USER MOD reduce.3.24.130724 H: found=0, std=0, add=128, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 128 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 1 GLY N :NH3+ -110:sc= 0.0971 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.986 K(o=0.99,f=-2.7!) USER MOD Single : A 17 MET CE :methyl 165:sc= -0.0311 (180deg=-0.307) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.511 -7.170 4.852 1.00 0.00 N ATOM 2 CA GLY A 1 -11.205 -6.607 3.678 1.00 0.00 C ATOM 3 C GLY A 1 -10.190 -6.135 2.647 1.00 0.00 C ATOM 4 O GLY A 1 -9.051 -5.858 3.019 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.655 -8.200 4.880 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.494 -6.964 4.786 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.894 -6.743 5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.860 -7.359 3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.838 -5.774 3.985 1.00 0.00 H new ATOM 10 N LEU A 2 -10.600 -6.036 1.373 1.00 0.00 N ATOM 11 CA LEU A 2 -9.720 -5.797 0.219 1.00 0.00 C ATOM 12 C LEU A 2 -8.844 -4.543 0.332 1.00 0.00 C ATOM 13 O LEU A 2 -7.776 -4.493 -0.269 1.00 0.00 O ATOM 14 CB LEU A 2 -10.555 -5.777 -1.077 1.00 0.00 C ATOM 15 CG LEU A 2 -11.448 -4.522 -1.248 1.00 0.00 C ATOM 16 CD1 LEU A 2 -10.783 -3.452 -2.127 1.00 0.00 C ATOM 17 CD2 LEU A 2 -12.793 -4.903 -1.878 1.00 0.00 C ATOM 0 H LEU A 2 -11.582 -6.123 1.110 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.014 -6.627 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -9.880 -5.846 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.188 -6.664 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.599 -4.109 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.446 -2.592 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.844 -3.139 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -10.587 -3.865 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.408 -4.010 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -12.622 -5.352 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -13.306 -5.618 -1.235 1.00 0.00 H new ATOM 29 N PHE A 3 -9.245 -3.568 1.153 1.00 0.00 N ATOM 30 CA PHE A 3 -8.494 -2.354 1.446 1.00 0.00 C ATOM 31 C PHE A 3 -7.088 -2.691 1.920 1.00 0.00 C ATOM 32 O PHE A 3 -6.101 -2.115 1.477 1.00 0.00 O ATOM 33 CB PHE A 3 -9.228 -1.648 2.584 1.00 0.00 C ATOM 34 CG PHE A 3 -8.851 -0.188 2.754 1.00 0.00 C ATOM 35 CD1 PHE A 3 -9.122 0.737 1.726 1.00 0.00 C ATOM 36 CD2 PHE A 3 -8.185 0.242 3.919 1.00 0.00 C ATOM 37 CE1 PHE A 3 -8.708 2.076 1.852 1.00 0.00 C ATOM 38 CE2 PHE A 3 -7.780 1.583 4.047 1.00 0.00 C ATOM 39 CZ PHE A 3 -8.031 2.497 3.010 1.00 0.00 C ATOM 0 H PHE A 3 -10.136 -3.609 1.648 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.419 -1.735 0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -10.301 -1.717 2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.024 -2.176 3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.649 0.417 0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -7.985 -0.460 4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -8.910 2.781 1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -7.275 1.910 4.944 1.00 0.00 H new ATOM 0 HZ PHE A 3 -7.704 3.522 3.102 1.00 0.00 H new ATOM 49 N GLY A 4 -7.037 -3.685 2.801 1.00 0.00 N ATOM 50 CA GLY A 4 -5.817 -4.232 3.381 1.00 0.00 C ATOM 51 C GLY A 4 -4.843 -4.824 2.354 1.00 0.00 C ATOM 52 O GLY A 4 -3.687 -5.046 2.704 1.00 0.00 O ATOM 0 H GLY A 4 -7.878 -4.149 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.307 -3.445 3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.085 -5.007 4.099 1.00 0.00 H new ATOM 56 N ALA A 5 -5.275 -5.074 1.109 1.00 0.00 N ATOM 57 CA ALA A 5 -4.388 -5.502 0.025 1.00 0.00 C ATOM 58 C ALA A 5 -3.812 -4.319 -0.770 1.00 0.00 C ATOM 59 O ALA A 5 -2.838 -4.498 -1.498 1.00 0.00 O ATOM 60 CB ALA A 5 -5.149 -6.442 -0.916 1.00 0.00 C ATOM 0 H ALA A 5 -6.251 -4.984 0.828 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.544 -6.022 0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.490 -6.761 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.491 -7.315 -0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.009 -5.919 -1.335 1.00 0.00 H new ATOM 66 N ILE A 6 -4.406 -3.127 -0.645 1.00 0.00 N ATOM 67 CA ILE A 6 -4.010 -1.898 -1.320 1.00 0.00 C ATOM 68 C ILE A 6 -3.555 -0.855 -0.316 1.00 0.00 C ATOM 69 O ILE A 6 -2.371 -0.832 0.002 1.00 0.00 O ATOM 70 CB ILE A 6 -5.051 -1.408 -2.348 1.00 0.00 C ATOM 71 CG1 ILE A 6 -6.476 -1.695 -1.887 1.00 0.00 C ATOM 72 CG2 ILE A 6 -4.777 -2.096 -3.680 1.00 0.00 C ATOM 73 CD1 ILE A 6 -7.567 -0.936 -2.650 1.00 0.00 C ATOM 0 H ILE A 6 -5.215 -2.993 -0.039 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.139 -2.115 -1.938 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.961 -0.327 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.664 -2.764 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.556 -1.449 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.505 -1.761 -4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.772 -1.844 -4.020 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.858 -3.176 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.545 -1.206 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.412 0.137 -2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.522 -1.199 -3.707 1.00 0.00 H new ATOM 85 N ALA A 7 -4.478 0.002 0.127 1.00 0.00 N ATOM 86 CA ALA A 7 -4.306 1.233 0.878 1.00 0.00 C ATOM 87 C ALA A 7 -2.925 1.873 0.688 1.00 0.00 C ATOM 88 O ALA A 7 -2.766 2.666 -0.237 1.00 0.00 O ATOM 89 CB ALA A 7 -4.696 0.986 2.342 1.00 0.00 C ATOM 0 H ALA A 7 -5.466 -0.175 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.981 1.989 0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.569 1.906 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.737 0.668 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.058 0.208 2.762 1.00 0.00 H new ATOM 95 N GLY A 8 -1.918 1.481 1.479 1.00 0.00 N ATOM 96 CA GLY A 8 -0.525 1.894 1.351 1.00 0.00 C ATOM 97 C GLY A 8 0.050 1.843 -0.072 1.00 0.00 C ATOM 98 O GLY A 8 0.922 2.660 -0.377 1.00 0.00 O ATOM 0 H GLY A 8 -2.064 0.839 2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.430 2.913 1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.085 1.259 1.994 1.00 0.00 H new ATOM 102 N PHE A 9 -0.407 0.943 -0.961 1.00 0.00 N ATOM 103 CA PHE A 9 0.034 0.925 -2.362 1.00 0.00 C ATOM 104 C PHE A 9 -0.433 2.149 -3.166 1.00 0.00 C ATOM 105 O PHE A 9 0.123 2.420 -4.227 1.00 0.00 O ATOM 106 CB PHE A 9 -0.433 -0.367 -3.044 1.00 0.00 C ATOM 107 CG PHE A 9 0.445 -1.561 -2.724 1.00 0.00 C ATOM 108 CD1 PHE A 9 1.677 -1.712 -3.389 1.00 0.00 C ATOM 109 CD2 PHE A 9 0.054 -2.504 -1.756 1.00 0.00 C ATOM 110 CE1 PHE A 9 2.509 -2.806 -3.093 1.00 0.00 C ATOM 111 CE2 PHE A 9 0.887 -3.594 -1.457 1.00 0.00 C ATOM 112 CZ PHE A 9 2.114 -3.749 -2.127 1.00 0.00 C ATOM 0 H PHE A 9 -1.085 0.217 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 9 1.123 0.966 -2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.456 -0.583 -2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.450 -0.215 -4.123 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.983 -0.986 -4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.889 -2.389 -1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.451 -2.922 -3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.585 -4.315 -0.711 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.752 -4.591 -1.900 1.00 0.00 H new ATOM 122 N ILE A 10 -1.442 2.874 -2.679 1.00 0.00 N ATOM 123 CA ILE A 10 -2.076 4.025 -3.321 1.00 0.00 C ATOM 124 C ILE A 10 -1.725 5.263 -2.500 1.00 0.00 C ATOM 125 O ILE A 10 -1.344 6.293 -3.047 1.00 0.00 O ATOM 126 CB ILE A 10 -3.614 3.803 -3.400 1.00 0.00 C ATOM 127 CG1 ILE A 10 -4.042 2.779 -4.473 1.00 0.00 C ATOM 128 CG2 ILE A 10 -4.382 5.105 -3.704 1.00 0.00 C ATOM 129 CD1 ILE A 10 -3.506 1.368 -4.240 1.00 0.00 C ATOM 0 H ILE A 10 -1.862 2.661 -1.774 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.718 4.156 -4.342 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.865 3.422 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.131 2.741 -4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.703 3.128 -5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.451 4.895 -3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.188 5.834 -2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.051 5.507 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.852 0.711 -5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.416 1.389 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.866 0.996 -3.281 1.00 0.00 H new ATOM 141 N GLU A 11 -1.855 5.139 -1.179 1.00 0.00 N ATOM 142 CA GLU A 11 -1.620 6.198 -0.201 1.00 0.00 C ATOM 143 C GLU A 11 -0.145 6.625 -0.158 1.00 0.00 C ATOM 144 O GLU A 11 0.152 7.723 0.308 1.00 0.00 O ATOM 145 CB GLU A 11 -2.095 5.707 1.175 1.00 0.00 C ATOM 146 CG GLU A 11 -3.628 5.536 1.231 1.00 0.00 C ATOM 147 CD GLU A 11 -4.137 4.708 2.420 1.00 0.00 C ATOM 148 OE1 GLU A 11 -3.309 4.105 3.139 1.00 0.00 O ATOM 149 OE2 GLU A 11 -5.378 4.644 2.567 1.00 0.00 O ATOM 0 H GLU A 11 -2.139 4.261 -0.745 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.185 7.083 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.616 4.756 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.781 6.416 1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.089 6.523 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.961 5.064 0.307 1.00 0.00 H new ATOM 156 N ASN A 12 0.768 5.792 -0.678 1.00 0.00 N ATOM 157 CA ASN A 12 2.156 6.161 -0.940 1.00 0.00 C ATOM 158 C ASN A 12 2.664 5.403 -2.168 1.00 0.00 C ATOM 159 O ASN A 12 3.055 6.004 -3.166 1.00 0.00 O ATOM 160 CB ASN A 12 3.032 5.876 0.299 1.00 0.00 C ATOM 161 CG ASN A 12 4.407 6.541 0.197 1.00 0.00 C ATOM 162 OD1 ASN A 12 4.988 6.666 -0.872 1.00 0.00 O ATOM 163 ND2 ASN A 12 4.971 6.977 1.311 1.00 0.00 N ATOM 0 H ASN A 12 0.553 4.827 -0.931 1.00 0.00 H new ATOM 0 HA ASN A 12 2.215 7.230 -1.145 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.522 6.234 1.193 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.158 4.799 0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.890 7.417 1.279 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.487 6.873 2.203 1.00 0.00 H new ATOM 170 N GLY A 13 2.641 4.069 -2.085 1.00 0.00 N ATOM 171 CA GLY A 13 3.321 3.168 -3.008 1.00 0.00 C ATOM 172 C GLY A 13 3.963 1.976 -2.292 1.00 0.00 C ATOM 173 O GLY A 13 4.971 1.463 -2.767 1.00 0.00 O ATOM 0 H GLY A 13 2.133 3.576 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.608 2.803 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.089 3.719 -3.551 1.00 0.00 H new ATOM 177 N ALA A 14 3.397 1.553 -1.151 1.00 0.00 N ATOM 178 CA ALA A 14 3.961 0.611 -0.190 1.00 0.00 C ATOM 179 C ALA A 14 5.362 1.034 0.265 1.00 0.00 C ATOM 180 O ALA A 14 6.362 0.356 0.027 1.00 0.00 O ATOM 181 CB ALA A 14 3.864 -0.829 -0.701 1.00 0.00 C ATOM 0 H ALA A 14 2.476 1.884 -0.863 1.00 0.00 H new ATOM 0 HA ALA A 14 3.356 0.636 0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.293 -1.507 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.818 -1.087 -0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.412 -0.920 -1.639 1.00 0.00 H new ATOM 187 N GLU A 15 5.415 2.150 0.994 1.00 0.00 N ATOM 188 CA GLU A 15 6.576 2.501 1.800 1.00 0.00 C ATOM 189 C GLU A 15 6.938 1.340 2.739 1.00 0.00 C ATOM 190 O GLU A 15 6.076 0.588 3.198 1.00 0.00 O ATOM 191 CB GLU A 15 6.315 3.810 2.561 1.00 0.00 C ATOM 192 CG GLU A 15 5.057 3.783 3.453 1.00 0.00 C ATOM 193 CD GLU A 15 4.855 5.105 4.197 1.00 0.00 C ATOM 194 OE1 GLU A 15 5.411 5.242 5.307 1.00 0.00 O ATOM 195 OE2 GLU A 15 4.150 5.975 3.631 1.00 0.00 O ATOM 0 H GLU A 15 4.656 2.830 1.040 1.00 0.00 H new ATOM 0 HA GLU A 15 7.435 2.671 1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.182 4.035 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.219 4.623 1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.181 3.575 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.141 2.970 4.174 1.00 0.00 H new ATOM 202 N GLY A 16 8.236 1.160 2.976 1.00 0.00 N ATOM 203 CA GLY A 16 8.821 0.070 3.738 1.00 0.00 C ATOM 204 C GLY A 16 9.191 -1.088 2.824 1.00 0.00 C ATOM 205 O GLY A 16 10.220 -1.727 3.024 1.00 0.00 O ATOM 0 H GLY A 16 8.940 1.807 2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.708 0.423 4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.115 -0.270 4.496 1.00 0.00 H new ATOM 209 N MET A 17 8.390 -1.329 1.784 1.00 0.00 N ATOM 210 CA MET A 17 8.646 -2.313 0.762 1.00 0.00 C ATOM 211 C MET A 17 9.803 -1.873 -0.132 1.00 0.00 C ATOM 212 O MET A 17 10.579 -2.705 -0.595 1.00 0.00 O ATOM 213 CB MET A 17 7.357 -2.463 -0.056 1.00 0.00 C ATOM 214 CG MET A 17 7.120 -3.936 -0.292 1.00 0.00 C ATOM 215 SD MET A 17 5.890 -4.368 -1.555 1.00 0.00 S ATOM 216 CE MET A 17 6.692 -3.720 -3.049 1.00 0.00 C ATOM 0 H MET A 17 7.518 -0.820 1.637 1.00 0.00 H new ATOM 0 HA MET A 17 8.930 -3.266 1.209 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.514 -2.023 0.477 1.00 0.00 H new ATOM 0 HB3 MET A 17 7.445 -1.935 -1.005 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.069 -4.394 -0.570 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.813 -4.387 0.651 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.204 -4.133 -3.932 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.610 -2.633 -3.064 1.00 0.00 H new ATOM 0 HE3 MET A 17 7.744 -4.004 -3.050 1.00 0.00 H new ATOM 226 N ILE A 18 9.903 -0.560 -0.354 1.00 0.00 N ATOM 227 CA ILE A 18 11.050 0.071 -1.001 1.00 0.00 C ATOM 228 C ILE A 18 12.211 0.042 0.003 1.00 0.00 C ATOM 229 O ILE A 18 13.302 -0.433 -0.301 1.00 0.00 O ATOM 230 CB ILE A 18 10.709 1.520 -1.456 1.00 0.00 C ATOM 231 CG1 ILE A 18 9.730 1.605 -2.651 1.00 0.00 C ATOM 232 CG2 ILE A 18 11.980 2.279 -1.892 1.00 0.00 C ATOM 233 CD1 ILE A 18 8.284 1.193 -2.368 1.00 0.00 C ATOM 0 H ILE A 18 9.176 0.103 -0.084 1.00 0.00 H new ATOM 0 HA ILE A 18 11.329 -0.469 -1.906 1.00 0.00 H new ATOM 0 HB ILE A 18 10.237 1.962 -0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.728 2.630 -3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.114 0.977 -3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.712 3.288 -2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.677 2.331 -1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.450 1.754 -2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.692 1.294 -3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.260 0.156 -2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.868 1.835 -1.592 1.00 0.00 H new ATOM 245 N ASP A 19 11.964 0.604 1.188 1.00 0.00 N ATOM 246 CA ASP A 19 12.971 1.082 2.130 1.00 0.00 C ATOM 247 C ASP A 19 13.647 -0.049 2.916 1.00 0.00 C ATOM 248 O ASP A 19 14.730 0.146 3.463 1.00 0.00 O ATOM 249 CB ASP A 19 12.301 2.069 3.108 1.00 0.00 C ATOM 250 CG ASP A 19 11.383 3.081 2.410 1.00 0.00 C ATOM 251 OD1 ASP A 19 10.295 2.633 1.964 1.00 0.00 O ATOM 252 OD2 ASP A 19 11.782 4.258 2.301 1.00 0.00 O ATOM 0 H ASP A 19 11.013 0.743 1.530 1.00 0.00 H new ATOM 0 HA ASP A 19 13.757 1.570 1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.722 1.507 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.074 2.607 3.657 1.00 0.00 H new ATOM 257 N GLY A 20 13.026 -1.232 2.981 1.00 0.00 N ATOM 258 CA GLY A 20 13.411 -2.353 3.833 1.00 0.00 C ATOM 259 C GLY A 20 14.649 -3.127 3.370 1.00 0.00 C ATOM 260 O GLY A 20 14.726 -4.329 3.619 1.00 0.00 O ATOM 0 H GLY A 20 12.204 -1.439 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.592 -1.978 4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.572 -3.046 3.897 1.00 0.00 H new TER 264 GLY A 20