USER MOD reduce.3.24.130724 H: found=0, std=0, add=156, rem=0, adj=5 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+ -155:sc= 0 (180deg=-0.0178) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= -0.0401 (180deg=-0.32) USER MOD Single : A 16 HIS : no HE2:sc= -2.7 K(o=-2.7,f=-4.9) USER MOD Single : A 19 SER OG : rot -87:sc= 0.144 USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -0.0164 (180deg=-0.484) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -5.702 16.595 2.588 1.00 0.00 N ATOM 11 CA VAL A 2 -6.304 15.608 1.698 1.00 0.00 C ATOM 12 C VAL A 2 -5.224 14.848 0.934 1.00 0.00 C ATOM 13 O VAL A 2 -5.119 13.625 1.041 1.00 0.00 O ATOM 14 CB VAL A 2 -7.253 16.303 0.709 1.00 0.00 C ATOM 15 CG1 VAL A 2 -8.682 16.283 1.261 1.00 0.00 C ATOM 16 CG2 VAL A 2 -6.811 17.756 0.506 1.00 0.00 C ATOM 0 HA VAL A 2 -6.871 14.898 2.300 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.224 15.775 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.351 16.777 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.003 15.251 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.710 16.807 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.485 18.247 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.836 18.281 1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.796 17.775 0.108 1.00 0.00 H new ATOM 26 N VAL A 3 -4.423 15.576 0.163 1.00 0.00 N ATOM 27 CA VAL A 3 -3.357 14.957 -0.616 1.00 0.00 C ATOM 28 C VAL A 3 -2.370 14.239 0.300 1.00 0.00 C ATOM 29 O VAL A 3 -1.802 13.211 -0.069 1.00 0.00 O ATOM 30 CB VAL A 3 -2.619 16.022 -1.427 1.00 0.00 C ATOM 31 CG1 VAL A 3 -1.663 15.344 -2.411 1.00 0.00 C ATOM 32 CG2 VAL A 3 -3.634 16.864 -2.203 1.00 0.00 C ATOM 0 H VAL A 3 -4.491 16.589 0.061 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.803 14.228 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.052 16.663 -0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.137 16.104 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.940 14.742 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.230 14.703 -3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.109 17.624 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.200 16.221 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.316 17.347 -1.504 1.00 0.00 H new ATOM 42 N ASP A 4 -2.168 14.788 1.493 1.00 0.00 N ATOM 43 CA ASP A 4 -1.244 14.193 2.452 1.00 0.00 C ATOM 44 C ASP A 4 -1.797 12.879 2.997 1.00 0.00 C ATOM 45 O ASP A 4 -1.051 11.925 3.216 1.00 0.00 O ATOM 46 CB ASP A 4 -0.999 15.163 3.610 1.00 0.00 C ATOM 47 CG ASP A 4 0.203 14.705 4.428 1.00 0.00 C ATOM 48 OD1 ASP A 4 -0.002 13.996 5.398 1.00 0.00 O ATOM 49 OD2 ASP A 4 1.311 15.071 4.072 1.00 0.00 O ATOM 0 H ASP A 4 -2.628 15.638 1.818 1.00 0.00 H new ATOM 0 HA ASP A 4 -0.304 13.990 1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.825 16.167 3.223 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.883 15.215 4.245 1.00 0.00 H new ATOM 54 N ILE A 5 -3.107 12.838 3.221 1.00 0.00 N ATOM 55 CA ILE A 5 -3.746 11.636 3.749 1.00 0.00 C ATOM 56 C ILE A 5 -3.997 10.620 2.637 1.00 0.00 C ATOM 57 O ILE A 5 -3.953 9.412 2.870 1.00 0.00 O ATOM 58 CB ILE A 5 -5.073 12.004 4.416 1.00 0.00 C ATOM 59 CG1 ILE A 5 -4.800 12.881 5.641 1.00 0.00 C ATOM 60 CG2 ILE A 5 -5.796 10.729 4.855 1.00 0.00 C ATOM 61 CD1 ILE A 5 -6.099 13.560 6.082 1.00 0.00 C ATOM 0 H ILE A 5 -3.743 13.616 3.047 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.078 11.188 4.485 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.697 12.549 3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.400 12.275 6.454 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.047 13.632 5.403 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.741 10.992 5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.989 10.102 3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.173 10.183 5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.905 14.184 6.954 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.480 14.179 5.270 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.838 12.801 6.337 1.00 0.00 H new ATOM 73 N LEU A 6 -4.262 11.115 1.433 1.00 0.00 N ATOM 74 CA LEU A 6 -4.521 10.241 0.299 1.00 0.00 C ATOM 75 C LEU A 6 -3.319 9.336 0.035 1.00 0.00 C ATOM 76 O LEU A 6 -3.456 8.116 -0.051 1.00 0.00 O ATOM 77 CB LEU A 6 -4.817 11.090 -0.941 1.00 0.00 C ATOM 78 CG LEU A 6 -6.317 11.417 -1.007 1.00 0.00 C ATOM 79 CD1 LEU A 6 -6.526 12.714 -1.792 1.00 0.00 C ATOM 80 CD2 LEU A 6 -7.064 10.277 -1.707 1.00 0.00 C ATOM 0 H LEU A 6 -4.303 12.112 1.219 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.383 9.613 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.236 12.012 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.513 10.554 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.702 11.536 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.590 12.944 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.000 13.529 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.137 12.594 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.127 10.512 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.676 10.155 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.921 9.352 -1.149 1.00 0.00 H new ATOM 92 N LYS A 7 -2.144 9.943 -0.094 1.00 0.00 N ATOM 93 CA LYS A 7 -0.927 9.181 -0.349 1.00 0.00 C ATOM 94 C LYS A 7 -0.694 8.155 0.757 1.00 0.00 C ATOM 95 O LYS A 7 -0.416 6.987 0.484 1.00 0.00 O ATOM 96 CB LYS A 7 0.271 10.127 -0.443 1.00 0.00 C ATOM 97 CG LYS A 7 1.221 9.656 -1.550 1.00 0.00 C ATOM 98 CD LYS A 7 0.791 10.267 -2.877 1.00 0.00 C ATOM 99 CE LYS A 7 1.556 11.572 -3.117 1.00 0.00 C ATOM 100 NZ LYS A 7 2.923 11.261 -3.620 1.00 0.00 N ATOM 0 H LYS A 7 -2.009 10.952 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.042 8.652 -1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.070 11.141 -0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.797 10.158 0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.244 9.950 -1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.209 8.568 -1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.983 9.567 -3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.282 10.459 -2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.023 12.191 -3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.619 12.145 -2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.565 12.046 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.268 10.389 -3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.892 11.131 -4.651 1.00 0.00 H new ATOM 114 N GLY A 8 -0.808 8.599 2.005 1.00 0.00 N ATOM 115 CA GLY A 8 -0.607 7.710 3.143 1.00 0.00 C ATOM 116 C GLY A 8 -1.590 6.547 3.105 1.00 0.00 C ATOM 117 O GLY A 8 -1.343 5.492 3.689 1.00 0.00 O ATOM 0 H GLY A 8 -1.037 9.562 2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.414 7.329 3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.732 8.267 4.071 1.00 0.00 H new ATOM 121 N ALA A 9 -2.704 6.749 2.414 1.00 0.00 N ATOM 122 CA ALA A 9 -3.724 5.713 2.303 1.00 0.00 C ATOM 123 C ALA A 9 -3.295 4.644 1.303 1.00 0.00 C ATOM 124 O ALA A 9 -3.403 3.448 1.573 1.00 0.00 O ATOM 125 CB ALA A 9 -5.050 6.331 1.857 1.00 0.00 C ATOM 0 H ALA A 9 -2.924 7.616 1.924 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.852 5.249 3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.806 5.550 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.370 7.073 2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.920 6.811 0.887 1.00 0.00 H new ATOM 131 N ALA A 10 -2.808 5.084 0.147 1.00 0.00 N ATOM 132 CA ALA A 10 -2.366 4.156 -0.887 1.00 0.00 C ATOM 133 C ALA A 10 -1.230 3.278 -0.369 1.00 0.00 C ATOM 134 O ALA A 10 -1.033 2.159 -0.841 1.00 0.00 O ATOM 135 CB ALA A 10 -1.894 4.931 -2.118 1.00 0.00 C ATOM 0 H ALA A 10 -2.710 6.070 -0.096 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.207 3.519 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.566 4.230 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.715 5.534 -2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.064 5.582 -1.842 1.00 0.00 H new ATOM 141 N LYS A 11 -0.487 3.795 0.604 1.00 0.00 N ATOM 142 CA LYS A 11 0.625 3.050 1.181 1.00 0.00 C ATOM 143 C LYS A 11 0.115 1.950 2.107 1.00 0.00 C ATOM 144 O LYS A 11 0.715 0.881 2.205 1.00 0.00 O ATOM 145 CB LYS A 11 1.535 3.996 1.953 1.00 0.00 C ATOM 146 CG LYS A 11 2.964 3.446 1.971 1.00 0.00 C ATOM 147 CD LYS A 11 3.777 4.172 3.045 1.00 0.00 C ATOM 148 CE LYS A 11 5.266 3.894 2.833 1.00 0.00 C ATOM 149 NZ LYS A 11 5.752 4.663 1.652 1.00 0.00 N ATOM 0 H LYS A 11 -0.633 4.720 1.007 1.00 0.00 H new ATOM 0 HA LYS A 11 1.188 2.586 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.522 4.984 1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.169 4.115 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.950 2.375 2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.429 3.581 0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.586 5.244 2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.471 3.837 4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.830 4.177 3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.429 2.827 2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.787 4.755 1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.488 4.162 0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.320 5.609 1.652 1.00 0.00 H new ATOM 163 N ASP A 12 -0.996 2.221 2.784 1.00 0.00 N ATOM 164 CA ASP A 12 -1.578 1.247 3.699 1.00 0.00 C ATOM 165 C ASP A 12 -2.107 0.039 2.932 1.00 0.00 C ATOM 166 O ASP A 12 -1.895 -1.105 3.336 1.00 0.00 O ATOM 167 CB ASP A 12 -2.720 1.890 4.490 1.00 0.00 C ATOM 168 CG ASP A 12 -3.202 0.938 5.579 1.00 0.00 C ATOM 169 OD1 ASP A 12 -2.411 0.621 6.453 1.00 0.00 O ATOM 170 OD2 ASP A 12 -4.352 0.539 5.523 1.00 0.00 O ATOM 0 H ASP A 12 -1.508 3.101 2.717 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.801 0.915 4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.382 2.825 4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.544 2.136 3.820 1.00 0.00 H new ATOM 175 N ILE A 13 -2.793 0.301 1.825 1.00 0.00 N ATOM 176 CA ILE A 13 -3.347 -0.772 1.009 1.00 0.00 C ATOM 177 C ILE A 13 -2.240 -1.703 0.524 1.00 0.00 C ATOM 178 O ILE A 13 -2.355 -2.924 0.622 1.00 0.00 O ATOM 179 CB ILE A 13 -4.087 -0.184 -0.195 1.00 0.00 C ATOM 180 CG1 ILE A 13 -5.281 0.639 0.295 1.00 0.00 C ATOM 181 CG2 ILE A 13 -4.584 -1.318 -1.093 1.00 0.00 C ATOM 182 CD1 ILE A 13 -5.855 1.448 -0.870 1.00 0.00 C ATOM 0 H ILE A 13 -2.978 1.241 1.474 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.045 -1.344 1.620 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.410 0.456 -0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.046 -0.020 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.971 1.308 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.111 -0.899 -1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.734 -1.906 -1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.261 -1.959 -0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.705 2.034 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.088 2.117 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.181 0.770 -1.659 1.00 0.00 H new ATOM 194 N ALA A 14 -1.169 -1.116 -0.002 1.00 0.00 N ATOM 195 CA ALA A 14 -0.048 -1.903 -0.501 1.00 0.00 C ATOM 196 C ALA A 14 0.548 -2.756 0.614 1.00 0.00 C ATOM 197 O ALA A 14 1.314 -3.686 0.356 1.00 0.00 O ATOM 198 CB ALA A 14 1.029 -0.974 -1.067 1.00 0.00 C ATOM 0 H ALA A 14 -1.055 -0.107 -0.093 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.413 -2.561 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.864 -1.568 -1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.610 -0.387 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.381 -0.304 -0.282 1.00 0.00 H new ATOM 204 N GLY A 15 0.193 -2.433 1.853 1.00 0.00 N ATOM 205 CA GLY A 15 0.701 -3.174 3.001 1.00 0.00 C ATOM 206 C GLY A 15 0.285 -4.640 2.935 1.00 0.00 C ATOM 207 O GLY A 15 1.130 -5.531 2.849 1.00 0.00 O ATOM 0 H GLY A 15 -0.440 -1.668 2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.788 -3.102 3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.325 -2.727 3.922 1.00 0.00 H new ATOM 211 N HIS A 16 -1.021 -4.884 2.979 1.00 0.00 N ATOM 212 CA HIS A 16 -1.537 -6.247 2.927 1.00 0.00 C ATOM 213 C HIS A 16 -1.387 -6.828 1.525 1.00 0.00 C ATOM 214 O HIS A 16 -1.496 -8.039 1.330 1.00 0.00 O ATOM 215 CB HIS A 16 -3.011 -6.264 3.334 1.00 0.00 C ATOM 216 CG HIS A 16 -3.794 -5.365 2.417 1.00 0.00 C ATOM 217 ND1 HIS A 16 -4.365 -5.825 1.242 1.00 0.00 N ATOM 218 CD2 HIS A 16 -4.110 -4.031 2.490 1.00 0.00 C ATOM 219 CE1 HIS A 16 -4.989 -4.786 0.658 1.00 0.00 C ATOM 220 NE2 HIS A 16 -4.865 -3.667 1.378 1.00 0.00 N ATOM 0 H HIS A 16 -1.737 -4.161 3.050 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.961 -6.858 3.622 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -3.401 -7.281 3.285 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -3.118 -5.931 4.366 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -4.320 -6.779 0.884 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.818 -3.365 3.288 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.524 -4.849 -0.278 1.00 0.00 H new ATOM 228 N LEU A 17 -1.137 -5.960 0.550 1.00 0.00 N ATOM 229 CA LEU A 17 -0.976 -6.397 -0.828 1.00 0.00 C ATOM 230 C LEU A 17 0.436 -6.932 -1.056 1.00 0.00 C ATOM 231 O LEU A 17 0.620 -7.989 -1.662 1.00 0.00 O ATOM 232 CB LEU A 17 -1.249 -5.226 -1.769 1.00 0.00 C ATOM 233 CG LEU A 17 -1.916 -5.722 -3.055 1.00 0.00 C ATOM 234 CD1 LEU A 17 -1.041 -6.812 -3.666 1.00 0.00 C ATOM 235 CD2 LEU A 17 -3.321 -6.284 -2.756 1.00 0.00 C ATOM 0 H LEU A 17 -1.042 -4.954 0.690 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.686 -7.199 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.892 -4.497 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.315 -4.718 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.024 -4.891 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.502 -7.177 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.056 -6.404 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.939 -7.635 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.779 -6.631 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.239 -7.117 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.940 -5.502 -2.317 1.00 0.00 H new ATOM 247 N ALA A 18 1.429 -6.196 -0.568 1.00 0.00 N ATOM 248 CA ALA A 18 2.820 -6.606 -0.725 1.00 0.00 C ATOM 249 C ALA A 18 3.021 -8.023 -0.201 1.00 0.00 C ATOM 250 O ALA A 18 4.015 -8.677 -0.516 1.00 0.00 O ATOM 251 CB ALA A 18 3.737 -5.644 0.032 1.00 0.00 C ATOM 0 H ALA A 18 1.298 -5.319 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 18 3.069 -6.584 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.774 -5.957 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.613 -4.636 -0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.478 -5.652 1.091 1.00 0.00 H new ATOM 257 N SER A 19 2.070 -8.491 0.600 1.00 0.00 N ATOM 258 CA SER A 19 2.149 -9.835 1.163 1.00 0.00 C ATOM 259 C SER A 19 1.671 -10.867 0.147 1.00 0.00 C ATOM 260 O SER A 19 2.283 -11.921 -0.019 1.00 0.00 O ATOM 261 CB SER A 19 1.289 -9.921 2.427 1.00 0.00 C ATOM 262 OG SER A 19 0.038 -10.517 2.108 1.00 0.00 O ATOM 0 H SER A 19 1.240 -7.964 0.873 1.00 0.00 H new ATOM 0 HA SER A 19 3.188 -10.045 1.416 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.801 -10.509 3.189 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.134 -8.926 2.843 1.00 0.00 H new ATOM 0 HG SER A 19 -0.589 -9.824 1.813 1.00 0.00 H new ATOM 268 N LYS A 20 0.571 -10.553 -0.528 1.00 0.00 N ATOM 269 CA LYS A 20 0.012 -11.458 -1.526 1.00 0.00 C ATOM 270 C LYS A 20 1.115 -11.990 -2.441 1.00 0.00 C ATOM 271 O LYS A 20 1.239 -13.198 -2.642 1.00 0.00 O ATOM 272 CB LYS A 20 -1.050 -10.721 -2.360 1.00 0.00 C ATOM 273 CG LYS A 20 -2.352 -11.534 -2.401 1.00 0.00 C ATOM 274 CD LYS A 20 -3.108 -11.371 -1.078 1.00 0.00 C ATOM 275 CE LYS A 20 -4.533 -11.905 -1.236 1.00 0.00 C ATOM 276 NZ LYS A 20 -4.489 -13.272 -1.828 1.00 0.00 N ATOM 0 H LYS A 20 0.051 -9.684 -0.404 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.453 -12.301 -1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.241 -9.737 -1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.681 -10.561 -3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.975 -11.198 -3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.129 -12.587 -2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.592 -11.910 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.132 -10.321 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.032 -11.933 -0.267 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.114 -11.239 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.396 -13.753 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.320 -13.202 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.721 -13.817 -1.387 1.00 0.00 H new ATOM 290 N VAL A 21 1.912 -11.079 -2.989 1.00 0.00 N ATOM 291 CA VAL A 21 3.002 -11.468 -3.880 1.00 0.00 C ATOM 292 C VAL A 21 4.013 -12.338 -3.140 1.00 0.00 C ATOM 293 O VAL A 21 4.461 -13.362 -3.657 1.00 0.00 O ATOM 294 CB VAL A 21 3.700 -10.222 -4.425 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.785 -10.637 -5.420 1.00 0.00 C ATOM 296 CG2 VAL A 21 2.675 -9.333 -5.132 1.00 0.00 C ATOM 0 H VAL A 21 1.826 -10.074 -2.835 1.00 0.00 H new ATOM 0 HA VAL A 21 2.584 -12.041 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 21 4.154 -9.671 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.282 -9.748 -5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.516 -11.271 -4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.332 -11.188 -6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.171 -8.444 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.221 -9.885 -5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.901 -9.036 -4.424 1.00 0.00 H new