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+ -105:sc= 0.107 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.804 K(o=-0.8,f=-4.1!) USER MOD Single : A 17 MET CE :methyl -176:sc= -0.0808 (180deg=-0.0949) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.472 -8.079 4.768 1.00 0.00 N ATOM 2 CA GLY A 1 -9.525 -7.444 3.954 1.00 0.00 C ATOM 3 C GLY A 1 -8.894 -6.603 2.854 1.00 0.00 C ATOM 4 O GLY A 1 -7.756 -6.169 3.020 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.408 -9.089 4.526 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.560 -7.618 4.576 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.705 -7.978 5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.168 -8.207 3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.157 -6.818 4.585 1.00 0.00 H new ATOM 10 N LEU A 2 -9.621 -6.376 1.750 1.00 0.00 N ATOM 11 CA LEU A 2 -9.095 -5.793 0.508 1.00 0.00 C ATOM 12 C LEU A 2 -8.415 -4.430 0.683 1.00 0.00 C ATOM 13 O LEU A 2 -7.518 -4.104 -0.087 1.00 0.00 O ATOM 14 CB LEU A 2 -10.207 -5.732 -0.558 1.00 0.00 C ATOM 15 CG LEU A 2 -11.309 -4.676 -0.294 1.00 0.00 C ATOM 16 CD1 LEU A 2 -11.041 -3.354 -1.030 1.00 0.00 C ATOM 17 CD2 LEU A 2 -12.677 -5.211 -0.737 1.00 0.00 C ATOM 0 H LEU A 2 -10.615 -6.598 1.695 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.299 -6.458 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -9.751 -5.525 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.675 -6.714 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.302 -4.482 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.842 -2.647 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.090 -2.938 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.001 -3.537 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.442 -4.458 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -12.651 -5.439 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.912 -6.117 -0.178 1.00 0.00 H new ATOM 29 N PHE A 3 -8.777 -3.667 1.720 1.00 0.00 N ATOM 30 CA PHE A 3 -8.166 -2.387 2.057 1.00 0.00 C ATOM 31 C PHE A 3 -6.656 -2.542 2.186 1.00 0.00 C ATOM 32 O PHE A 3 -5.877 -1.815 1.580 1.00 0.00 O ATOM 33 CB PHE A 3 -8.736 -1.958 3.410 1.00 0.00 C ATOM 34 CG PHE A 3 -8.493 -0.501 3.752 1.00 0.00 C ATOM 35 CD1 PHE A 3 -9.305 0.500 3.185 1.00 0.00 C ATOM 36 CD2 PHE A 3 -7.439 -0.142 4.614 1.00 0.00 C ATOM 37 CE1 PHE A 3 -9.067 1.854 3.484 1.00 0.00 C ATOM 38 CE2 PHE A 3 -7.205 1.212 4.916 1.00 0.00 C ATOM 39 CZ PHE A 3 -8.018 2.210 4.351 1.00 0.00 C ATOM 0 H PHE A 3 -9.523 -3.934 2.362 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.376 -1.651 1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -9.809 -2.147 3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.298 -2.581 4.190 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -10.111 0.228 2.520 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.809 -0.907 5.044 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.690 2.621 3.048 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -6.400 1.485 5.582 1.00 0.00 H new ATOM 0 HZ PHE A 3 -7.837 3.249 4.582 1.00 0.00 H new ATOM 49 N GLY A 4 -6.283 -3.565 2.950 1.00 0.00 N ATOM 50 CA GLY A 4 -4.908 -3.960 3.222 1.00 0.00 C ATOM 51 C GLY A 4 -4.151 -4.491 2.000 1.00 0.00 C ATOM 52 O GLY A 4 -2.942 -4.680 2.101 1.00 0.00 O ATOM 0 H GLY A 4 -6.962 -4.166 3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.369 -3.102 3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.909 -4.728 3.996 1.00 0.00 H new ATOM 56 N ALA A 5 -4.820 -4.731 0.861 1.00 0.00 N ATOM 57 CA ALA A 5 -4.144 -5.021 -0.402 1.00 0.00 C ATOM 58 C ALA A 5 -3.841 -3.740 -1.192 1.00 0.00 C ATOM 59 O ALA A 5 -2.978 -3.770 -2.067 1.00 0.00 O ATOM 60 CB ALA A 5 -4.997 -5.972 -1.250 1.00 0.00 C ATOM 0 H ALA A 5 -5.838 -4.728 0.795 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.193 -5.499 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.484 -6.182 -2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.153 -6.904 -0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.961 -5.508 -1.459 1.00 0.00 H new ATOM 66 N ILE A 6 -4.544 -2.635 -0.906 1.00 0.00 N ATOM 67 CA ILE A 6 -4.327 -1.326 -1.502 1.00 0.00 C ATOM 68 C ILE A 6 -3.890 -0.314 -0.440 1.00 0.00 C ATOM 69 O ILE A 6 -2.740 -0.377 -0.021 1.00 0.00 O ATOM 70 CB ILE A 6 -5.497 -0.886 -2.404 1.00 0.00 C ATOM 71 CG1 ILE A 6 -6.840 -1.349 -1.845 1.00 0.00 C ATOM 72 CG2 ILE A 6 -5.275 -1.465 -3.799 1.00 0.00 C ATOM 73 CD1 ILE A 6 -8.055 -0.612 -2.418 1.00 0.00 C ATOM 0 H ILE A 6 -5.305 -2.637 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.491 -1.389 -2.198 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.525 0.203 -2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.952 -2.415 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.832 -1.223 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.094 -1.164 -4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.333 -1.092 -4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.239 -2.553 -3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.966 -1.005 -1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.971 0.453 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.094 -0.759 -3.497 1.00 0.00 H new ATOM 85 N ALA A 7 -4.784 0.601 -0.039 1.00 0.00 N ATOM 86 CA ALA A 7 -4.618 1.812 0.770 1.00 0.00 C ATOM 87 C ALA A 7 -3.231 2.466 0.695 1.00 0.00 C ATOM 88 O ALA A 7 -3.073 3.424 -0.064 1.00 0.00 O ATOM 89 CB ALA A 7 -5.074 1.543 2.208 1.00 0.00 C ATOM 0 H ALA A 7 -5.762 0.493 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.265 2.569 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.948 2.447 2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.124 1.251 2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.474 0.740 2.636 1.00 0.00 H new ATOM 95 N GLY A 8 -2.227 1.925 1.399 1.00 0.00 N ATOM 96 CA GLY A 8 -0.821 2.290 1.252 1.00 0.00 C ATOM 97 C GLY A 8 -0.387 2.350 -0.218 1.00 0.00 C ATOM 98 O GLY A 8 0.428 3.185 -0.601 1.00 0.00 O ATOM 0 H GLY A 8 -2.380 1.203 2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.649 3.259 1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.202 1.566 1.782 1.00 0.00 H new ATOM 102 N PHE A 9 -0.981 1.520 -1.082 1.00 0.00 N ATOM 103 CA PHE A 9 -0.749 1.564 -2.517 1.00 0.00 C ATOM 104 C PHE A 9 -1.062 2.922 -3.150 1.00 0.00 C ATOM 105 O PHE A 9 -0.406 3.330 -4.103 1.00 0.00 O ATOM 106 CB PHE A 9 -1.566 0.490 -3.227 1.00 0.00 C ATOM 107 CG PHE A 9 -0.928 0.164 -4.555 1.00 0.00 C ATOM 108 CD1 PHE A 9 0.235 -0.627 -4.579 1.00 0.00 C ATOM 109 CD2 PHE A 9 -1.382 0.786 -5.731 1.00 0.00 C ATOM 110 CE1 PHE A 9 0.939 -0.804 -5.781 1.00 0.00 C ATOM 111 CE2 PHE A 9 -0.681 0.604 -6.935 1.00 0.00 C ATOM 112 CZ PHE A 9 0.477 -0.196 -6.962 1.00 0.00 C ATOM 0 H PHE A 9 -1.640 0.796 -0.796 1.00 0.00 H new ATOM 0 HA PHE A 9 0.318 1.383 -2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.622 -0.406 -2.609 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.588 0.837 -3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.586 -1.098 -3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.268 1.403 -5.709 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.835 -1.407 -5.799 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.031 1.078 -7.840 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.011 -0.343 -7.889 1.00 0.00 H new ATOM 122 N ILE A 10 -2.080 3.607 -2.636 1.00 0.00 N ATOM 123 CA ILE A 10 -2.504 4.912 -3.109 1.00 0.00 C ATOM 124 C ILE A 10 -1.737 5.995 -2.354 1.00 0.00 C ATOM 125 O ILE A 10 -1.371 7.008 -2.947 1.00 0.00 O ATOM 126 CB ILE A 10 -4.039 5.038 -2.956 1.00 0.00 C ATOM 127 CG1 ILE A 10 -4.794 3.976 -3.790 1.00 0.00 C ATOM 128 CG2 ILE A 10 -4.513 6.417 -3.424 1.00 0.00 C ATOM 129 CD1 ILE A 10 -5.232 2.784 -2.943 1.00 0.00 C ATOM 0 H ILE A 10 -2.643 3.258 -1.861 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.277 5.037 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.257 4.889 -1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.669 4.433 -4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.152 3.628 -4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.595 6.488 -3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.033 7.190 -2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.249 6.556 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.758 2.065 -3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.355 2.309 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.896 3.126 -2.149 1.00 0.00 H new ATOM 141 N GLU A 11 -1.463 5.772 -1.066 1.00 0.00 N ATOM 142 CA GLU A 11 -0.676 6.699 -0.259 1.00 0.00 C ATOM 143 C GLU A 11 0.773 6.797 -0.768 1.00 0.00 C ATOM 144 O GLU A 11 1.387 7.852 -0.608 1.00 0.00 O ATOM 145 CB GLU A 11 -0.743 6.287 1.220 1.00 0.00 C ATOM 146 CG GLU A 11 -2.179 6.363 1.776 1.00 0.00 C ATOM 147 CD GLU A 11 -2.313 5.699 3.149 1.00 0.00 C ATOM 148 OE1 GLU A 11 -1.926 6.351 4.144 1.00 0.00 O ATOM 149 OE2 GLU A 11 -2.828 4.557 3.188 1.00 0.00 O ATOM 0 H GLU A 11 -1.780 4.946 -0.558 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.103 7.698 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.365 5.271 1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.092 6.935 1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.481 7.408 1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.862 5.882 1.076 1.00 0.00 H new ATOM 156 N ASN A 12 1.306 5.749 -1.421 1.00 0.00 N ATOM 157 CA ASN A 12 2.593 5.788 -2.125 1.00 0.00 C ATOM 158 C ASN A 12 2.809 4.624 -3.091 1.00 0.00 C ATOM 159 O ASN A 12 3.499 4.802 -4.093 1.00 0.00 O ATOM 160 CB ASN A 12 3.787 5.796 -1.151 1.00 0.00 C ATOM 161 CG ASN A 12 4.072 4.465 -0.453 1.00 0.00 C ATOM 162 OD1 ASN A 12 3.175 3.790 0.031 1.00 0.00 O ATOM 163 ND2 ASN A 12 5.323 4.032 -0.402 1.00 0.00 N ATOM 0 H ASN A 12 0.846 4.840 -1.473 1.00 0.00 H new ATOM 0 HA ASN A 12 2.546 6.717 -2.694 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.679 6.098 -1.699 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.608 6.555 -0.390 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.536 3.138 0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.074 4.593 -0.805 1.00 0.00 H new ATOM 170 N GLY A 13 2.297 3.435 -2.763 1.00 0.00 N ATOM 171 CA GLY A 13 2.637 2.194 -3.449 1.00 0.00 C ATOM 172 C GLY A 13 2.895 1.017 -2.500 1.00 0.00 C ATOM 173 O GLY A 13 3.148 -0.079 -2.994 1.00 0.00 O ATOM 0 H GLY A 13 1.627 3.310 -2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.826 1.931 -4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.525 2.358 -4.060 1.00 0.00 H new ATOM 177 N ALA A 14 2.816 1.246 -1.178 1.00 0.00 N ATOM 178 CA ALA A 14 3.195 0.399 -0.050 1.00 0.00 C ATOM 179 C ALA A 14 4.661 0.673 0.267 1.00 0.00 C ATOM 180 O ALA A 14 5.565 0.226 -0.438 1.00 0.00 O ATOM 181 CB ALA A 14 2.918 -1.099 -0.233 1.00 0.00 C ATOM 0 H ALA A 14 2.441 2.134 -0.844 1.00 0.00 H new ATOM 0 HA ALA A 14 2.554 0.665 0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.235 -1.639 0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.851 -1.255 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.471 -1.468 -1.096 1.00 0.00 H new ATOM 187 N GLU A 15 4.890 1.463 1.312 1.00 0.00 N ATOM 188 CA GLU A 15 6.176 1.585 1.981 1.00 0.00 C ATOM 189 C GLU A 15 6.533 0.265 2.689 1.00 0.00 C ATOM 190 O GLU A 15 5.783 -0.712 2.687 1.00 0.00 O ATOM 191 CB GLU A 15 6.203 2.819 2.917 1.00 0.00 C ATOM 192 CG GLU A 15 4.865 3.313 3.504 1.00 0.00 C ATOM 193 CD GLU A 15 4.030 2.204 4.151 1.00 0.00 C ATOM 194 OE1 GLU A 15 4.292 1.888 5.332 1.00 0.00 O ATOM 195 OE2 GLU A 15 3.153 1.678 3.425 1.00 0.00 O ATOM 0 H GLU A 15 4.166 2.050 1.726 1.00 0.00 H new ATOM 0 HA GLU A 15 6.955 1.762 1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.869 2.592 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.651 3.646 2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.067 4.084 4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.281 3.780 2.711 1.00 0.00 H new ATOM 202 N GLY A 16 7.765 0.192 3.188 1.00 0.00 N ATOM 203 CA GLY A 16 8.408 -0.994 3.734 1.00 0.00 C ATOM 204 C GLY A 16 9.010 -1.830 2.611 1.00 0.00 C ATOM 205 O GLY A 16 10.110 -2.358 2.752 1.00 0.00 O ATOM 0 H GLY A 16 8.374 1.009 3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.187 -0.703 4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.682 -1.587 4.290 1.00 0.00 H new ATOM 209 N MET A 17 8.311 -1.882 1.474 1.00 0.00 N ATOM 210 CA MET A 17 8.734 -2.517 0.244 1.00 0.00 C ATOM 211 C MET A 17 9.996 -1.859 -0.312 1.00 0.00 C ATOM 212 O MET A 17 10.852 -2.534 -0.878 1.00 0.00 O ATOM 213 CB MET A 17 7.586 -2.385 -0.771 1.00 0.00 C ATOM 214 CG MET A 17 7.399 -3.701 -1.510 1.00 0.00 C ATOM 215 SD MET A 17 6.743 -3.582 -3.199 1.00 0.00 S ATOM 216 CE MET A 17 5.193 -2.692 -2.903 1.00 0.00 C ATOM 0 H MET A 17 7.387 -1.457 1.393 1.00 0.00 H new ATOM 0 HA MET A 17 8.967 -3.564 0.435 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.664 -2.111 -0.258 1.00 0.00 H new ATOM 0 HB3 MET A 17 7.805 -1.587 -1.480 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.361 -4.211 -1.551 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.729 -4.331 -0.925 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.639 -2.604 -3.838 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.593 -3.239 -2.176 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.413 -1.697 -2.517 1.00 0.00 H new ATOM 226 N ILE A 18 10.079 -0.534 -0.161 1.00 0.00 N ATOM 227 CA ILE A 18 11.231 0.276 -0.535 1.00 0.00 C ATOM 228 C ILE A 18 12.176 0.368 0.671 1.00 0.00 C ATOM 229 O ILE A 18 13.391 0.254 0.537 1.00 0.00 O ATOM 230 CB ILE A 18 10.766 1.689 -0.980 1.00 0.00 C ATOM 231 CG1 ILE A 18 9.633 1.689 -2.037 1.00 0.00 C ATOM 232 CG2 ILE A 18 11.960 2.480 -1.547 1.00 0.00 C ATOM 233 CD1 ILE A 18 8.226 1.740 -1.429 1.00 0.00 C ATOM 0 H ILE A 18 9.319 0.017 0.238 1.00 0.00 H new ATOM 0 HA ILE A 18 11.757 -0.183 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 18 10.362 2.156 -0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.765 2.545 -2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.722 0.794 -2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.626 3.470 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.728 2.580 -0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.372 1.951 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.484 1.737 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.074 0.870 -0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.118 2.649 -0.837 1.00 0.00 H new ATOM 245 N ASP A 19 11.593 0.629 1.843 1.00 0.00 N ATOM 246 CA ASP A 19 12.254 1.177 3.021 1.00 0.00 C ATOM 247 C ASP A 19 12.970 0.113 3.861 1.00 0.00 C ATOM 248 O ASP A 19 13.735 0.468 4.757 1.00 0.00 O ATOM 249 CB ASP A 19 11.204 1.915 3.878 1.00 0.00 C ATOM 250 CG ASP A 19 10.267 2.800 3.045 1.00 0.00 C ATOM 251 OD1 ASP A 19 9.404 2.196 2.357 1.00 0.00 O ATOM 252 OD2 ASP A 19 10.437 4.036 3.075 1.00 0.00 O ATOM 0 H ASP A 19 10.600 0.454 2.000 1.00 0.00 H new ATOM 0 HA ASP A 19 13.028 1.864 2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.611 1.183 4.427 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.715 2.531 4.618 1.00 0.00 H new ATOM 257 N GLY A 20 12.736 -1.178 3.591 1.00 0.00 N ATOM 258 CA GLY A 20 13.359 -2.296 4.283 1.00 0.00 C ATOM 259 C GLY A 20 13.918 -3.318 3.296 1.00 0.00 C ATOM 260 O GLY A 20 13.612 -3.292 2.106 1.00 0.00 O ATOM 0 H GLY A 20 12.087 -1.474 2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.161 -1.929 4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.628 -2.777 4.933 1.00 0.00 H new TER 264 GLY A 20