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+ -103:sc= 0.124 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.719 K(o=0.72,f=-0.1) USER MOD Single : A 17 MET CE :methyl -145:sc= 0 (180deg=-0.104) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.430 -6.858 4.354 1.00 0.00 N ATOM 2 CA GLY A 1 -13.035 -6.081 3.256 1.00 0.00 C ATOM 3 C GLY A 1 -11.950 -5.552 2.328 1.00 0.00 C ATOM 4 O GLY A 1 -10.803 -5.442 2.756 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.552 -7.874 4.168 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.416 -6.637 4.418 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.895 -6.612 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.729 -6.708 2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.612 -5.251 3.663 1.00 0.00 H new ATOM 10 N LEU A 2 -12.314 -5.225 1.080 1.00 0.00 N ATOM 11 CA LEU A 2 -11.395 -4.896 -0.016 1.00 0.00 C ATOM 12 C LEU A 2 -10.366 -3.803 0.298 1.00 0.00 C ATOM 13 O LEU A 2 -9.271 -3.834 -0.253 1.00 0.00 O ATOM 14 CB LEU A 2 -12.175 -4.539 -1.295 1.00 0.00 C ATOM 15 CG LEU A 2 -12.981 -3.217 -1.250 1.00 0.00 C ATOM 16 CD1 LEU A 2 -13.175 -2.687 -2.677 1.00 0.00 C ATOM 17 CD2 LEU A 2 -14.363 -3.388 -0.599 1.00 0.00 C ATOM 0 H LEU A 2 -13.293 -5.181 0.797 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.813 -5.805 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.469 -4.483 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.864 -5.354 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.409 -2.515 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.742 -1.757 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -12.202 -2.504 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -13.719 -3.424 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.884 -2.431 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.945 -4.115 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.242 -3.740 0.425 1.00 0.00 H new ATOM 29 N PHE A 3 -10.668 -2.887 1.222 1.00 0.00 N ATOM 30 CA PHE A 3 -9.766 -1.840 1.684 1.00 0.00 C ATOM 31 C PHE A 3 -8.445 -2.444 2.150 1.00 0.00 C ATOM 32 O PHE A 3 -7.363 -2.015 1.763 1.00 0.00 O ATOM 33 CB PHE A 3 -10.453 -1.177 2.877 1.00 0.00 C ATOM 34 CG PHE A 3 -9.875 0.170 3.264 1.00 0.00 C ATOM 35 CD1 PHE A 3 -10.294 1.336 2.594 1.00 0.00 C ATOM 36 CD2 PHE A 3 -8.900 0.260 4.277 1.00 0.00 C ATOM 37 CE1 PHE A 3 -9.740 2.583 2.934 1.00 0.00 C ATOM 38 CE2 PHE A 3 -8.349 1.508 4.617 1.00 0.00 C ATOM 39 CZ PHE A 3 -8.767 2.669 3.944 1.00 0.00 C ATOM 0 H PHE A 3 -11.578 -2.857 1.681 1.00 0.00 H new ATOM 0 HA PHE A 3 -9.555 -1.131 0.883 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -11.511 -1.052 2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -10.389 -1.846 3.735 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -11.042 1.272 1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -8.575 -0.631 4.793 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.063 3.475 2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -7.604 1.575 5.396 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.340 3.627 4.203 1.00 0.00 H new ATOM 49 N GLY A 4 -8.583 -3.504 2.941 1.00 0.00 N ATOM 50 CA GLY A 4 -7.486 -4.296 3.482 1.00 0.00 C ATOM 51 C GLY A 4 -6.678 -5.062 2.428 1.00 0.00 C ATOM 52 O GLY A 4 -5.628 -5.598 2.774 1.00 0.00 O ATOM 0 H GLY A 4 -9.498 -3.847 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.813 -3.636 4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.889 -5.008 4.202 1.00 0.00 H new ATOM 56 N ALA A 5 -7.133 -5.127 1.167 1.00 0.00 N ATOM 57 CA ALA A 5 -6.353 -5.672 0.057 1.00 0.00 C ATOM 58 C ALA A 5 -5.553 -4.586 -0.676 1.00 0.00 C ATOM 59 O ALA A 5 -4.636 -4.920 -1.424 1.00 0.00 O ATOM 60 CB ALA A 5 -7.284 -6.392 -0.925 1.00 0.00 C ATOM 0 H ALA A 5 -8.059 -4.799 0.892 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.635 -6.379 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.699 -6.797 -1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.797 -7.205 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.019 -5.687 -1.313 1.00 0.00 H new ATOM 66 N ILE A 6 -5.889 -3.306 -0.473 1.00 0.00 N ATOM 67 CA ILE A 6 -5.189 -2.152 -1.016 1.00 0.00 C ATOM 68 C ILE A 6 -4.588 -1.324 0.115 1.00 0.00 C ATOM 69 O ILE A 6 -3.565 -1.733 0.654 1.00 0.00 O ATOM 70 CB ILE A 6 -6.027 -1.365 -2.044 1.00 0.00 C ATOM 71 CG1 ILE A 6 -7.505 -1.345 -1.664 1.00 0.00 C ATOM 72 CG2 ILE A 6 -5.822 -2.000 -3.414 1.00 0.00 C ATOM 73 CD1 ILE A 6 -8.343 -0.284 -2.385 1.00 0.00 C ATOM 0 H ILE A 6 -6.691 -3.043 0.099 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.347 -2.499 -1.615 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.697 -0.326 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.932 -2.326 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.587 -1.183 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.407 -1.458 -4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.766 -1.957 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.146 -3.040 -3.385 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.378 -0.348 -2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.949 0.707 -2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.299 -0.455 -3.461 1.00 0.00 H new ATOM 85 N ALA A 7 -5.203 -0.180 0.436 1.00 0.00 N ATOM 86 CA ALA A 7 -4.804 0.892 1.340 1.00 0.00 C ATOM 87 C ALA A 7 -3.287 1.099 1.463 1.00 0.00 C ATOM 88 O ALA A 7 -2.754 1.975 0.783 1.00 0.00 O ATOM 89 CB ALA A 7 -5.519 0.711 2.684 1.00 0.00 C ATOM 0 H ALA A 7 -6.105 0.037 0.012 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.129 1.834 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.224 1.510 3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.598 0.745 2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.245 -0.252 3.115 1.00 0.00 H new ATOM 95 N GLY A 8 -2.582 0.271 2.246 1.00 0.00 N ATOM 96 CA GLY A 8 -1.124 0.200 2.287 1.00 0.00 C ATOM 97 C GLY A 8 -0.481 0.141 0.895 1.00 0.00 C ATOM 98 O GLY A 8 0.573 0.740 0.692 1.00 0.00 O ATOM 0 H GLY A 8 -3.029 -0.386 2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.740 1.069 2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.826 -0.681 2.855 1.00 0.00 H new ATOM 102 N PHE A 9 -1.136 -0.494 -0.087 1.00 0.00 N ATOM 103 CA PHE A 9 -0.708 -0.525 -1.488 1.00 0.00 C ATOM 104 C PHE A 9 -0.551 0.869 -2.109 1.00 0.00 C ATOM 105 O PHE A 9 0.123 1.021 -3.123 1.00 0.00 O ATOM 106 CB PHE A 9 -1.749 -1.307 -2.298 1.00 0.00 C ATOM 107 CG PHE A 9 -1.307 -1.676 -3.702 1.00 0.00 C ATOM 108 CD1 PHE A 9 -0.218 -2.548 -3.891 1.00 0.00 C ATOM 109 CD2 PHE A 9 -1.966 -1.131 -4.821 1.00 0.00 C ATOM 110 CE1 PHE A 9 0.214 -2.868 -5.190 1.00 0.00 C ATOM 111 CE2 PHE A 9 -1.539 -1.458 -6.120 1.00 0.00 C ATOM 112 CZ PHE A 9 -0.448 -2.325 -6.305 1.00 0.00 C ATOM 0 H PHE A 9 -1.999 -1.012 0.078 1.00 0.00 H new ATOM 0 HA PHE A 9 0.273 -0.999 -1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.000 -2.220 -1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.661 -0.714 -2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.287 -2.972 -3.036 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.801 -0.461 -4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.055 -3.531 -5.331 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.050 -1.043 -6.976 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.119 -2.574 -7.303 1.00 0.00 H new ATOM 122 N ILE A 10 -1.185 1.881 -1.515 1.00 0.00 N ATOM 123 CA ILE A 10 -1.191 3.260 -1.958 1.00 0.00 C ATOM 124 C ILE A 10 -0.443 4.101 -0.921 1.00 0.00 C ATOM 125 O ILE A 10 0.467 4.842 -1.287 1.00 0.00 O ATOM 126 CB ILE A 10 -2.656 3.697 -2.192 1.00 0.00 C ATOM 127 CG1 ILE A 10 -3.342 2.855 -3.297 1.00 0.00 C ATOM 128 CG2 ILE A 10 -2.719 5.169 -2.604 1.00 0.00 C ATOM 129 CD1 ILE A 10 -4.325 1.842 -2.712 1.00 0.00 C ATOM 0 H ILE A 10 -1.735 1.744 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.673 3.397 -2.907 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.181 3.543 -1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.869 3.517 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.583 2.331 -3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.758 5.458 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.288 5.786 -1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.156 5.313 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.784 1.272 -3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.794 1.163 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.099 2.367 -2.153 1.00 0.00 H new ATOM 141 N GLU A 11 -0.756 3.938 0.370 1.00 0.00 N ATOM 142 CA GLU A 11 -0.108 4.652 1.473 1.00 0.00 C ATOM 143 C GLU A 11 1.394 4.337 1.579 1.00 0.00 C ATOM 144 O GLU A 11 2.138 5.087 2.209 1.00 0.00 O ATOM 145 CB GLU A 11 -0.816 4.305 2.791 1.00 0.00 C ATOM 146 CG GLU A 11 -2.279 4.774 2.831 1.00 0.00 C ATOM 147 CD GLU A 11 -2.999 4.227 4.065 1.00 0.00 C ATOM 148 OE1 GLU A 11 -3.374 3.034 4.025 1.00 0.00 O ATOM 149 OE2 GLU A 11 -3.171 5.006 5.029 1.00 0.00 O ATOM 0 H GLU A 11 -1.482 3.293 0.682 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.193 5.720 1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.782 3.226 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.272 4.759 3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.315 5.863 2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.795 4.444 1.929 1.00 0.00 H new ATOM 156 N ASN A 12 1.864 3.250 0.958 1.00 0.00 N ATOM 157 CA ASN A 12 3.273 2.884 0.793 1.00 0.00 C ATOM 158 C ASN A 12 3.550 2.536 -0.682 1.00 0.00 C ATOM 159 O ASN A 12 4.504 1.820 -0.980 1.00 0.00 O ATOM 160 CB ASN A 12 3.646 1.743 1.775 1.00 0.00 C ATOM 161 CG ASN A 12 4.129 2.190 3.157 1.00 0.00 C ATOM 162 OD1 ASN A 12 4.824 1.442 3.834 1.00 0.00 O ATOM 163 ND2 ASN A 12 3.797 3.385 3.627 1.00 0.00 N ATOM 0 H ASN A 12 1.237 2.566 0.535 1.00 0.00 H new ATOM 0 HA ASN A 12 3.915 3.728 1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.775 1.101 1.905 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.426 1.134 1.317 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.120 3.678 4.549 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.219 4.011 3.066 1.00 0.00 H new ATOM 170 N GLY A 13 2.742 3.061 -1.618 1.00 0.00 N ATOM 171 CA GLY A 13 2.689 2.711 -3.041 1.00 0.00 C ATOM 172 C GLY A 13 3.893 3.127 -3.893 1.00 0.00 C ATOM 173 O GLY A 13 3.740 3.383 -5.085 1.00 0.00 O ATOM 0 H GLY A 13 2.066 3.788 -1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.571 1.631 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.795 3.163 -3.470 1.00 0.00 H new ATOM 177 N ALA A 14 5.086 3.178 -3.300 1.00 0.00 N ATOM 178 CA ALA A 14 6.373 3.243 -3.970 1.00 0.00 C ATOM 179 C ALA A 14 7.295 2.287 -3.209 1.00 0.00 C ATOM 180 O ALA A 14 8.223 2.698 -2.510 1.00 0.00 O ATOM 181 CB ALA A 14 6.872 4.690 -4.020 1.00 0.00 C ATOM 0 H ALA A 14 5.179 3.175 -2.284 1.00 0.00 H new ATOM 0 HA ALA A 14 6.326 2.932 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.838 4.725 -4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.155 5.303 -4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.979 5.073 -3.005 1.00 0.00 H new ATOM 187 N GLU A 15 6.952 0.998 -3.276 1.00 0.00 N ATOM 188 CA GLU A 15 7.542 -0.044 -2.449 1.00 0.00 C ATOM 189 C GLU A 15 9.048 -0.175 -2.710 1.00 0.00 C ATOM 190 O GLU A 15 9.534 0.043 -3.820 1.00 0.00 O ATOM 191 CB GLU A 15 6.822 -1.380 -2.698 1.00 0.00 C ATOM 192 CG GLU A 15 5.354 -1.342 -2.244 1.00 0.00 C ATOM 193 CD GLU A 15 4.672 -2.699 -2.440 1.00 0.00 C ATOM 194 OE1 GLU A 15 4.797 -3.541 -1.523 1.00 0.00 O ATOM 195 OE2 GLU A 15 4.042 -2.879 -3.506 1.00 0.00 O ATOM 0 H GLU A 15 6.243 0.649 -3.920 1.00 0.00 H new ATOM 0 HA GLU A 15 7.416 0.233 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.866 -1.622 -3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.344 -2.176 -2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.304 -1.057 -1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.817 -0.579 -2.807 1.00 0.00 H new ATOM 202 N GLY A 16 9.789 -0.536 -1.660 1.00 0.00 N ATOM 203 CA GLY A 16 11.234 -0.715 -1.669 1.00 0.00 C ATOM 204 C GLY A 16 11.919 0.514 -1.089 1.00 0.00 C ATOM 205 O GLY A 16 12.831 0.381 -0.278 1.00 0.00 O ATOM 0 H GLY A 16 9.377 -0.718 -0.745 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.502 -1.598 -1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.580 -0.886 -2.688 1.00 0.00 H new ATOM 209 N MET A 17 11.422 1.709 -1.427 1.00 0.00 N ATOM 210 CA MET A 17 11.909 2.991 -0.945 1.00 0.00 C ATOM 211 C MET A 17 11.831 3.089 0.580 1.00 0.00 C ATOM 212 O MET A 17 12.665 3.727 1.214 1.00 0.00 O ATOM 213 CB MET A 17 11.078 4.100 -1.603 1.00 0.00 C ATOM 214 CG MET A 17 12.011 5.219 -2.047 1.00 0.00 C ATOM 215 SD MET A 17 11.257 6.855 -2.270 1.00 0.00 S ATOM 216 CE MET A 17 10.040 6.479 -3.554 1.00 0.00 C ATOM 0 H MET A 17 10.637 1.805 -2.071 1.00 0.00 H new ATOM 0 HA MET A 17 12.960 3.099 -1.213 1.00 0.00 H new ATOM 0 HB2 MET A 17 10.531 3.704 -2.458 1.00 0.00 H new ATOM 0 HB3 MET A 17 10.338 4.483 -0.901 1.00 0.00 H new ATOM 0 HG2 MET A 17 12.811 5.309 -1.312 1.00 0.00 H new ATOM 0 HG3 MET A 17 12.474 4.925 -2.989 1.00 0.00 H new ATOM 0 HE1 MET A 17 9.942 7.333 -4.224 1.00 0.00 H new ATOM 0 HE2 MET A 17 10.368 5.608 -4.122 1.00 0.00 H new ATOM 0 HE3 MET A 17 9.076 6.268 -3.091 1.00 0.00 H new ATOM 226 N ILE A 18 10.800 2.447 1.133 1.00 0.00 N ATOM 227 CA ILE A 18 10.532 2.268 2.556 1.00 0.00 C ATOM 228 C ILE A 18 11.753 1.663 3.281 1.00 0.00 C ATOM 229 O ILE A 18 11.954 1.966 4.455 1.00 0.00 O ATOM 230 CB ILE A 18 9.259 1.389 2.701 1.00 0.00 C ATOM 231 CG1 ILE A 18 7.941 2.109 2.314 1.00 0.00 C ATOM 232 CG2 ILE A 18 9.063 0.866 4.137 1.00 0.00 C ATOM 233 CD1 ILE A 18 7.794 2.559 0.855 1.00 0.00 C ATOM 0 H ILE A 18 10.082 2.009 0.556 1.00 0.00 H new ATOM 0 HA ILE A 18 10.353 3.232 3.032 1.00 0.00 H new ATOM 0 HB ILE A 18 9.446 0.572 2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.110 1.443 2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.835 2.987 2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.160 0.258 4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.923 0.261 4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.968 1.709 4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 18 6.829 3.047 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.592 3.259 0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.856 1.691 0.199 1.00 0.00 H new ATOM 245 N ASP A 19 12.561 0.843 2.590 1.00 0.00 N ATOM 246 CA ASP A 19 13.726 0.116 3.099 1.00 0.00 C ATOM 247 C ASP A 19 13.412 -0.682 4.375 1.00 0.00 C ATOM 248 O ASP A 19 12.926 -1.810 4.277 1.00 0.00 O ATOM 249 CB ASP A 19 14.933 1.062 3.218 1.00 0.00 C ATOM 250 CG ASP A 19 16.163 0.329 3.755 1.00 0.00 C ATOM 251 OD1 ASP A 19 16.697 -0.521 3.010 1.00 0.00 O ATOM 252 OD2 ASP A 19 16.534 0.621 4.914 1.00 0.00 O ATOM 0 H ASP A 19 12.405 0.661 1.599 1.00 0.00 H new ATOM 0 HA ASP A 19 14.004 -0.650 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.160 1.490 2.242 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.684 1.892 3.880 1.00 0.00 H new ATOM 257 N GLY A 20 13.647 -0.110 5.561 1.00 0.00 N ATOM 258 CA GLY A 20 13.448 -0.737 6.860 1.00 0.00 C ATOM 259 C GLY A 20 11.969 -0.828 7.231 1.00 0.00 C ATOM 260 O GLY A 20 11.536 -0.203 8.198 1.00 0.00 O ATOM 0 H GLY A 20 13.996 0.845 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.881 -1.737 6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.979 -0.167 7.623 1.00 0.00 H new TER 264 GLY A 20