USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, 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 Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 1 ASN N :NH3+ -91:sc= -0.0746 (180deg=-0.595) USER MOD Single : A 5 GLN : amide:sc= 0.686 K(o=0.69,f=-1.4) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0152) USER MOD Single : A 8 CYS SG : rot 81:sc= 0.0938 USER MOD Single : A 9 LYS NZ :NH3+ -171:sc=-0.00435 (180deg=-0.0962) USER MOD Single : A 13 THR OG1 : rot -31:sc= 0.4 USER MOD Single : A 25 SER OG : rot -37:sc= -0.351 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -2.643 9.775 0.240 1.00 0.00 N ATOM 2 CA ASN A 1 -3.638 9.364 -0.765 1.00 0.00 C ATOM 3 C ASN A 1 -4.447 8.184 -0.250 1.00 0.00 C ATOM 4 O ASN A 1 -3.919 7.076 -0.144 1.00 0.00 O ATOM 5 CB ASN A 1 -2.952 8.938 -2.083 1.00 0.00 C ATOM 6 CG ASN A 1 -2.240 10.057 -2.826 1.00 0.00 C ATOM 7 OD1 ASN A 1 -2.646 11.217 -2.788 1.00 0.00 O ATOM 8 ND2 ASN A 1 -1.181 9.723 -3.518 1.00 0.00 N ATOM 0 H1 ASN A 1 -3.055 10.502 0.859 1.00 0.00 H new ATOM 0 H3 ASN A 1 -1.805 10.162 -0.239 1.00 0.00 H new ATOM 0 HA ASN A 1 -4.288 10.219 -0.951 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -2.230 8.152 -1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -3.703 8.504 -2.743 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -0.670 10.433 -4.043 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -0.866 8.753 -3.532 1.00 0.00 H new ATOM 15 N PRO A 2 -5.745 8.385 0.049 1.00 0.00 N ATOM 16 CA PRO A 2 -6.600 7.343 0.645 1.00 0.00 C ATOM 17 C PRO A 2 -6.703 6.097 -0.231 1.00 0.00 C ATOM 18 O PRO A 2 -6.729 4.980 0.269 1.00 0.00 O ATOM 19 CB PRO A 2 -7.966 8.023 0.765 1.00 0.00 C ATOM 20 CG PRO A 2 -7.671 9.480 0.741 1.00 0.00 C ATOM 21 CD PRO A 2 -6.491 9.642 -0.158 1.00 0.00 C ATOM 0 HA PRO A 2 -6.199 6.989 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.622 7.739 -0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.470 7.737 1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.526 10.046 0.370 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.453 9.851 1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.790 9.768 -1.199 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.895 10.514 0.110 1.00 0.00 H new ATOM 29 N GLU A 3 -6.710 6.305 -1.534 1.00 0.00 N ATOM 30 CA GLU A 3 -6.809 5.215 -2.507 1.00 0.00 C ATOM 31 C GLU A 3 -5.574 4.341 -2.441 1.00 0.00 C ATOM 32 O GLU A 3 -5.659 3.110 -2.523 1.00 0.00 O ATOM 33 CB GLU A 3 -6.968 5.746 -3.947 1.00 0.00 C ATOM 34 CG GLU A 3 -8.255 6.519 -4.240 1.00 0.00 C ATOM 35 CD GLU A 3 -8.403 7.768 -3.416 1.00 0.00 C ATOM 36 OE1 GLU A 3 -9.315 7.827 -2.576 1.00 0.00 O ATOM 37 OE2 GLU A 3 -7.583 8.693 -3.575 1.00 0.00 O ATOM 0 H GLU A 3 -6.648 7.232 -1.956 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.695 4.634 -2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.120 6.394 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.912 4.901 -4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.277 6.785 -5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.110 5.869 -4.057 1.00 0.00 H new ATOM 44 N LEU A 4 -4.436 4.979 -2.257 1.00 0.00 N ATOM 45 CA LEU A 4 -3.179 4.283 -2.216 1.00 0.00 C ATOM 46 C LEU A 4 -3.030 3.585 -0.871 1.00 0.00 C ATOM 47 O LEU A 4 -2.461 2.518 -0.788 1.00 0.00 O ATOM 48 CB LEU A 4 -2.023 5.257 -2.486 1.00 0.00 C ATOM 49 CG LEU A 4 -0.635 4.645 -2.728 1.00 0.00 C ATOM 50 CD1 LEU A 4 -0.676 3.631 -3.863 1.00 0.00 C ATOM 51 CD2 LEU A 4 0.353 5.740 -3.065 1.00 0.00 C ATOM 0 H LEU A 4 -4.363 5.989 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.152 3.523 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.284 5.859 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.949 5.938 -1.638 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.323 4.133 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.319 3.213 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.371 2.830 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.005 4.123 -4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.337 5.303 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.026 6.261 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.409 6.447 -2.237 1.00 0.00 H new ATOM 63 N GLN A 5 -3.577 4.193 0.171 1.00 0.00 N ATOM 64 CA GLN A 5 -3.578 3.590 1.500 1.00 0.00 C ATOM 65 C GLN A 5 -4.468 2.356 1.505 1.00 0.00 C ATOM 66 O GLN A 5 -4.067 1.283 1.957 1.00 0.00 O ATOM 67 CB GLN A 5 -4.103 4.560 2.542 1.00 0.00 C ATOM 68 CG GLN A 5 -3.319 5.842 2.684 1.00 0.00 C ATOM 69 CD GLN A 5 -3.945 6.743 3.713 1.00 0.00 C ATOM 70 OE1 GLN A 5 -5.160 6.712 3.921 1.00 0.00 O ATOM 71 NE2 GLN A 5 -3.154 7.555 4.339 1.00 0.00 N ATOM 0 H GLN A 5 -4.028 5.107 0.124 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.550 3.323 1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.135 4.810 2.294 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.120 4.055 3.508 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.292 5.615 2.970 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.276 6.355 1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.154 7.549 4.138 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.531 8.200 5.033 1.00 0.00 H new ATOM 80 N ARG A 6 -5.688 2.509 1.001 1.00 0.00 N ATOM 81 CA ARG A 6 -6.640 1.406 0.929 1.00 0.00 C ATOM 82 C ARG A 6 -6.095 0.254 0.120 1.00 0.00 C ATOM 83 O ARG A 6 -6.343 -0.907 0.442 1.00 0.00 O ATOM 84 CB ARG A 6 -7.974 1.828 0.338 1.00 0.00 C ATOM 85 CG ARG A 6 -8.839 2.699 1.227 1.00 0.00 C ATOM 86 CD ARG A 6 -10.264 2.668 0.713 1.00 0.00 C ATOM 87 NE ARG A 6 -10.713 1.268 0.622 1.00 0.00 N ATOM 88 CZ ARG A 6 -11.741 0.803 -0.086 1.00 0.00 C ATOM 89 NH1 ARG A 6 -12.592 1.633 -0.671 1.00 0.00 N ATOM 90 NH2 ARG A 6 -11.917 -0.511 -0.193 1.00 0.00 N ATOM 0 H ARG A 6 -6.043 3.392 0.634 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.799 1.087 1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.785 2.364 -0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.537 0.931 0.081 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.802 2.341 2.256 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.463 3.722 1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.917 3.230 1.381 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.321 3.146 -0.265 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.181 0.582 1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.464 2.641 -0.582 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.375 1.264 -1.210 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.268 -1.151 0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.701 -0.878 -0.733 1.00 0.00 H new ATOM 104 N LYS A 7 -5.310 0.594 -0.894 1.00 0.00 N ATOM 105 CA LYS A 7 -4.704 -0.359 -1.810 1.00 0.00 C ATOM 106 C LYS A 7 -3.931 -1.428 -1.040 1.00 0.00 C ATOM 107 O LYS A 7 -3.945 -2.589 -1.413 1.00 0.00 O ATOM 108 CB LYS A 7 -3.760 0.390 -2.749 1.00 0.00 C ATOM 109 CG LYS A 7 -3.307 -0.380 -3.973 1.00 0.00 C ATOM 110 CD LYS A 7 -2.333 0.459 -4.783 1.00 0.00 C ATOM 111 CE LYS A 7 -2.083 -0.120 -6.161 1.00 0.00 C ATOM 112 NZ LYS A 7 -1.543 -1.482 -6.125 1.00 0.00 N ATOM 0 H LYS A 7 -5.072 1.563 -1.106 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.487 -0.853 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.254 1.304 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.878 0.691 -2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.832 -1.313 -3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.169 -0.645 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.724 1.471 -4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.388 0.534 -4.246 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.017 -0.121 -6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.388 0.525 -6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.299 -1.784 -7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.691 -1.502 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.256 -2.128 -5.730 1.00 0.00 H new ATOM 126 N CYS A 8 -3.309 -1.025 0.062 1.00 0.00 N ATOM 127 CA CYS A 8 -2.524 -1.926 0.902 1.00 0.00 C ATOM 128 C CYS A 8 -3.396 -3.034 1.457 1.00 0.00 C ATOM 129 O CYS A 8 -3.048 -4.200 1.386 1.00 0.00 O ATOM 130 CB CYS A 8 -1.927 -1.171 2.081 1.00 0.00 C ATOM 131 SG CYS A 8 -1.014 0.337 1.652 1.00 0.00 S ATOM 0 H CYS A 8 -3.334 -0.063 0.400 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.733 -2.345 0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.732 -0.906 2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.257 -1.841 2.619 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.852 1.313 1.466 1.00 0.00 H new ATOM 136 N LYS A 9 -4.562 -2.659 1.950 1.00 0.00 N ATOM 137 CA LYS A 9 -5.454 -3.594 2.610 1.00 0.00 C ATOM 138 C LYS A 9 -6.203 -4.413 1.588 1.00 0.00 C ATOM 139 O LYS A 9 -6.563 -5.562 1.840 1.00 0.00 O ATOM 140 CB LYS A 9 -6.436 -2.849 3.509 1.00 0.00 C ATOM 141 CG LYS A 9 -5.777 -1.956 4.559 1.00 0.00 C ATOM 142 CD LYS A 9 -4.904 -2.734 5.551 1.00 0.00 C ATOM 143 CE LYS A 9 -5.704 -3.707 6.410 1.00 0.00 C ATOM 144 NZ LYS A 9 -6.715 -3.023 7.250 1.00 0.00 N ATOM 0 H LYS A 9 -4.916 -1.703 1.905 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.857 -4.265 3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.088 -2.236 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.071 -3.577 4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.165 -1.206 4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.551 -1.420 5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.141 -3.285 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.383 -2.029 6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.202 -4.431 5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.022 -4.266 7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.125 -3.702 7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.263 -2.247 7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.468 -2.639 6.644 1.00 0.00 H new ATOM 158 N GLU A 10 -6.439 -3.818 0.440 1.00 0.00 N ATOM 159 CA GLU A 10 -7.093 -4.511 -0.641 1.00 0.00 C ATOM 160 C GLU A 10 -6.126 -5.528 -1.264 1.00 0.00 C ATOM 161 O GLU A 10 -6.548 -6.523 -1.853 1.00 0.00 O ATOM 162 CB GLU A 10 -7.586 -3.525 -1.703 1.00 0.00 C ATOM 163 CG GLU A 10 -8.537 -2.445 -1.192 1.00 0.00 C ATOM 164 CD GLU A 10 -9.735 -2.992 -0.459 1.00 0.00 C ATOM 165 OE1 GLU A 10 -10.372 -3.938 -0.953 1.00 0.00 O ATOM 166 OE2 GLU A 10 -10.091 -2.453 0.615 1.00 0.00 O ATOM 0 H GLU A 10 -6.186 -2.852 0.233 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.960 -5.038 -0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.721 -3.041 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.088 -4.085 -2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.990 -1.776 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.880 -1.846 -2.036 1.00 0.00 H new ATOM 173 N LEU A 11 -4.833 -5.247 -1.145 1.00 0.00 N ATOM 174 CA LEU A 11 -3.786 -6.127 -1.627 1.00 0.00 C ATOM 175 C LEU A 11 -3.568 -7.225 -0.583 1.00 0.00 C ATOM 176 O LEU A 11 -3.808 -8.409 -0.846 1.00 0.00 O ATOM 177 CB LEU A 11 -2.485 -5.306 -1.832 1.00 0.00 C ATOM 178 CG LEU A 11 -1.374 -5.875 -2.747 1.00 0.00 C ATOM 179 CD1 LEU A 11 -0.238 -4.879 -2.846 1.00 0.00 C ATOM 180 CD2 LEU A 11 -0.840 -7.210 -2.259 1.00 0.00 C ATOM 0 H LEU A 11 -4.484 -4.394 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.065 -6.579 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.770 -4.331 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.046 -5.135 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.819 -6.044 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.543 -5.281 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.609 -3.944 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.171 -4.693 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.064 -7.562 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.421 -7.091 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.652 -7.937 -2.228 1.00 0.00 H new ATOM 204 N THR A 13 -0.651 -8.393 2.341 1.00 0.00 N ATOM 205 CA THR A 13 0.685 -8.206 2.880 1.00 0.00 C ATOM 206 C THR A 13 1.765 -8.375 1.796 1.00 0.00 C ATOM 207 O THR A 13 2.947 -8.080 2.016 1.00 0.00 O ATOM 208 CB THR A 13 0.925 -9.216 4.008 1.00 0.00 C ATOM 209 OG1 THR A 13 0.443 -10.505 3.584 1.00 0.00 O ATOM 210 CG2 THR A 13 0.210 -8.794 5.283 1.00 0.00 C ATOM 0 HA THR A 13 0.755 -7.189 3.265 1.00 0.00 H new ATOM 0 HB THR A 13 1.993 -9.262 4.222 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.319 -10.387 2.980 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.398 -9.529 6.066 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.581 -7.820 5.603 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.862 -8.730 5.095 1.00 0.00 H new ATOM 218 N ARG A 14 1.347 -8.817 0.621 1.00 0.00 N ATOM 219 CA ARG A 14 2.266 -9.104 -0.476 1.00 0.00 C ATOM 220 C ARG A 14 2.759 -7.806 -1.138 1.00 0.00 C ATOM 221 O ARG A 14 2.128 -6.759 -0.987 1.00 0.00 O ATOM 222 CB ARG A 14 1.590 -10.038 -1.488 1.00 0.00 C ATOM 223 CG ARG A 14 1.209 -11.404 -0.909 1.00 0.00 C ATOM 224 CD ARG A 14 2.429 -12.188 -0.459 1.00 0.00 C ATOM 225 NE ARG A 14 3.335 -12.477 -1.574 1.00 0.00 N ATOM 226 CZ ARG A 14 4.660 -12.675 -1.465 1.00 0.00 C ATOM 227 NH1 ARG A 14 5.271 -12.563 -0.277 1.00 0.00 N ATOM 228 NH2 ARG A 14 5.368 -12.973 -2.541 1.00 0.00 N ATOM 0 H ARG A 14 0.366 -8.987 0.398 1.00 0.00 H new ATOM 0 HA ARG A 14 3.146 -9.610 -0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.692 -9.554 -1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.260 -10.187 -2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.535 -11.265 -0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.665 -11.978 -1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.962 -11.622 0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.110 -13.123 0.001 1.00 0.00 H new ATOM 0 HE ARG A 14 2.928 -12.532 -2.507 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.730 -12.326 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.277 -12.715 -0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.908 -13.052 -3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.374 -13.124 -2.464 1.00 0.00 H new ATOM 406 N SER A 25 1.735 7.087 2.134 1.00 0.00 N ATOM 407 CA SER A 25 1.139 8.202 1.435 1.00 0.00 C ATOM 408 C SER A 25 -0.089 8.744 2.194 1.00 0.00 C ATOM 409 O SER A 25 -0.579 8.116 3.157 1.00 0.00 O ATOM 410 CB SER A 25 0.763 7.783 0.018 1.00 0.00 C ATOM 411 OG SER A 25 -0.097 6.654 0.037 1.00 0.00 O ATOM 0 HA SER A 25 1.870 9.008 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.272 8.611 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.665 7.549 -0.548 1.00 0.00 H new ATOM 0 HG SER A 25 0.168 6.053 0.764 1.00 0.00 H new ATOM 417 N ASP A 26 -0.553 9.915 1.795 1.00 0.00 N ATOM 418 CA ASP A 26 -1.760 10.513 2.371 1.00 0.00 C ATOM 419 C ASP A 26 -2.952 10.157 1.492 1.00 0.00 C ATOM 420 O ASP A 26 -4.098 10.203 1.933 1.00 0.00 O ATOM 421 CB ASP A 26 -1.614 12.047 2.482 1.00 0.00 C ATOM 422 CG ASP A 26 -2.792 12.735 3.154 1.00 0.00 C ATOM 423 OD1 ASP A 26 -3.720 13.204 2.450 1.00 0.00 O ATOM 424 OD2 ASP A 26 -2.788 12.858 4.401 1.00 0.00 O ATOM 0 H ASP A 26 -0.113 10.480 1.069 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.912 10.120 3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.706 12.275 3.041 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.486 12.462 1.482 1.00 0.00 H new