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= -0.609 X(o=-0.61,f=-0.25) 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 180:sc= -0.0085 USER MOD Single : A 63 SER OG : rot 172:sc= 0.173 USER MOD Single : A 66 LYS NZ :NH3+ -144:sc= -0.0119 (180deg=-1.03) USER MOD Single : A 68 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.43) USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= 1.13 (180deg=0.94) USER MOD Single : A 70 CYS SG : rot 43:sc= 0.785 USER MOD ----------------------------------------------------------------- ATOM 116 N GLU A 46 26.593 26.170 26.516 1.00 20.00 N ATOM 117 CA GLU A 46 25.865 25.497 27.587 1.00 20.00 C ATOM 118 C GLU A 46 25.045 24.320 27.037 1.00 20.00 C ATOM 119 O GLU A 46 24.768 24.255 25.841 1.00 20.00 O ATOM 120 CB GLU A 46 24.937 26.519 28.272 1.00 20.00 C ATOM 121 CG GLU A 46 24.751 26.204 29.761 1.00 20.00 C ATOM 122 CD GLU A 46 23.689 27.098 30.397 1.00 20.00 C ATOM 123 OE1 GLU A 46 22.542 26.614 30.527 1.00 20.00 O ATOM 124 OE2 GLU A 46 24.025 28.250 30.750 1.00 20.00 O ATOM 0 HA GLU A 46 26.576 25.097 28.310 1.00 20.00 H new ATOM 0 HB2 GLU A 46 25.353 27.520 28.161 1.00 20.00 H new ATOM 0 HB3 GLU A 46 23.967 26.520 27.776 1.00 20.00 H new ATOM 0 HG2 GLU A 46 24.466 25.159 29.879 1.00 20.00 H new ATOM 0 HG3 GLU A 46 25.699 26.337 30.283 1.00 20.00 H new ATOM 131 N CYS A 47 24.594 23.429 27.929 1.00 20.00 N ATOM 132 CA CYS A 47 23.651 22.363 27.626 1.00 20.00 C ATOM 133 C CYS A 47 22.545 22.368 28.681 1.00 20.00 C ATOM 134 O CYS A 47 22.787 22.100 29.858 1.00 20.00 O ATOM 135 CB CYS A 47 24.379 21.023 27.525 1.00 20.00 C ATOM 136 SG CYS A 47 25.508 20.908 26.107 1.00 20.00 S ATOM 0 H CYS A 47 24.887 23.436 28.906 1.00 20.00 H new ATOM 0 HA CYS A 47 23.184 22.527 26.655 1.00 20.00 H new ATOM 0 HB2 CYS A 47 24.944 20.857 28.442 1.00 20.00 H new ATOM 0 HB3 CYS A 47 23.641 20.223 27.456 1.00 20.00 H new ATOM 141 N ASN A 48 21.336 22.725 28.235 1.00 20.00 N ATOM 142 CA ASN A 48 20.137 22.933 29.044 1.00 20.00 C ATOM 143 C ASN A 48 18.939 22.229 28.387 1.00 20.00 C ATOM 144 O ASN A 48 18.960 21.996 27.174 1.00 20.00 O ATOM 145 CB ASN A 48 19.881 24.442 29.241 1.00 20.00 C ATOM 146 CG ASN A 48 20.127 25.280 27.989 1.00 20.00 C ATOM 147 OD1 ASN A 48 19.243 25.466 27.158 1.00 20.00 O ATOM 148 ND2 ASN A 48 21.349 25.794 27.868 1.00 20.00 N ATOM 0 H ASN A 48 21.161 22.885 27.243 1.00 20.00 H new ATOM 0 HA ASN A 48 20.281 22.496 30.032 1.00 20.00 H new ATOM 0 HB2 ASN A 48 18.851 24.586 29.566 1.00 20.00 H new ATOM 0 HB3 ASN A 48 20.522 24.808 30.043 1.00 20.00 H new ATOM 0 HD21 ASN A 48 21.582 26.370 27.059 1.00 20.00 H new ATOM 0 HD22 ASN A 48 22.052 25.612 28.584 1.00 20.00 H new ATOM 155 N PRO A 49 17.878 21.908 29.155 1.00 20.00 N ATOM 156 CA PRO A 49 16.679 21.286 28.611 1.00 20.00 C ATOM 157 C PRO A 49 15.914 22.256 27.705 1.00 20.00 C ATOM 158 O PRO A 49 16.021 23.478 27.826 1.00 20.00 O ATOM 159 CB PRO A 49 15.845 20.865 29.827 1.00 20.00 C ATOM 160 CG PRO A 49 16.265 21.858 30.906 1.00 20.00 C ATOM 161 CD PRO A 49 17.744 22.081 30.596 1.00 20.00 C ATOM 0 HA PRO A 49 16.919 20.428 27.983 1.00 20.00 H new ATOM 0 HB2 PRO A 49 14.776 20.924 29.621 1.00 20.00 H new ATOM 0 HB3 PRO A 49 16.056 19.837 30.123 1.00 20.00 H new ATOM 0 HG2 PRO A 49 15.694 22.785 30.848 1.00 20.00 H new ATOM 0 HG3 PRO A 49 16.117 21.455 31.908 1.00 20.00 H new ATOM 0 HD2 PRO A 49 18.062 23.078 30.901 1.00 20.00 H new ATOM 0 HD3 PRO A 49 18.368 21.369 31.135 1.00 20.00 H new ATOM 169 N LEU A 50 15.101 21.673 26.821 1.00 20.00 N ATOM 170 CA LEU A 50 14.227 22.366 25.877 1.00 20.00 C ATOM 171 C LEU A 50 13.152 23.189 26.606 1.00 20.00 C ATOM 172 O LEU A 50 12.691 24.203 26.084 1.00 20.00 O ATOM 173 CB LEU A 50 13.556 21.316 24.982 1.00 20.00 C ATOM 174 CG LEU A 50 14.534 20.370 24.244 1.00 20.00 C ATOM 175 CD1 LEU A 50 13.788 19.085 23.877 1.00 20.00 C ATOM 176 CD2 LEU A 50 15.130 21.027 22.995 1.00 20.00 C ATOM 0 H LEU A 50 15.032 20.658 26.742 1.00 20.00 H new ATOM 0 HA LEU A 50 14.824 23.057 25.282 1.00 20.00 H new ATOM 0 HB2 LEU A 50 12.883 20.715 25.593 1.00 20.00 H new ATOM 0 HB3 LEU A 50 12.942 21.829 24.242 1.00 20.00 H new ATOM 0 HG LEU A 50 15.369 20.141 24.906 1.00 20.00 H new ATOM 0 HD11 LEU A 50 14.465 18.408 23.356 1.00 20.00 H new ATOM 0 HD12 LEU A 50 13.422 18.605 24.785 1.00 20.00 H new ATOM 0 HD13 LEU A 50 12.945 19.326 23.229 1.00 20.00 H new ATOM 0 HD21 LEU A 50 15.811 20.330 22.507 1.00 20.00 H new ATOM 0 HD22 LEU A 50 14.328 21.294 22.306 1.00 20.00 H new ATOM 0 HD23 LEU A 50 15.676 21.926 23.282 1.00 20.00 H new ATOM 188 N ASP A 51 12.793 22.756 27.824 1.00 20.00 N ATOM 189 CA ASP A 51 11.873 23.410 28.753 1.00 20.00 C ATOM 190 C ASP A 51 12.297 24.832 29.166 1.00 20.00 C ATOM 191 O ASP A 51 11.429 25.627 29.528 1.00 20.00 O ATOM 192 CB ASP A 51 11.748 22.543 30.014 1.00 20.00 C ATOM 193 CG ASP A 51 11.103 21.185 29.737 1.00 20.00 C ATOM 194 OD1 ASP A 51 9.853 21.130 29.748 1.00 20.00 O ATOM 195 OD2 ASP A 51 11.867 20.214 29.537 1.00 20.00 O ATOM 0 H ASP A 51 13.163 21.885 28.205 1.00 20.00 H new ATOM 0 HA ASP A 51 10.923 23.513 28.229 1.00 20.00 H new ATOM 0 HB2 ASP A 51 12.738 22.389 30.443 1.00 20.00 H new ATOM 0 HB3 ASP A 51 11.157 23.076 30.759 1.00 20.00 H new ATOM 200 N ARG A 52 13.598 25.164 29.112 1.00 20.00 N ATOM 201 CA ARG A 52 14.111 26.502 29.418 1.00 20.00 C ATOM 202 C ARG A 52 13.744 27.481 28.300 1.00 20.00 C ATOM 203 O ARG A 52 13.689 27.079 27.140 1.00 20.00 O ATOM 204 CB ARG A 52 15.643 26.421 29.571 1.00 20.00 C ATOM 205 CG ARG A 52 16.291 27.654 30.212 1.00 20.00 C ATOM 206 CD ARG A 52 15.715 27.909 31.609 1.00 20.00 C ATOM 207 NE ARG A 52 16.614 28.742 32.408 1.00 20.00 N ATOM 208 CZ ARG A 52 16.287 29.409 33.525 1.00 20.00 C ATOM 209 NH1 ARG A 52 15.047 29.385 34.017 1.00 20.00 N ATOM 210 NH2 ARG A 52 17.210 30.116 34.174 1.00 20.00 N ATOM 0 H ARG A 52 14.328 24.501 28.851 1.00 20.00 H new ATOM 0 HA ARG A 52 13.665 26.862 30.345 1.00 20.00 H new ATOM 0 HB2 ARG A 52 15.888 25.545 30.172 1.00 20.00 H new ATOM 0 HB3 ARG A 52 16.085 26.266 28.587 1.00 20.00 H new ATOM 0 HG2 ARG A 52 17.369 27.510 30.279 1.00 20.00 H new ATOM 0 HG3 ARG A 52 16.125 28.527 29.581 1.00 20.00 H new ATOM 0 HD2 ARG A 52 14.744 28.397 31.521 1.00 20.00 H new ATOM 0 HD3 ARG A 52 15.549 26.958 32.116 1.00 20.00 H new ATOM 0 HE ARG A 52 17.578 28.823 32.086 1.00 20.00 H new ATOM 0 HH11 ARG A 52 14.320 28.850 33.542 1.00 20.00 H new ATOM 0 HH12 ARG A 52 14.826 29.902 34.868 1.00 20.00 H new ATOM 0 HH21 ARG A 52 18.167 30.151 33.822 1.00 20.00 H new ATOM 0 HH22 ARG A 52 16.960 30.623 35.023 1.00 20.00 H new ATOM 224 N GLN A 53 13.552 28.769 28.621 1.00 20.00 N ATOM 225 CA GLN A 53 13.456 29.828 27.642 1.00 20.00 C ATOM 226 C GLN A 53 14.871 30.222 27.193 1.00 20.00 C ATOM 227 O GLN A 53 15.575 30.950 27.892 1.00 20.00 O ATOM 228 CB GLN A 53 12.648 30.991 28.236 1.00 20.00 C ATOM 229 CG GLN A 53 12.539 32.099 27.191 1.00 20.00 C ATOM 230 CD GLN A 53 11.303 32.974 27.373 1.00 20.00 C ATOM 231 OE1 GLN A 53 11.258 33.833 28.250 1.00 20.00 O ATOM 232 NE2 GLN A 53 10.294 32.772 26.528 1.00 20.00 N ATOM 0 H GLN A 53 13.460 29.094 29.583 1.00 20.00 H new ATOM 0 HA GLN A 53 12.922 29.503 26.749 1.00 20.00 H new ATOM 0 HB2 GLN A 53 11.655 30.650 28.529 1.00 20.00 H new ATOM 0 HB3 GLN A 53 13.134 31.368 29.136 1.00 20.00 H new ATOM 0 HG2 GLN A 53 13.430 32.725 27.239 1.00 20.00 H new ATOM 0 HG3 GLN A 53 12.517 31.652 26.197 1.00 20.00 H new ATOM 0 HE21 GLN A 53 10.366 32.050 25.812 1.00 20.00 H new ATOM 0 HE22 GLN A 53 9.449 33.340 26.597 1.00 20.00 H new ATOM 241 N CYS A 54 15.275 29.703 26.028 1.00 20.00 N ATOM 242 CA CYS A 54 16.550 29.963 25.363 1.00 20.00 C ATOM 243 C CYS A 54 16.392 29.817 23.847 1.00 20.00 C ATOM 244 O CYS A 54 15.432 29.217 23.359 1.00 20.00 O ATOM 245 CB CYS A 54 17.606 28.959 25.850 1.00 20.00 C ATOM 246 SG CYS A 54 18.509 29.400 27.353 1.00 20.00 S ATOM 0 H CYS A 54 14.689 29.057 25.499 1.00 20.00 H new ATOM 0 HA CYS A 54 16.866 30.978 25.602 1.00 20.00 H new ATOM 0 HB2 CYS A 54 17.114 28.001 26.017 1.00 20.00 H new ATOM 0 HB3 CYS A 54 18.330 28.810 25.049 1.00 20.00 H new ATOM 251 N LYS A 55 17.399 30.311 23.115 1.00 20.00 N ATOM 252 CA LYS A 55 17.565 30.098 21.680 1.00 20.00 C ATOM 253 C LYS A 55 17.822 28.606 21.421 1.00 20.00 C ATOM 254 O LYS A 55 18.488 27.943 22.219 1.00 20.00 O ATOM 255 CB LYS A 55 18.734 30.968 21.183 1.00 20.00 C ATOM 256 CG LYS A 55 18.705 31.312 19.683 1.00 20.00 C ATOM 257 CD LYS A 55 17.556 32.272 19.328 1.00 20.00 C ATOM 258 CE LYS A 55 17.760 33.004 17.997 1.00 20.00 C ATOM 259 NZ LYS A 55 17.789 32.092 16.841 1.00 20.00 N ATOM 0 H LYS A 55 18.138 30.885 23.520 1.00 20.00 H new ATOM 0 HA LYS A 55 16.665 30.386 21.136 1.00 20.00 H new ATOM 0 HB2 LYS A 55 18.741 31.898 21.752 1.00 20.00 H new ATOM 0 HB3 LYS A 55 19.669 30.452 21.403 1.00 20.00 H new ATOM 0 HG2 LYS A 55 19.655 31.764 19.397 1.00 20.00 H new ATOM 0 HG3 LYS A 55 18.602 30.395 19.104 1.00 20.00 H new ATOM 0 HD2 LYS A 55 16.623 31.709 19.285 1.00 20.00 H new ATOM 0 HD3 LYS A 55 17.448 33.007 20.125 1.00 20.00 H new ATOM 0 HE2 LYS A 55 16.959 33.730 17.861 1.00 20.00 H new ATOM 0 HE3 LYS A 55 18.694 33.564 18.035 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 17.929 32.641 15.969 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 18.570 31.414 16.953 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 16.888 31.575 16.784 1.00 20.00 H new ATOM 273 N GLU A 56 17.301 28.091 20.302 1.00 20.00 N ATOM 274 CA GLU A 56 17.383 26.681 19.933 1.00 20.00 C ATOM 275 C GLU A 56 17.951 26.556 18.520 1.00 20.00 C ATOM 276 O GLU A 56 17.247 26.742 17.527 1.00 20.00 O ATOM 277 CB GLU A 56 16.015 26.005 20.102 1.00 20.00 C ATOM 278 CG GLU A 56 16.123 24.483 19.924 1.00 20.00 C ATOM 279 CD GLU A 56 14.755 23.814 20.066 1.00 20.00 C ATOM 280 OE1 GLU A 56 14.226 23.350 19.031 1.00 20.00 O ATOM 281 OE2 GLU A 56 14.242 23.778 21.206 1.00 20.00 O ATOM 0 H GLU A 56 16.801 28.657 19.616 1.00 20.00 H new ATOM 0 HA GLU A 56 18.066 26.154 20.600 1.00 20.00 H new ATOM 0 HB2 GLU A 56 15.614 26.231 21.090 1.00 20.00 H new ATOM 0 HB3 GLU A 56 15.313 26.410 19.373 1.00 20.00 H new ATOM 0 HG2 GLU A 56 16.542 24.257 18.943 1.00 20.00 H new ATOM 0 HG3 GLU A 56 16.810 24.075 20.666 1.00 20.00 H new ATOM 288 N LEU A 57 19.253 26.259 18.458 1.00 20.00 N ATOM 289 CA LEU A 57 20.027 26.089 17.235 1.00 20.00 C ATOM 290 C LEU A 57 19.635 24.799 16.497 1.00 20.00 C ATOM 291 O LEU A 57 18.942 23.944 17.050 1.00 20.00 O ATOM 292 CB LEU A 57 21.521 26.094 17.609 1.00 20.00 C ATOM 293 CG LEU A 57 22.163 27.491 17.791 1.00 20.00 C ATOM 294 CD1 LEU A 57 22.377 28.160 16.429 1.00 20.00 C ATOM 295 CD2 LEU A 57 21.398 28.449 18.717 1.00 20.00 C ATOM 0 H LEU A 57 19.816 26.126 19.298 1.00 20.00 H new ATOM 0 HA LEU A 57 19.817 26.909 16.549 1.00 20.00 H new ATOM 0 HB2 LEU A 57 21.647 25.533 18.535 1.00 20.00 H new ATOM 0 HB3 LEU A 57 22.072 25.559 16.835 1.00 20.00 H new ATOM 0 HG LEU A 57 23.114 27.297 18.287 1.00 20.00 H new ATOM 0 HD11 LEU A 57 22.829 29.141 16.573 1.00 20.00 H new ATOM 0 HD12 LEU A 57 23.037 27.542 15.820 1.00 20.00 H new ATOM 0 HD13 LEU A 57 21.417 28.273 15.924 1.00 20.00 H new ATOM 0 HD21 LEU A 57 21.930 29.399 18.777 1.00 20.00 H new ATOM 0 HD22 LEU A 57 20.397 28.618 18.319 1.00 20.00 H new ATOM 0 HD23 LEU A 57 21.323 28.011 19.712 1.00 20.00 H new ATOM 307 N GLN A 58 20.096 24.660 15.244 1.00 20.00 N ATOM 308 CA GLN A 58 19.707 23.568 14.347 1.00 20.00 C ATOM 309 C GLN A 58 20.833 22.571 14.059 1.00 20.00 C ATOM 310 O GLN A 58 20.559 21.389 13.853 1.00 20.00 O ATOM 311 CB GLN A 58 19.118 24.148 13.052 1.00 20.00 C ATOM 312 CG GLN A 58 20.092 24.993 12.210 1.00 20.00 C ATOM 313 CD GLN A 58 19.464 25.419 10.888 1.00 20.00 C ATOM 314 OE1 GLN A 58 18.927 26.517 10.765 1.00 20.00 O ATOM 315 NE2 GLN A 58 19.533 24.554 9.879 1.00 20.00 N ATOM 0 H GLN A 58 20.757 25.313 14.823 1.00 20.00 H new ATOM 0 HA GLN A 58 18.945 22.986 14.864 1.00 20.00 H new ATOM 0 HB2 GLN A 58 18.752 23.325 12.438 1.00 20.00 H new ATOM 0 HB3 GLN A 58 18.256 24.764 13.308 1.00 20.00 H new ATOM 0 HG2 GLN A 58 20.389 25.877 12.774 1.00 20.00 H new ATOM 0 HG3 GLN A 58 20.998 24.419 12.015 1.00 20.00 H new ATOM 0 HE21 GLN A 58 19.986 23.650 10.013 1.00 20.00 H new ATOM 0 HE22 GLN A 58 19.133 24.795 8.972 1.00 20.00 H new ATOM 324 N ALA A 59 22.085 23.040 14.096 1.00 20.00 N ATOM 325 CA ALA A 59 23.305 22.247 13.934 1.00 20.00 C ATOM 326 C ALA A 59 24.223 22.352 15.166 1.00 20.00 C ATOM 327 O ALA A 59 25.344 21.844 15.138 1.00 20.00 O ATOM 328 CB ALA A 59 24.009 22.673 12.641 1.00 20.00 C ATOM 0 H ALA A 59 22.283 24.029 14.247 1.00 20.00 H new ATOM 0 HA ALA A 59 23.041 21.192 13.854 1.00 20.00 H new ATOM 0 HB1 ALA A 59 24.919 22.087 12.512 1.00 20.00 H new ATOM 0 HB2 ALA A 59 23.346 22.504 11.793 1.00 20.00 H new ATOM 0 HB3 ALA A 59 24.264 23.731 12.697 1.00 20.00 H new ATOM 334 N GLU A 60 23.747 22.998 16.243 1.00 20.00 N ATOM 335 CA GLU A 60 24.478 23.229 17.487 1.00 20.00 C ATOM 336 C GLU A 60 23.696 22.740 18.719 1.00 20.00 C ATOM 337 O GLU A 60 24.301 22.523 19.767 1.00 20.00 O ATOM 338 CB GLU A 60 24.799 24.728 17.599 1.00 20.00 C ATOM 339 CG GLU A 60 26.143 25.025 18.265 1.00 20.00 C ATOM 340 CD GLU A 60 27.340 24.598 17.416 1.00 20.00 C ATOM 341 OE1 GLU A 60 27.437 25.084 16.265 1.00 20.00 O ATOM 342 OE2 GLU A 60 28.153 23.800 17.932 1.00 20.00 O ATOM 0 H GLU A 60 22.804 23.387 16.266 1.00 20.00 H new ATOM 0 HA GLU A 60 25.402 22.652 17.461 1.00 20.00 H new ATOM 0 HB2 GLU A 60 24.794 25.166 16.601 1.00 20.00 H new ATOM 0 HB3 GLU A 60 24.007 25.218 18.166 1.00 20.00 H new ATOM 0 HG2 GLU A 60 26.212 26.094 18.469 1.00 20.00 H new ATOM 0 HG3 GLU A 60 26.186 24.514 19.227 1.00 20.00 H new ATOM 349 N SER A 61 22.375 22.519 18.594 1.00 20.00 N ATOM 350 CA SER A 61 21.562 21.838 19.602 1.00 20.00 C ATOM 351 C SER A 61 21.998 20.372 19.755 1.00 20.00 C ATOM 352 O SER A 61 22.072 19.865 20.876 1.00 20.00 O ATOM 353 CB SER A 61 20.090 21.936 19.192 1.00 20.00 C ATOM 354 OG SER A 61 19.266 21.189 20.049 1.00 20.00 O ATOM 0 H SER A 61 21.841 22.815 17.777 1.00 20.00 H new ATOM 0 HA SER A 61 21.700 22.318 20.571 1.00 20.00 H new ATOM 0 HB2 SER A 61 19.777 22.980 19.203 1.00 20.00 H new ATOM 0 HB3 SER A 61 19.972 21.579 18.169 1.00 20.00 H new ATOM 0 HG SER A 61 18.333 21.273 19.761 1.00 20.00 H new ATOM 360 N ALA A 62 22.317 19.714 18.629 1.00 20.00 N ATOM 361 CA ALA A 62 22.789 18.335 18.567 1.00 20.00 C ATOM 362 C ALA A 62 24.174 18.125 19.200 1.00 20.00 C ATOM 363 O ALA A 62 24.505 16.986 19.532 1.00 20.00 O ATOM 364 CB ALA A 62 22.814 17.905 17.098 1.00 20.00 C ATOM 0 H ALA A 62 22.249 20.149 17.709 1.00 20.00 H new ATOM 0 HA ALA A 62 22.102 17.724 19.152 1.00 20.00 H new ATOM 0 HB1 ALA A 62 23.164 16.875 17.026 1.00 20.00 H new ATOM 0 HB2 ALA A 62 21.810 17.976 16.681 1.00 20.00 H new ATOM 0 HB3 ALA A 62 23.486 18.557 16.540 1.00 20.00 H new ATOM 370 N SER A 63 24.964 19.196 19.396 1.00 20.00 N ATOM 371 CA SER A 63 26.284 19.139 20.031 1.00 20.00 C ATOM 372 C SER A 63 26.201 18.721 21.507 1.00 20.00 C ATOM 373 O SER A 63 27.135 18.097 22.009 1.00 20.00 O ATOM 374 CB SER A 63 26.984 20.501 19.923 1.00 20.00 C ATOM 375 OG SER A 63 27.118 20.914 18.577 1.00 20.00 O ATOM 0 H SER A 63 24.695 20.138 19.112 1.00 20.00 H new ATOM 0 HA SER A 63 26.862 18.381 19.501 1.00 20.00 H new ATOM 0 HB2 SER A 63 26.416 21.247 20.478 1.00 20.00 H new ATOM 0 HB3 SER A 63 27.969 20.442 20.385 1.00 20.00 H new ATOM 0 HG SER A 63 27.449 21.836 18.549 1.00 20.00 H new ATOM 381 N CYS A 64 25.083 19.025 22.186 1.00 20.00 N ATOM 382 CA CYS A 64 24.778 18.561 23.537 1.00 20.00 C ATOM 383 C CYS A 64 24.295 17.108 23.525 1.00 20.00 C ATOM 384 O CYS A 64 24.829 16.285 24.268 1.00 20.00 O ATOM 385 CB CYS A 64 23.711 19.473 24.151 1.00 20.00 C ATOM 386 SG CYS A 64 24.287 21.152 24.489 1.00 20.00 S ATOM 0 H CYS A 64 24.350 19.617 21.794 1.00 20.00 H new ATOM 0 HA CYS A 64 25.686 18.602 24.139 1.00 20.00 H new ATOM 0 HB2 CYS A 64 22.857 19.522 23.476 1.00 20.00 H new ATOM 0 HB3 CYS A 64 23.357 19.027 25.081 1.00 20.00 H new ATOM 391 N GLY A 65 23.295 16.804 22.685 1.00 20.00 N ATOM 392 CA GLY A 65 22.658 15.496 22.570 1.00 20.00 C ATOM 393 C GLY A 65 21.141 15.619 22.406 1.00 20.00 C ATOM 394 O GLY A 65 20.586 16.720 22.441 1.00 20.00 O ATOM 0 H GLY A 65 22.897 17.492 22.046 1.00 20.00 H new ATOM 0 HA2 GLY A 65 23.074 14.962 21.716 1.00 20.00 H new ATOM 0 HA3 GLY A 65 22.882 14.903 23.457 1.00 20.00 H new ATOM 398 N LYS A 66 20.471 14.471 22.225 1.00 20.00 N ATOM 399 CA LYS A 66 19.014 14.392 22.128 1.00 20.00 C ATOM 400 C LYS A 66 18.364 14.786 23.463 1.00 20.00 C ATOM 401 O LYS A 66 18.794 14.339 24.527 1.00 20.00 O ATOM 402 CB LYS A 66 18.574 13.002 21.628 1.00 20.00 C ATOM 403 CG LYS A 66 18.871 11.829 22.579 1.00 20.00 C ATOM 404 CD LYS A 66 18.384 10.460 22.078 1.00 20.00 C ATOM 405 CE LYS A 66 19.216 9.856 20.934 1.00 20.00 C ATOM 406 NZ LYS A 66 18.821 10.361 19.601 1.00 20.00 N ATOM 0 H LYS A 66 20.934 13.566 22.142 1.00 20.00 H new ATOM 0 HA LYS A 66 18.665 15.110 21.386 1.00 20.00 H new ATOM 0 HB2 LYS A 66 17.501 13.028 21.435 1.00 20.00 H new ATOM 0 HB3 LYS A 66 19.065 12.807 20.674 1.00 20.00 H new ATOM 0 HG2 LYS A 66 19.947 11.778 22.747 1.00 20.00 H new ATOM 0 HG3 LYS A 66 18.407 12.034 23.544 1.00 20.00 H new ATOM 0 HD2 LYS A 66 18.384 9.762 22.915 1.00 20.00 H new ATOM 0 HD3 LYS A 66 17.351 10.558 21.744 1.00 20.00 H new ATOM 0 HE2 LYS A 66 20.270 10.078 21.103 1.00 20.00 H new ATOM 0 HE3 LYS A 66 19.112 8.771 20.951 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 18.904 9.596 18.901 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 17.837 10.695 19.634 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 19.444 11.148 19.329 1.00 20.00 H new ATOM 420 N GLY A 67 17.333 15.636 23.397 1.00 20.00 N ATOM 421 CA GLY A 67 16.614 16.153 24.560 1.00 20.00 C ATOM 422 C GLY A 67 17.239 17.405 25.193 1.00 20.00 C ATOM 423 O GLY A 67 16.680 17.915 26.164 1.00 20.00 O ATOM 0 H GLY A 67 16.970 15.990 22.512 1.00 20.00 H new ATOM 0 HA2 GLY A 67 15.590 16.383 24.265 1.00 20.00 H new ATOM 0 HA3 GLY A 67 16.559 15.369 25.315 1.00 20.00 H new ATOM 427 N GLN A 68 18.362 17.912 24.657 1.00 20.00 N ATOM 428 CA GLN A 68 19.006 19.156 25.082 1.00 20.00 C ATOM 429 C GLN A 68 19.206 20.089 23.881 1.00 20.00 C ATOM 430 O GLN A 68 19.136 19.661 22.729 1.00 20.00 O ATOM 431 CB GLN A 68 20.369 18.886 25.753 1.00 20.00 C ATOM 432 CG GLN A 68 20.342 17.969 26.985 1.00 20.00 C ATOM 433 CD GLN A 68 20.345 16.480 26.634 1.00 20.00 C ATOM 434 OE1 GLN A 68 21.124 16.025 25.799 1.00 20.00 O ATOM 435 NE2 GLN A 68 19.486 15.698 27.283 1.00 20.00 N ATOM 0 H GLN A 68 18.857 17.450 23.894 1.00 20.00 H new ATOM 0 HA GLN A 68 18.350 19.632 25.811 1.00 20.00 H new ATOM 0 HB2 GLN A 68 21.036 18.446 25.012 1.00 20.00 H new ATOM 0 HB3 GLN A 68 20.804 19.842 26.045 1.00 20.00 H new ATOM 0 HG2 GLN A 68 21.207 18.189 27.611 1.00 20.00 H new ATOM 0 HG3 GLN A 68 19.454 18.194 27.577 1.00 20.00 H new ATOM 0 HE21 GLN A 68 18.850 16.100 27.971 1.00 20.00 H new ATOM 0 HE22 GLN A 68 19.464 14.696 27.092 1.00 20.00 H new ATOM 444 N LYS A 69 19.498 21.363 24.173 1.00 20.00 N ATOM 445 CA LYS A 69 19.832 22.406 23.208 1.00 20.00 C ATOM 446 C LYS A 69 20.971 23.295 23.732 1.00 20.00 C ATOM 447 O LYS A 69 21.432 23.118 24.862 1.00 20.00 O ATOM 448 CB LYS A 69 18.565 23.213 22.882 1.00 20.00 C ATOM 449 CG LYS A 69 17.916 23.789 24.151 1.00 20.00 C ATOM 450 CD LYS A 69 16.873 24.847 23.818 1.00 20.00 C ATOM 451 CE LYS A 69 16.370 25.417 25.139 1.00 20.00 C ATOM 452 NZ LYS A 69 15.303 26.392 24.911 1.00 20.00 N ATOM 0 H LYS A 69 19.507 21.705 25.134 1.00 20.00 H new ATOM 0 HA LYS A 69 20.196 21.952 22.286 1.00 20.00 H new ATOM 0 HB2 LYS A 69 18.816 24.026 22.201 1.00 20.00 H new ATOM 0 HB3 LYS A 69 17.849 22.574 22.365 1.00 20.00 H new ATOM 0 HG2 LYS A 69 17.450 22.984 24.719 1.00 20.00 H new ATOM 0 HG3 LYS A 69 18.686 24.224 24.788 1.00 20.00 H new ATOM 0 HD2 LYS A 69 17.307 25.633 23.200 1.00 20.00 H new ATOM 0 HD3 LYS A 69 16.051 24.411 23.249 1.00 20.00 H new ATOM 0 HE2 LYS A 69 16.002 24.610 25.772 1.00 20.00 H new ATOM 0 HE3 LYS A 69 17.194 25.891 25.673 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 14.816 26.590 25.808 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 15.711 27.272 24.537 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 14.622 26.008 24.225 1.00 20.00 H new ATOM 466 N CYS A 70 21.406 24.259 22.905 1.00 20.00 N ATOM 467 CA CYS A 70 22.525 25.154 23.199 1.00 20.00 C ATOM 468 C CYS A 70 22.063 26.613 23.193 1.00 20.00 C ATOM 469 O CYS A 70 21.736 27.165 22.143 1.00 20.00 O ATOM 470 CB CYS A 70 23.700 24.883 22.250 1.00 20.00 C ATOM 471 SG CYS A 70 25.286 25.408 22.955 1.00 20.00 S ATOM 0 H CYS A 70 20.978 24.438 21.997 1.00 20.00 H new ATOM 0 HA CYS A 70 22.893 24.953 24.205 1.00 20.00 H new ATOM 0 HB2 CYS A 70 23.741 23.818 22.021 1.00 20.00 H new ATOM 0 HB3 CYS A 70 23.532 25.406 21.308 1.00 20.00 H new ATOM 0 HG CYS A 70 25.347 25.047 24.202 1.00 20.00 H new ATOM 476 N CYS A 71 22.012 27.211 24.391 1.00 20.00 N ATOM 477 CA CYS A 71 21.567 28.584 24.632 1.00 20.00 C ATOM 478 C CYS A 71 22.671 29.595 24.283 1.00 20.00 C ATOM 479 O CYS A 71 23.835 29.226 24.128 1.00 20.00 O ATOM 480 CB CYS A 71 21.167 28.686 26.113 1.00 20.00 C ATOM 481 SG CYS A 71 20.246 30.166 26.613 1.00 20.00 S ATOM 0 H CYS A 71 22.290 26.732 25.247 1.00 20.00 H new ATOM 0 HA CYS A 71 20.716 28.823 23.994 1.00 20.00 H new ATOM 0 HB2 CYS A 71 20.566 27.812 26.363 1.00 20.00 H new ATOM 0 HB3 CYS A 71 22.075 28.632 26.714 1.00 20.00 H new