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+ -114:sc= 0.147 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 1.19 K(o=1.2,f=-0.79) USER MOD Single : A 17 MET CE :methyl 166:sc= -0.012 (180deg=-0.238) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.919 -7.447 3.589 1.00 0.00 N ATOM 2 CA GLY A 1 -12.641 -6.375 2.877 1.00 0.00 C ATOM 3 C GLY A 1 -11.716 -5.670 1.892 1.00 0.00 C ATOM 4 O GLY A 1 -10.503 -5.856 1.969 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.316 -8.370 3.321 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.911 -7.416 3.333 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.020 -7.311 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.495 -6.795 2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.034 -5.655 3.595 1.00 0.00 H new ATOM 10 N LEU A 2 -12.290 -4.856 0.995 1.00 0.00 N ATOM 11 CA LEU A 2 -11.601 -4.211 -0.132 1.00 0.00 C ATOM 12 C LEU A 2 -10.349 -3.416 0.259 1.00 0.00 C ATOM 13 O LEU A 2 -9.433 -3.284 -0.549 1.00 0.00 O ATOM 14 CB LEU A 2 -12.600 -3.327 -0.910 1.00 0.00 C ATOM 15 CG LEU A 2 -13.087 -2.066 -0.153 1.00 0.00 C ATOM 16 CD1 LEU A 2 -12.264 -0.817 -0.502 1.00 0.00 C ATOM 17 CD2 LEU A 2 -14.561 -1.780 -0.469 1.00 0.00 C ATOM 0 H LEU A 2 -13.282 -4.620 1.036 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.232 -5.014 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -12.134 -3.014 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -13.468 -3.932 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.960 -2.280 0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -12.646 0.038 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.220 -0.984 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.341 -0.617 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.883 -0.891 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.678 -1.615 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -15.170 -2.631 -0.164 1.00 0.00 H new ATOM 29 N PHE A 3 -10.278 -2.932 1.503 1.00 0.00 N ATOM 30 CA PHE A 3 -9.176 -2.140 2.028 1.00 0.00 C ATOM 31 C PHE A 3 -7.852 -2.859 1.827 1.00 0.00 C ATOM 32 O PHE A 3 -6.898 -2.303 1.294 1.00 0.00 O ATOM 33 CB PHE A 3 -9.431 -1.970 3.525 1.00 0.00 C ATOM 34 CG PHE A 3 -8.612 -0.870 4.172 1.00 0.00 C ATOM 35 CD1 PHE A 3 -8.886 0.478 3.874 1.00 0.00 C ATOM 36 CD2 PHE A 3 -7.554 -1.192 5.045 1.00 0.00 C ATOM 37 CE1 PHE A 3 -8.110 1.500 4.449 1.00 0.00 C ATOM 38 CE2 PHE A 3 -6.783 -0.169 5.624 1.00 0.00 C ATOM 39 CZ PHE A 3 -7.061 1.177 5.327 1.00 0.00 C ATOM 0 H PHE A 3 -11.015 -3.090 2.191 1.00 0.00 H new ATOM 0 HA PHE A 3 -9.120 -1.181 1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -10.489 -1.760 3.681 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.216 -2.912 4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.694 0.728 3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -7.335 -2.225 5.270 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -8.320 2.533 4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -5.976 -0.417 6.298 1.00 0.00 H new ATOM 0 HZ PHE A 3 -6.469 1.962 5.773 1.00 0.00 H new ATOM 49 N GLY A 4 -7.845 -4.128 2.226 1.00 0.00 N ATOM 50 CA GLY A 4 -6.677 -5.001 2.157 1.00 0.00 C ATOM 51 C GLY A 4 -6.154 -5.201 0.729 1.00 0.00 C ATOM 52 O GLY A 4 -4.955 -5.437 0.551 1.00 0.00 O ATOM 0 H GLY A 4 -8.669 -4.588 2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.881 -4.582 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.932 -5.972 2.583 1.00 0.00 H new ATOM 56 N ALA A 5 -7.016 -5.068 -0.290 1.00 0.00 N ATOM 57 CA ALA A 5 -6.585 -5.122 -1.684 1.00 0.00 C ATOM 58 C ALA A 5 -5.779 -3.869 -2.038 1.00 0.00 C ATOM 59 O ALA A 5 -4.733 -3.982 -2.676 1.00 0.00 O ATOM 60 CB ALA A 5 -7.789 -5.279 -2.621 1.00 0.00 C ATOM 0 H ALA A 5 -8.018 -4.922 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.944 -5.994 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.444 -5.317 -3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.319 -6.201 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.462 -4.431 -2.494 1.00 0.00 H new ATOM 66 N ILE A 6 -6.200 -2.697 -1.542 1.00 0.00 N ATOM 67 CA ILE A 6 -5.569 -1.411 -1.811 1.00 0.00 C ATOM 68 C ILE A 6 -4.752 -0.989 -0.592 1.00 0.00 C ATOM 69 O ILE A 6 -3.671 -1.549 -0.424 1.00 0.00 O ATOM 70 CB ILE A 6 -6.540 -0.334 -2.343 1.00 0.00 C ATOM 71 CG1 ILE A 6 -7.926 -0.484 -1.719 1.00 0.00 C ATOM 72 CG2 ILE A 6 -6.595 -0.374 -3.869 1.00 0.00 C ATOM 73 CD1 ILE A 6 -8.819 0.752 -1.870 1.00 0.00 C ATOM 0 H ILE A 6 -7.011 -2.623 -0.927 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.880 -1.531 -2.647 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.164 0.646 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.427 -1.338 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.812 -0.709 -0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.283 0.391 -4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.601 -0.186 -4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.940 -1.355 -4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.784 0.563 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.342 1.606 -1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.966 0.967 -2.928 1.00 0.00 H new ATOM 85 N ALA A 7 -5.244 -0.042 0.216 1.00 0.00 N ATOM 86 CA ALA A 7 -4.607 0.675 1.321 1.00 0.00 C ATOM 87 C ALA A 7 -3.089 0.840 1.178 1.00 0.00 C ATOM 88 O ALA A 7 -2.656 1.868 0.662 1.00 0.00 O ATOM 89 CB ALA A 7 -5.021 0.042 2.653 1.00 0.00 C ATOM 0 H ALA A 7 -6.206 0.274 0.095 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.974 1.701 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.545 0.578 3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.104 0.099 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.709 -1.002 2.672 1.00 0.00 H new ATOM 95 N GLY A 8 -2.302 -0.183 1.542 1.00 0.00 N ATOM 96 CA GLY A 8 -0.874 -0.292 1.259 1.00 0.00 C ATOM 97 C GLY A 8 -0.505 0.165 -0.157 1.00 0.00 C ATOM 98 O GLY A 8 0.527 0.798 -0.340 1.00 0.00 O ATOM 0 H GLY A 8 -2.662 -0.984 2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.320 0.305 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.561 -1.327 1.393 1.00 0.00 H new ATOM 102 N PHE A 9 -1.362 -0.086 -1.153 1.00 0.00 N ATOM 103 CA PHE A 9 -1.244 0.454 -2.504 1.00 0.00 C ATOM 104 C PHE A 9 -0.979 1.965 -2.495 1.00 0.00 C ATOM 105 O PHE A 9 0.017 2.420 -3.051 1.00 0.00 O ATOM 106 CB PHE A 9 -2.540 0.149 -3.263 1.00 0.00 C ATOM 107 CG PHE A 9 -2.524 0.580 -4.716 1.00 0.00 C ATOM 108 CD1 PHE A 9 -1.767 -0.144 -5.657 1.00 0.00 C ATOM 109 CD2 PHE A 9 -3.258 1.709 -5.129 1.00 0.00 C ATOM 110 CE1 PHE A 9 -1.748 0.256 -7.004 1.00 0.00 C ATOM 111 CE2 PHE A 9 -3.238 2.109 -6.476 1.00 0.00 C ATOM 112 CZ PHE A 9 -2.483 1.383 -7.414 1.00 0.00 C ATOM 0 H PHE A 9 -2.177 -0.687 -1.034 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.393 -0.016 -2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.732 -0.923 -3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.369 0.644 -2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.200 -1.008 -5.343 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.837 2.268 -4.409 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.169 -0.302 -7.725 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.803 2.974 -6.791 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.467 1.691 -8.449 1.00 0.00 H new ATOM 122 N ILE A 10 -1.866 2.725 -1.847 1.00 0.00 N ATOM 123 CA ILE A 10 -1.823 4.178 -1.737 1.00 0.00 C ATOM 124 C ILE A 10 -0.604 4.604 -0.908 1.00 0.00 C ATOM 125 O ILE A 10 -0.013 5.648 -1.176 1.00 0.00 O ATOM 126 CB ILE A 10 -3.153 4.688 -1.124 1.00 0.00 C ATOM 127 CG1 ILE A 10 -4.383 4.314 -1.986 1.00 0.00 C ATOM 128 CG2 ILE A 10 -3.139 6.215 -0.986 1.00 0.00 C ATOM 129 CD1 ILE A 10 -5.112 3.084 -1.448 1.00 0.00 C ATOM 0 H ILE A 10 -2.669 2.322 -1.364 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.716 4.626 -2.725 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.235 4.207 -0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.072 5.158 -2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.063 4.125 -3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.082 6.550 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.316 6.514 -0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.009 6.668 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.967 2.860 -2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.432 2.232 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.457 3.281 -0.433 1.00 0.00 H new ATOM 141 N GLU A 11 -0.204 3.783 0.068 1.00 0.00 N ATOM 142 CA GLU A 11 1.011 3.983 0.867 1.00 0.00 C ATOM 143 C GLU A 11 2.300 3.761 0.042 1.00 0.00 C ATOM 144 O GLU A 11 3.403 3.857 0.584 1.00 0.00 O ATOM 145 CB GLU A 11 0.971 3.071 2.108 1.00 0.00 C ATOM 146 CG GLU A 11 -0.244 3.331 3.023 1.00 0.00 C ATOM 147 CD GLU A 11 -0.556 2.144 3.943 1.00 0.00 C ATOM 148 OE1 GLU A 11 0.389 1.643 4.591 1.00 0.00 O ATOM 149 OE2 GLU A 11 -1.739 1.731 3.972 1.00 0.00 O ATOM 0 H GLU A 11 -0.724 2.946 0.330 1.00 0.00 H new ATOM 0 HA GLU A 11 1.035 5.023 1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.956 2.030 1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.886 3.213 2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.054 4.216 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.117 3.548 2.408 1.00 0.00 H new ATOM 156 N ASN A 12 2.175 3.425 -1.253 1.00 0.00 N ATOM 157 CA ASN A 12 3.241 3.155 -2.221 1.00 0.00 C ATOM 158 C ASN A 12 3.915 1.841 -1.840 1.00 0.00 C ATOM 159 O ASN A 12 5.101 1.614 -2.063 1.00 0.00 O ATOM 160 CB ASN A 12 4.176 4.362 -2.432 1.00 0.00 C ATOM 161 CG ASN A 12 3.501 5.466 -3.243 1.00 0.00 C ATOM 162 OD1 ASN A 12 2.927 5.210 -4.296 1.00 0.00 O ATOM 163 ND2 ASN A 12 3.573 6.713 -2.802 1.00 0.00 N ATOM 0 H ASN A 12 1.253 3.329 -1.679 1.00 0.00 H new ATOM 0 HA ASN A 12 2.827 3.018 -3.220 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.483 4.758 -1.464 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.081 4.036 -2.944 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.149 7.469 -3.339 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.052 6.917 -1.925 1.00 0.00 H new ATOM 170 N GLY A 13 3.101 0.983 -1.223 1.00 0.00 N ATOM 171 CA GLY A 13 3.407 -0.267 -0.593 1.00 0.00 C ATOM 172 C GLY A 13 3.968 -0.113 0.825 1.00 0.00 C ATOM 173 O GLY A 13 4.200 -1.133 1.468 1.00 0.00 O ATOM 0 H GLY A 13 2.104 1.187 -1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.504 -0.876 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.130 -0.807 -1.205 1.00 0.00 H new ATOM 177 N ALA A 14 4.144 1.133 1.293 1.00 0.00 N ATOM 178 CA ALA A 14 4.944 1.641 2.404 1.00 0.00 C ATOM 179 C ALA A 14 6.276 2.131 1.826 1.00 0.00 C ATOM 180 O ALA A 14 7.314 1.471 1.927 1.00 0.00 O ATOM 181 CB ALA A 14 5.118 0.660 3.574 1.00 0.00 C ATOM 0 H ALA A 14 3.661 1.905 0.834 1.00 0.00 H new ATOM 0 HA ALA A 14 4.406 2.466 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.726 1.124 4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.140 0.404 3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.612 -0.245 3.220 1.00 0.00 H new ATOM 187 N GLU A 15 6.242 3.306 1.194 1.00 0.00 N ATOM 188 CA GLU A 15 7.452 4.004 0.764 1.00 0.00 C ATOM 189 C GLU A 15 8.450 4.126 1.926 1.00 0.00 C ATOM 190 O GLU A 15 8.072 4.354 3.075 1.00 0.00 O ATOM 191 CB GLU A 15 7.112 5.367 0.140 1.00 0.00 C ATOM 192 CG GLU A 15 6.205 6.270 0.995 1.00 0.00 C ATOM 193 CD GLU A 15 5.846 7.558 0.254 1.00 0.00 C ATOM 194 OE1 GLU A 15 5.022 7.462 -0.685 1.00 0.00 O ATOM 195 OE2 GLU A 15 6.387 8.621 0.628 1.00 0.00 O ATOM 0 H GLU A 15 5.378 3.798 0.967 1.00 0.00 H new ATOM 0 HA GLU A 15 7.935 3.414 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.042 5.899 -0.061 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.627 5.198 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.294 5.732 1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.709 6.514 1.930 1.00 0.00 H new ATOM 202 N GLY A 16 9.734 3.906 1.631 1.00 0.00 N ATOM 203 CA GLY A 16 10.834 3.826 2.577 1.00 0.00 C ATOM 204 C GLY A 16 11.108 2.383 2.967 1.00 0.00 C ATOM 205 O GLY A 16 12.260 1.969 3.086 1.00 0.00 O ATOM 0 H GLY A 16 10.044 3.772 0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.730 4.265 2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.597 4.409 3.467 1.00 0.00 H new ATOM 209 N MET A 17 10.044 1.598 3.127 1.00 0.00 N ATOM 210 CA MET A 17 10.095 0.183 3.371 1.00 0.00 C ATOM 211 C MET A 17 10.443 -0.554 2.080 1.00 0.00 C ATOM 212 O MET A 17 11.189 -1.529 2.126 1.00 0.00 O ATOM 213 CB MET A 17 8.728 -0.241 3.930 1.00 0.00 C ATOM 214 CG MET A 17 8.966 -1.004 5.216 1.00 0.00 C ATOM 215 SD MET A 17 7.542 -1.888 5.917 1.00 0.00 S ATOM 216 CE MET A 17 7.214 -3.118 4.626 1.00 0.00 C ATOM 0 H MET A 17 9.091 1.959 3.086 1.00 0.00 H new ATOM 0 HA MET A 17 10.870 -0.068 4.095 1.00 0.00 H new ATOM 0 HB2 MET A 17 8.104 0.633 4.115 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.198 -0.864 3.210 1.00 0.00 H new ATOM 0 HG2 MET A 17 9.762 -1.727 5.040 1.00 0.00 H new ATOM 0 HG3 MET A 17 9.333 -0.302 5.965 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.542 -3.883 5.015 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.752 -2.630 3.768 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.151 -3.581 4.318 1.00 0.00 H new ATOM 226 N ILE A 18 9.973 -0.037 0.934 1.00 0.00 N ATOM 227 CA ILE A 18 10.377 -0.520 -0.392 1.00 0.00 C ATOM 228 C ILE A 18 11.876 -0.274 -0.547 1.00 0.00 C ATOM 229 O ILE A 18 12.630 -1.184 -0.879 1.00 0.00 O ATOM 230 CB ILE A 18 9.540 0.146 -1.520 1.00 0.00 C ATOM 231 CG1 ILE A 18 8.212 -0.607 -1.744 1.00 0.00 C ATOM 232 CG2 ILE A 18 10.268 0.175 -2.881 1.00 0.00 C ATOM 233 CD1 ILE A 18 7.186 -0.403 -0.636 1.00 0.00 C ATOM 0 H ILE A 18 9.301 0.729 0.903 1.00 0.00 H new ATOM 0 HA ILE A 18 10.181 -1.589 -0.481 1.00 0.00 H new ATOM 0 HB ILE A 18 9.370 1.167 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.778 -0.283 -2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 18 8.422 -1.672 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.630 0.652 -3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.197 0.737 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.492 -0.844 -3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 18 6.282 -0.965 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.598 -0.754 0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.944 0.657 -0.555 1.00 0.00 H new ATOM 245 N ASP A 19 12.306 0.955 -0.267 1.00 0.00 N ATOM 246 CA ASP A 19 13.669 1.451 -0.417 1.00 0.00 C ATOM 247 C ASP A 19 14.656 0.684 0.475 1.00 0.00 C ATOM 248 O ASP A 19 15.850 0.652 0.181 1.00 0.00 O ATOM 249 CB ASP A 19 13.684 2.961 -0.103 1.00 0.00 C ATOM 250 CG ASP A 19 12.581 3.742 -0.838 1.00 0.00 C ATOM 251 OD1 ASP A 19 11.389 3.489 -0.519 1.00 0.00 O ATOM 252 OD2 ASP A 19 12.936 4.567 -1.705 1.00 0.00 O ATOM 0 H ASP A 19 11.674 1.671 0.091 1.00 0.00 H new ATOM 0 HA ASP A 19 13.996 1.290 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.567 3.104 0.971 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.656 3.373 -0.376 1.00 0.00 H new ATOM 257 N GLY A 20 14.156 0.027 1.532 1.00 0.00 N ATOM 258 CA GLY A 20 14.902 -0.866 2.406 1.00 0.00 C ATOM 259 C GLY A 20 14.573 -2.350 2.205 1.00 0.00 C ATOM 260 O GLY A 20 15.075 -3.168 2.975 1.00 0.00 O ATOM 0 H GLY A 20 13.177 0.113 1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.968 -0.715 2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.700 -0.596 3.443 1.00 0.00 H new TER 264 GLY A 20