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+ -92:sc= 0.0973 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.168 K(o=-0.17,f=-8.3!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.886 -7.138 4.709 1.00 0.00 N ATOM 2 CA GLY A 1 -11.609 -6.575 3.553 1.00 0.00 C ATOM 3 C GLY A 1 -10.617 -6.061 2.519 1.00 0.00 C ATOM 4 O GLY A 1 -9.496 -5.723 2.893 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.740 -8.157 4.564 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.964 -6.666 4.805 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.444 -6.988 5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.249 -7.337 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.259 -5.764 3.880 1.00 0.00 H new ATOM 10 N LEU A 2 -11.026 -5.997 1.243 1.00 0.00 N ATOM 11 CA LEU A 2 -10.151 -5.725 0.093 1.00 0.00 C ATOM 12 C LEU A 2 -9.347 -4.425 0.202 1.00 0.00 C ATOM 13 O LEU A 2 -8.267 -4.334 -0.373 1.00 0.00 O ATOM 14 CB LEU A 2 -10.973 -5.769 -1.211 1.00 0.00 C ATOM 15 CG LEU A 2 -11.946 -4.579 -1.409 1.00 0.00 C ATOM 16 CD1 LEU A 2 -11.338 -3.467 -2.276 1.00 0.00 C ATOM 17 CD2 LEU A 2 -13.248 -5.054 -2.065 1.00 0.00 C ATOM 0 H LEU A 2 -12.000 -6.137 0.976 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.400 -6.515 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.285 -5.802 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.547 -6.696 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.146 -4.174 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -12.058 -2.656 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.434 -3.088 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.090 -3.867 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.920 -4.206 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.026 -5.495 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -13.725 -5.799 -1.429 1.00 0.00 H new ATOM 29 N PHE A 3 -9.821 -3.454 0.990 1.00 0.00 N ATOM 30 CA PHE A 3 -9.144 -2.191 1.256 1.00 0.00 C ATOM 31 C PHE A 3 -7.729 -2.447 1.758 1.00 0.00 C ATOM 32 O PHE A 3 -6.758 -1.886 1.262 1.00 0.00 O ATOM 33 CB PHE A 3 -9.935 -1.490 2.362 1.00 0.00 C ATOM 34 CG PHE A 3 -9.619 -0.015 2.520 1.00 0.00 C ATOM 35 CD1 PHE A 3 -10.054 0.909 1.549 1.00 0.00 C ATOM 36 CD2 PHE A 3 -8.857 0.434 3.617 1.00 0.00 C ATOM 37 CE1 PHE A 3 -9.716 2.269 1.667 1.00 0.00 C ATOM 38 CE2 PHE A 3 -8.526 1.795 3.737 1.00 0.00 C ATOM 39 CZ PHE A 3 -8.948 2.712 2.758 1.00 0.00 C ATOM 0 H PHE A 3 -10.716 -3.533 1.473 1.00 0.00 H new ATOM 0 HA PHE A 3 -9.089 -1.590 0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -11.000 -1.601 2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.739 -1.995 3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -10.648 0.572 0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -8.527 -0.269 4.367 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.047 2.974 0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -7.947 2.137 4.582 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.682 3.755 2.844 1.00 0.00 H new ATOM 49 N GLY A 4 -7.648 -3.372 2.710 1.00 0.00 N ATOM 50 CA GLY A 4 -6.417 -3.820 3.346 1.00 0.00 C ATOM 51 C GLY A 4 -5.441 -4.530 2.401 1.00 0.00 C ATOM 52 O GLY A 4 -4.299 -4.742 2.796 1.00 0.00 O ATOM 0 H GLY A 4 -8.474 -3.848 3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.916 -2.959 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.669 -4.495 4.164 1.00 0.00 H new ATOM 56 N ALA A 5 -5.858 -4.894 1.178 1.00 0.00 N ATOM 57 CA ALA A 5 -4.953 -5.406 0.149 1.00 0.00 C ATOM 58 C ALA A 5 -4.402 -4.288 -0.748 1.00 0.00 C ATOM 59 O ALA A 5 -3.401 -4.503 -1.429 1.00 0.00 O ATOM 60 CB ALA A 5 -5.678 -6.456 -0.702 1.00 0.00 C ATOM 0 H ALA A 5 -6.832 -4.840 0.880 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.102 -5.863 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.001 -6.835 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.003 -7.279 -0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.546 -6.001 -1.179 1.00 0.00 H new ATOM 66 N ILE A 6 -5.047 -3.114 -0.765 1.00 0.00 N ATOM 67 CA ILE A 6 -4.627 -1.922 -1.486 1.00 0.00 C ATOM 68 C ILE A 6 -4.309 -0.794 -0.510 1.00 0.00 C ATOM 69 O ILE A 6 -3.251 -0.839 0.108 1.00 0.00 O ATOM 70 CB ILE A 6 -5.582 -1.555 -2.638 1.00 0.00 C ATOM 71 CG1 ILE A 6 -7.035 -1.856 -2.278 1.00 0.00 C ATOM 72 CG2 ILE A 6 -5.155 -2.333 -3.877 1.00 0.00 C ATOM 73 CD1 ILE A 6 -8.065 -1.170 -3.182 1.00 0.00 C ATOM 0 H ILE A 6 -5.916 -2.971 -0.250 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.692 -2.134 -2.004 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.524 -0.484 -2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.192 -2.934 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.212 -1.549 -1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.818 -2.088 -4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.131 -2.066 -4.140 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.209 -3.402 -3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.070 -1.438 -2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.940 -0.089 -3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.919 -1.495 -4.212 1.00 0.00 H new ATOM 85 N ALA A 7 -5.202 0.198 -0.405 1.00 0.00 N ATOM 86 CA ALA A 7 -5.133 1.464 0.311 1.00 0.00 C ATOM 87 C ALA A 7 -3.726 2.060 0.424 1.00 0.00 C ATOM 88 O ALA A 7 -3.376 2.908 -0.396 1.00 0.00 O ATOM 89 CB ALA A 7 -5.842 1.317 1.661 1.00 0.00 C ATOM 0 H ALA A 7 -6.099 0.114 -0.882 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.660 2.208 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.794 2.262 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.885 1.046 1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.353 0.538 2.246 1.00 0.00 H new ATOM 95 N GLY A 8 -2.897 1.585 1.363 1.00 0.00 N ATOM 96 CA GLY A 8 -1.468 1.878 1.451 1.00 0.00 C ATOM 97 C GLY A 8 -0.734 1.748 0.110 1.00 0.00 C ATOM 98 O GLY A 8 0.219 2.486 -0.132 1.00 0.00 O ATOM 0 H GLY A 8 -3.218 0.965 2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.335 2.890 1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.010 1.203 2.174 1.00 0.00 H new ATOM 102 N PHE A 9 -1.194 0.867 -0.790 1.00 0.00 N ATOM 103 CA PHE A 9 -0.661 0.714 -2.142 1.00 0.00 C ATOM 104 C PHE A 9 -0.839 1.957 -3.028 1.00 0.00 C ATOM 105 O PHE A 9 -0.189 2.079 -4.063 1.00 0.00 O ATOM 106 CB PHE A 9 -1.341 -0.483 -2.811 1.00 0.00 C ATOM 107 CG PHE A 9 -0.558 -1.016 -3.991 1.00 0.00 C ATOM 108 CD1 PHE A 9 0.655 -1.693 -3.769 1.00 0.00 C ATOM 109 CD2 PHE A 9 -0.999 -0.777 -5.305 1.00 0.00 C ATOM 110 CE1 PHE A 9 1.426 -2.133 -4.858 1.00 0.00 C ATOM 111 CE2 PHE A 9 -0.228 -1.219 -6.394 1.00 0.00 C ATOM 112 CZ PHE A 9 0.983 -1.899 -6.172 1.00 0.00 C ATOM 0 H PHE A 9 -1.964 0.229 -0.589 1.00 0.00 H new ATOM 0 HA PHE A 9 0.413 0.561 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.471 -1.279 -2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.337 -0.191 -3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.994 -1.875 -2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.929 -0.255 -5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.358 -2.651 -4.686 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.566 -1.036 -7.403 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.572 -2.241 -7.010 1.00 0.00 H new ATOM 122 N ILE A 10 -1.729 2.871 -2.642 1.00 0.00 N ATOM 123 CA ILE A 10 -2.081 4.083 -3.367 1.00 0.00 C ATOM 124 C ILE A 10 -1.733 5.296 -2.500 1.00 0.00 C ATOM 125 O ILE A 10 -1.205 6.285 -3.003 1.00 0.00 O ATOM 126 CB ILE A 10 -3.580 4.009 -3.740 1.00 0.00 C ATOM 127 CG1 ILE A 10 -3.874 2.820 -4.688 1.00 0.00 C ATOM 128 CG2 ILE A 10 -4.048 5.297 -4.428 1.00 0.00 C ATOM 129 CD1 ILE A 10 -4.591 1.687 -3.958 1.00 0.00 C ATOM 0 H ILE A 10 -2.249 2.777 -1.769 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.517 4.183 -4.295 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.122 3.872 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.486 3.161 -5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.939 2.449 -5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.106 5.213 -4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.900 6.143 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.472 5.452 -5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.782 0.869 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.967 1.329 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.537 2.052 -3.559 1.00 0.00 H new ATOM 141 N GLU A 11 -1.988 5.203 -1.192 1.00 0.00 N ATOM 142 CA GLU A 11 -1.651 6.214 -0.197 1.00 0.00 C ATOM 143 C GLU A 11 -0.129 6.335 -0.006 1.00 0.00 C ATOM 144 O GLU A 11 0.335 7.376 0.455 1.00 0.00 O ATOM 145 CB GLU A 11 -2.362 5.846 1.117 1.00 0.00 C ATOM 146 CG GLU A 11 -3.898 5.990 1.021 1.00 0.00 C ATOM 147 CD GLU A 11 -4.689 5.014 1.907 1.00 0.00 C ATOM 148 OE1 GLU A 11 -4.126 4.502 2.900 1.00 0.00 O ATOM 149 OE2 GLU A 11 -5.869 4.774 1.563 1.00 0.00 O ATOM 0 H GLU A 11 -2.452 4.390 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.990 7.193 -0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.113 4.819 1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.990 6.484 1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.172 7.010 1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.199 5.844 -0.016 1.00 0.00 H new ATOM 156 N ASN A 12 0.653 5.320 -0.407 1.00 0.00 N ATOM 157 CA ASN A 12 2.104 5.386 -0.527 1.00 0.00 C ATOM 158 C ASN A 12 2.547 4.654 -1.788 1.00 0.00 C ATOM 159 O ASN A 12 3.183 5.243 -2.659 1.00 0.00 O ATOM 160 CB ASN A 12 2.793 4.754 0.694 1.00 0.00 C ATOM 161 CG ASN A 12 4.308 4.792 0.492 1.00 0.00 C ATOM 162 OD1 ASN A 12 4.881 3.925 -0.166 1.00 0.00 O ATOM 163 ND2 ASN A 12 4.981 5.783 1.046 1.00 0.00 N ATOM 0 H ASN A 12 0.275 4.408 -0.662 1.00 0.00 H new ATOM 0 HA ASN A 12 2.392 6.436 -0.582 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.521 5.295 1.600 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.457 3.725 0.824 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.993 5.839 0.932 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.489 6.493 1.588 1.00 0.00 H new ATOM 170 N GLY A 13 2.262 3.349 -1.834 1.00 0.00 N ATOM 171 CA GLY A 13 2.903 2.407 -2.723 1.00 0.00 C ATOM 172 C GLY A 13 3.393 1.194 -1.938 1.00 0.00 C ATOM 173 O GLY A 13 2.773 0.136 -2.021 1.00 0.00 O ATOM 0 H GLY A 13 1.559 2.919 -1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.203 2.091 -3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.742 2.885 -3.229 1.00 0.00 H new ATOM 177 N ALA A 14 4.507 1.321 -1.201 1.00 0.00 N ATOM 178 CA ALA A 14 5.173 0.168 -0.587 1.00 0.00 C ATOM 179 C ALA A 14 6.160 0.519 0.546 1.00 0.00 C ATOM 180 O ALA A 14 7.056 -0.285 0.805 1.00 0.00 O ATOM 181 CB ALA A 14 5.877 -0.648 -1.692 1.00 0.00 C ATOM 0 H ALA A 14 4.964 2.214 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 14 4.395 -0.421 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.376 -1.509 -1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.139 -0.991 -2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.614 -0.021 -2.194 1.00 0.00 H new ATOM 187 N GLU A 15 6.076 1.698 1.184 1.00 0.00 N ATOM 188 CA GLU A 15 7.051 2.153 2.188 1.00 0.00 C ATOM 189 C GLU A 15 7.486 1.049 3.165 1.00 0.00 C ATOM 190 O GLU A 15 6.670 0.370 3.788 1.00 0.00 O ATOM 191 CB GLU A 15 6.604 3.429 2.920 1.00 0.00 C ATOM 192 CG GLU A 15 5.200 3.394 3.555 1.00 0.00 C ATOM 193 CD GLU A 15 4.874 4.708 4.281 1.00 0.00 C ATOM 194 OE1 GLU A 15 4.352 5.630 3.606 1.00 0.00 O ATOM 195 OE2 GLU A 15 5.155 4.783 5.497 1.00 0.00 O ATOM 0 H GLU A 15 5.324 2.367 1.016 1.00 0.00 H new ATOM 0 HA GLU A 15 7.942 2.415 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.329 3.646 3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.640 4.259 2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.455 3.211 2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.139 2.564 4.259 1.00 0.00 H new ATOM 202 N GLY A 16 8.803 0.846 3.222 1.00 0.00 N ATOM 203 CA GLY A 16 9.500 -0.240 3.883 1.00 0.00 C ATOM 204 C GLY A 16 10.211 -1.107 2.855 1.00 0.00 C ATOM 205 O GLY A 16 11.399 -1.398 2.991 1.00 0.00 O ATOM 0 H GLY A 16 9.453 1.490 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.222 0.161 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.793 -0.843 4.452 1.00 0.00 H new ATOM 209 N MET A 17 9.487 -1.500 1.806 1.00 0.00 N ATOM 210 CA MET A 17 9.959 -2.335 0.725 1.00 0.00 C ATOM 211 C MET A 17 10.947 -1.578 -0.158 1.00 0.00 C ATOM 212 O MET A 17 11.865 -2.184 -0.704 1.00 0.00 O ATOM 213 CB MET A 17 8.738 -2.797 -0.078 1.00 0.00 C ATOM 214 CG MET A 17 8.743 -4.311 -0.192 1.00 0.00 C ATOM 215 SD MET A 17 7.580 -4.986 -1.406 1.00 0.00 S ATOM 216 CE MET A 17 7.812 -6.755 -1.088 1.00 0.00 C ATOM 0 H MET A 17 8.511 -1.226 1.691 1.00 0.00 H new ATOM 0 HA MET A 17 10.491 -3.199 1.122 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.822 -2.462 0.410 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.753 -2.348 -1.071 1.00 0.00 H new ATOM 0 HG2 MET A 17 9.749 -4.638 -0.453 1.00 0.00 H new ATOM 0 HG3 MET A 17 8.513 -4.736 0.785 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.168 -7.332 -1.752 1.00 0.00 H new ATOM 0 HE2 MET A 17 8.853 -7.024 -1.268 1.00 0.00 H new ATOM 0 HE3 MET A 17 7.555 -6.975 -0.052 1.00 0.00 H new ATOM 226 N ILE A 18 10.731 -0.266 -0.312 1.00 0.00 N ATOM 227 CA ILE A 18 11.693 0.612 -0.982 1.00 0.00 C ATOM 228 C ILE A 18 12.922 0.733 -0.075 1.00 0.00 C ATOM 229 O ILE A 18 14.056 0.564 -0.514 1.00 0.00 O ATOM 230 CB ILE A 18 11.093 2.014 -1.274 1.00 0.00 C ATOM 231 CG1 ILE A 18 9.800 1.988 -2.123 1.00 0.00 C ATOM 232 CG2 ILE A 18 12.123 2.897 -2.005 1.00 0.00 C ATOM 233 CD1 ILE A 18 8.544 2.047 -1.256 1.00 0.00 C ATOM 0 H ILE A 18 9.893 0.211 0.021 1.00 0.00 H new ATOM 0 HA ILE A 18 11.963 0.183 -1.947 1.00 0.00 H new ATOM 0 HB ILE A 18 10.836 2.420 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.803 2.831 -2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.781 1.081 -2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.687 3.876 -2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.010 3.013 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.401 2.427 -2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.660 2.026 -1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.526 1.190 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.548 2.967 -0.672 1.00 0.00 H new ATOM 245 N ASP A 19 12.663 1.075 1.188 1.00 0.00 N ATOM 246 CA ASP A 19 13.612 1.554 2.178 1.00 0.00 C ATOM 247 C ASP A 19 14.637 0.480 2.543 1.00 0.00 C ATOM 248 O ASP A 19 15.810 0.800 2.731 1.00 0.00 O ATOM 249 CB ASP A 19 12.828 2.022 3.420 1.00 0.00 C ATOM 250 CG ASP A 19 11.707 3.011 3.070 1.00 0.00 C ATOM 251 OD1 ASP A 19 10.738 2.558 2.405 1.00 0.00 O ATOM 252 OD2 ASP A 19 11.833 4.193 3.452 1.00 0.00 O ATOM 0 H ASP A 19 11.717 1.018 1.566 1.00 0.00 H new ATOM 0 HA ASP A 19 14.175 2.389 1.762 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.399 1.155 3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.515 2.491 4.124 1.00 0.00 H new ATOM 257 N GLY A 20 14.207 -0.786 2.641 1.00 0.00 N ATOM 258 CA GLY A 20 15.050 -1.975 2.765 1.00 0.00 C ATOM 259 C GLY A 20 15.736 -2.141 4.126 1.00 0.00 C ATOM 260 O GLY A 20 15.877 -3.266 4.606 1.00 0.00 O ATOM 0 H GLY A 20 13.213 -1.015 2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.439 -2.857 2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.816 -1.942 1.990 1.00 0.00 H new TER 264 GLY A 20