USER MOD reduce.3.24.130724 H: found=0, std=0, add=126, rem=0, adj=4 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= -0.673 K(o=-0.67,f=-0.0052) USER MOD Single : A 1 ASN N :NH3+ -127:sc= -0.0516 (180deg=-0.332) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 72:sc= 0.79 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -37:sc= 0.243 USER MOD Single : A 25 SER OG : rot -24:sc= 0.174 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -2.265 8.658 1.067 1.00 0.00 N ATOM 2 CA ASN A 1 -3.328 8.587 0.051 1.00 0.00 C ATOM 3 C ASN A 1 -4.329 7.488 0.391 1.00 0.00 C ATOM 4 O ASN A 1 -3.969 6.297 0.429 1.00 0.00 O ATOM 5 CB ASN A 1 -2.759 8.357 -1.360 1.00 0.00 C ATOM 6 CG ASN A 1 -1.807 9.446 -1.849 1.00 0.00 C ATOM 7 OD1 ASN A 1 -0.929 9.184 -2.671 1.00 0.00 O ATOM 8 ND2 ASN A 1 -1.948 10.652 -1.359 1.00 0.00 N ATOM 0 H1 ASN A 1 -2.187 9.633 1.421 1.00 0.00 H new ATOM 0 HA ASN A 1 -3.838 9.550 0.056 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -2.235 7.402 -1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -3.588 8.276 -2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -1.322 11.400 -1.657 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -2.684 10.843 -0.679 1.00 0.00 H new ATOM 15 N PRO A 2 -5.595 7.872 0.666 1.00 0.00 N ATOM 16 CA PRO A 2 -6.640 6.951 1.121 1.00 0.00 C ATOM 17 C PRO A 2 -6.884 5.773 0.180 1.00 0.00 C ATOM 18 O PRO A 2 -6.941 4.620 0.624 1.00 0.00 O ATOM 19 CB PRO A 2 -7.899 7.828 1.244 1.00 0.00 C ATOM 20 CG PRO A 2 -7.590 9.075 0.492 1.00 0.00 C ATOM 21 CD PRO A 2 -6.107 9.260 0.573 1.00 0.00 C ATOM 0 HA PRO A 2 -6.347 6.478 2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.771 7.324 0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.126 8.045 2.288 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.915 8.994 -0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.112 9.929 0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.717 9.775 -0.305 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.822 9.853 1.442 1.00 0.00 H new ATOM 29 N GLU A 3 -6.980 6.039 -1.108 1.00 0.00 N ATOM 30 CA GLU A 3 -7.273 4.988 -2.061 1.00 0.00 C ATOM 31 C GLU A 3 -6.061 4.089 -2.249 1.00 0.00 C ATOM 32 O GLU A 3 -6.195 2.895 -2.492 1.00 0.00 O ATOM 33 CB GLU A 3 -7.766 5.569 -3.386 1.00 0.00 C ATOM 34 CG GLU A 3 -8.273 4.528 -4.371 1.00 0.00 C ATOM 35 CD GLU A 3 -9.362 3.647 -3.786 1.00 0.00 C ATOM 36 OE1 GLU A 3 -10.370 4.180 -3.272 1.00 0.00 O ATOM 37 OE2 GLU A 3 -9.263 2.408 -3.888 1.00 0.00 O ATOM 0 H GLU A 3 -6.860 6.966 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.081 4.374 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -8.566 6.281 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.953 6.127 -3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.656 5.031 -5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.440 3.903 -4.693 1.00 0.00 H new ATOM 44 N LEU A 4 -4.885 4.650 -2.067 1.00 0.00 N ATOM 45 CA LEU A 4 -3.672 3.871 -2.170 1.00 0.00 C ATOM 46 C LEU A 4 -3.599 2.913 -0.969 1.00 0.00 C ATOM 47 O LEU A 4 -3.206 1.763 -1.106 1.00 0.00 O ATOM 48 CB LEU A 4 -2.440 4.781 -2.255 1.00 0.00 C ATOM 49 CG LEU A 4 -1.090 4.093 -2.514 1.00 0.00 C ATOM 50 CD1 LEU A 4 -1.096 3.365 -3.850 1.00 0.00 C ATOM 51 CD2 LEU A 4 0.039 5.107 -2.470 1.00 0.00 C ATOM 0 H LEU A 4 -4.744 5.636 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.685 3.284 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.609 5.509 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.364 5.339 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.930 3.356 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.129 2.887 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.879 2.607 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.284 4.079 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.988 4.603 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.124 5.867 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.065 5.580 -1.488 1.00 0.00 H new ATOM 63 N GLN A 5 -4.054 3.383 0.192 1.00 0.00 N ATOM 64 CA GLN A 5 -4.138 2.518 1.365 1.00 0.00 C ATOM 65 C GLN A 5 -5.208 1.441 1.160 1.00 0.00 C ATOM 66 O GLN A 5 -5.051 0.303 1.615 1.00 0.00 O ATOM 67 CB GLN A 5 -4.386 3.304 2.657 1.00 0.00 C ATOM 68 CG GLN A 5 -3.235 4.210 3.058 1.00 0.00 C ATOM 69 CD GLN A 5 -3.398 4.787 4.445 1.00 0.00 C ATOM 70 OE1 GLN A 5 -2.969 4.184 5.425 1.00 0.00 O ATOM 71 NE2 GLN A 5 -3.978 5.952 4.546 1.00 0.00 N ATOM 0 H GLN A 5 -4.365 4.342 0.344 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.169 2.032 1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.285 3.908 2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.581 2.601 3.467 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.303 3.647 3.011 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.152 5.024 2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.323 6.424 3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.087 6.390 5.461 1.00 0.00 H new ATOM 80 N ARG A 6 -6.278 1.795 0.446 1.00 0.00 N ATOM 81 CA ARG A 6 -7.324 0.834 0.086 1.00 0.00 C ATOM 82 C ARG A 6 -6.745 -0.259 -0.787 1.00 0.00 C ATOM 83 O ARG A 6 -7.064 -1.434 -0.611 1.00 0.00 O ATOM 84 CB ARG A 6 -8.486 1.501 -0.653 1.00 0.00 C ATOM 85 CG ARG A 6 -9.364 2.406 0.185 1.00 0.00 C ATOM 86 CD ARG A 6 -10.018 1.648 1.321 1.00 0.00 C ATOM 87 NE ARG A 6 -11.015 2.455 2.028 1.00 0.00 N ATOM 88 CZ ARG A 6 -11.341 2.307 3.313 1.00 0.00 C ATOM 89 NH1 ARG A 6 -10.615 1.520 4.101 1.00 0.00 N ATOM 90 NH2 ARG A 6 -12.358 2.989 3.823 1.00 0.00 N ATOM 0 H ARG A 6 -6.444 2.742 0.105 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.708 0.412 1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.080 2.084 -1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.111 0.721 -1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.766 3.223 0.588 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -10.133 2.854 -0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.494 0.749 0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.253 1.322 2.025 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.495 3.183 1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.806 1.027 3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.867 1.409 5.083 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.891 3.627 3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.607 2.875 4.806 1.00 0.00 H new ATOM 104 N LYS A 7 -5.886 0.145 -1.714 1.00 0.00 N ATOM 105 CA LYS A 7 -5.178 -0.763 -2.613 1.00 0.00 C ATOM 106 C LYS A 7 -4.409 -1.786 -1.803 1.00 0.00 C ATOM 107 O LYS A 7 -4.449 -2.984 -2.086 1.00 0.00 O ATOM 108 CB LYS A 7 -4.198 0.037 -3.470 1.00 0.00 C ATOM 109 CG LYS A 7 -3.406 -0.782 -4.463 1.00 0.00 C ATOM 110 CD LYS A 7 -2.305 0.049 -5.077 1.00 0.00 C ATOM 111 CE LYS A 7 -1.550 -0.719 -6.134 1.00 0.00 C ATOM 112 NZ LYS A 7 -0.398 0.041 -6.623 1.00 0.00 N ATOM 0 H LYS A 7 -5.657 1.127 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.899 -1.273 -3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.753 0.802 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.501 0.556 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.978 -1.653 -3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.067 -1.155 -5.245 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.732 0.950 -5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.614 0.371 -4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.213 -1.671 -5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.216 -0.949 -6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.101 -0.513 -7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.724 0.938 -7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.249 0.238 -5.833 1.00 0.00 H new ATOM 126 N CYS A 8 -3.736 -1.300 -0.790 1.00 0.00 N ATOM 127 CA CYS A 8 -2.959 -2.117 0.112 1.00 0.00 C ATOM 128 C CYS A 8 -3.845 -3.066 0.904 1.00 0.00 C ATOM 129 O CYS A 8 -3.500 -4.225 1.103 1.00 0.00 O ATOM 130 CB CYS A 8 -2.159 -1.220 1.033 1.00 0.00 C ATOM 131 SG CYS A 8 -1.018 -0.147 0.130 1.00 0.00 S ATOM 0 H CYS A 8 -3.712 -0.306 -0.564 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.275 -2.734 -0.470 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.841 -0.607 1.621 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.596 -1.835 1.736 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.691 0.770 -0.499 1.00 0.00 H new ATOM 136 N LYS A 9 -5.009 -2.592 1.301 1.00 0.00 N ATOM 137 CA LYS A 9 -5.945 -3.412 2.044 1.00 0.00 C ATOM 138 C LYS A 9 -6.549 -4.490 1.128 1.00 0.00 C ATOM 139 O LYS A 9 -6.959 -5.555 1.585 1.00 0.00 O ATOM 140 CB LYS A 9 -7.025 -2.538 2.698 1.00 0.00 C ATOM 141 CG LYS A 9 -8.005 -3.308 3.565 1.00 0.00 C ATOM 142 CD LYS A 9 -8.956 -2.379 4.288 1.00 0.00 C ATOM 143 CE LYS A 9 -9.986 -3.161 5.080 1.00 0.00 C ATOM 144 NZ LYS A 9 -10.858 -2.279 5.872 1.00 0.00 N ATOM 0 H LYS A 9 -5.330 -1.641 1.121 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.415 -3.923 2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.540 -1.775 3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.579 -2.018 1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.573 -4.002 2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.456 -3.906 4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.394 -1.728 4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.459 -1.735 3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.594 -3.754 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.478 -3.860 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.547 -2.853 6.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.281 -1.731 6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.363 -1.628 5.237 1.00 0.00 H new ATOM 158 N GLU A 10 -6.595 -4.206 -0.161 1.00 0.00 N ATOM 159 CA GLU A 10 -7.031 -5.183 -1.147 1.00 0.00 C ATOM 160 C GLU A 10 -5.888 -6.140 -1.476 1.00 0.00 C ATOM 161 O GLU A 10 -6.102 -7.293 -1.835 1.00 0.00 O ATOM 162 CB GLU A 10 -7.516 -4.500 -2.431 1.00 0.00 C ATOM 163 CG GLU A 10 -8.747 -3.634 -2.259 1.00 0.00 C ATOM 164 CD GLU A 10 -9.167 -2.962 -3.544 1.00 0.00 C ATOM 165 OE1 GLU A 10 -8.849 -1.770 -3.744 1.00 0.00 O ATOM 166 OE2 GLU A 10 -9.827 -3.615 -4.385 1.00 0.00 O ATOM 0 H GLU A 10 -6.334 -3.301 -0.553 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.864 -5.741 -0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.708 -3.885 -2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.728 -5.266 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.569 -4.246 -1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.549 -2.874 -1.503 1.00 0.00 H new ATOM 173 N LEU A 11 -4.677 -5.648 -1.340 1.00 0.00 N ATOM 174 CA LEU A 11 -3.470 -6.404 -1.641 1.00 0.00 C ATOM 175 C LEU A 11 -3.048 -7.259 -0.430 1.00 0.00 C ATOM 176 O LEU A 11 -2.212 -8.167 -0.540 1.00 0.00 O ATOM 177 CB LEU A 11 -2.360 -5.419 -2.052 1.00 0.00 C ATOM 178 CG LEU A 11 -1.046 -5.994 -2.584 1.00 0.00 C ATOM 179 CD1 LEU A 11 -1.295 -6.881 -3.795 1.00 0.00 C ATOM 180 CD2 LEU A 11 -0.109 -4.857 -2.959 1.00 0.00 C ATOM 0 H LEU A 11 -4.494 -4.699 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.658 -7.091 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.768 -4.757 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.126 -4.800 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.589 -6.602 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.346 -7.279 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.950 -7.705 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.767 -6.295 -4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.827 -5.267 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.574 -4.241 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.092 -4.246 -2.079 1.00 0.00 H new ATOM 204 N THR A 13 -1.061 -8.054 2.408 1.00 0.00 N ATOM 205 CA THR A 13 0.234 -7.703 2.909 1.00 0.00 C ATOM 206 C THR A 13 1.281 -7.976 1.822 1.00 0.00 C ATOM 207 O THR A 13 2.484 -7.862 2.037 1.00 0.00 O ATOM 208 CB THR A 13 0.553 -8.481 4.224 1.00 0.00 C ATOM 209 OG1 THR A 13 1.746 -7.974 4.835 1.00 0.00 O ATOM 210 CG2 THR A 13 0.708 -9.978 3.959 1.00 0.00 C ATOM 0 HA THR A 13 0.254 -6.642 3.158 1.00 0.00 H new ATOM 0 HB THR A 13 -0.287 -8.334 4.903 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.392 -7.731 4.139 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.930 -10.492 4.894 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.218 -10.371 3.540 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.523 -10.140 3.254 1.00 0.00 H new ATOM 218 N ARG A 14 0.799 -8.271 0.630 1.00 0.00 N ATOM 219 CA ARG A 14 1.670 -8.611 -0.473 1.00 0.00 C ATOM 220 C ARG A 14 2.363 -7.373 -1.016 1.00 0.00 C ATOM 221 O ARG A 14 1.831 -6.269 -0.899 1.00 0.00 O ATOM 222 CB ARG A 14 0.915 -9.375 -1.574 1.00 0.00 C ATOM 223 CG ARG A 14 0.787 -10.882 -1.324 1.00 0.00 C ATOM 224 CD ARG A 14 0.026 -11.235 -0.049 1.00 0.00 C ATOM 225 NE ARG A 14 -1.389 -10.834 -0.091 1.00 0.00 N ATOM 226 CZ ARG A 14 -2.353 -11.333 0.698 1.00 0.00 C ATOM 227 NH1 ARG A 14 -2.072 -12.267 1.602 1.00 0.00 N ATOM 228 NH2 ARG A 14 -3.591 -10.901 0.568 1.00 0.00 N ATOM 0 H ARG A 14 -0.195 -8.281 0.403 1.00 0.00 H new ATOM 0 HA ARG A 14 2.442 -9.282 -0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.083 -8.950 -1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.426 -9.219 -2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.283 -11.340 -2.175 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.785 -11.318 -1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.088 -12.310 0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.509 -10.752 0.801 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.658 -10.123 -0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.117 -12.610 1.700 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.812 -12.640 2.197 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.813 -10.191 -0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.328 -11.277 1.165 1.00 0.00 H new ATOM 406 N SER A 25 3.038 7.838 1.868 1.00 0.00 N ATOM 407 CA SER A 25 1.982 8.655 1.376 1.00 0.00 C ATOM 408 C SER A 25 0.679 8.219 2.014 1.00 0.00 C ATOM 409 O SER A 25 0.365 7.036 2.036 1.00 0.00 O ATOM 410 CB SER A 25 1.942 8.643 -0.161 1.00 0.00 C ATOM 411 OG SER A 25 2.053 7.325 -0.697 1.00 0.00 O ATOM 0 HA SER A 25 2.154 9.695 1.654 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.010 9.093 -0.501 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.754 9.259 -0.548 1.00 0.00 H new ATOM 0 HG SER A 25 2.507 6.746 -0.050 1.00 0.00 H new ATOM 417 N ASP A 26 -0.072 9.160 2.526 1.00 0.00 N ATOM 418 CA ASP A 26 -1.298 8.863 3.275 1.00 0.00 C ATOM 419 C ASP A 26 -2.511 8.770 2.372 1.00 0.00 C ATOM 420 O ASP A 26 -3.644 8.744 2.860 1.00 0.00 O ATOM 421 CB ASP A 26 -1.547 9.906 4.389 1.00 0.00 C ATOM 422 CG ASP A 26 -1.733 11.324 3.884 1.00 0.00 C ATOM 423 OD1 ASP A 26 -0.722 12.026 3.690 1.00 0.00 O ATOM 424 OD2 ASP A 26 -2.901 11.782 3.707 1.00 0.00 O ATOM 0 H ASP A 26 0.135 10.155 2.444 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.147 7.887 3.737 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.433 9.614 4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.707 9.887 5.083 1.00 0.00 H new