USER MOD reduce.3.24.130724 H: found=0, std=0, add=128, rem=0, adj=1 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= 0.0786 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.709 K(o=0.71,f=-5.2!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.284 -7.957 4.709 1.00 0.00 N ATOM 2 CA GLY A 1 -11.175 -6.919 4.156 1.00 0.00 C ATOM 3 C GLY A 1 -10.448 -6.133 3.076 1.00 0.00 C ATOM 4 O GLY A 1 -9.223 -6.054 3.124 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.618 -8.896 4.411 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.316 -7.807 4.359 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.289 -7.901 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.071 -7.380 3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.501 -6.247 4.950 1.00 0.00 H new ATOM 10 N LEU A 2 -11.194 -5.560 2.119 1.00 0.00 N ATOM 11 CA LEU A 2 -10.663 -4.964 0.885 1.00 0.00 C ATOM 12 C LEU A 2 -9.578 -3.904 1.107 1.00 0.00 C ATOM 13 O LEU A 2 -8.690 -3.766 0.271 1.00 0.00 O ATOM 14 CB LEU A 2 -11.821 -4.418 0.024 1.00 0.00 C ATOM 15 CG LEU A 2 -12.556 -3.183 0.602 1.00 0.00 C ATOM 16 CD1 LEU A 2 -11.991 -1.856 0.072 1.00 0.00 C ATOM 17 CD2 LEU A 2 -14.049 -3.242 0.258 1.00 0.00 C ATOM 0 H LEU A 2 -12.210 -5.497 2.185 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.156 -5.767 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.429 -4.158 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.549 -5.216 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.405 -3.215 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -12.543 -1.025 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.938 -1.775 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.090 -1.826 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.552 -2.368 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.173 -3.254 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.485 -4.146 0.683 1.00 0.00 H new ATOM 29 N PHE A 3 -9.603 -3.208 2.248 1.00 0.00 N ATOM 30 CA PHE A 3 -8.638 -2.179 2.619 1.00 0.00 C ATOM 31 C PHE A 3 -7.220 -2.724 2.529 1.00 0.00 C ATOM 32 O PHE A 3 -6.341 -2.135 1.909 1.00 0.00 O ATOM 33 CB PHE A 3 -8.930 -1.801 4.072 1.00 0.00 C ATOM 34 CG PHE A 3 -8.277 -0.509 4.524 1.00 0.00 C ATOM 35 CD1 PHE A 3 -8.819 0.731 4.135 1.00 0.00 C ATOM 36 CD2 PHE A 3 -7.107 -0.545 5.308 1.00 0.00 C ATOM 37 CE1 PHE A 3 -8.194 1.928 4.527 1.00 0.00 C ATOM 38 CE2 PHE A 3 -6.487 0.654 5.704 1.00 0.00 C ATOM 39 CZ PHE A 3 -7.028 1.890 5.312 1.00 0.00 C ATOM 0 H PHE A 3 -10.320 -3.353 2.959 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.721 -1.322 1.951 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -10.009 -1.714 4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.594 -2.610 4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.716 0.763 3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.686 -1.494 5.605 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -8.610 2.878 4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -5.594 0.624 6.310 1.00 0.00 H new ATOM 0 HZ PHE A 3 -6.549 2.810 5.613 1.00 0.00 H new ATOM 49 N GLY A 4 -7.059 -3.904 3.120 1.00 0.00 N ATOM 50 CA GLY A 4 -5.810 -4.646 3.208 1.00 0.00 C ATOM 51 C GLY A 4 -5.268 -5.129 1.860 1.00 0.00 C ATOM 52 O GLY A 4 -4.133 -5.595 1.821 1.00 0.00 O ATOM 0 H GLY A 4 -7.834 -4.390 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.059 -4.015 3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.959 -5.509 3.857 1.00 0.00 H new ATOM 56 N ALA A 5 -6.043 -5.031 0.769 1.00 0.00 N ATOM 57 CA ALA A 5 -5.536 -5.278 -0.581 1.00 0.00 C ATOM 58 C ALA A 5 -4.989 -4.002 -1.235 1.00 0.00 C ATOM 59 O ALA A 5 -4.199 -4.097 -2.171 1.00 0.00 O ATOM 60 CB ALA A 5 -6.650 -5.872 -1.449 1.00 0.00 C ATOM 0 H ALA A 5 -7.031 -4.780 0.801 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.709 -5.984 -0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.270 -6.055 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.989 -6.811 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.485 -5.173 -1.499 1.00 0.00 H new ATOM 66 N ILE A 6 -5.442 -2.824 -0.787 1.00 0.00 N ATOM 67 CA ILE A 6 -5.057 -1.513 -1.290 1.00 0.00 C ATOM 68 C ILE A 6 -4.347 -0.688 -0.220 1.00 0.00 C ATOM 69 O ILE A 6 -3.171 -0.929 0.029 1.00 0.00 O ATOM 70 CB ILE A 6 -6.217 -0.802 -2.013 1.00 0.00 C ATOM 71 CG1 ILE A 6 -7.556 -1.100 -1.342 1.00 0.00 C ATOM 72 CG2 ILE A 6 -6.225 -1.254 -3.470 1.00 0.00 C ATOM 73 CD1 ILE A 6 -8.683 -0.136 -1.729 1.00 0.00 C ATOM 0 H ILE A 6 -6.120 -2.764 -0.027 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.310 -1.651 -2.071 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.071 0.277 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.859 -2.116 -1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.422 -1.069 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.040 -0.761 -3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.277 -0.990 -3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.364 -2.334 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.598 -0.419 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.405 0.880 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.848 -0.183 -2.805 1.00 0.00 H new ATOM 85 N ALA A 7 -5.057 0.285 0.362 1.00 0.00 N ATOM 86 CA ALA A 7 -4.646 1.332 1.286 1.00 0.00 C ATOM 87 C ALA A 7 -3.211 1.833 1.090 1.00 0.00 C ATOM 88 O ALA A 7 -3.030 2.837 0.403 1.00 0.00 O ATOM 89 CB ALA A 7 -4.953 0.877 2.715 1.00 0.00 C ATOM 0 H ALA A 7 -6.056 0.360 0.168 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.232 2.224 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.649 1.653 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.023 0.694 2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.406 -0.041 2.930 1.00 0.00 H new ATOM 95 N GLY A 8 -2.200 1.125 1.610 1.00 0.00 N ATOM 96 CA GLY A 8 -0.787 1.376 1.342 1.00 0.00 C ATOM 97 C GLY A 8 -0.472 1.514 -0.152 1.00 0.00 C ATOM 98 O GLY A 8 0.394 2.311 -0.513 1.00 0.00 O ATOM 0 H GLY A 8 -2.352 0.342 2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.482 2.287 1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.194 0.561 1.758 1.00 0.00 H new ATOM 102 N PHE A 9 -1.229 0.851 -1.037 1.00 0.00 N ATOM 103 CA PHE A 9 -1.088 1.007 -2.482 1.00 0.00 C ATOM 104 C PHE A 9 -1.323 2.448 -2.964 1.00 0.00 C ATOM 105 O PHE A 9 -0.847 2.832 -4.030 1.00 0.00 O ATOM 106 CB PHE A 9 -2.088 0.075 -3.167 1.00 0.00 C ATOM 107 CG PHE A 9 -1.820 -0.089 -4.646 1.00 0.00 C ATOM 108 CD1 PHE A 9 -0.674 -0.785 -5.072 1.00 0.00 C ATOM 109 CD2 PHE A 9 -2.676 0.505 -5.592 1.00 0.00 C ATOM 110 CE1 PHE A 9 -0.388 -0.894 -6.444 1.00 0.00 C ATOM 111 CE2 PHE A 9 -2.390 0.394 -6.964 1.00 0.00 C ATOM 112 CZ PHE A 9 -1.248 -0.308 -7.390 1.00 0.00 C ATOM 0 H PHE A 9 -1.957 0.191 -0.765 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.060 0.756 -2.742 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.055 -0.903 -2.686 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.096 0.465 -3.026 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.014 -1.235 -4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.552 1.046 -5.264 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.492 -1.428 -6.772 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.047 0.848 -7.691 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.031 -0.397 -8.444 1.00 0.00 H new ATOM 122 N ILE A 10 -2.064 3.241 -2.187 1.00 0.00 N ATOM 123 CA ILE A 10 -2.462 4.609 -2.488 1.00 0.00 C ATOM 124 C ILE A 10 -1.741 5.561 -1.533 1.00 0.00 C ATOM 125 O ILE A 10 -1.219 6.586 -1.964 1.00 0.00 O ATOM 126 CB ILE A 10 -4.003 4.710 -2.388 1.00 0.00 C ATOM 127 CG1 ILE A 10 -4.691 3.837 -3.465 1.00 0.00 C ATOM 128 CG2 ILE A 10 -4.482 6.154 -2.565 1.00 0.00 C ATOM 129 CD1 ILE A 10 -5.312 2.591 -2.843 1.00 0.00 C ATOM 0 H ILE A 10 -2.419 2.925 -1.284 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.178 4.894 -3.501 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.274 4.354 -1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.462 4.418 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.963 3.546 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.569 6.189 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.044 6.781 -1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.175 6.522 -3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.789 1.995 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.535 2.000 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.057 2.886 -2.104 1.00 0.00 H new ATOM 141 N GLU A 11 -1.695 5.217 -0.243 1.00 0.00 N ATOM 142 CA GLU A 11 -1.026 5.999 0.793 1.00 0.00 C ATOM 143 C GLU A 11 0.503 5.967 0.639 1.00 0.00 C ATOM 144 O GLU A 11 1.192 6.789 1.242 1.00 0.00 O ATOM 145 CB GLU A 11 -1.455 5.475 2.174 1.00 0.00 C ATOM 146 CG GLU A 11 -2.955 5.690 2.438 1.00 0.00 C ATOM 147 CD GLU A 11 -3.396 5.055 3.758 1.00 0.00 C ATOM 148 OE1 GLU A 11 -3.455 3.806 3.801 1.00 0.00 O ATOM 149 OE2 GLU A 11 -3.688 5.821 4.702 1.00 0.00 O ATOM 0 H GLU A 11 -2.132 4.368 0.115 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.326 7.042 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.224 4.412 2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.876 5.979 2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.171 6.758 2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.533 5.263 1.618 1.00 0.00 H new ATOM 156 N ASN A 12 1.041 5.046 -0.173 1.00 0.00 N ATOM 157 CA ASN A 12 2.462 4.936 -0.472 1.00 0.00 C ATOM 158 C ASN A 12 2.703 4.574 -1.941 1.00 0.00 C ATOM 159 O ASN A 12 3.324 5.351 -2.662 1.00 0.00 O ATOM 160 CB ASN A 12 3.105 3.908 0.464 1.00 0.00 C ATOM 161 CG ASN A 12 4.606 3.899 0.248 1.00 0.00 C ATOM 162 OD1 ASN A 12 5.102 3.196 -0.622 1.00 0.00 O ATOM 163 ND2 ASN A 12 5.347 4.699 1.003 1.00 0.00 N ATOM 0 H ASN A 12 0.478 4.341 -0.649 1.00 0.00 H new ATOM 0 HA ASN A 12 2.928 5.907 -0.306 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.877 4.152 1.502 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.693 2.917 0.272 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.357 4.739 0.865 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.907 5.274 1.721 1.00 0.00 H new ATOM 170 N GLY A 13 2.243 3.396 -2.380 1.00 0.00 N ATOM 171 CA GLY A 13 2.339 2.937 -3.765 1.00 0.00 C ATOM 172 C GLY A 13 3.749 2.569 -4.251 1.00 0.00 C ATOM 173 O GLY A 13 3.902 2.227 -5.422 1.00 0.00 O ATOM 0 H GLY A 13 1.784 2.723 -1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.695 2.066 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.943 3.718 -4.415 1.00 0.00 H new ATOM 177 N ALA A 14 4.772 2.607 -3.388 1.00 0.00 N ATOM 178 CA ALA A 14 6.158 2.239 -3.681 1.00 0.00 C ATOM 179 C ALA A 14 6.675 1.311 -2.572 1.00 0.00 C ATOM 180 O ALA A 14 7.802 1.438 -2.097 1.00 0.00 O ATOM 181 CB ALA A 14 7.003 3.511 -3.829 1.00 0.00 C ATOM 0 H ALA A 14 4.647 2.910 -2.422 1.00 0.00 H new ATOM 0 HA ALA A 14 6.226 1.696 -4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.036 3.239 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.608 4.118 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.967 4.082 -2.901 1.00 0.00 H new ATOM 187 N GLU A 15 5.805 0.420 -2.100 1.00 0.00 N ATOM 188 CA GLU A 15 5.980 -0.312 -0.857 1.00 0.00 C ATOM 189 C GLU A 15 7.111 -1.344 -0.965 1.00 0.00 C ATOM 190 O GLU A 15 7.424 -1.860 -2.037 1.00 0.00 O ATOM 191 CB GLU A 15 4.640 -0.975 -0.497 1.00 0.00 C ATOM 192 CG GLU A 15 3.519 0.055 -0.250 1.00 0.00 C ATOM 193 CD GLU A 15 2.133 -0.567 -0.403 1.00 0.00 C ATOM 194 OE1 GLU A 15 1.695 -0.690 -1.570 1.00 0.00 O ATOM 195 OE2 GLU A 15 1.521 -0.884 0.640 1.00 0.00 O ATOM 0 H GLU A 15 4.940 0.185 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 15 6.272 0.376 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.342 -1.645 -1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.769 -1.587 0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.622 0.471 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.625 0.883 -0.951 1.00 0.00 H new ATOM 202 N GLY A 16 7.754 -1.630 0.171 1.00 0.00 N ATOM 203 CA GLY A 16 8.865 -2.566 0.318 1.00 0.00 C ATOM 204 C GLY A 16 10.193 -1.860 0.066 1.00 0.00 C ATOM 205 O GLY A 16 11.158 -2.058 0.801 1.00 0.00 O ATOM 0 H GLY A 16 7.498 -1.191 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.858 -2.994 1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.747 -3.393 -0.382 1.00 0.00 H new ATOM 209 N MET A 17 10.198 -0.961 -0.921 1.00 0.00 N ATOM 210 CA MET A 17 11.298 -0.114 -1.336 1.00 0.00 C ATOM 211 C MET A 17 11.845 0.716 -0.173 1.00 0.00 C ATOM 212 O MET A 17 13.036 1.007 -0.122 1.00 0.00 O ATOM 213 CB MET A 17 10.790 0.780 -2.474 1.00 0.00 C ATOM 214 CG MET A 17 11.822 0.819 -3.585 1.00 0.00 C ATOM 215 SD MET A 17 11.568 2.130 -4.810 1.00 0.00 S ATOM 216 CE MET A 17 12.952 1.776 -5.922 1.00 0.00 C ATOM 0 H MET A 17 9.366 -0.801 -1.488 1.00 0.00 H new ATOM 0 HA MET A 17 12.130 -0.728 -1.682 1.00 0.00 H new ATOM 0 HB2 MET A 17 9.843 0.398 -2.856 1.00 0.00 H new ATOM 0 HB3 MET A 17 10.601 1.787 -2.103 1.00 0.00 H new ATOM 0 HG2 MET A 17 12.810 0.942 -3.141 1.00 0.00 H new ATOM 0 HG3 MET A 17 11.821 -0.143 -4.097 1.00 0.00 H new ATOM 0 HE1 MET A 17 12.951 2.493 -6.743 1.00 0.00 H new ATOM 0 HE2 MET A 17 13.890 1.855 -5.372 1.00 0.00 H new ATOM 0 HE3 MET A 17 12.849 0.767 -6.321 1.00 0.00 H new ATOM 226 N ILE A 18 10.939 1.097 0.733 1.00 0.00 N ATOM 227 CA ILE A 18 11.186 1.808 1.987 1.00 0.00 C ATOM 228 C ILE A 18 12.318 1.153 2.802 1.00 0.00 C ATOM 229 O ILE A 18 13.034 1.874 3.497 1.00 0.00 O ATOM 230 CB ILE A 18 9.866 1.883 2.808 1.00 0.00 C ATOM 231 CG1 ILE A 18 8.771 2.784 2.187 1.00 0.00 C ATOM 232 CG2 ILE A 18 10.085 2.417 4.236 1.00 0.00 C ATOM 233 CD1 ILE A 18 8.256 2.351 0.816 1.00 0.00 C ATOM 0 H ILE A 18 9.947 0.903 0.598 1.00 0.00 H new ATOM 0 HA ILE A 18 11.517 2.820 1.754 1.00 0.00 H new ATOM 0 HB ILE A 18 9.532 0.845 2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.927 2.825 2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.164 3.797 2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.131 2.448 4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.773 1.760 4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.506 3.421 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.493 3.052 0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.081 2.339 0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.825 1.352 0.888 1.00 0.00 H new ATOM 245 N ASP A 19 12.488 -0.178 2.722 1.00 0.00 N ATOM 246 CA ASP A 19 13.363 -0.947 3.612 1.00 0.00 C ATOM 247 C ASP A 19 12.964 -0.678 5.082 1.00 0.00 C ATOM 248 O ASP A 19 11.774 -0.575 5.385 1.00 0.00 O ATOM 249 CB ASP A 19 14.845 -0.706 3.240 1.00 0.00 C ATOM 250 CG ASP A 19 15.801 -1.677 3.936 1.00 0.00 C ATOM 251 OD1 ASP A 19 15.969 -2.806 3.435 1.00 0.00 O ATOM 252 OD2 ASP A 19 16.354 -1.289 4.995 1.00 0.00 O ATOM 0 H ASP A 19 12.013 -0.754 2.027 1.00 0.00 H new ATOM 0 HA ASP A 19 13.233 -2.021 3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.963 -0.800 2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.118 0.316 3.503 1.00 0.00 H new ATOM 257 N GLY A 20 13.923 -0.624 6.008 1.00 0.00 N ATOM 258 CA GLY A 20 13.724 -0.345 7.421 1.00 0.00 C ATOM 259 C GLY A 20 15.031 -0.136 8.198 1.00 0.00 C ATOM 260 O GLY A 20 14.958 0.237 9.367 1.00 0.00 O ATOM 0 H GLY A 20 14.904 -0.782 5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.105 0.546 7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.172 -1.170 7.871 1.00 0.00 H new TER 264 GLY A 20