USER MOD reduce.3.24.130724 H: found=0, std=0, add=156, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 156 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -5.96! C(o=-6!,f=-9.5!) USER MOD Single : A 19 SER OG : rot -82:sc= 0.188! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -4.471 16.503 4.065 1.00 0.00 N ATOM 11 CA VAL A 2 -5.509 15.865 3.263 1.00 0.00 C ATOM 12 C VAL A 2 -4.884 15.063 2.122 1.00 0.00 C ATOM 13 O VAL A 2 -5.074 13.851 2.026 1.00 0.00 O ATOM 14 CB VAL A 2 -6.462 16.926 2.694 1.00 0.00 C ATOM 15 CG1 VAL A 2 -7.661 17.098 3.631 1.00 0.00 C ATOM 16 CG2 VAL A 2 -5.726 18.263 2.567 1.00 0.00 C ATOM 0 HA VAL A 2 -6.072 15.185 3.902 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.809 16.605 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.335 17.852 3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.190 16.149 3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.312 17.416 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.404 19.015 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.376 18.580 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.873 18.147 1.898 1.00 0.00 H new ATOM 26 N VAL A 3 -4.142 15.749 1.258 1.00 0.00 N ATOM 27 CA VAL A 3 -3.499 15.088 0.127 1.00 0.00 C ATOM 28 C VAL A 3 -2.472 14.070 0.612 1.00 0.00 C ATOM 29 O VAL A 3 -2.382 12.963 0.079 1.00 0.00 O ATOM 30 CB VAL A 3 -2.810 16.128 -0.758 1.00 0.00 C ATOM 31 CG1 VAL A 3 -2.272 15.447 -2.019 1.00 0.00 C ATOM 32 CG2 VAL A 3 -3.819 17.207 -1.155 1.00 0.00 C ATOM 0 H VAL A 3 -3.972 16.753 1.318 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.264 14.567 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.986 16.584 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.781 16.187 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.555 14.676 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.097 14.992 -2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.329 17.949 -1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.643 16.751 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.205 17.691 -0.258 1.00 0.00 H new ATOM 42 N ASP A 4 -1.696 14.453 1.620 1.00 0.00 N ATOM 43 CA ASP A 4 -0.674 13.572 2.167 1.00 0.00 C ATOM 44 C ASP A 4 -1.284 12.252 2.635 1.00 0.00 C ATOM 45 O ASP A 4 -0.760 11.177 2.344 1.00 0.00 O ATOM 46 CB ASP A 4 0.023 14.265 3.341 1.00 0.00 C ATOM 47 CG ASP A 4 0.038 15.775 3.123 1.00 0.00 C ATOM 48 OD1 ASP A 4 -0.047 16.189 1.979 1.00 0.00 O ATOM 49 OD2 ASP A 4 0.133 16.494 4.104 1.00 0.00 O ATOM 0 H ASP A 4 -1.756 15.365 2.073 1.00 0.00 H new ATOM 0 HA ASP A 4 0.052 13.354 1.383 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.493 14.029 4.271 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.043 13.894 3.439 1.00 0.00 H new ATOM 54 N ILE A 5 -2.389 12.344 3.368 1.00 0.00 N ATOM 55 CA ILE A 5 -3.058 11.151 3.878 1.00 0.00 C ATOM 56 C ILE A 5 -3.690 10.352 2.741 1.00 0.00 C ATOM 57 O ILE A 5 -3.676 9.121 2.756 1.00 0.00 O ATOM 58 CB ILE A 5 -4.136 11.551 4.888 1.00 0.00 C ATOM 59 CG1 ILE A 5 -3.472 12.167 6.123 1.00 0.00 C ATOM 60 CG2 ILE A 5 -4.934 10.314 5.304 1.00 0.00 C ATOM 61 CD1 ILE A 5 -4.519 12.928 6.941 1.00 0.00 C ATOM 0 H ILE A 5 -2.838 13.224 3.621 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.313 10.524 4.368 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.807 12.279 4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.017 11.386 6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.671 12.842 5.820 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.701 10.601 6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.406 9.873 4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.264 9.585 5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.046 13.366 7.820 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.953 13.719 6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.304 12.241 7.256 1.00 0.00 H new ATOM 73 N LEU A 6 -4.243 11.056 1.761 1.00 0.00 N ATOM 74 CA LEU A 6 -4.878 10.399 0.627 1.00 0.00 C ATOM 75 C LEU A 6 -3.888 9.481 -0.083 1.00 0.00 C ATOM 76 O LEU A 6 -4.168 8.303 -0.303 1.00 0.00 O ATOM 77 CB LEU A 6 -5.398 11.461 -0.348 1.00 0.00 C ATOM 78 CG LEU A 6 -6.827 11.874 0.038 1.00 0.00 C ATOM 79 CD1 LEU A 6 -7.100 13.298 -0.453 1.00 0.00 C ATOM 80 CD2 LEU A 6 -7.833 10.917 -0.609 1.00 0.00 C ATOM 0 H LEU A 6 -4.265 12.075 1.729 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.710 9.794 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.743 12.332 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.386 11.070 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.930 11.834 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.114 13.589 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.388 13.984 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.993 13.336 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.845 11.212 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.726 10.955 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.644 9.901 -0.262 1.00 0.00 H new ATOM 92 N LYS A 7 -2.730 10.026 -0.439 1.00 0.00 N ATOM 93 CA LYS A 7 -1.708 9.243 -1.123 1.00 0.00 C ATOM 94 C LYS A 7 -1.117 8.195 -0.182 1.00 0.00 C ATOM 95 O LYS A 7 -1.000 7.023 -0.537 1.00 0.00 O ATOM 96 CB LYS A 7 -0.603 10.165 -1.641 1.00 0.00 C ATOM 97 CG LYS A 7 -0.193 9.748 -3.058 1.00 0.00 C ATOM 98 CD LYS A 7 -1.124 10.414 -4.062 1.00 0.00 C ATOM 99 CE LYS A 7 -0.522 11.743 -4.522 1.00 0.00 C ATOM 100 NZ LYS A 7 0.496 11.488 -5.579 1.00 0.00 N ATOM 0 H LYS A 7 -2.477 10.999 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.170 8.730 -1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.951 11.198 -1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.260 10.121 -0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.839 10.039 -3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.243 8.664 -3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.279 9.758 -4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.101 10.584 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.306 12.396 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.064 12.258 -3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.905 12.391 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.249 10.881 -5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.046 11.014 -6.388 1.00 0.00 H new ATOM 114 N GLY A 8 -0.747 8.628 1.020 1.00 0.00 N ATOM 115 CA GLY A 8 -0.170 7.720 2.003 1.00 0.00 C ATOM 116 C GLY A 8 -1.165 6.632 2.389 1.00 0.00 C ATOM 117 O GLY A 8 -0.780 5.560 2.853 1.00 0.00 O ATOM 0 H GLY A 8 -0.836 9.594 1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.733 7.265 1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.126 8.279 2.891 1.00 0.00 H new ATOM 121 N ALA A 9 -2.446 6.918 2.194 1.00 0.00 N ATOM 122 CA ALA A 9 -3.493 5.960 2.524 1.00 0.00 C ATOM 123 C ALA A 9 -3.511 4.817 1.513 1.00 0.00 C ATOM 124 O ALA A 9 -3.697 3.656 1.877 1.00 0.00 O ATOM 125 CB ALA A 9 -4.856 6.657 2.535 1.00 0.00 C ATOM 0 H ALA A 9 -2.784 7.801 1.811 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.287 5.552 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.633 5.933 2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.851 7.453 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.056 7.081 1.551 1.00 0.00 H new ATOM 131 N ALA A 10 -3.317 5.155 0.242 1.00 0.00 N ATOM 132 CA ALA A 10 -3.312 4.148 -0.814 1.00 0.00 C ATOM 133 C ALA A 10 -2.270 3.073 -0.522 1.00 0.00 C ATOM 134 O ALA A 10 -2.404 1.930 -0.961 1.00 0.00 O ATOM 135 CB ALA A 10 -3.008 4.805 -2.161 1.00 0.00 C ATOM 0 H ALA A 10 -3.162 6.110 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.297 3.683 -0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.006 4.046 -2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.770 5.552 -2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.030 5.285 -2.119 1.00 0.00 H new ATOM 141 N LYS A 11 -1.235 3.445 0.224 1.00 0.00 N ATOM 142 CA LYS A 11 -0.178 2.504 0.569 1.00 0.00 C ATOM 143 C LYS A 11 -0.693 1.453 1.548 1.00 0.00 C ATOM 144 O LYS A 11 -0.231 0.312 1.547 1.00 0.00 O ATOM 145 CB LYS A 11 0.997 3.251 1.186 1.00 0.00 C ATOM 146 CG LYS A 11 2.292 2.467 0.954 1.00 0.00 C ATOM 147 CD LYS A 11 3.455 3.186 1.640 1.00 0.00 C ATOM 148 CE LYS A 11 4.748 2.403 1.411 1.00 0.00 C ATOM 149 NZ LYS A 11 5.916 3.252 1.780 1.00 0.00 N ATOM 0 H LYS A 11 -1.107 4.385 0.599 1.00 0.00 H new ATOM 0 HA LYS A 11 0.150 2.001 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.079 4.245 0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.831 3.389 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.193 1.456 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.487 2.375 -0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.555 4.197 1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.259 3.280 2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.744 1.492 2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.821 2.099 0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.795 2.719 1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.922 4.109 1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.847 3.521 2.782 1.00 0.00 H new ATOM 163 N ASP A 12 -1.655 1.845 2.377 1.00 0.00 N ATOM 164 CA ASP A 12 -2.227 0.928 3.355 1.00 0.00 C ATOM 165 C ASP A 12 -2.911 -0.241 2.653 1.00 0.00 C ATOM 166 O ASP A 12 -2.753 -1.396 3.051 1.00 0.00 O ATOM 167 CB ASP A 12 -3.243 1.666 4.230 1.00 0.00 C ATOM 168 CG ASP A 12 -3.829 0.712 5.265 1.00 0.00 C ATOM 169 OD1 ASP A 12 -3.160 -0.252 5.600 1.00 0.00 O ATOM 170 OD2 ASP A 12 -4.938 0.960 5.709 1.00 0.00 O ATOM 0 H ASP A 12 -2.052 2.784 2.391 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.422 0.542 3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.762 2.507 4.729 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.040 2.077 3.610 1.00 0.00 H new ATOM 175 N ILE A 13 -3.669 0.066 1.606 1.00 0.00 N ATOM 176 CA ILE A 13 -4.371 -0.967 0.854 1.00 0.00 C ATOM 177 C ILE A 13 -3.377 -1.906 0.180 1.00 0.00 C ATOM 178 O ILE A 13 -3.434 -3.122 0.365 1.00 0.00 O ATOM 179 CB ILE A 13 -5.268 -0.324 -0.206 1.00 0.00 C ATOM 180 CG1 ILE A 13 -6.344 0.520 0.482 1.00 0.00 C ATOM 181 CG2 ILE A 13 -5.935 -1.416 -1.042 1.00 0.00 C ATOM 182 CD1 ILE A 13 -7.068 1.373 -0.561 1.00 0.00 C ATOM 0 H ILE A 13 -3.812 1.015 1.261 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.985 -1.542 1.548 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.665 0.312 -0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.055 -0.127 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.891 1.160 1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.574 -0.957 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.170 -2.018 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.538 -2.053 -0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.834 1.974 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.352 2.030 -1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.535 0.724 -1.302 1.00 0.00 H new ATOM 194 N ALA A 14 -2.465 -1.333 -0.601 1.00 0.00 N ATOM 195 CA ALA A 14 -1.462 -2.130 -1.297 1.00 0.00 C ATOM 196 C ALA A 14 -0.575 -2.866 -0.298 1.00 0.00 C ATOM 197 O ALA A 14 0.165 -3.778 -0.665 1.00 0.00 O ATOM 198 CB ALA A 14 -0.599 -1.226 -2.180 1.00 0.00 C ATOM 0 H ALA A 14 -2.401 -0.329 -0.766 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.975 -2.864 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.148 -1.828 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.230 -0.723 -2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.099 -0.482 -1.560 1.00 0.00 H new ATOM 204 N GLY A 15 -0.654 -2.462 0.966 1.00 0.00 N ATOM 205 CA GLY A 15 0.146 -3.089 2.010 1.00 0.00 C ATOM 206 C GLY A 15 -0.170 -4.576 2.121 1.00 0.00 C ATOM 207 O GLY A 15 0.702 -5.424 1.923 1.00 0.00 O ATOM 0 H GLY A 15 -1.260 -1.708 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.205 -2.954 1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.048 -2.600 2.965 1.00 0.00 H new ATOM 211 N HIS A 16 -1.422 -4.887 2.440 1.00 0.00 N ATOM 212 CA HIS A 16 -1.843 -6.277 2.577 1.00 0.00 C ATOM 213 C HIS A 16 -1.747 -7.002 1.238 1.00 0.00 C ATOM 214 O HIS A 16 -1.768 -8.232 1.184 1.00 0.00 O ATOM 215 CB HIS A 16 -3.283 -6.338 3.089 1.00 0.00 C ATOM 216 CG HIS A 16 -4.171 -5.523 2.190 1.00 0.00 C ATOM 217 ND1 HIS A 16 -4.479 -5.919 0.898 1.00 0.00 N ATOM 218 CD2 HIS A 16 -4.825 -4.331 2.382 1.00 0.00 C ATOM 219 CE1 HIS A 16 -5.285 -4.982 0.367 1.00 0.00 C ATOM 220 NE2 HIS A 16 -5.528 -3.991 1.229 1.00 0.00 N ATOM 0 H HIS A 16 -2.158 -4.201 2.607 1.00 0.00 H new ATOM 0 HA HIS A 16 -1.182 -6.768 3.291 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -3.627 -7.372 3.117 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -3.334 -5.958 4.109 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -4.154 -6.767 0.434 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.798 -3.746 3.289 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.687 -5.026 -0.635 1.00 0.00 H new ATOM 228 N LEU A 17 -1.643 -6.233 0.159 1.00 0.00 N ATOM 229 CA LEU A 17 -1.543 -6.808 -1.174 1.00 0.00 C ATOM 230 C LEU A 17 -0.100 -7.198 -1.483 1.00 0.00 C ATOM 231 O LEU A 17 0.173 -8.325 -1.894 1.00 0.00 O ATOM 232 CB LEU A 17 -2.043 -5.795 -2.204 1.00 0.00 C ATOM 233 CG LEU A 17 -2.728 -6.517 -3.368 1.00 0.00 C ATOM 234 CD1 LEU A 17 -1.760 -7.550 -3.934 1.00 0.00 C ATOM 235 CD2 LEU A 17 -4.018 -7.215 -2.889 1.00 0.00 C ATOM 0 H LEU A 17 -1.626 -5.213 0.183 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.158 -7.706 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.742 -5.103 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.208 -5.201 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.999 -5.793 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.232 -8.074 -4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.858 -7.049 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.496 -8.266 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.491 -7.723 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.772 -7.944 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.704 -6.472 -2.481 1.00 0.00 H new ATOM 247 N ALA A 18 0.818 -6.259 -1.281 1.00 0.00 N ATOM 248 CA ALA A 18 2.230 -6.517 -1.541 1.00 0.00 C ATOM 249 C ALA A 18 2.705 -7.734 -0.756 1.00 0.00 C ATOM 250 O ALA A 18 3.753 -8.306 -1.052 1.00 0.00 O ATOM 251 CB ALA A 18 3.065 -5.296 -1.149 1.00 0.00 C ATOM 0 H ALA A 18 0.613 -5.320 -0.941 1.00 0.00 H new ATOM 0 HA ALA A 18 2.354 -6.715 -2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.118 -5.497 -1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.745 -4.433 -1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.928 -5.087 -0.088 1.00 0.00 H new ATOM 257 N SER A 19 1.923 -8.125 0.246 1.00 0.00 N ATOM 258 CA SER A 19 2.271 -9.277 1.069 1.00 0.00 C ATOM 259 C SER A 19 1.879 -10.574 0.368 1.00 0.00 C ATOM 260 O SER A 19 2.702 -11.474 0.201 1.00 0.00 O ATOM 261 CB SER A 19 1.554 -9.190 2.417 1.00 0.00 C ATOM 262 OG SER A 19 0.298 -9.849 2.325 1.00 0.00 O ATOM 0 H SER A 19 1.051 -7.665 0.506 1.00 0.00 H new ATOM 0 HA SER A 19 3.349 -9.273 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.163 -9.650 3.196 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.410 -8.147 2.699 1.00 0.00 H new ATOM 0 HG SER A 19 -0.362 -9.242 1.929 1.00 0.00 H new ATOM 268 N LYS A 20 0.618 -10.659 -0.041 1.00 0.00 N ATOM 269 CA LYS A 20 0.125 -11.849 -0.724 1.00 0.00 C ATOM 270 C LYS A 20 1.109 -12.288 -1.806 1.00 0.00 C ATOM 271 O LYS A 20 1.293 -13.482 -2.043 1.00 0.00 O ATOM 272 CB LYS A 20 -1.251 -11.556 -1.352 1.00 0.00 C ATOM 273 CG LYS A 20 -2.296 -12.552 -0.832 1.00 0.00 C ATOM 274 CD LYS A 20 -2.712 -12.168 0.591 1.00 0.00 C ATOM 275 CE LYS A 20 -3.846 -13.082 1.055 1.00 0.00 C ATOM 276 NZ LYS A 20 -4.034 -12.935 2.526 1.00 0.00 N ATOM 0 H LYS A 20 -0.077 -9.924 0.087 1.00 0.00 H new ATOM 0 HA LYS A 20 0.025 -12.655 0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.558 -10.538 -1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.184 -11.622 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.167 -12.555 -1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.886 -13.562 -0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.861 -12.255 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.035 -11.127 0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.768 -12.828 0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.615 -14.119 0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.806 -13.557 2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.155 -13.198 3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.273 -11.947 2.749 1.00 0.00 H new ATOM 290 N VAL A 21 1.736 -11.316 -2.459 1.00 0.00 N ATOM 291 CA VAL A 21 2.699 -11.616 -3.513 1.00 0.00 C ATOM 292 C VAL A 21 3.977 -12.203 -2.921 1.00 0.00 C ATOM 293 O VAL A 21 4.429 -13.270 -3.333 1.00 0.00 O ATOM 294 CB VAL A 21 3.034 -10.344 -4.292 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.011 -10.677 -5.421 1.00 0.00 C ATOM 296 CG2 VAL A 21 1.750 -9.758 -4.886 1.00 0.00 C ATOM 0 H VAL A 21 1.597 -10.322 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 21 2.254 -12.348 -4.187 1.00 0.00 H new ATOM 0 HB VAL A 21 3.491 -9.617 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.249 -9.769 -5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.925 -11.095 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.556 -11.404 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.987 -8.851 -5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.294 -10.486 -5.557 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.053 -9.519 -4.082 1.00 0.00 H new