new ATOM 273 N GLU A 56 17.571 27.109 21.084 1.00 20.00 N ATOM 274 CA GLU A 56 17.676 25.719 20.669 1.00 20.00 C ATOM 275 C GLU A 56 18.075 25.670 19.189 1.00 20.00 C ATOM 276 O GLU A 56 17.233 25.791 18.296 1.00 20.00 O ATOM 277 CB GLU A 56 16.353 24.997 20.977 1.00 20.00 C ATOM 278 CG GLU A 56 16.448 23.488 20.713 1.00 20.00 C ATOM 279 CD GLU A 56 15.217 22.769 21.270 1.00 20.00 C ATOM 280 OE1 GLU A 56 14.385 22.315 20.455 1.00 20.00 O ATOM 281 OE2 GLU A 56 15.123 22.654 22.511 1.00 20.00 O ATOM 0 H GLU A 56 17.169 27.710 20.365 1.00 20.00 H new ATOM 0 HA GLU A 56 18.453 25.193 21.224 1.00 20.00 H new ATOM 0 HB2 GLU A 56 16.081 25.167 22.019 1.00 20.00 H new ATOM 0 HB3 GLU A 56 15.557 25.423 20.366 1.00 20.00 H new ATOM 0 HG2 GLU A 56 16.530 23.305 19.642 1.00 20.00 H new ATOM 0 HG3 GLU A 56 17.351 23.088 21.175 1.00 20.00 H new ATOM 288 N LEU A 57 19.384 25.505 18.955 1.00 20.00 N ATOM 289 CA LEU A 57 20.007 25.342 17.642 1.00 20.00 C ATOM 290 C LEU A 57 19.530 24.047 16.959 1.00 20.00 C ATOM 291 O LEU A 57 18.841 23.229 17.566 1.00 20.00 O ATOM 292 CB LEU A 57 21.543 25.352 17.803 1.00 20.00 C ATOM 293 CG LEU A 57 22.218 26.730 18.000 1.00 20.00 C ATOM 294 CD1 LEU A 57 21.995 27.664 16.805 1.00 20.00 C ATOM 295 CD2 LEU A 57 21.823 27.443 19.301 1.00 20.00 C ATOM 0 H LEU A 57 20.066 25.481 19.713 1.00 20.00 H new ATOM 0 HA LEU A 57 19.710 26.172 17.001 1.00 20.00 H new ATOM 0 HB2 LEU A 57 21.799 24.724 18.657 1.00 20.00 H new ATOM 0 HB3 LEU A 57 21.979 24.884 16.921 1.00 20.00 H new ATOM 0 HG LEU A 57 23.280 26.498 18.075 1.00 20.00 H new ATOM 0 HD11 LEU A 57 22.488 28.618 16.992 1.00 20.00 H new ATOM 0 HD12 LEU A 57 22.412 27.210 15.906 1.00 20.00 H new ATOM 0 HD13 LEU A 57 20.926 27.829 16.667 1.00 20.00 H new ATOM 0 HD21 LEU A 57 22.339 28.401 19.362 1.00 20.00 H new ATOM 0 HD22 LEU A 57 20.746 27.610 19.312 1.00 20.00 H new ATOM 0 HD23 LEU A 57 22.103 26.825 20.154 1.00 20.00 H new ATOM 307 N GLN A 58 19.903 23.856 15.687 1.00 20.00 N ATOM 308 CA GLN A 58 19.543 22.688 14.888 1.00 20.00 C ATOM 309 C GLN A 58 20.726 21.739 14.695 1.00 20.00 C ATOM 310 O GLN A 58 20.565 20.533 14.878 1.00 20.00 O ATOM 311 CB GLN A 58 18.880 23.121 13.567 1.00 20.00 C ATOM 312 CG GLN A 58 19.734 24.027 12.666 1.00 20.00 C ATOM 313 CD GLN A 58 18.970 24.483 11.427 1.00 20.00 C ATOM 314 OE1 GLN A 58 17.968 25.186 11.524 1.00 20.00 O ATOM 315 NE2 GLN A 58 19.457 24.142 10.239 1.00 20.00 N ATOM 0 H GLN A 58 20.477 24.528 15.177 1.00 20.00 H new ATOM 0 HA GLN A 58 18.801 22.109 15.438 1.00 20.00 H new ATOM 0 HB2 GLN A 58 18.612 22.227 13.004 1.00 20.00 H new ATOM 0 HB3 GLN A 58 17.951 23.641 13.800 1.00 20.00 H new ATOM 0 HG2 GLN A 58 20.059 24.899 13.233 1.00 20.00 H new ATOM 0 HG3 GLN A 58 20.633 23.491 12.361 1.00 20.00 H new ATOM 0 HE21 GLN A 58 20.291 23.557 10.178 1.00 20.00 H new ATOM 0 HE22 GLN A 58 18.997 24.465 9.388 1.00 20.00 H new ATOM 324 N ALA A 59 21.906 22.272 14.362 1.00 20.00 N ATOM 325 CA ALA A 59 23.130 21.493 14.207 1.00 20.00 C ATOM 326 C ALA A 59 23.870 21.332 15.544 1.00 20.00 C ATOM 327 O ALA A 59 24.444 20.274 15.794 1.00 20.00 O ATOM 328 CB ALA A 59 24.028 22.174 13.172 1.00 20.00 C ATOM 0 H ALA A 59 22.035 23.269 14.191 1.00 20.00 H new ATOM 0 HA ALA A 59 22.867 20.492 13.864 1.00 20.00 H new ATOM 0 HB1 ALA A 59 24.945 21.598 13.051 1.00 20.00 H new ATOM 0 HB2 ALA A 59 23.505 22.230 12.217 1.00 20.00 H new ATOM 0 HB3 ALA A 59 24.274 23.181 13.510 1.00 20.00 H new ATOM 334 N GLU A 60 23.856 22.364 16.402 1.00 20.00 N ATOM 335 CA GLU A 60 24.624 22.383 17.646 1.00 20.00 C ATOM 336 C GLU A 60 23.883 21.681 18.793 1.00 20.00 C ATOM 337 O GLU A 60 24.528 21.106 19.667 1.00 20.00 O ATOM 338 CB GLU A 60 24.981 23.833 17.994 1.00 20.00 C ATOM 339 CG GLU A 60 26.136 23.921 18.998 1.00 20.00 C ATOM 340 CD GLU A 60 26.635 25.352 19.186 1.00 20.00 C ATOM 341 OE1 GLU A 60 25.782 26.251 19.366 1.00 20.00 O ATOM 342 OE2 GLU A 60 27.873 25.534 19.153 1.00 20.00 O ATOM 0 H GLU A 60 23.308 23.210 16.247 1.00 20.00 H new ATOM 0 HA GLU A 60 25.545 21.818 17.500 1.00 20.00 H new ATOM 0 HB2 GLU A 60 25.252 24.367 17.083 1.00 20.00 H new ATOM 0 HB3 GLU A 60 24.104 24.332 18.407 1.00 20.00 H new ATOM 0 HG2 GLU A 60 25.810 23.524 19.959 1.00 20.00 H new ATOM 0 HG3 GLU A 60 26.959 23.294 18.657 1.00 20.00 H new ATOM 349 N SER A 61 22.541 21.654 18.768 1.00 20.00 N ATOM 350 CA SER A 61 21.744 20.831 19.675 1.00 20.00 C ATOM 351 C SER A 61 21.818 19.349 19.295 1.00 20.00 C ATOM 352 O SER A 61 21.692 18.502 20.175 1.00 20.00 O ATOM 353 CB SER A 61 20.285 21.291 19.669 1.00 20.00 C ATOM 354 OG SER A 61 20.178 22.625 20.119 1.00 20.00 O ATOM 0 H SER A 61 21.983 22.205 18.116 1.00 20.00 H new ATOM 0 HA SER A 61 22.157 20.950 20.677 1.00 20.00 H new ATOM 0 HB2 SER A 61 19.877 21.208 18.662 1.00 20.00 H new ATOM 0 HB3 SER A 61 19.690 20.638 20.308 1.00 20.00 H new ATOM 0 HG SER A 61 19.596 23.129 19.513 1.00 20.00 H new ATOM 360 N ALA A 62 22.054 19.031 18.012 1.00 20.00 N ATOM 361 CA ALA A 62 22.304 17.673 17.547 1.00 20.00 C ATOM 362 C ALA A 62 23.719 17.188 17.899 1.00 20.00 C ATOM 363 O ALA A 62 23.906 15.984 18.070 1.00 20.00 O ATOM 364 CB ALA A 62 22.068 17.599 16.035 1.00 20.00 C ATOM 0 H ALA A 62 22.075 19.725 17.265 1.00 20.00 H new ATOM 0 HA ALA A 62 21.608 17.009 18.060 1.00 20.00 H new ATOM 0 HB1 ALA A 62 22.255 16.583 15.687 1.00 20.00 H new ATOM 0 HB2 ALA A 62 21.037 17.874 15.814 1.00 20.00 H new ATOM 0 HB3 ALA A 62 22.744 18.287 15.527 1.00 20.00 H new ATOM 370 N SER A 63 24.689 18.104 18.058 1.00 20.00 N ATOM 371 CA SER A 63 26.024 17.813 18.580 1.00 20.00 C ATOM 372 C SER A 63 25.973 17.516 20.090 1.00 20.00 C ATOM 373 O SER A 63 26.684 16.629 20.560 1.00 20.00 O ATOM 374 CB SER A 63 26.951 18.995 18.284 1.00 20.00 C ATOM 375 OG SER A 63 28.279 18.673 18.632 1.00 20.00 O ATOM 0 H SER A 63 24.558 19.087 17.820 1.00 20.00 H new ATOM 0 HA SER A 63 26.414 16.922 18.087 1.00 20.00 H new ATOM 0 HB2 SER A 63 26.897 19.253 17.226 1.00 20.00 H new ATOM 0 HB3 SER A 63 26.624 19.872 18.843 1.00 20.00 H new ATOM 0 HG SER A 63 28.862 19.436 18.437 1.00 20.00 H new ATOM 381 N CYS A 64 25.088 18.200 20.832 1.00 20.00 N ATOM 382 CA CYS A 64 24.702 17.873 22.206 1.00 20.00 C ATOM 383 C CYS A 64 23.917 16.552 22.302 1.00 20.00 C ATOM 384 O CYS A 64 23.843 15.975 23.386 1.00 20.00 O ATOM 385 CB CYS A 64 23.853 19.026 22.758 1.00 20.00 C ATOM 386 SG CYS A 64 24.765 20.297 23.668 1.00 20.00 S ATOM 0 H CYS A 64 24.606 19.025 20.475 1.00 20.00 H new ATOM 0 HA CYS A 64 25.611 17.740 22.793 1.00 20.00 H new ATOM 0 HB2 CYS A 64 23.333 19.502 21.927 1.00 20.00 H new ATOM 0 HB3 CYS A 64 23.090 18.610 23.416 1.00 20.00 H new ATOM 391 N GLY A 65 23.351 16.067 21.188 1.00 20.00 N ATOM 392 CA GLY A 65 22.538 14.862 21.100 1.00 20.00 C ATOM 393 C GLY A 65 21.074 15.098 21.481 1.00 20.00 C ATOM 394 O GLY A 65 20.724 16.129 22.060 1.00 20.00 O ATOM 0 H GLY A 65 23.457 16.531 20.286 1.00 20.00 H new ATOM 0 HA2 GLY A 65 22.585 14.473 20.083 1.00 20.00 H new ATOM 0 HA3 GLY A 65 22.959 14.098 21.754 1.00 20.00 H new ATOM 398 N LYS A 66 20.231 14.104 21.169 1.00 20.00 N ATOM 399 CA LYS A 66 18.812 14.076 21.509 1.00 20.00 C ATOM 400 C LYS A 66 18.608 13.977 23.030 1.00 20.00 C ATOM 401 O LYS A 66 18.932 12.963 23.650 1.00 20.00 O ATOM 402 CB LYS A 66 18.084 12.957 20.743 1.00 20.00 C ATOM 403 CG LYS A 66 18.749 11.567 20.788 1.00 20.00 C ATOM 404 CD LYS A 66 17.813 10.446 20.312 1.00 20.00 C ATOM 405 CE LYS A 66 16.619 10.207 21.243 1.00 20.00 C ATOM 406 NZ LYS A 66 17.031 9.750 22.577 1.00 20.00 N ATOM 0 H LYS A 66 20.532 13.275 20.657 1.00 20.00 H new ATOM 0 HA LYS A 66 18.365 15.019 21.194 1.00 20.00 H new ATOM 0 HB2 LYS A 66 17.074 12.868 21.142 1.00 20.00 H new ATOM 0 HB3 LYS A 66 17.989 13.259 19.700 1.00 20.00 H new ATOM 0 HG2 LYS A 66 19.644 11.577 20.165 1.00 20.00 H new ATOM 0 HG3 LYS A 66 19.072 11.356 21.807 1.00 20.00 H new ATOM 0 HD2 LYS A 66 17.443 10.691 19.316 1.00 20.00 H new ATOM 0 HD3 LYS A 66 18.383 9.522 20.222 1.00 20.00 H new ATOM 0 HE2 LYS A 66 16.046 11.129 21.339 1.00 20.00 H new ATOM 0 HE3 LYS A 66 15.956 9.465 20.797 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 16.190 9.489 23.130 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 17.654 8.922 22.483 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 17.542 10.514 23.063 1.00 20.00 H new ATOM 420 N GLY A 67 18.077 15.056 23.619 1.00 20.00 N ATOM 421 CA GLY A 67 17.820 15.194 25.050 1.00 20.00 C ATOM 422 C GLY A 67 18.450 16.448 25.663 1.00 20.00 C ATOM 423 O GLY A 67 18.091 16.804 26.783 1.00 20.00 O ATOM 0 H GLY A 67 17.806 15.884 23.089 1.00 20.00 H new ATOM 0 HA2 GLY A 67 16.743 15.218 25.217 1.00 20.00 H new ATOM 0 HA3 GLY A 67 18.203 14.314 25.567 1.00 20.00 H new ATOM 427 N GLN A 68 19.358 17.120 24.941 1.00 20.00 N ATOM 428 CA GLN A 68 20.044 18.346 25.346 1.00 20.00 C ATOM 429 C GLN A 68 20.041 19.350 24.178 1.00 20.00 C ATOM 430 O GLN A 68 19.667 19.014 23.053 1.00 20.00 O ATOM 431 CB GLN A 68 21.485 18.015 25.787 1.00 20.00 C ATOM 432 CG GLN A 68 21.619 17.085 27.003 1.00 20.00 C ATOM 433 CD GLN A 68 21.207 17.736 28.321 1.00 20.00 C ATOM 434 OE1 GLN A 68 21.903 18.605 28.836 1.00 20.00 O ATOM 435 NE2 GLN A 68 20.098 17.293 28.907 1.00 20.00 N ATOM 0 H GLN A 68 19.645 16.804 24.014 1.00 20.00 H new ATOM 0 HA GLN A 68 19.523 18.798 26.190 1.00 20.00 H new ATOM 0 HB2 GLN A 68 22.006 17.558 24.946 1.00 20.00 H new ATOM 0 HB3 GLN A 68 21.999 18.950 26.011 1.00 20.00 H new ATOM 0 HG2 GLN A 68 21.008 16.197 26.840 1.00 20.00 H new ATOM 0 HG3 GLN A 68 22.653 16.750 27.081 1.00 20.00 H new ATOM 0 HE21 GLN A 68 19.537 16.569 28.457 1.00 20.00 H new ATOM 0 HE22 GLN A 68 19.808 17.677 29.806 1.00 20.00 H new ATOM 444 N LYS A 69 20.463 20.591 24.450 1.00 20.00 N ATOM 445 CA LYS A 69 20.548 21.690 23.487 1.00 20.00 C ATOM 446 C LYS A 69 21.718 22.631 23.813 1.00 20.00 C ATOM 447 O LYS A 69 22.427 22.419 24.796 1.00 20.00 O ATOM 448 CB LYS A 69 19.186 22.417 23.407 1.00 20.00 C ATOM 449 CG LYS A 69 18.618 23.000 24.714 1.00 20.00 C ATOM 450 CD LYS A 69 19.378 24.228 25.222 1.00 20.00 C ATOM 451 CE LYS A 69 18.549 25.006 26.247 1.00 20.00 C ATOM 452 NZ LYS A 69 19.212 26.269 26.609 1.00 20.00 N ATOM 0 H LYS A 69 20.766 20.865 25.385 1.00 20.00 H new ATOM 0 HA LYS A 69 20.763 21.288 22.497 1.00 20.00 H new ATOM 0 HB2 LYS A 69 19.280 23.231 22.688 1.00 20.00 H new ATOM 0 HB3 LYS A 69 18.454 21.718 23.004 1.00 20.00 H new ATOM 0 HG2 LYS A 69 17.573 23.269 24.557 1.00 20.00 H new ATOM 0 HG3 LYS A 69 18.636 22.228 25.484 1.00 20.00 H new ATOM 0 HD2 LYS A 69 20.320 23.915 25.674 1.00 20.00 H new ATOM 0 HD3 LYS A 69 19.627 24.878 24.383 1.00 20.00 H new ATOM 0 HE2 LYS A 69 17.560 25.214 25.838 1.00 20.00 H new ATOM 0 HE3 LYS A 69 18.404 24.398 27.140 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 18.756 26.671 27.453 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 20.216 26.089 26.810 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 19.133 26.941 25.820 1.00 20.00 H new ATOM 466 N CYS A 70 21.896 23.682 22.999 1.00 20.00 N ATOM 467 CA CYS A 70 22.888 24.731 23.227 1.00 20.00 C ATOM 468 C CYS A 70 22.209 26.108 23.306 1.00 20.00 C ATOM 469 O CYS A 70 21.269 26.385 22.561 1.00 20.00 O ATOM 470 CB CYS A 70 23.935 24.691 22.108 1.00 20.00 C ATOM 471 SG CYS A 70 25.522 25.443 22.563 1.00 20.00 S ATOM 0 H CYS A 70 21.344 23.825 22.153 1.00 20.00 H new ATOM 0 HA CYS A 70 23.388 24.557 24.180 1.00 20.00 H new ATOM 0 HB2 CYS A 70 24.105 23.654 21.819 1.00 20.00 H new ATOM 0 HB3 CYS A 70 23.538 25.205 21.233 1.00 20.00 H new ATOM 0 HG CYS A 70 26.483 24.855 21.914 1.00 20.00 H new ATOM 476 N CYS A 71 22.714 26.974 24.197 1.00 20.00 N ATOM 477 CA CYS A 71 22.296 28.369 24.378 1.00 20.00 C ATOM 478 C CYS A 71 23.282 29.313 23.678 1.00 20.00 C ATOM 479 O CYS A 71 24.459 28.983 23.527 1.00 20.00 O ATOM 480 CB CYS A 71 22.232 28.637 25.890 1.00 20.00 C ATOM 481 SG CYS A 71 21.945 30.325 26.504 1.00 20.00 S ATOM 0 H CYS A 71 23.459 26.707 24.840 1.00 20.00 H new ATOM 0 HA CYS A 71 21.318 28.547 23.932 1.00 20.00 H new ATOM 0 HB2 CYS A 71 21.443 28.005 26.298 1.00 20.00 H new ATOM 0 HB3 CYS A 71 23.172 28.291 26.320 1.00 20.00 H new