USER MOD reduce.3.24.130724 H: found=0, std=0, add=126, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 127 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 NoAdj-H: A 1 ASN H2 : A 1 ASN N : A 26 ASP C :(NH2R) USER MOD NoAdj-H: A 1 ASN H3 : A 1 ASN N : A 26 ASP C :(NH2R) USER MOD Single : A 1 ASN : amide:sc= -0.923 K(o=-0.92,f=-5.2!) USER MOD Single : A 1 ASN N :NH3+ -140:sc= 0 (180deg=-0.34) USER MOD Single : A 5 GLN : amide:sc= -0.868 K(o=-0.87,f=-0.099) USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= 1.11 (180deg=0.948) USER MOD Single : A 8 CYS SG : rot 65:sc= 1.04 USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= -0.0239 (180deg=-0.174) USER MOD Single : A 13 THR OG1 : rot 21:sc= 0.566 USER MOD Single : A 25 SER OG : rot 29:sc= 0.125 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -2.479 8.815 1.188 1.00 0.00 N ATOM 2 CA ASN A 1 -3.408 8.709 0.062 1.00 0.00 C ATOM 3 C ASN A 1 -4.338 7.504 0.193 1.00 0.00 C ATOM 4 O ASN A 1 -3.879 6.344 0.202 1.00 0.00 O ATOM 5 CB ASN A 1 -2.650 8.641 -1.262 1.00 0.00 C ATOM 6 CG ASN A 1 -1.872 9.895 -1.586 1.00 0.00 C ATOM 7 OD1 ASN A 1 -0.694 10.023 -1.238 1.00 0.00 O ATOM 8 ND2 ASN A 1 -2.502 10.816 -2.264 1.00 0.00 N ATOM 0 H1 ASN A 1 -2.377 9.813 1.461 1.00 0.00 H new ATOM 0 HA ASN A 1 -4.025 9.608 0.076 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -1.962 7.796 -1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -3.360 8.447 -2.066 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -2.021 11.677 -2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -3.475 10.675 -2.534 1.00 0.00 H new ATOM 15 N PRO A 2 -5.663 7.761 0.256 1.00 0.00 N ATOM 16 CA PRO A 2 -6.680 6.731 0.504 1.00 0.00 C ATOM 17 C PRO A 2 -6.656 5.574 -0.493 1.00 0.00 C ATOM 18 O PRO A 2 -6.678 4.425 -0.094 1.00 0.00 O ATOM 19 CB PRO A 2 -8.017 7.486 0.433 1.00 0.00 C ATOM 20 CG PRO A 2 -7.706 8.770 -0.256 1.00 0.00 C ATOM 21 CD PRO A 2 -6.283 9.094 0.084 1.00 0.00 C ATOM 0 HA PRO A 2 -6.501 6.249 1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.763 6.914 -0.119 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.423 7.662 1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.836 8.675 -1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.376 9.563 0.077 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.799 9.663 -0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.212 9.691 0.993 1.00 0.00 H new ATOM 29 N GLU A 3 -6.552 5.868 -1.779 1.00 0.00 N ATOM 30 CA GLU A 3 -6.592 4.821 -2.784 1.00 0.00 C ATOM 31 C GLU A 3 -5.273 4.073 -2.900 1.00 0.00 C ATOM 32 O GLU A 3 -5.204 2.985 -3.483 1.00 0.00 O ATOM 33 CB GLU A 3 -7.097 5.325 -4.124 1.00 0.00 C ATOM 34 CG GLU A 3 -8.523 5.856 -4.058 1.00 0.00 C ATOM 35 CD GLU A 3 -9.491 4.849 -3.463 1.00 0.00 C ATOM 36 OE1 GLU A 3 -9.850 3.865 -4.144 1.00 0.00 O ATOM 37 OE2 GLU A 3 -9.937 5.031 -2.310 1.00 0.00 O ATOM 0 H GLU A 3 -6.440 6.812 -2.148 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.323 4.091 -2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.437 6.115 -4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.049 4.516 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.540 6.768 -3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.854 6.125 -5.061 1.00 0.00 H new ATOM 44 N LEU A 4 -4.231 4.643 -2.349 1.00 0.00 N ATOM 45 CA LEU A 4 -2.975 3.932 -2.238 1.00 0.00 C ATOM 46 C LEU A 4 -3.109 2.915 -1.134 1.00 0.00 C ATOM 47 O LEU A 4 -2.812 1.737 -1.315 1.00 0.00 O ATOM 48 CB LEU A 4 -1.785 4.874 -1.974 1.00 0.00 C ATOM 49 CG LEU A 4 -1.096 5.500 -3.204 1.00 0.00 C ATOM 50 CD1 LEU A 4 -2.038 6.372 -4.008 1.00 0.00 C ATOM 51 CD2 LEU A 4 0.128 6.288 -2.778 1.00 0.00 C ATOM 0 H LEU A 4 -4.223 5.591 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.764 3.441 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.131 5.684 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.034 4.320 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.786 4.682 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.507 6.790 -4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.877 5.772 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.409 7.182 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.604 6.724 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.171 7.083 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.832 5.624 -2.276 1.00 0.00 H new ATOM 63 N GLN A 5 -3.646 3.370 -0.016 1.00 0.00 N ATOM 64 CA GLN A 5 -3.867 2.522 1.144 1.00 0.00 C ATOM 65 C GLN A 5 -4.965 1.490 0.854 1.00 0.00 C ATOM 66 O GLN A 5 -4.980 0.407 1.438 1.00 0.00 O ATOM 67 CB GLN A 5 -4.227 3.377 2.358 1.00 0.00 C ATOM 68 CG GLN A 5 -3.165 4.421 2.693 1.00 0.00 C ATOM 69 CD GLN A 5 -3.515 5.296 3.885 1.00 0.00 C ATOM 70 OE1 GLN A 5 -2.632 5.771 4.594 1.00 0.00 O ATOM 71 NE2 GLN A 5 -4.781 5.513 4.118 1.00 0.00 N ATOM 0 H GLN A 5 -3.941 4.338 0.114 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.947 1.981 1.365 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.176 3.880 2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.374 2.728 3.221 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.221 3.914 2.892 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.007 5.057 1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.489 5.103 3.509 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.062 6.092 4.909 1.00 0.00 H new ATOM 80 N ARG A 6 -5.863 1.835 -0.063 1.00 0.00 N ATOM 81 CA ARG A 6 -6.939 0.962 -0.519 1.00 0.00 C ATOM 82 C ARG A 6 -6.345 -0.288 -1.144 1.00 0.00 C ATOM 83 O ARG A 6 -6.786 -1.411 -0.879 1.00 0.00 O ATOM 84 CB ARG A 6 -7.760 1.678 -1.582 1.00 0.00 C ATOM 85 CG ARG A 6 -9.084 1.026 -1.896 1.00 0.00 C ATOM 86 CD ARG A 6 -10.071 1.313 -0.794 1.00 0.00 C ATOM 87 NE ARG A 6 -10.315 2.758 -0.689 1.00 0.00 N ATOM 88 CZ ARG A 6 -10.907 3.380 0.322 1.00 0.00 C ATOM 89 NH1 ARG A 6 -11.364 2.699 1.366 1.00 0.00 N ATOM 90 NH2 ARG A 6 -11.046 4.696 0.270 1.00 0.00 N ATOM 0 H ARG A 6 -5.863 2.747 -0.519 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.568 0.700 0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.942 2.701 -1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.172 1.737 -2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.467 1.400 -2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.952 -0.050 -2.007 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.008 0.793 -0.992 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.689 0.932 0.153 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.999 3.337 -1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.262 1.685 1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.817 3.190 2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.700 5.214 -0.538 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.499 5.192 1.038 1.00 0.00 H new ATOM 104 N LYS A 7 -5.321 -0.088 -1.957 1.00 0.00 N ATOM 105 CA LYS A 7 -4.647 -1.185 -2.620 1.00 0.00 C ATOM 106 C LYS A 7 -3.907 -2.031 -1.616 1.00 0.00 C ATOM 107 O LYS A 7 -3.802 -3.239 -1.773 1.00 0.00 O ATOM 108 CB LYS A 7 -3.731 -0.689 -3.749 1.00 0.00 C ATOM 109 CG LYS A 7 -4.492 -0.068 -4.917 1.00 0.00 C ATOM 110 CD LYS A 7 -5.410 -1.097 -5.562 1.00 0.00 C ATOM 111 CE LYS A 7 -6.289 -0.507 -6.643 1.00 0.00 C ATOM 112 NZ LYS A 7 -7.275 -1.502 -7.105 1.00 0.00 N ATOM 0 H LYS A 7 -4.938 0.832 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.401 -1.815 -3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.035 0.047 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.134 -1.524 -4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.078 0.782 -4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.788 0.314 -5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.806 -1.898 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.040 -1.547 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.804 0.374 -6.261 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.674 -0.179 -7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.013 -1.027 -7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.799 -2.214 -7.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.709 -1.968 -6.283 1.00 0.00 H new ATOM 126 N CYS A 8 -3.453 -1.404 -0.567 1.00 0.00 N ATOM 127 CA CYS A 8 -2.798 -2.103 0.512 1.00 0.00 C ATOM 128 C CYS A 8 -3.812 -2.909 1.282 1.00 0.00 C ATOM 129 O CYS A 8 -3.510 -3.961 1.774 1.00 0.00 O ATOM 130 CB CYS A 8 -2.125 -1.119 1.424 1.00 0.00 C ATOM 131 SG CYS A 8 -1.019 -0.020 0.535 1.00 0.00 S ATOM 0 H CYS A 8 -3.525 -0.395 -0.432 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.045 -2.775 0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.882 -0.530 1.942 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.563 -1.658 2.187 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.708 0.727 -0.275 1.00 0.00 H new ATOM 136 N LYS A 9 -5.029 -2.411 1.341 1.00 0.00 N ATOM 137 CA LYS A 9 -6.110 -3.090 2.010 1.00 0.00 C ATOM 138 C LYS A 9 -6.505 -4.325 1.196 1.00 0.00 C ATOM 139 O LYS A 9 -6.855 -5.359 1.749 1.00 0.00 O ATOM 140 CB LYS A 9 -7.292 -2.129 2.186 1.00 0.00 C ATOM 141 CG LYS A 9 -8.439 -2.666 3.011 1.00 0.00 C ATOM 142 CD LYS A 9 -9.531 -1.622 3.167 1.00 0.00 C ATOM 143 CE LYS A 9 -10.700 -2.138 3.995 1.00 0.00 C ATOM 144 NZ LYS A 9 -10.291 -2.535 5.359 1.00 0.00 N ATOM 0 H LYS A 9 -5.294 -1.519 0.923 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.796 -3.417 3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.929 -1.212 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.670 -1.858 1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.848 -3.557 2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.076 -2.967 3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.117 -0.732 3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.889 -1.322 2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.466 -1.365 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.150 -2.993 3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.137 -2.701 5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.727 -3.407 5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.721 -1.776 5.785 1.00 0.00 H new ATOM 158 N GLU A 10 -6.428 -4.201 -0.125 1.00 0.00 N ATOM 159 CA GLU A 10 -6.695 -5.321 -1.022 1.00 0.00 C ATOM 160 C GLU A 10 -5.558 -6.358 -0.935 1.00 0.00 C ATOM 161 O GLU A 10 -5.795 -7.567 -0.777 1.00 0.00 O ATOM 162 CB GLU A 10 -6.866 -4.837 -2.478 1.00 0.00 C ATOM 163 CG GLU A 10 -8.037 -3.879 -2.686 1.00 0.00 C ATOM 164 CD GLU A 10 -8.259 -3.516 -4.143 1.00 0.00 C ATOM 165 OE1 GLU A 10 -8.032 -2.353 -4.538 1.00 0.00 O ATOM 166 OE2 GLU A 10 -8.659 -4.395 -4.928 1.00 0.00 O ATOM 0 H GLU A 10 -6.182 -3.333 -0.600 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.627 -5.791 -0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.947 -4.344 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.002 -5.705 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.945 -4.333 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.859 -2.968 -2.114 1.00 0.00 H new ATOM 173 N LEU A 11 -4.334 -5.877 -0.998 1.00 0.00 N ATOM 174 CA LEU A 11 -3.157 -6.732 -0.971 1.00 0.00 C ATOM 175 C LEU A 11 -2.881 -7.310 0.416 1.00 0.00 C ATOM 176 O LEU A 11 -2.369 -8.413 0.540 1.00 0.00 O ATOM 177 CB LEU A 11 -1.928 -5.970 -1.461 1.00 0.00 C ATOM 178 CG LEU A 11 -1.946 -5.490 -2.915 1.00 0.00 C ATOM 179 CD1 LEU A 11 -0.688 -4.699 -3.220 1.00 0.00 C ATOM 180 CD2 LEU A 11 -2.079 -6.666 -3.873 1.00 0.00 C ATOM 0 H LEU A 11 -4.123 -4.882 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.365 -7.567 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.789 -5.101 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.056 -6.609 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.812 -4.842 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.712 -4.363 -4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.633 -3.834 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.186 -5.331 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.090 -6.300 -4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.235 -7.343 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.008 -7.199 -3.668 1.00 0.00 H new ATOM 204 N THR A 13 -0.663 -7.683 3.106 1.00 0.00 N ATOM 205 CA THR A 13 0.747 -7.511 3.359 1.00 0.00 C ATOM 206 C THR A 13 1.509 -7.938 2.084 1.00 0.00 C ATOM 207 O THR A 13 2.739 -7.925 2.013 1.00 0.00 O ATOM 208 CB THR A 13 1.170 -8.398 4.550 1.00 0.00 C ATOM 209 OG1 THR A 13 0.092 -8.420 5.520 1.00 0.00 O ATOM 210 CG2 THR A 13 2.407 -7.824 5.222 1.00 0.00 C ATOM 0 HA THR A 13 0.972 -6.473 3.604 1.00 0.00 H new ATOM 0 HB THR A 13 1.388 -9.402 4.186 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.747 -8.163 5.083 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.694 -8.459 6.060 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.225 -7.781 4.503 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.190 -6.820 5.586 1.00 0.00 H new ATOM 218 N ARG A 14 0.736 -8.281 1.066 1.00 0.00 N ATOM 219 CA ARG A 14 1.266 -8.756 -0.200 1.00 0.00 C ATOM 220 C ARG A 14 1.693 -7.552 -1.048 1.00 0.00 C ATOM 221 O ARG A 14 1.152 -6.462 -0.872 1.00 0.00 O ATOM 222 CB ARG A 14 0.186 -9.586 -0.922 1.00 0.00 C ATOM 223 CG ARG A 14 -0.277 -10.815 -0.132 1.00 0.00 C ATOM 224 CD ARG A 14 -1.449 -11.530 -0.807 1.00 0.00 C ATOM 225 NE ARG A 14 -2.671 -10.694 -0.867 1.00 0.00 N ATOM 226 CZ ARG A 14 -3.762 -10.977 -1.594 1.00 0.00 C ATOM 227 NH1 ARG A 14 -3.799 -12.093 -2.298 1.00 0.00 N ATOM 228 NH2 ARG A 14 -4.820 -10.145 -1.599 1.00 0.00 N ATOM 0 H ARG A 14 -0.283 -8.237 1.096 1.00 0.00 H new ATOM 0 HA ARG A 14 2.136 -9.391 -0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.675 -8.949 -1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.575 -9.911 -1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.556 -11.510 -0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.570 -10.510 0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.160 -11.817 -1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.669 -12.450 -0.265 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.683 -9.838 -0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.003 -12.730 -2.286 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.624 -12.318 -2.854 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.798 -9.288 -1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.644 -10.371 -2.156 1.00 0.00 H new ATOM 406 N SER A 25 2.717 7.697 2.374 1.00 0.00 N ATOM 407 CA SER A 25 1.664 8.450 1.749 1.00 0.00 C ATOM 408 C SER A 25 0.362 8.155 2.484 1.00 0.00 C ATOM 409 O SER A 25 0.102 7.007 2.849 1.00 0.00 O ATOM 410 CB SER A 25 1.546 8.067 0.273 1.00 0.00 C ATOM 411 OG SER A 25 2.793 8.231 -0.399 1.00 0.00 O ATOM 0 HA SER A 25 1.883 9.516 1.802 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.216 7.032 0.188 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.786 8.684 -0.207 1.00 0.00 H new ATOM 0 HG SER A 25 3.527 8.099 0.237 1.00 0.00 H new ATOM 417 N ASP A 26 -0.434 9.171 2.714 1.00 0.00 N ATOM 418 CA ASP A 26 -1.700 9.037 3.452 1.00 0.00 C ATOM 419 C ASP A 26 -2.851 8.863 2.459 1.00 0.00 C ATOM 420 O ASP A 26 -4.016 8.739 2.829 1.00 0.00 O ATOM 421 CB ASP A 26 -1.898 10.298 4.333 1.00 0.00 C ATOM 422 CG ASP A 26 -3.132 10.274 5.225 1.00 0.00 C ATOM 423 OD1 ASP A 26 -3.078 9.690 6.326 1.00 0.00 O ATOM 424 OD2 ASP A 26 -4.156 10.895 4.867 1.00 0.00 O ATOM 0 H ASP A 26 -0.236 10.121 2.401 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.678 8.160 4.099 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.017 10.425 4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.955 11.171 3.683 1.00 0.00 H new