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= -0.723 K(o=-0.72,f=-2.6) USER MOD Single : A 53 GLN : amide:sc= -0.215 K(o=-0.22,f=-3!) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0401) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00061 USER MOD Single : A 63 SER OG : rot 165:sc= 0.22 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc=-0.00995 X(o=-0.0099,f=-0.35) USER MOD Single : A 69 LYS NZ :NH3+ 136:sc= 0.911 (180deg=0.197) USER MOD Single : A 70 CYS SG : rot 180:sc= -0.0675 USER MOD ----------------------------------------------------------------- ATOM 116 N GLU A 46 27.822 27.096 24.528 1.00 20.00 N ATOM 117 CA GLU A 46 27.375 26.632 25.841 1.00 20.00 C ATOM 118 C GLU A 46 26.272 25.584 25.696 1.00 20.00 C ATOM 119 O GLU A 46 25.521 25.587 24.719 1.00 20.00 O ATOM 120 CB GLU A 46 26.848 27.802 26.689 1.00 20.00 C ATOM 121 CG GLU A 46 27.976 28.744 27.117 1.00 20.00 C ATOM 122 CD GLU A 46 27.500 29.817 28.097 1.00 20.00 C ATOM 123 OE1 GLU A 46 26.582 30.580 27.725 1.00 20.00 O ATOM 124 OE2 GLU A 46 28.059 29.869 29.215 1.00 20.00 O ATOM 0 HA GLU A 46 28.235 26.187 26.341 1.00 20.00 H new ATOM 0 HB2 GLU A 46 26.105 28.359 26.118 1.00 20.00 H new ATOM 0 HB3 GLU A 46 26.344 27.412 27.573 1.00 20.00 H new ATOM 0 HG2 GLU A 46 28.775 28.163 27.578 1.00 20.00 H new ATOM 0 HG3 GLU A 46 28.399 29.224 26.235 1.00 20.00 H new ATOM 131 N CYS A 47 26.158 24.727 26.717 1.00 20.00 N ATOM 132 CA CYS A 47 25.210 23.624 26.771 1.00 20.00 C ATOM 133 C CYS A 47 24.169 23.913 27.847 1.00 20.00 C ATOM 134 O CYS A 47 24.450 23.845 29.043 1.00 20.00 O ATOM 135 CB CYS A 47 25.952 22.300 26.986 1.00 20.00 C ATOM 136 SG CYS A 47 27.246 21.951 25.758 1.00 20.00 S ATOM 0 H CYS A 47 26.743 24.789 27.550 1.00 20.00 H new ATOM 0 HA CYS A 47 24.680 23.526 25.824 1.00 20.00 H new ATOM 0 HB2 CYS A 47 26.403 22.308 27.978 1.00 20.00 H new ATOM 0 HB3 CYS A 47 25.227 21.486 26.972 1.00 20.00 H new ATOM 141 N ASN A 48 22.972 24.276 27.379 1.00 20.00 N ATOM 142 CA ASN A 48 21.827 24.727 28.159 1.00 20.00 C ATOM 143 C ASN A 48 20.569 23.965 27.708 1.00 20.00 C ATOM 144 O ASN A 48 20.530 23.476 26.575 1.00 20.00 O ATOM 145 CB ASN A 48 21.670 26.254 28.004 1.00 20.00 C ATOM 146 CG ASN A 48 21.695 26.714 26.552 1.00 20.00 C ATOM 147 OD1 ASN A 48 20.655 26.873 25.922 1.00 20.00 O ATOM 148 ND2 ASN A 48 22.896 26.930 26.023 1.00 20.00 N ATOM 0 H ASN A 48 22.768 24.260 26.380 1.00 20.00 H new ATOM 0 HA ASN A 48 21.979 24.516 29.218 1.00 20.00 H new ATOM 0 HB2 ASN A 48 20.730 26.565 28.461 1.00 20.00 H new ATOM 0 HB3 ASN A 48 22.470 26.753 28.551 1.00 20.00 H new ATOM 0 HD21 ASN A 48 22.978 27.241 25.055 1.00 20.00 H new ATOM 0 HD22 ASN A 48 23.735 26.785 26.585 1.00 20.00 H new ATOM 155 N PRO A 49 19.528 23.868 28.560 1.00 20.00 N ATOM 156 CA PRO A 49 18.303 23.151 28.219 1.00 20.00 C ATOM 157 C PRO A 49 17.523 23.874 27.116 1.00 20.00 C ATOM 158 O PRO A 49 17.652 25.084 26.923 1.00 20.00 O ATOM 159 CB PRO A 49 17.499 23.062 29.520 1.00 20.00 C ATOM 160 CG PRO A 49 17.973 24.278 30.311 1.00 20.00 C ATOM 161 CD PRO A 49 19.447 24.386 29.922 1.00 20.00 C ATOM 0 HA PRO A 49 18.516 22.159 27.821 1.00 20.00 H new ATOM 0 HB2 PRO A 49 16.426 23.098 29.333 1.00 20.00 H new ATOM 0 HB3 PRO A 49 17.699 22.133 30.053 1.00 20.00 H new ATOM 0 HG2 PRO A 49 17.417 25.176 30.042 1.00 20.00 H new ATOM 0 HG3 PRO A 49 17.848 24.135 31.384 1.00 20.00 H new ATOM 0 HD2 PRO A 49 19.791 25.419 29.970 1.00 20.00 H new ATOM 0 HD3 PRO A 49 20.075 23.808 30.600 1.00 20.00 H new ATOM 169 N LEU A 50 16.682 23.106 26.417 1.00 20.00 N ATOM 170 CA LEU A 50 15.817 23.573 25.336 1.00 20.00 C ATOM 171 C LEU A 50 14.811 24.621 25.825 1.00 20.00 C ATOM 172 O LEU A 50 14.484 25.544 25.080 1.00 20.00 O ATOM 173 CB LEU A 50 15.068 22.369 24.753 1.00 20.00 C ATOM 174 CG LEU A 50 15.995 21.303 24.137 1.00 20.00 C ATOM 175 CD1 LEU A 50 15.276 19.952 24.142 1.00 20.00 C ATOM 176 CD2 LEU A 50 16.419 21.687 22.715 1.00 20.00 C ATOM 0 H LEU A 50 16.583 22.107 26.597 1.00 20.00 H new ATOM 0 HA LEU A 50 16.437 24.046 24.575 1.00 20.00 H new ATOM 0 HB2 LEU A 50 14.471 21.908 25.540 1.00 20.00 H new ATOM 0 HB3 LEU A 50 14.373 22.719 23.989 1.00 20.00 H new ATOM 0 HG LEU A 50 16.903 21.235 24.736 1.00 20.00 H new ATOM 0 HD11 LEU A 50 15.926 19.192 23.707 1.00 20.00 H new ATOM 0 HD12 LEU A 50 15.029 19.675 25.167 1.00 20.00 H new ATOM 0 HD13 LEU A 50 14.360 20.025 23.555 1.00 20.00 H new ATOM 0 HD21 LEU A 50 17.072 20.915 22.309 1.00 20.00 H new ATOM 0 HD22 LEU A 50 15.535 21.783 22.085 1.00 20.00 H new ATOM 0 HD23 LEU A 50 16.952 22.637 22.738 1.00 20.00 H new ATOM 188 N ASP A 51 14.358 24.488 27.081 1.00 20.00 N ATOM 189 CA ASP A 51 13.442 25.402 27.763 1.00 20.00 C ATOM 190 C ASP A 51 13.992 26.831 27.935 1.00 20.00 C ATOM 191 O ASP A 51 13.204 27.744 28.184 1.00 20.00 O ATOM 192 CB ASP A 51 13.093 24.829 29.145 1.00 20.00 C ATOM 193 CG ASP A 51 12.473 23.433 29.071 1.00 20.00 C ATOM 194 OD1 ASP A 51 11.328 23.333 28.578 1.00 20.00 O ATOM 195 OD2 ASP A 51 13.156 22.479 29.505 1.00 20.00 O ATOM 0 H ASP A 51 14.635 23.704 27.671 1.00 20.00 H new ATOM 0 HA ASP A 51 12.560 25.484 27.127 1.00 20.00 H new ATOM 0 HB2 ASP A 51 13.996 24.788 29.754 1.00 20.00 H new ATOM 0 HB3 ASP A 51 12.399 25.503 29.648 1.00 20.00 H new ATOM 200 N ARG A 52 15.312 27.040 27.796 1.00 20.00 N ATOM 201 CA ARG A 52 15.954 28.350 27.897 1.00 20.00 C ATOM 202 C ARG A 52 15.443 29.280 26.789 1.00 20.00 C ATOM 203 O ARG A 52 15.442 28.911 25.615 1.00 20.00 O ATOM 204 CB ARG A 52 17.482 28.183 27.842 1.00 20.00 C ATOM 205 CG ARG A 52 18.200 29.482 28.227 1.00 20.00 C ATOM 206 CD ARG A 52 18.173 29.722 29.742 1.00 20.00 C ATOM 207 NE ARG A 52 19.226 28.957 30.429 1.00 20.00 N ATOM 208 CZ ARG A 52 19.464 28.950 31.748 1.00 20.00 C ATOM 209 NH1 ARG A 52 18.725 29.669 32.596 1.00 20.00 N ATOM 210 NH2 ARG A 52 20.464 28.212 32.230 1.00 20.00 N ATOM 0 H ARG A 52 15.971 26.284 27.607 1.00 20.00 H new ATOM 0 HA ARG A 52 15.698 28.810 28.852 1.00 20.00 H new ATOM 0 HB2 ARG A 52 17.787 27.383 28.517 1.00 20.00 H new ATOM 0 HB3 ARG A 52 17.781 27.884 26.837 1.00 20.00 H new ATOM 0 HG2 ARG A 52 19.234 29.441 27.884 1.00 20.00 H new ATOM 0 HG3 ARG A 52 17.728 30.322 27.718 1.00 20.00 H new ATOM 0 HD2 ARG A 52 18.303 30.785 29.945 1.00 20.00 H new ATOM 0 HD3 ARG A 52 17.198 29.438 30.139 1.00 20.00 H new ATOM 0 HE ARG A 52 19.831 28.378 29.847 1.00 20.00 H new ATOM 0 HH11 ARG A 52 17.958 30.242 32.245 1.00 20.00 H new ATOM 0 HH12 ARG A 52 18.928 29.646 33.595 1.00 20.00 H new ATOM 0 HH21 ARG A 52 21.041 27.659 31.596 1.00 20.00 H new ATOM 0 HH22 ARG A 52 20.652 28.201 33.232 1.00 20.00 H new ATOM 224 N GLN A 53 15.013 30.488 27.176 1.00 20.00 N ATOM 225 CA GLN A 53 14.442 31.485 26.273 1.00 20.00 C ATOM 226 C GLN A 53 15.549 32.367 25.674 1.00 20.00 C ATOM 227 O GLN A 53 15.770 33.496 26.115 1.00 20.00 O ATOM 228 CB GLN A 53 13.356 32.310 26.998 1.00 20.00 C ATOM 229 CG GLN A 53 12.145 31.499 27.500 1.00 20.00 C ATOM 230 CD GLN A 53 11.184 31.063 26.389 1.00 20.00 C ATOM 231 OE1 GLN A 53 11.585 30.517 25.367 1.00 20.00 O ATOM 232 NE2 GLN A 53 9.886 31.296 26.573 1.00 20.00 N ATOM 0 H GLN A 53 15.055 30.802 28.146 1.00 20.00 H new ATOM 0 HA GLN A 53 13.955 30.977 25.441 1.00 20.00 H new ATOM 0 HB2 GLN A 53 13.813 32.815 27.849 1.00 20.00 H new ATOM 0 HB3 GLN A 53 12.999 33.086 26.321 1.00 20.00 H new ATOM 0 HG2 GLN A 53 12.505 30.613 28.023 1.00 20.00 H new ATOM 0 HG3 GLN A 53 11.596 32.097 28.227 1.00 20.00 H new ATOM 0 HE21 GLN A 53 9.566 31.751 27.428 1.00 20.00 H new ATOM 0 HE22 GLN A 53 9.212 31.019 25.859 1.00 20.00 H new ATOM 241 N CYS A 54 16.234 31.832 24.654 1.00 20.00 N ATOM 242 CA CYS A 54 17.255 32.512 23.858 1.00 20.00 C ATOM 243 C CYS A 54 17.391 31.876 22.466 1.00 20.00 C ATOM 244 O CYS A 54 16.675 30.929 22.133 1.00 20.00 O ATOM 245 CB CYS A 54 18.594 32.504 24.609 1.00 20.00 C ATOM 246 SG CYS A 54 19.193 30.859 25.060 1.00 20.00 S ATOM 0 H CYS A 54 16.082 30.870 24.351 1.00 20.00 H new ATOM 0 HA CYS A 54 16.948 33.547 23.709 1.00 20.00 H new ATOM 0 HB2 CYS A 54 19.346 32.993 23.990 1.00 20.00 H new ATOM 0 HB3 CYS A 54 18.491 33.100 25.516 1.00 20.00 H new ATOM 251 N LYS A 55 18.324 32.406 21.659 1.00 20.00 N ATOM 252 CA LYS A 55 18.657 31.923 20.318 1.00 20.00 C ATOM 253 C LYS A 55 19.336 30.550 20.389 1.00 20.00 C ATOM 254 O LYS A 55 19.812 30.148 21.449 1.00 20.00 O ATOM 255 CB LYS A 55 19.581 32.945 19.616 1.00 20.00 C ATOM 256 CG LYS A 55 19.033 33.395 18.255 1.00 20.00 C ATOM 257 CD LYS A 55 17.866 34.389 18.422 1.00 20.00 C ATOM 258 CE LYS A 55 17.251 34.798 17.079 1.00 20.00 C ATOM 259 NZ LYS A 55 18.217 35.507 16.213 1.00 20.00 N ATOM 0 H LYS A 55 18.885 33.211 21.937 1.00 20.00 H new ATOM 0 HA LYS A 55 17.737 31.815 19.743 1.00 20.00 H new ATOM 0 HB2 LYS A 55 19.708 33.816 20.259 1.00 20.00 H new ATOM 0 HB3 LYS A 55 20.568 32.503 19.479 1.00 20.00 H new ATOM 0 HG2 LYS A 55 19.830 33.861 17.676 1.00 20.00 H new ATOM 0 HG3 LYS A 55 18.695 32.526 17.691 1.00 20.00 H new ATOM 0 HD2 LYS A 55 17.096 33.939 19.049 1.00 20.00 H new ATOM 0 HD3 LYS A 55 18.221 35.279 18.942 1.00 20.00 H new ATOM 0 HE2 LYS A 55 16.887 33.910 16.563 1.00 20.00 H new ATOM 0 HE3 LYS A 55 16.388 35.439 17.257 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 17.739 35.823 15.345 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 18.597 36.332 16.719 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 18.996 34.865 15.964 1.00 20.00 H new ATOM 273 N GLU A 56 19.395 29.841 19.253 1.00 20.00 N ATOM 274 CA GLU A 56 20.053 28.543 19.135 1.00 20.00 C ATOM 275 C GLU A 56 20.512 28.256 17.693 1.00 20.00 C ATOM 276 O GLU A 56 20.354 29.092 16.804 1.00 20.00 O ATOM 277 CB GLU A 56 19.107 27.469 19.696 1.00 20.00 C ATOM 278 CG GLU A 56 18.065 26.955 18.702 1.00 20.00 C ATOM 279 CD GLU A 56 16.890 26.274 19.405 1.00 20.00 C ATOM 280 OE1 GLU A 56 15.841 26.939 19.553 1.00 20.00 O ATOM 281 OE2 GLU A 56 17.040 25.089 19.774 1.00 20.00 O ATOM 0 H GLU A 56 18.979 30.163 18.379 1.00 20.00 H new ATOM 0 HA GLU A 56 20.972 28.538 19.722 1.00 20.00 H new ATOM 0 HB2 GLU A 56 19.703 26.626 20.046 1.00 20.00 H new ATOM 0 HB3 GLU A 56 18.591 27.877 20.565 1.00 20.00 H new ATOM 0 HG2 GLU A 56 17.696 27.786 18.101 1.00 20.00 H new ATOM 0 HG3 GLU A 56 18.535 26.250 18.016 1.00 20.00 H new ATOM 288 N LEU A 57 21.080 27.061 17.476 1.00 20.00 N ATOM 289 CA LEU A 57 21.491 26.517 16.180 1.00 20.00 C ATOM 290 C LEU A 57 20.969 25.081 16.010 1.00 20.00 C ATOM 291 O LEU A 57 20.232 24.573 16.855 1.00 20.00 O ATOM 292 CB LEU A 57 23.029 26.598 16.060 1.00 20.00 C ATOM 293 CG LEU A 57 23.571 28.021 15.820 1.00 20.00 C ATOM 294 CD1 LEU A 57 25.102 27.964 15.731 1.00 20.00 C ATOM 295 CD2 LEU A 57 23.044 28.676 14.529 1.00 20.00 C ATOM 0 H LEU A 57 21.274 26.416 18.242 1.00 20.00 H new ATOM 0 HA LEU A 57 21.056 27.108 15.373 1.00 20.00 H new ATOM 0 HB2 LEU A 57 23.475 26.201 16.972 1.00 20.00 H new ATOM 0 HB3 LEU A 57 23.352 25.955 15.241 1.00 20.00 H new ATOM 0 HG LEU A 57 23.227 28.627 16.658 1.00 20.00 H new ATOM 0 HD11 LEU A 57 25.494 28.967 15.561 1.00 20.00 H new ATOM 0 HD12 LEU A 57 25.506 27.569 16.663 1.00 20.00 H new ATOM 0 HD13 LEU A 57 25.395 27.315 14.905 1.00 20.00 H new ATOM 0 HD21 LEU A 57 23.469 29.675 14.428 1.00 20.00 H new ATOM 0 HD22 LEU A 57 23.332 28.070 13.670 1.00 20.00 H new ATOM 0 HD23 LEU A 57 21.957 28.747 14.574 1.00 20.00 H new ATOM 307 N GLN A 58 21.334 24.439 14.891 1.00 20.00 N ATOM 308 CA GLN A 58 20.973 23.057 14.568 1.00 20.00 C ATOM 309 C GLN A 58 22.201 22.139 14.555 1.00 20.00 C ATOM 310 O GLN A 58 22.127 21.021 15.066 1.00 20.00 O ATOM 311 CB GLN A 58 20.162 23.007 13.257 1.00 20.00 C ATOM 312 CG GLN A 58 20.940 23.405 11.991 1.00 20.00 C ATOM 313 CD GLN A 58 20.027 23.523 10.769 1.00 20.00 C ATOM 314 OE1 GLN A 58 19.760 22.536 10.088 1.00 20.00 O ATOM 315 NE2 GLN A 58 19.528 24.729 10.493 1.00 20.00 N ATOM 0 H GLN A 58 21.903 24.881 14.169 1.00 20.00 H new ATOM 0 HA GLN A 58 20.328 22.670 15.357 1.00 20.00 H new ATOM 0 HB2 GLN A 58 19.777 21.996 13.125 1.00 20.00 H new ATOM 0 HB3 GLN A 58 19.300 23.666 13.356 1.00 20.00 H new ATOM 0 HG2 GLN A 58 21.444 24.357 12.160 1.00 20.00 H new ATOM 0 HG3 GLN A 58 21.715 22.664 11.794 1.00 20.00 H new ATOM 0 HE21 GLN A 58 19.770 25.528 11.079 1.00 20.00 H new ATOM 0 HE22 GLN A 58 18.904 24.852 9.696 1.00 20.00 H new ATOM 324 N ALA A 59 23.330 22.620 14.014 1.00 20.00 N ATOM 325 CA ALA A 59 24.588 21.882 13.971 1.00 20.00 C ATOM 326 C ALA A 59 25.318 21.925 15.319 1.00 20.00 C ATOM 327 O ALA A 59 25.875 20.912 15.740 1.00 20.00 O ATOM 328 CB ALA A 59 25.477 22.453 12.860 1.00 20.00 C ATOM 0 H ALA A 59 23.389 23.546 13.590 1.00 20.00 H new ATOM 0 HA ALA A 59 24.365 20.836 13.759 1.00 20.00 H new ATOM 0 HB1 ALA A 59 26.417 21.902 12.827 1.00 20.00 H new ATOM 0 HB2 ALA A 59 24.967 22.358 11.901 1.00 20.00 H new ATOM 0 HB3 ALA A 59 25.680 23.505 13.061 1.00 20.00 H new ATOM 334 N GLU A 60 25.316 23.088 15.989 1.00 20.00 N ATOM 335 CA GLU A 60 25.988 23.295 17.271 1.00 20.00 C ATOM 336 C GLU A 60 25.116 22.869 18.458 1.00 20.00 C ATOM 337 O GLU A 60 25.656 22.556 19.519 1.00 20.00 O ATOM 338 CB GLU A 60 26.389 24.771 17.397 1.00 20.00 C ATOM 339 CG GLU A 60 27.505 25.180 16.419 1.00 20.00 C ATOM 340 CD GLU A 60 28.898 24.796 16.924 1.00 20.00 C ATOM 341 OE1 GLU A 60 29.221 23.587 16.885 1.00 20.00 O ATOM 342 OE2 GLU A 60 29.630 25.722 17.334 1.00 20.00 O ATOM 0 H GLU A 60 24.838 23.921 15.645 1.00 20.00 H new ATOM 0 HA GLU A 60 26.878 22.666 17.295 1.00 20.00 H new ATOM 0 HB2 GLU A 60 25.513 25.395 17.221 1.00 20.00 H new ATOM 0 HB3 GLU A 60 26.719 24.966 18.417 1.00 20.00 H new ATOM 0 HG2 GLU A 60 27.329 24.706 15.453 1.00 20.00 H new ATOM 0 HG3 GLU A 60 27.465 26.257 16.257 1.00 20.00 H new ATOM 349 N SER A 61 23.789 22.797 18.278 1.00 20.00 N ATOM 350 CA SER A 61 22.879 22.196 19.247 1.00 20.00 C ATOM 351 C SER A 61 23.211 20.712 19.462 1.00 20.00 C ATOM 352 O SER A 61 23.265 20.254 20.604 1.00 20.00 O ATOM 353 CB SER A 61 21.442 22.390 18.750 1.00 20.00 C ATOM 354 OG SER A 61 20.517 21.652 19.517 1.00 20.00 O ATOM 0 H SER A 61 23.320 23.159 17.448 1.00 20.00 H new ATOM 0 HA SER A 61 22.990 22.684 20.215 1.00 20.00 H new ATOM 0 HB2 SER A 61 21.184 23.448 18.789 1.00 20.00 H new ATOM 0 HB3 SER A 61 21.374 22.084 17.706 1.00 20.00 H new ATOM 0 HG SER A 61 19.612 21.802 19.172 1.00 20.00 H new ATOM 360 N ALA A 62 23.479 19.984 18.366 1.00 20.00 N ATOM 361 CA ALA A 62 23.883 18.583 18.382 1.00 20.00 C ATOM 362 C ALA A 62 25.287 18.359 18.975 1.00 20.00 C ATOM 363 O ALA A 62 25.570 17.247 19.421 1.00 20.00 O ATOM 364 CB ALA A 62 23.813 18.043 16.950 1.00 20.00 C ATOM 0 H ALA A 62 23.417 20.370 17.424 1.00 20.00 H new ATOM 0 HA ALA A 62 23.197 18.044 19.035 1.00 20.00 H new ATOM 0 HB1 ALA A 62 24.112 16.995 16.941 1.00 20.00 H new ATOM 0 HB2 ALA A 62 22.793 18.132 16.577 1.00 20.00 H new ATOM 0 HB3 ALA A 62 24.484 18.617 16.311 1.00 20.00 H new ATOM 370 N SER A 63 26.147 19.394 19.014 1.00 20.00 N ATOM 371 CA SER A 63 27.484 19.318 19.610 1.00 20.00 C ATOM 372 C SER A 63 27.418 19.147 21.134 1.00 20.00 C ATOM 373 O SER A 63 28.256 18.447 21.699 1.00 20.00 O ATOM 374 CB SER A 63 28.309 20.572 19.271 1.00 20.00 C ATOM 375 OG SER A 63 28.441 20.749 17.872 1.00 20.00 O ATOM 0 H SER A 63 25.927 20.312 18.628 1.00 20.00 H new ATOM 0 HA SER A 63 27.971 18.440 19.185 1.00 20.00 H new ATOM 0 HB2 SER A 63 27.832 21.450 19.706 1.00 20.00 H new ATOM 0 HB3 SER A 63 29.298 20.490 19.723 1.00 20.00 H new ATOM 0 HG SER A 63 28.748 21.661 17.685 1.00 20.00 H new ATOM 381 N CYS A 64 26.415 19.753 21.789 1.00 20.00 N ATOM 382 CA CYS A 64 26.181 19.665 23.231 1.00 20.00 C ATOM 383 C CYS A 64 25.478 18.374 23.682 1.00 20.00 C ATOM 384 O CYS A 64 25.393 18.132 24.887 1.00 20.00 O ATOM 385 CB CYS A 64 25.364 20.883 23.661 1.00 20.00 C ATOM 386 SG CYS A 64 26.368 22.352 23.958 1.00 20.00 S ATOM 0 H CYS A 64 25.726 20.334 21.311 1.00 20.00 H new ATOM 0 HA CYS A 64 27.158 19.645 23.713 1.00 20.00 H new ATOM 0 HB2 CYS A 64 24.626 21.106 22.891 1.00 20.00 H new ATOM 0 HB3 CYS A 64 24.813 20.639 24.569 1.00 20.00 H new ATOM 391 N GLY A 65 25.001 17.544 22.744 1.00 20.00 N ATOM 392 CA GLY A 65 24.406 16.243 23.026 1.00 20.00 C ATOM 393 C GLY A 65 22.879 16.281 23.114 1.00 20.00 C ATOM 394 O GLY A 65 22.244 17.325 22.948 1.00 20.00 O ATOM 0 H GLY A 65 25.021 17.769 21.749 1.00 20.00 H new ATOM 0 HA2 GLY A 65 24.701 15.540 22.247 1.00 20.00 H new ATOM 0 HA3 GLY A 65 24.808 15.864 23.966 1.00 20.00 H new ATOM 398 N LYS A 66 22.307 15.096 23.361 1.00 20.00 N ATOM 399 CA LYS A 66 20.876 14.797 23.368 1.00 20.00 C ATOM 400 C LYS A 66 20.149 15.606 24.449 1.00 20.00 C ATOM 401 O LYS A 66 20.383 15.399 25.641 1.00 20.00 O ATOM 402 CB LYS A 66 20.666 13.289 23.594 1.00 20.00 C ATOM 403 CG LYS A 66 21.298 12.417 22.497 1.00 20.00 C ATOM 404 CD LYS A 66 20.977 10.931 22.723 1.00 20.00 C ATOM 405 CE LYS A 66 21.630 10.038 21.659 1.00 20.00 C ATOM 406 NZ LYS A 66 23.083 9.889 21.869 1.00 20.00 N ATOM 0 H LYS A 66 22.869 14.272 23.574 1.00 20.00 H new ATOM 0 HA LYS A 66 20.456 15.079 22.403 1.00 20.00 H new ATOM 0 HB2 LYS A 66 21.090 13.011 24.559 1.00 20.00 H new ATOM 0 HB3 LYS A 66 19.597 13.081 23.643 1.00 20.00 H new ATOM 0 HG2 LYS A 66 20.927 12.729 21.521 1.00 20.00 H new ATOM 0 HG3 LYS A 66 22.378 12.562 22.489 1.00 20.00 H new ATOM 0 HD2 LYS A 66 21.324 10.631 23.712 1.00 20.00 H new ATOM 0 HD3 LYS A 66 19.897 10.786 22.706 1.00 20.00 H new ATOM 0 HE2 LYS A 66 21.160 9.055 21.675 1.00 20.00 H new ATOM 0 HE3 LYS A 66 21.449 10.462 20.671 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 23.480 9.278 21.127 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 23.537 10.824 21.828 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 23.257 9.460 22.800 1.00 20.00 H new ATOM 420 N GLY A 67 19.260 16.516 24.026 1.00 20.00 N ATOM 421 CA GLY A 67 18.412 17.312 24.913 1.00 20.00 C ATOM 422 C GLY A 67 18.979 18.690 25.277 1.00 20.00 C ATOM 423 O GLY A 67 18.396 19.365 26.124 1.00 20.00 O ATOM 0 H GLY A 67 19.110 16.720 23.038 1.00 20.00 H new ATOM 0 HA2 GLY A 67 17.440 17.448 24.438 1.00 20.00 H new ATOM 0 HA3 GLY A 67 18.242 16.750 25.831 1.00 20.00 H new ATOM 427 N GLN A 68 20.090 19.109 24.653 1.00 20.00 N ATOM 428 CA GLN A 68 20.722 20.419 24.831 1.00 20.00 C ATOM 429 C GLN A 68 20.685 21.211 23.516 1.00 20.00 C ATOM 430 O GLN A 68 20.438 20.647 22.449 1.00 20.00 O ATOM 431 CB GLN A 68 22.182 20.235 25.288 1.00 20.00 C ATOM 432 CG GLN A 68 22.361 19.500 26.625 1.00 20.00 C ATOM 433 CD GLN A 68 21.783 20.281 27.805 1.00 20.00 C ATOM 434 OE1 GLN A 68 22.361 21.272 28.241 1.00 20.00 O ATOM 435 NE2 GLN A 68 20.649 19.838 28.344 1.00 20.00 N ATOM 0 H GLN A 68 20.589 18.521 23.986 1.00 20.00 H new ATOM 0 HA GLN A 68 20.173 20.974 25.591 1.00 20.00 H new ATOM 0 HB2 GLN A 68 22.721 19.687 24.515 1.00 20.00 H new ATOM 0 HB3 GLN A 68 22.648 21.217 25.366 1.00 20.00 H new ATOM 0 HG2 GLN A 68 21.877 18.525 26.567 1.00 20.00 H new ATOM 0 HG3 GLN A 68 23.422 19.320 26.798 1.00 20.00 H new ATOM 0 HE21 GLN A 68 20.191 19.011 27.960 1.00 20.00 H new ATOM 0 HE22 GLN A 68 20.238 20.325 29.141 1.00 20.00 H new ATOM 444 N LYS A 69 20.960 22.519 23.602 1.00 20.00 N ATOM 445 CA LYS A 69 21.044 23.439 22.468 1.00 20.00 C ATOM 446 C LYS A 69 22.103 24.531 22.706 1.00 20.00 C ATOM 447 O LYS A 69 22.704 24.582 23.782 1.00 20.00 O ATOM 448 CB LYS A 69 19.655 24.038 22.200 1.00 20.00 C ATOM 449 CG LYS A 69 19.121 24.811 23.419 1.00 20.00 C ATOM 450 CD LYS A 69 18.047 25.815 23.008 1.00 20.00 C ATOM 451 CE LYS A 69 17.731 26.745 24.180 1.00 20.00 C ATOM 452 NZ LYS A 69 17.504 28.122 23.710 1.00 20.00 N ATOM 0 H LYS A 69 21.136 22.978 24.496 1.00 20.00 H new ATOM 0 HA LYS A 69 21.365 22.888 21.584 1.00 20.00 H new ATOM 0 HB2 LYS A 69 19.707 24.706 21.340 1.00 20.00 H new ATOM 0 HB3 LYS A 69 18.959 23.240 21.942 1.00 20.00 H new ATOM 0 HG2 LYS A 69 18.709 24.110 24.145 1.00 20.00 H new ATOM 0 HG3 LYS A 69 19.942 25.333 23.910 1.00 20.00 H new ATOM 0 HD2 LYS A 69 18.389 26.397 22.152 1.00 20.00 H new ATOM 0 HD3 LYS A 69 17.145 25.289 22.696 1.00 20.00 H new ATOM 0 HE2 LYS A 69 16.847 26.386 24.707 1.00 20.00 H new ATOM 0 HE3 LYS A 69 18.555 26.731 24.893 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 16.672 28.520 24.191 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 18.339 28.704 23.924 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 17.340 28.116 22.683 1.00 20.00 H new ATOM 466 N CYS A 70 22.305 25.420 21.713 1.00 20.00 N ATOM 467 CA CYS A 70 23.158 26.601 21.877 1.00 20.00 C ATOM 468 C CYS A 70 22.374 27.766 22.505 1.00 20.00 C ATOM 469 O CYS A 70 21.143 27.751 22.525 1.00 20.00 O ATOM 470 CB CYS A 70 23.762 27.003 20.523 1.00 20.00 C ATOM 471 SG CYS A 70 25.277 27.991 20.693 1.00 20.00 S ATOM 0 H CYS A 70 21.884 25.336 20.788 1.00 20.00 H new ATOM 0 HA CYS A 70 23.971 26.352 22.559 1.00 20.00 H new ATOM 0 HB2 CYS A 70 23.983 26.104 19.948 1.00 20.00 H new ATOM 0 HB3 CYS A 70 23.025 27.571 19.956 1.00 20.00 H new ATOM 0 HG CYS A 70 25.733 28.293 19.514 1.00 20.00 H new ATOM 476 N CYS A 71 23.099 28.780 22.999 1.00 20.00 N ATOM 477 CA CYS A 71 22.563 30.041 23.503 1.00 20.00 C ATOM 478 C CYS A 71 23.655 31.107 23.504 1.00 20.00 C ATOM 479 O CYS A 71 24.684 30.950 24.162 1.00 20.00 O ATOM 480 CB CYS A 71 22.011 29.839 24.909 1.00 20.00 C ATOM 481 SG CYS A 71 21.100 31.199 25.670 1.00 20.00 S ATOM 0 H CYS A 71 24.116 28.736 23.058 1.00 20.00 H new ATOM 0 HA CYS A 71 21.754 30.375 22.854 1.00 20.00 H new ATOM 0 HB2 CYS A 71 21.354 28.969 24.887 1.00 20.00 H new ATOM 0 HB3 CYS A 71 22.847 29.591 25.563 1.00 20.00 H new