USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, 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 Single : A 1 ASN : amide:sc= 0.77 K(o=0.77,f=-6.1!) USER MOD Single : A 1 ASN N :NH3+ -155:sc= -0.0176 (180deg=-0.0572) USER MOD Single : A 5 GLN : amide:sc= -0.209 K(o=-0.21,f=-2) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 67:sc= 0.902 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -20:sc= 0.272 USER MOD Single : A 25 SER OG : rot 33:sc= 0.0197 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -2.412 8.713 0.794 1.00 0.00 N ATOM 2 CA ASN A 1 -3.386 8.572 -0.303 1.00 0.00 C ATOM 3 C ASN A 1 -4.341 7.414 -0.005 1.00 0.00 C ATOM 4 O ASN A 1 -3.910 6.252 0.064 1.00 0.00 O ATOM 5 CB ASN A 1 -2.690 8.299 -1.641 1.00 0.00 C ATOM 6 CG ASN A 1 -3.687 8.235 -2.795 1.00 0.00 C ATOM 7 OD1 ASN A 1 -4.259 7.186 -3.080 1.00 0.00 O ATOM 8 ND2 ASN A 1 -3.897 9.335 -3.459 1.00 0.00 N ATOM 0 H1 ASN A 1 -2.062 9.692 0.823 1.00 0.00 H new ATOM 0 H3 ASN A 1 -1.615 8.064 0.636 1.00 0.00 H new ATOM 0 HA ASN A 1 -3.935 9.511 -0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -1.958 9.082 -1.836 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -2.143 7.358 -1.581 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -4.552 9.342 -4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -3.406 10.190 -3.198 1.00 0.00 H new ATOM 15 N PRO A 2 -5.645 7.701 0.139 1.00 0.00 N ATOM 16 CA PRO A 2 -6.631 6.705 0.561 1.00 0.00 C ATOM 17 C PRO A 2 -6.800 5.541 -0.419 1.00 0.00 C ATOM 18 O PRO A 2 -7.020 4.406 -0.004 1.00 0.00 O ATOM 19 CB PRO A 2 -7.931 7.499 0.684 1.00 0.00 C ATOM 20 CG PRO A 2 -7.731 8.714 -0.152 1.00 0.00 C ATOM 21 CD PRO A 2 -6.264 9.023 -0.099 1.00 0.00 C ATOM 0 HA PRO A 2 -6.317 6.224 1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.782 6.916 0.333 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.133 7.765 1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.055 8.538 -1.178 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.319 9.549 0.229 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.913 9.469 -1.029 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.030 9.726 0.700 1.00 0.00 H new ATOM 29 N GLU A 3 -6.660 5.809 -1.700 1.00 0.00 N ATOM 30 CA GLU A 3 -6.844 4.780 -2.699 1.00 0.00 C ATOM 31 C GLU A 3 -5.608 3.905 -2.832 1.00 0.00 C ATOM 32 O GLU A 3 -5.699 2.725 -3.191 1.00 0.00 O ATOM 33 CB GLU A 3 -7.266 5.378 -4.026 1.00 0.00 C ATOM 34 CG GLU A 3 -8.651 6.007 -3.979 1.00 0.00 C ATOM 35 CD GLU A 3 -9.724 5.004 -3.606 1.00 0.00 C ATOM 36 OE1 GLU A 3 -10.219 5.031 -2.458 1.00 0.00 O ATOM 37 OE2 GLU A 3 -10.092 4.164 -4.468 1.00 0.00 O ATOM 0 H GLU A 3 -6.420 6.728 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.654 4.131 -2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.540 6.133 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.251 4.601 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.653 6.824 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.884 6.441 -4.951 1.00 0.00 H new ATOM 44 N LEU A 4 -4.467 4.474 -2.545 1.00 0.00 N ATOM 45 CA LEU A 4 -3.229 3.727 -2.505 1.00 0.00 C ATOM 46 C LEU A 4 -3.281 2.785 -1.309 1.00 0.00 C ATOM 47 O LEU A 4 -2.994 1.594 -1.429 1.00 0.00 O ATOM 48 CB LEU A 4 -2.044 4.686 -2.391 1.00 0.00 C ATOM 49 CG LEU A 4 -0.650 4.060 -2.343 1.00 0.00 C ATOM 50 CD1 LEU A 4 -0.366 3.253 -3.602 1.00 0.00 C ATOM 51 CD2 LEU A 4 0.394 5.142 -2.151 1.00 0.00 C ATOM 0 H LEU A 4 -4.365 5.466 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.103 3.149 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.079 5.371 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.178 5.285 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.608 3.374 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.632 2.820 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.102 2.455 -3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.424 3.905 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.385 4.690 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.345 5.847 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.204 5.669 -1.216 1.00 0.00 H new ATOM 63 N GLN A 5 -3.712 3.328 -0.173 1.00 0.00 N ATOM 64 CA GLN A 5 -3.901 2.547 1.051 1.00 0.00 C ATOM 65 C GLN A 5 -4.956 1.468 0.830 1.00 0.00 C ATOM 66 O GLN A 5 -4.858 0.376 1.362 1.00 0.00 O ATOM 67 CB GLN A 5 -4.322 3.455 2.195 1.00 0.00 C ATOM 68 CG GLN A 5 -3.265 4.457 2.605 1.00 0.00 C ATOM 69 CD GLN A 5 -3.780 5.457 3.612 1.00 0.00 C ATOM 70 OE1 GLN A 5 -4.957 5.806 3.618 1.00 0.00 O ATOM 71 NE2 GLN A 5 -2.920 5.920 4.464 1.00 0.00 N ATOM 0 H GLN A 5 -3.940 4.317 -0.073 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.955 2.070 1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.225 3.993 1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.580 2.840 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.411 3.928 3.027 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.908 4.986 1.722 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.950 5.608 4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.214 6.597 5.169 1.00 0.00 H new ATOM 80 N ARG A 6 -5.949 1.792 0.015 1.00 0.00 N ATOM 81 CA ARG A 6 -7.013 0.865 -0.360 1.00 0.00 C ATOM 82 C ARG A 6 -6.425 -0.357 -1.049 1.00 0.00 C ATOM 83 O ARG A 6 -6.792 -1.493 -0.742 1.00 0.00 O ATOM 84 CB ARG A 6 -7.986 1.556 -1.305 1.00 0.00 C ATOM 85 CG ARG A 6 -9.108 0.676 -1.797 1.00 0.00 C ATOM 86 CD ARG A 6 -9.939 1.388 -2.835 1.00 0.00 C ATOM 87 NE ARG A 6 -10.975 0.528 -3.398 1.00 0.00 N ATOM 88 CZ ARG A 6 -11.558 0.727 -4.581 1.00 0.00 C ATOM 89 NH1 ARG A 6 -11.317 1.842 -5.270 1.00 0.00 N ATOM 90 NH2 ARG A 6 -12.409 -0.172 -5.058 1.00 0.00 N ATOM 0 H ARG A 6 -6.042 2.714 -0.410 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.538 0.550 0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.414 2.420 -0.798 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.432 1.933 -2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.697 -0.240 -2.221 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -9.740 0.384 -0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.403 2.266 -2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.290 1.744 -3.635 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.273 -0.279 -2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.684 2.548 -4.893 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.765 1.990 -6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.616 -1.014 -4.520 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.856 -0.022 -5.962 1.00 0.00 H new ATOM 104 N LYS A 7 -5.490 -0.110 -1.964 1.00 0.00 N ATOM 105 CA LYS A 7 -4.821 -1.172 -2.689 1.00 0.00 C ATOM 106 C LYS A 7 -4.103 -2.064 -1.695 1.00 0.00 C ATOM 107 O LYS A 7 -4.209 -3.276 -1.751 1.00 0.00 O ATOM 108 CB LYS A 7 -3.818 -0.596 -3.699 1.00 0.00 C ATOM 109 CG LYS A 7 -3.126 -1.650 -4.552 1.00 0.00 C ATOM 110 CD LYS A 7 -2.088 -1.037 -5.475 1.00 0.00 C ATOM 111 CE LYS A 7 -1.485 -2.090 -6.390 1.00 0.00 C ATOM 112 NZ LYS A 7 -0.493 -1.521 -7.325 1.00 0.00 N ATOM 0 H LYS A 7 -5.181 0.828 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.561 -1.750 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.338 0.103 -4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.062 -0.025 -3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.648 -2.385 -3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.869 -2.183 -5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.547 -0.250 -6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.301 -0.570 -4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.010 -2.863 -5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.280 -2.573 -6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.110 -2.277 -7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.950 -0.802 -7.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.281 -1.083 -6.786 1.00 0.00 H new ATOM 126 N CYS A 8 -3.426 -1.436 -0.758 1.00 0.00 N ATOM 127 CA CYS A 8 -2.712 -2.129 0.294 1.00 0.00 C ATOM 128 C CYS A 8 -3.657 -2.971 1.128 1.00 0.00 C ATOM 129 O CYS A 8 -3.394 -4.129 1.371 1.00 0.00 O ATOM 130 CB CYS A 8 -2.017 -1.126 1.174 1.00 0.00 C ATOM 131 SG CYS A 8 -0.904 -0.043 0.264 1.00 0.00 S ATOM 0 H CYS A 8 -3.355 -0.420 -0.704 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.977 -2.791 -0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.765 -0.521 1.687 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.453 -1.655 1.943 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.594 0.718 -0.532 1.00 0.00 H new ATOM 136 N LYS A 9 -4.779 -2.396 1.514 1.00 0.00 N ATOM 137 CA LYS A 9 -5.763 -3.092 2.320 1.00 0.00 C ATOM 138 C LYS A 9 -6.388 -4.268 1.581 1.00 0.00 C ATOM 139 O LYS A 9 -6.798 -5.253 2.203 1.00 0.00 O ATOM 140 CB LYS A 9 -6.849 -2.142 2.802 1.00 0.00 C ATOM 141 CG LYS A 9 -6.365 -1.091 3.789 1.00 0.00 C ATOM 142 CD LYS A 9 -7.491 -0.167 4.234 1.00 0.00 C ATOM 143 CE LYS A 9 -8.613 -0.936 4.924 1.00 0.00 C ATOM 144 NZ LYS A 9 -9.707 -0.053 5.359 1.00 0.00 N ATOM 0 H LYS A 9 -5.034 -1.437 1.279 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.231 -3.489 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.286 -1.640 1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.644 -2.724 3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.934 -1.583 4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.571 -0.501 3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.095 0.587 4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.891 0.362 3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.006 -1.690 4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.211 -1.465 5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.446 -0.619 5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.339 0.651 6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.110 0.433 4.533 1.00 0.00 H new ATOM 158 N GLU A 10 -6.477 -4.162 0.276 1.00 0.00 N ATOM 159 CA GLU A 10 -7.029 -5.218 -0.521 1.00 0.00 C ATOM 160 C GLU A 10 -5.964 -6.285 -0.828 1.00 0.00 C ATOM 161 O GLU A 10 -6.276 -7.475 -0.940 1.00 0.00 O ATOM 162 CB GLU A 10 -7.670 -4.643 -1.779 1.00 0.00 C ATOM 163 CG GLU A 10 -8.377 -5.661 -2.635 1.00 0.00 C ATOM 164 CD GLU A 10 -9.266 -5.018 -3.652 1.00 0.00 C ATOM 165 OE1 GLU A 10 -8.825 -4.787 -4.796 1.00 0.00 O ATOM 166 OE2 GLU A 10 -10.428 -4.712 -3.330 1.00 0.00 O ATOM 0 H GLU A 10 -6.170 -3.346 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.816 -5.721 0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.383 -3.871 -1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.899 -4.156 -2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.640 -6.284 -3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.970 -6.320 -2.000 1.00 0.00 H new ATOM 173 N LEU A 11 -4.717 -5.864 -0.944 1.00 0.00 N ATOM 174 CA LEU A 11 -3.618 -6.794 -1.140 1.00 0.00 C ATOM 175 C LEU A 11 -3.336 -7.535 0.153 1.00 0.00 C ATOM 176 O LEU A 11 -3.100 -8.744 0.151 1.00 0.00 O ATOM 177 CB LEU A 11 -2.334 -6.078 -1.599 1.00 0.00 C ATOM 178 CG LEU A 11 -2.363 -5.385 -2.965 1.00 0.00 C ATOM 179 CD1 LEU A 11 -1.036 -4.696 -3.228 1.00 0.00 C ATOM 180 CD2 LEU A 11 -2.668 -6.379 -4.076 1.00 0.00 C ATOM 0 H LEU A 11 -4.439 -4.883 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.916 -7.493 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.078 -5.331 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.526 -6.809 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.157 -4.638 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.067 -4.206 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.853 -3.952 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.234 -5.435 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.682 -5.860 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.900 -7.152 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.640 -6.838 -3.897 1.00 0.00 H new ATOM 204 N THR A 13 -0.829 -7.709 3.166 1.00 0.00 N ATOM 205 CA THR A 13 0.538 -7.328 3.430 1.00 0.00 C ATOM 206 C THR A 13 1.389 -7.626 2.189 1.00 0.00 C ATOM 207 O THR A 13 2.603 -7.395 2.142 1.00 0.00 O ATOM 208 CB THR A 13 1.076 -8.048 4.680 1.00 0.00 C ATOM 209 OG1 THR A 13 0.689 -9.439 4.662 1.00 0.00 O ATOM 210 CG2 THR A 13 0.548 -7.399 5.940 1.00 0.00 C ATOM 0 HA THR A 13 0.587 -6.259 3.638 1.00 0.00 H new ATOM 0 HB THR A 13 2.163 -7.973 4.670 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.078 -9.557 4.064 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.940 -7.923 6.811 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.863 -6.356 5.972 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.541 -7.449 5.946 1.00 0.00 H new ATOM 218 N ARG A 14 0.693 -8.093 1.176 1.00 0.00 N ATOM 219 CA ARG A 14 1.246 -8.468 -0.114 1.00 0.00 C ATOM 220 C ARG A 14 1.554 -7.216 -0.937 1.00 0.00 C ATOM 221 O ARG A 14 1.036 -6.138 -0.641 1.00 0.00 O ATOM 222 CB ARG A 14 0.215 -9.313 -0.848 1.00 0.00 C ATOM 223 CG ARG A 14 -0.070 -10.668 -0.234 1.00 0.00 C ATOM 224 CD ARG A 14 -1.364 -11.237 -0.794 1.00 0.00 C ATOM 225 NE ARG A 14 -1.374 -11.223 -2.261 1.00 0.00 N ATOM 226 CZ ARG A 14 -2.304 -10.628 -3.030 1.00 0.00 C ATOM 227 NH1 ARG A 14 -3.296 -9.928 -2.478 1.00 0.00 N ATOM 228 NH2 ARG A 14 -2.208 -10.703 -4.343 1.00 0.00 N ATOM 0 H ARG A 14 -0.317 -8.229 1.227 1.00 0.00 H new ATOM 0 HA ARG A 14 2.169 -9.030 0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.719 -8.753 -0.900 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.555 -9.462 -1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.755 -11.350 -0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.144 -10.576 0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.495 -12.259 -0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.208 -10.658 -0.419 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.612 -11.705 -2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.355 -9.840 -1.464 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.996 -9.481 -3.070 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.432 -11.210 -4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.909 -10.254 -4.932 1.00 0.00 H new ATOM 406 N SER A 25 2.776 7.431 2.498 1.00 0.00 N ATOM 407 CA SER A 25 1.859 8.365 1.899 1.00 0.00 C ATOM 408 C SER A 25 0.478 8.105 2.480 1.00 0.00 C ATOM 409 O SER A 25 0.189 6.982 2.918 1.00 0.00 O ATOM 410 CB SER A 25 1.841 8.199 0.378 1.00 0.00 C ATOM 411 OG SER A 25 3.112 8.501 -0.197 1.00 0.00 O ATOM 0 HA SER A 25 2.170 9.387 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.560 7.176 0.126 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.082 8.853 -0.051 1.00 0.00 H new ATOM 0 HG SER A 25 3.822 8.250 0.430 1.00 0.00 H new ATOM 417 N ASP A 26 -0.366 9.104 2.485 1.00 0.00 N ATOM 418 CA ASP A 26 -1.683 8.973 3.092 1.00 0.00 C ATOM 419 C ASP A 26 -2.788 8.922 2.054 1.00 0.00 C ATOM 420 O ASP A 26 -3.959 9.052 2.394 1.00 0.00 O ATOM 421 CB ASP A 26 -1.945 10.091 4.124 1.00 0.00 C ATOM 422 CG ASP A 26 -1.944 11.489 3.549 1.00 0.00 C ATOM 423 OD1 ASP A 26 -0.850 12.035 3.274 1.00 0.00 O ATOM 424 OD2 ASP A 26 -3.028 12.090 3.395 1.00 0.00 O ATOM 0 H ASP A 26 -0.174 10.020 2.079 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.691 8.020 3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.908 9.909 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.186 10.032 4.904 1.00 0.00 H new