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+ -98:sc= 0.105 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.461 K(o=0.46,f=-8.9!) USER MOD Single : A 17 MET CE :methyl 163:sc= -0.0401 (180deg=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.576 -8.207 4.608 1.00 0.00 N ATOM 2 CA GLY A 1 -10.517 -7.489 3.728 1.00 0.00 C ATOM 3 C GLY A 1 -9.750 -6.699 2.679 1.00 0.00 C ATOM 4 O GLY A 1 -8.603 -6.334 2.931 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.486 -9.193 4.289 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.645 -7.745 4.571 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.932 -8.190 5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.187 -8.199 3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.139 -6.816 4.319 1.00 0.00 H new ATOM 10 N LEU A 2 -10.375 -6.435 1.521 1.00 0.00 N ATOM 11 CA LEU A 2 -9.725 -5.889 0.321 1.00 0.00 C ATOM 12 C LEU A 2 -8.977 -4.570 0.545 1.00 0.00 C ATOM 13 O LEU A 2 -8.021 -4.290 -0.171 1.00 0.00 O ATOM 14 CB LEU A 2 -10.755 -5.757 -0.819 1.00 0.00 C ATOM 15 CG LEU A 2 -11.797 -4.628 -0.626 1.00 0.00 C ATOM 16 CD1 LEU A 2 -11.392 -3.330 -1.342 1.00 0.00 C ATOM 17 CD2 LEU A 2 -13.167 -5.068 -1.157 1.00 0.00 C ATOM 0 H LEU A 2 -11.373 -6.600 1.391 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.951 -6.604 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.221 -5.584 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.283 -6.705 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.846 -4.432 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -12.155 -2.570 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.438 -2.979 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.295 -3.519 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.888 -4.263 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.088 -5.300 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -13.500 -5.954 -0.616 1.00 0.00 H new ATOM 29 N PHE A 3 -9.350 -3.795 1.568 1.00 0.00 N ATOM 30 CA PHE A 3 -8.695 -2.550 1.952 1.00 0.00 C ATOM 31 C PHE A 3 -7.203 -2.776 2.161 1.00 0.00 C ATOM 32 O PHE A 3 -6.361 -2.045 1.647 1.00 0.00 O ATOM 33 CB PHE A 3 -9.315 -2.123 3.282 1.00 0.00 C ATOM 34 CG PHE A 3 -9.061 -0.675 3.655 1.00 0.00 C ATOM 35 CD1 PHE A 3 -9.760 0.356 2.998 1.00 0.00 C ATOM 36 CD2 PHE A 3 -8.111 -0.354 4.645 1.00 0.00 C ATOM 37 CE1 PHE A 3 -9.511 1.700 3.330 1.00 0.00 C ATOM 38 CE2 PHE A 3 -7.867 0.990 4.979 1.00 0.00 C ATOM 39 CZ PHE A 3 -8.566 2.018 4.321 1.00 0.00 C ATOM 0 H PHE A 3 -10.141 -4.028 2.168 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.825 -1.796 1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -10.391 -2.291 3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.925 -2.763 4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -10.488 0.114 2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -7.569 -1.141 5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.047 2.489 2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -7.142 1.233 5.742 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.377 3.050 4.577 1.00 0.00 H new ATOM 49 N GLY A 4 -6.914 -3.857 2.879 1.00 0.00 N ATOM 50 CA GLY A 4 -5.570 -4.324 3.192 1.00 0.00 C ATOM 51 C GLY A 4 -4.756 -4.766 1.971 1.00 0.00 C ATOM 52 O GLY A 4 -3.548 -4.939 2.107 1.00 0.00 O ATOM 0 H GLY A 4 -7.640 -4.455 3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.031 -3.527 3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.641 -5.159 3.888 1.00 0.00 H new ATOM 56 N ALA A 5 -5.378 -4.944 0.795 1.00 0.00 N ATOM 57 CA ALA A 5 -4.665 -5.191 -0.458 1.00 0.00 C ATOM 58 C ALA A 5 -4.341 -3.888 -1.203 1.00 0.00 C ATOM 59 O ALA A 5 -3.485 -3.902 -2.085 1.00 0.00 O ATOM 60 CB ALA A 5 -5.494 -6.116 -1.355 1.00 0.00 C ATOM 0 H ALA A 5 -6.392 -4.920 0.691 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.718 -5.670 -0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.958 -6.296 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.662 -7.064 -0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.453 -5.647 -1.574 1.00 0.00 H new ATOM 66 N ILE A 6 -5.015 -2.779 -0.868 1.00 0.00 N ATOM 67 CA ILE A 6 -4.785 -1.455 -1.428 1.00 0.00 C ATOM 68 C ILE A 6 -4.300 -0.494 -0.345 1.00 0.00 C ATOM 69 O ILE A 6 -3.130 -0.567 0.017 1.00 0.00 O ATOM 70 CB ILE A 6 -5.964 -0.950 -2.282 1.00 0.00 C ATOM 71 CG1 ILE A 6 -7.306 -1.388 -1.703 1.00 0.00 C ATOM 72 CG2 ILE A 6 -5.794 -1.480 -3.703 1.00 0.00 C ATOM 73 CD1 ILE A 6 -8.512 -0.607 -2.238 1.00 0.00 C ATOM 0 H ILE A 6 -5.762 -2.788 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.973 -1.519 -2.152 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.961 0.140 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.451 -2.447 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.272 -1.282 -0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.621 -1.132 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.853 -1.117 -4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.787 -2.570 -3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.424 -0.983 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.394 0.451 -2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.576 -0.733 -3.319 1.00 0.00 H new ATOM 85 N ALA A 7 -5.176 0.401 0.130 1.00 0.00 N ATOM 86 CA ALA A 7 -4.983 1.553 1.007 1.00 0.00 C ATOM 87 C ALA A 7 -3.593 2.204 0.946 1.00 0.00 C ATOM 88 O ALA A 7 -3.447 3.241 0.302 1.00 0.00 O ATOM 89 CB ALA A 7 -5.410 1.191 2.434 1.00 0.00 C ATOM 0 H ALA A 7 -6.160 0.319 -0.127 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.631 2.342 0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.265 2.052 3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.462 0.906 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.807 0.357 2.794 1.00 0.00 H new ATOM 95 N GLY A 8 -2.571 1.600 1.568 1.00 0.00 N ATOM 96 CA GLY A 8 -1.168 1.984 1.426 1.00 0.00 C ATOM 97 C GLY A 8 -0.723 2.131 -0.035 1.00 0.00 C ATOM 98 O GLY A 8 0.155 2.943 -0.326 1.00 0.00 O ATOM 0 H GLY A 8 -2.706 0.810 2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.003 2.928 1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.543 1.237 1.915 1.00 0.00 H new ATOM 102 N PHE A 9 -1.357 1.404 -0.965 1.00 0.00 N ATOM 103 CA PHE A 9 -1.146 1.541 -2.402 1.00 0.00 C ATOM 104 C PHE A 9 -1.516 2.928 -2.943 1.00 0.00 C ATOM 105 O PHE A 9 -1.013 3.338 -3.985 1.00 0.00 O ATOM 106 CB PHE A 9 -1.998 0.498 -3.126 1.00 0.00 C ATOM 107 CG PHE A 9 -1.572 0.298 -4.565 1.00 0.00 C ATOM 108 CD1 PHE A 9 -0.337 -0.316 -4.849 1.00 0.00 C ATOM 109 CD2 PHE A 9 -2.370 0.790 -5.615 1.00 0.00 C ATOM 110 CE1 PHE A 9 0.096 -0.443 -6.180 1.00 0.00 C ATOM 111 CE2 PHE A 9 -1.937 0.661 -6.945 1.00 0.00 C ATOM 112 CZ PHE A 9 -0.706 0.042 -7.230 1.00 0.00 C ATOM 0 H PHE A 9 -2.045 0.690 -0.728 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.081 1.396 -2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.932 -0.452 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.043 0.806 -3.099 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.278 -0.690 -4.044 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.315 1.266 -5.398 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.044 -0.913 -6.397 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.550 1.038 -7.750 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.377 -0.061 -8.253 1.00 0.00 H new ATOM 122 N ILE A 10 -2.412 3.639 -2.258 1.00 0.00 N ATOM 123 CA ILE A 10 -2.895 4.955 -2.640 1.00 0.00 C ATOM 124 C ILE A 10 -2.225 5.998 -1.749 1.00 0.00 C ATOM 125 O ILE A 10 -1.804 7.038 -2.249 1.00 0.00 O ATOM 126 CB ILE A 10 -4.437 4.977 -2.551 1.00 0.00 C ATOM 127 CG1 ILE A 10 -5.088 3.945 -3.503 1.00 0.00 C ATOM 128 CG2 ILE A 10 -4.978 6.362 -2.918 1.00 0.00 C ATOM 129 CD1 ILE A 10 -5.573 2.706 -2.755 1.00 0.00 C ATOM 0 H ILE A 10 -2.832 3.298 -1.393 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.636 5.193 -3.672 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.690 4.725 -1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.928 4.408 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.367 3.650 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.066 6.358 -2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.574 7.104 -2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.680 6.611 -3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.023 2.008 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.729 2.227 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.314 2.997 -2.010 1.00 0.00 H new ATOM 141 N GLU A 11 -2.078 5.710 -0.450 1.00 0.00 N ATOM 142 CA GLU A 11 -1.399 6.591 0.494 1.00 0.00 C ATOM 143 C GLU A 11 0.092 6.750 0.147 1.00 0.00 C ATOM 144 O GLU A 11 0.697 7.755 0.517 1.00 0.00 O ATOM 145 CB GLU A 11 -1.564 6.011 1.904 1.00 0.00 C ATOM 146 CG GLU A 11 -3.034 5.825 2.326 1.00 0.00 C ATOM 147 CD GLU A 11 -3.606 7.060 3.025 1.00 0.00 C ATOM 148 OE1 GLU A 11 -3.765 8.086 2.328 1.00 0.00 O ATOM 149 OE2 GLU A 11 -3.890 6.953 4.239 1.00 0.00 O ATOM 0 H GLU A 11 -2.431 4.852 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.846 7.584 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.056 5.048 1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.070 6.669 2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.635 5.599 1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.111 4.966 2.993 1.00 0.00 H new ATOM 156 N ASN A 12 0.682 5.788 -0.581 1.00 0.00 N ATOM 157 CA ASN A 12 2.029 5.881 -1.129 1.00 0.00 C ATOM 158 C ASN A 12 2.110 5.134 -2.457 1.00 0.00 C ATOM 159 O ASN A 12 2.472 5.720 -3.475 1.00 0.00 O ATOM 160 CB ASN A 12 3.055 5.285 -0.154 1.00 0.00 C ATOM 161 CG ASN A 12 4.448 5.324 -0.782 1.00 0.00 C ATOM 162 OD1 ASN A 12 4.816 4.446 -1.559 1.00 0.00 O ATOM 163 ND2 ASN A 12 5.254 6.316 -0.454 1.00 0.00 N ATOM 0 H ASN A 12 0.218 4.908 -0.805 1.00 0.00 H new ATOM 0 HA ASN A 12 2.257 6.935 -1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 12 3.051 5.846 0.780 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.785 4.258 0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.194 6.360 -0.847 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.937 7.039 0.192 1.00 0.00 H new ATOM 170 N GLY A 13 1.847 3.824 -2.410 1.00 0.00 N ATOM 171 CA GLY A 13 2.207 2.892 -3.457 1.00 0.00 C ATOM 172 C GLY A 13 2.941 1.686 -2.879 1.00 0.00 C ATOM 173 O GLY A 13 2.372 0.596 -2.848 1.00 0.00 O ATOM 0 H GLY A 13 1.369 3.384 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.310 2.561 -3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.839 3.390 -4.192 1.00 0.00 H new ATOM 177 N ALA A 14 4.203 1.864 -2.458 1.00 0.00 N ATOM 178 CA ALA A 14 5.107 0.752 -2.151 1.00 0.00 C ATOM 179 C ALA A 14 6.243 1.077 -1.159 1.00 0.00 C ATOM 180 O ALA A 14 7.186 0.291 -1.067 1.00 0.00 O ATOM 181 CB ALA A 14 5.695 0.223 -3.471 1.00 0.00 C ATOM 0 H ALA A 14 4.622 2.784 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 14 4.504 0.000 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.371 -0.606 -3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.887 -0.122 -4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.244 1.021 -3.971 1.00 0.00 H new ATOM 187 N GLU A 15 6.228 2.210 -0.442 1.00 0.00 N ATOM 188 CA GLU A 15 7.312 2.512 0.500 1.00 0.00 C ATOM 189 C GLU A 15 7.481 1.438 1.589 1.00 0.00 C ATOM 190 O GLU A 15 6.556 0.704 1.937 1.00 0.00 O ATOM 191 CB GLU A 15 7.182 3.915 1.115 1.00 0.00 C ATOM 192 CG GLU A 15 6.014 4.091 2.100 1.00 0.00 C ATOM 193 CD GLU A 15 6.029 5.490 2.727 1.00 0.00 C ATOM 194 OE1 GLU A 15 6.768 5.659 3.722 1.00 0.00 O ATOM 195 OE2 GLU A 15 5.327 6.379 2.188 1.00 0.00 O ATOM 0 H GLU A 15 5.495 2.917 -0.494 1.00 0.00 H new ATOM 0 HA GLU A 15 8.225 2.501 -0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.111 4.156 1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.069 4.639 0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.069 3.932 1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.078 3.337 2.884 1.00 0.00 H new ATOM 202 N GLY A 16 8.704 1.341 2.116 1.00 0.00 N ATOM 203 CA GLY A 16 9.128 0.413 3.155 1.00 0.00 C ATOM 204 C GLY A 16 9.627 -0.879 2.525 1.00 0.00 C ATOM 205 O GLY A 16 10.669 -1.399 2.910 1.00 0.00 O ATOM 0 H GLY A 16 9.466 1.945 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.918 0.863 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.297 0.202 3.828 1.00 0.00 H new ATOM 209 N MET A 17 8.924 -1.333 1.487 1.00 0.00 N ATOM 210 CA MET A 17 9.173 -2.536 0.723 1.00 0.00 C ATOM 211 C MET A 17 10.575 -2.548 0.116 1.00 0.00 C ATOM 212 O MET A 17 11.189 -3.601 -0.028 1.00 0.00 O ATOM 213 CB MET A 17 8.112 -2.579 -0.384 1.00 0.00 C ATOM 214 CG MET A 17 7.667 -4.014 -0.583 1.00 0.00 C ATOM 215 SD MET A 17 6.705 -4.357 -2.084 1.00 0.00 S ATOM 216 CE MET A 17 7.936 -4.005 -3.368 1.00 0.00 C ATOM 0 H MET A 17 8.109 -0.827 1.141 1.00 0.00 H new ATOM 0 HA MET A 17 9.114 -3.410 1.372 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.260 -1.954 -0.114 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.520 -2.179 -1.312 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.553 -4.649 -0.592 1.00 0.00 H new ATOM 0 HG3 MET A 17 7.071 -4.310 0.280 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.614 -4.447 -4.311 1.00 0.00 H new ATOM 0 HE2 MET A 17 8.038 -2.926 -3.488 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.897 -4.430 -3.077 1.00 0.00 H new ATOM 226 N ILE A 18 11.043 -1.354 -0.253 1.00 0.00 N ATOM 227 CA ILE A 18 12.356 -1.091 -0.832 1.00 0.00 C ATOM 228 C ILE A 18 13.478 -1.556 0.115 1.00 0.00 C ATOM 229 O ILE A 18 14.502 -2.036 -0.370 1.00 0.00 O ATOM 230 CB ILE A 18 12.477 0.420 -1.184 1.00 0.00 C ATOM 231 CG1 ILE A 18 11.610 0.845 -2.396 1.00 0.00 C ATOM 232 CG2 ILE A 18 13.923 0.838 -1.520 1.00 0.00 C ATOM 233 CD1 ILE A 18 10.094 0.823 -2.175 1.00 0.00 C ATOM 0 H ILE A 18 10.487 -0.505 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 18 12.466 -1.664 -1.753 1.00 0.00 H new ATOM 0 HB ILE A 18 12.126 0.917 -0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 18 11.900 1.854 -2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.845 0.189 -3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.948 1.901 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 18 14.567 0.642 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.277 0.266 -2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.589 1.138 -3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.779 -0.188 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.835 1.503 -1.363 1.00 0.00 H new ATOM 245 N ASP A 19 13.321 -1.376 1.435 1.00 0.00 N ATOM 246 CA ASP A 19 14.401 -1.565 2.405 1.00 0.00 C ATOM 247 C ASP A 19 13.837 -1.673 3.824 1.00 0.00 C ATOM 248 O ASP A 19 13.907 -2.733 4.445 1.00 0.00 O ATOM 249 CB ASP A 19 15.403 -0.397 2.299 1.00 0.00 C ATOM 250 CG ASP A 19 16.348 -0.338 3.501 1.00 0.00 C ATOM 251 OD1 ASP A 19 17.055 -1.340 3.739 1.00 0.00 O ATOM 252 OD2 ASP A 19 16.311 0.704 4.192 1.00 0.00 O ATOM 0 H ASP A 19 12.436 -1.094 1.858 1.00 0.00 H new ATOM 0 HA ASP A 19 14.922 -2.496 2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.987 -0.503 1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.857 0.543 2.222 1.00 0.00 H new ATOM 257 N GLY A 20 13.318 -0.565 4.365 1.00 0.00 N ATOM 258 CA GLY A 20 12.915 -0.452 5.762 1.00 0.00 C ATOM 259 C GLY A 20 14.131 -0.257 6.668 1.00 0.00 C ATOM 260 O GLY A 20 14.155 0.689 7.455 1.00 0.00 O ATOM 0 H GLY A 20 13.166 0.290 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 20 12.230 0.388 5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.373 -1.349 6.062 1.00 0.00 H new TER 264 GLY A 20