USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 133 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 VAL N :NH3+ 142:sc= -0.388 (180deg=-0.583) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 103:sc= -0.214 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.434 3.746 -2.871 1.00 42.12 N ATOM 2 CA VAL A 1 6.244 3.717 -4.317 1.00 23.45 C ATOM 3 C VAL A 1 4.799 3.391 -4.674 1.00 75.23 C ATOM 4 O VAL A 1 4.110 2.684 -3.938 1.00 43.52 O ATOM 5 CB VAL A 1 7.172 2.684 -4.983 1.00 72.45 C ATOM 6 CG1 VAL A 1 8.622 3.132 -4.895 1.00 5.42 C ATOM 7 CG2 VAL A 1 6.989 1.314 -4.346 1.00 50.35 C ATOM 0 H1 VAL A 1 7.360 3.336 -2.634 1.00 42.12 H new ATOM 0 H2 VAL A 1 6.395 4.730 -2.535 1.00 42.12 H new ATOM 0 H3 VAL A 1 5.683 3.193 -2.411 1.00 42.12 H new ATOM 0 HA VAL A 1 6.492 4.711 -4.690 1.00 23.45 H new ATOM 0 HB VAL A 1 6.904 2.608 -6.037 1.00 72.45 H new ATOM 0 HG11 VAL A 1 9.262 2.389 -5.371 1.00 5.42 H new ATOM 0 HG12 VAL A 1 8.738 4.090 -5.402 1.00 5.42 H new ATOM 0 HG13 VAL A 1 8.907 3.239 -3.848 1.00 5.42 H new ATOM 0 HG21 VAL A 1 7.652 0.597 -4.829 1.00 50.35 H new ATOM 0 HG22 VAL A 1 7.228 1.372 -3.284 1.00 50.35 H new ATOM 0 HG23 VAL A 1 5.955 0.991 -4.468 1.00 50.35 H new ATOM 17 N ALA A 2 4.344 3.910 -5.810 1.00 43.50 N ATOM 18 CA ALA A 2 2.981 3.673 -6.267 1.00 72.13 C ATOM 19 C ALA A 2 2.790 2.222 -6.695 1.00 22.31 C ATOM 20 O ALA A 2 2.957 1.883 -7.867 1.00 23.14 O ATOM 21 CB ALA A 2 2.637 4.612 -7.414 1.00 5.42 C ATOM 0 H ALA A 2 4.900 4.498 -6.431 1.00 43.50 H new ATOM 0 HA ALA A 2 2.306 3.872 -5.434 1.00 72.13 H new ATOM 0 HB1 ALA A 2 1.616 4.423 -7.745 1.00 5.42 H new ATOM 0 HB2 ALA A 2 2.724 5.645 -7.077 1.00 5.42 H new ATOM 0 HB3 ALA A 2 3.324 4.441 -8.243 1.00 5.42 H new ATOM 27 N ARG A 3 2.440 1.369 -5.738 1.00 24.34 N ATOM 28 CA ARG A 3 2.229 -0.047 -6.015 1.00 41.15 C ATOM 29 C ARG A 3 0.941 -0.259 -6.806 1.00 64.50 C ATOM 30 O ARG A 3 0.975 -0.519 -8.008 1.00 54.01 O ATOM 31 CB ARG A 3 2.176 -0.842 -4.710 1.00 32.32 C ATOM 32 CG ARG A 3 1.779 -2.297 -4.899 1.00 31.31 C ATOM 33 CD ARG A 3 2.566 -3.214 -3.975 1.00 53.12 C ATOM 34 NE ARG A 3 2.279 -4.623 -4.229 1.00 21.35 N ATOM 35 CZ ARG A 3 2.629 -5.604 -3.404 1.00 65.22 C ATOM 36 NH1 ARG A 3 3.276 -5.330 -2.279 1.00 72.34 N ATOM 37 NH2 ARG A 3 2.333 -6.862 -3.704 1.00 71.32 N ATOM 0 H ARG A 3 2.296 1.634 -4.763 1.00 24.34 H new ATOM 0 HA ARG A 3 3.067 -0.403 -6.615 1.00 41.15 H new ATOM 0 HB2 ARG A 3 3.153 -0.800 -4.229 1.00 32.32 H new ATOM 0 HB3 ARG A 3 1.467 -0.366 -4.033 1.00 32.32 H new ATOM 0 HG2 ARG A 3 0.712 -2.412 -4.706 1.00 31.31 H new ATOM 0 HG3 ARG A 3 1.949 -2.590 -5.935 1.00 31.31 H new ATOM 0 HD2 ARG A 3 3.633 -3.032 -4.106 1.00 53.12 H new ATOM 0 HD3 ARG A 3 2.327 -2.976 -2.938 1.00 53.12 H new ATOM 0 HE ARG A 3 1.783 -4.867 -5.086 1.00 21.35 H new ATOM 0 HH11 ARG A 3 3.506 -4.364 -2.045 1.00 72.34 H new ATOM 0 HH12 ARG A 3 3.543 -6.085 -1.648 1.00 72.34 H new ATOM 0 HH21 ARG A 3 1.836 -7.077 -4.569 1.00 71.32 H new ATOM 0 HH22 ARG A 3 2.602 -7.614 -3.070 1.00 71.32 H new ATOM 51 N GLY A 4 -0.193 -0.148 -6.121 1.00 41.12 N ATOM 52 CA GLY A 4 -1.475 -0.332 -6.775 1.00 53.51 C ATOM 53 C GLY A 4 -2.283 0.950 -6.837 1.00 33.51 C ATOM 54 O GLY A 4 -3.433 0.988 -6.398 1.00 23.21 O ATOM 0 H GLY A 4 -0.247 0.066 -5.125 1.00 41.12 H new ATOM 0 HA2 GLY A 4 -1.313 -0.705 -7.786 1.00 53.51 H new ATOM 0 HA3 GLY A 4 -2.046 -1.092 -6.242 1.00 53.51 H new ATOM 58 N TRP A 5 -1.681 2.001 -7.381 1.00 74.33 N ATOM 59 CA TRP A 5 -2.353 3.290 -7.497 1.00 3.40 C ATOM 60 C TRP A 5 -2.891 3.499 -8.908 1.00 52.10 C ATOM 61 O TRP A 5 -3.335 4.593 -9.259 1.00 32.33 O ATOM 62 CB TRP A 5 -1.392 4.423 -7.132 1.00 1.12 C ATOM 63 CG TRP A 5 -1.438 4.796 -5.681 1.00 3.31 C ATOM 64 CD1 TRP A 5 -0.837 4.138 -4.646 1.00 31.00 C ATOM 65 CD2 TRP A 5 -2.122 5.914 -5.105 1.00 34.13 C ATOM 66 NE1 TRP A 5 -1.107 4.779 -3.461 1.00 53.10 N ATOM 67 CE2 TRP A 5 -1.893 5.872 -3.715 1.00 70.15 C ATOM 68 CE3 TRP A 5 -2.905 6.947 -5.627 1.00 40.11 C ATOM 69 CZ2 TRP A 5 -2.420 6.823 -2.845 1.00 62.43 C ATOM 70 CZ3 TRP A 5 -3.427 7.890 -4.762 1.00 73.31 C ATOM 71 CH2 TRP A 5 -3.182 7.823 -3.384 1.00 34.00 C ATOM 0 H TRP A 5 -0.730 1.986 -7.748 1.00 74.33 H new ATOM 0 HA TRP A 5 -3.194 3.297 -6.803 1.00 3.40 H new ATOM 0 HB2 TRP A 5 -0.376 4.126 -7.391 1.00 1.12 H new ATOM 0 HB3 TRP A 5 -1.631 5.300 -7.733 1.00 1.12 H new ATOM 0 HD1 TRP A 5 -0.238 3.245 -4.745 1.00 31.00 H new ATOM 0 HE1 TRP A 5 -0.776 4.488 -2.541 1.00 53.10 H new ATOM 0 HE3 TRP A 5 -3.099 7.007 -6.688 1.00 40.11 H new ATOM 0 HZ2 TRP A 5 -2.234 6.773 -1.782 1.00 62.43 H new ATOM 0 HZ3 TRP A 5 -4.034 8.692 -5.155 1.00 73.31 H new ATOM 0 HH2 TRP A 5 -3.603 8.576 -2.734 1.00 34.00 H new ATOM 82 N LYS A 6 -2.850 2.444 -9.715 1.00 3.14 N ATOM 83 CA LYS A 6 -3.335 2.511 -11.088 1.00 20.31 C ATOM 84 C LYS A 6 -4.545 1.603 -11.282 1.00 15.11 C ATOM 85 O LYS A 6 -4.875 1.224 -12.406 1.00 21.12 O ATOM 86 CB LYS A 6 -2.224 2.113 -12.063 1.00 35.21 C ATOM 87 CG LYS A 6 -1.762 0.675 -11.904 1.00 22.12 C ATOM 88 CD LYS A 6 -0.397 0.598 -11.240 1.00 12.41 C ATOM 89 CE LYS A 6 0.376 -0.630 -11.695 1.00 41.43 C ATOM 90 NZ LYS A 6 1.841 -0.370 -11.760 1.00 61.02 N ATOM 0 H LYS A 6 -2.485 1.532 -9.441 1.00 3.14 H new ATOM 0 HA LYS A 6 -3.637 3.538 -11.291 1.00 20.31 H new ATOM 0 HB2 LYS A 6 -2.577 2.262 -13.083 1.00 35.21 H new ATOM 0 HB3 LYS A 6 -1.372 2.778 -11.921 1.00 35.21 H new ATOM 0 HG2 LYS A 6 -2.489 0.122 -11.309 1.00 22.12 H new ATOM 0 HG3 LYS A 6 -1.720 0.195 -12.882 1.00 22.12 H new ATOM 0 HD2 LYS A 6 0.174 1.496 -11.475 1.00 12.41 H new ATOM 0 HD3 LYS A 6 -0.519 0.572 -10.157 1.00 12.41 H new ATOM 0 HE2 LYS A 6 0.184 -1.455 -11.009 1.00 41.43 H new ATOM 0 HE3 LYS A 6 0.018 -0.941 -12.676 1.00 41.43 H new ATOM 0 HZ1 LYS A 6 2.333 -1.231 -12.074 1.00 61.02 H new ATOM 0 HZ2 LYS A 6 2.027 0.400 -12.433 1.00 61.02 H new ATOM 0 HZ3 LYS A 6 2.187 -0.098 -10.818 1.00 61.02 H new ATOM 104 N ARG A 7 -5.205 1.260 -10.180 1.00 64.11 N ATOM 105 CA ARG A 7 -6.379 0.397 -10.230 1.00 2.23 C ATOM 106 C ARG A 7 -7.601 1.108 -9.656 1.00 4.45 C ATOM 107 O ARG A 7 -8.458 1.590 -10.397 1.00 20.53 O ATOM 108 CB ARG A 7 -6.120 -0.898 -9.458 1.00 4.23 C ATOM 109 CG ARG A 7 -5.450 -1.979 -10.290 1.00 22.23 C ATOM 110 CD ARG A 7 -4.060 -2.305 -9.765 1.00 72.20 C ATOM 111 NE ARG A 7 -3.449 -3.417 -10.489 1.00 4.43 N ATOM 112 CZ ARG A 7 -3.724 -4.693 -10.244 1.00 50.13 C ATOM 113 NH1 ARG A 7 -4.597 -5.017 -9.300 1.00 65.32 N ATOM 114 NH2 ARG A 7 -3.126 -5.648 -10.946 1.00 15.24 N ATOM 0 H ARG A 7 -4.946 1.567 -9.242 1.00 64.11 H new ATOM 0 HA ARG A 7 -6.577 0.156 -11.274 1.00 2.23 H new ATOM 0 HB2 ARG A 7 -5.494 -0.677 -8.593 1.00 4.23 H new ATOM 0 HB3 ARG A 7 -7.067 -1.279 -9.077 1.00 4.23 H new ATOM 0 HG2 ARG A 7 -6.064 -2.880 -10.281 1.00 22.23 H new ATOM 0 HG3 ARG A 7 -5.381 -1.651 -11.327 1.00 22.23 H new ATOM 0 HD2 ARG A 7 -3.424 -1.424 -9.850 1.00 72.20 H new ATOM 0 HD3 ARG A 7 -4.121 -2.552 -8.705 1.00 72.20 H new ATOM 0 HE ARG A 7 -2.774 -3.202 -11.223 1.00 4.43 H new ATOM 0 HH11 ARG A 7 -5.059 -4.285 -8.760 1.00 65.32 H new ATOM 0 HH12 ARG A 7 -4.806 -5.998 -9.114 1.00 65.32 H new ATOM 0 HH21 ARG A 7 -2.455 -5.402 -11.674 1.00 15.24 H new ATOM 0 HH22 ARG A 7 -3.337 -6.628 -10.758 1.00 15.24 H new ATOM 128 N LYS A 8 -7.674 1.171 -8.330 1.00 60.43 N ATOM 129 CA LYS A 8 -8.789 1.823 -7.655 1.00 55.11 C ATOM 130 C LYS A 8 -8.391 3.210 -7.162 1.00 4.24 C ATOM 131 O LYS A 8 -9.117 3.837 -6.389 1.00 62.01 O ATOM 132 CB LYS A 8 -9.270 0.970 -6.479 1.00 3.13 C ATOM 133 CG LYS A 8 -8.189 0.692 -5.448 1.00 13.21 C ATOM 134 CD LYS A 8 -8.421 1.482 -4.170 1.00 71.45 C ATOM 135 CE LYS A 8 -9.232 0.683 -3.161 1.00 54.44 C ATOM 136 NZ LYS A 8 -9.216 1.315 -1.813 1.00 31.32 N ATOM 0 H LYS A 8 -6.973 0.778 -7.702 1.00 60.43 H new ATOM 0 HA LYS A 8 -9.602 1.932 -8.373 1.00 55.11 H new ATOM 0 HB2 LYS A 8 -10.104 1.475 -5.992 1.00 3.13 H new ATOM 0 HB3 LYS A 8 -9.650 0.022 -6.860 1.00 3.13 H new ATOM 0 HG2 LYS A 8 -8.168 -0.374 -5.219 1.00 13.21 H new ATOM 0 HG3 LYS A 8 -7.214 0.948 -5.863 1.00 13.21 H new ATOM 0 HD2 LYS A 8 -7.462 1.757 -3.732 1.00 71.45 H new ATOM 0 HD3 LYS A 8 -8.942 2.410 -4.404 1.00 71.45 H new ATOM 0 HE2 LYS A 8 -10.261 0.596 -3.509 1.00 54.44 H new ATOM 0 HE3 LYS A 8 -8.832 -0.329 -3.093 1.00 54.44 H new ATOM 0 HZ1 LYS A 8 -9.779 0.741 -1.154 1.00 31.32 H new ATOM 0 HZ2 LYS A 8 -8.236 1.375 -1.469 1.00 31.32 H new ATOM 0 HZ3 LYS A 8 -9.621 2.271 -1.873 1.00 31.32 H new ATOM 150 N CYS A 9 -7.235 3.684 -7.613 1.00 63.21 N ATOM 151 CA CYS A 9 -6.740 4.998 -7.218 1.00 20.24 C ATOM 152 C CYS A 9 -6.544 5.894 -8.436 1.00 12.32 C ATOM 153 O CYS A 9 -5.434 6.062 -8.942 1.00 15.33 O ATOM 154 CB CYS A 9 -5.423 4.861 -6.453 1.00 65.21 C ATOM 155 SG CYS A 9 -5.439 3.580 -5.177 1.00 71.43 S ATOM 0 H CYS A 9 -6.623 3.178 -8.253 1.00 63.21 H new ATOM 0 HA CYS A 9 -7.483 5.458 -6.567 1.00 20.24 H new ATOM 0 HB2 CYS A 9 -4.625 4.642 -7.162 1.00 65.21 H new ATOM 0 HB3 CYS A 9 -5.184 5.818 -5.989 1.00 65.21 H new ATOM 0 HG CYS A 9 -4.799 2.533 -5.606 1.00 71.43 H new ATOM 161 N PRO A 10 -7.647 6.483 -8.921 1.00 14.55 N ATOM 162 CA PRO A 10 -7.623 7.372 -10.086 1.00 71.02 C ATOM 163 C PRO A 10 -6.927 8.696 -9.791 1.00 42.25 C ATOM 164 O PRO A 10 -6.696 9.502 -10.694 1.00 5.12 O ATOM 165 CB PRO A 10 -9.106 7.603 -10.387 1.00 51.10 C ATOM 166 CG PRO A 10 -9.795 7.387 -9.084 1.00 31.20 C ATOM 167 CD PRO A 10 -9.003 6.328 -8.368 1.00 13.14 C ATOM 0 HA PRO A 10 -7.068 6.938 -10.918 1.00 71.02 H new ATOM 0 HB2 PRO A 10 -9.281 8.610 -10.765 1.00 51.10 H new ATOM 0 HB3 PRO A 10 -9.469 6.910 -11.146 1.00 51.10 H new ATOM 0 HG2 PRO A 10 -9.829 8.309 -8.503 1.00 31.20 H new ATOM 0 HG3 PRO A 10 -10.826 7.068 -9.236 1.00 31.20 H new ATOM 0 HD2 PRO A 10 -9.016 6.478 -7.288 1.00 13.14 H new ATOM 0 HD3 PRO A 10 -9.402 5.331 -8.557 1.00 13.14 H new ATOM 175 N LEU A 11 -6.594 8.915 -8.524 1.00 73.01 N ATOM 176 CA LEU A 11 -5.923 10.142 -8.110 1.00 50.32 C ATOM 177 C LEU A 11 -4.555 10.265 -8.773 1.00 24.42 C ATOM 178 O LEU A 11 -4.199 11.321 -9.296 1.00 25.23 O ATOM 179 CB LEU A 11 -5.770 10.175 -6.588 1.00 53.15 C ATOM 180 CG LEU A 11 -6.938 10.783 -5.810 1.00 24.43 C ATOM 181 CD1 LEU A 11 -7.445 9.806 -4.760 1.00 61.12 C ATOM 182 CD2 LEU A 11 -6.521 12.095 -5.162 1.00 50.22 C ATOM 0 H LEU A 11 -6.778 8.259 -7.765 1.00 73.01 H new ATOM 0 HA LEU A 11 -6.536 10.986 -8.425 1.00 50.32 H new ATOM 0 HB2 LEU A 11 -5.617 9.155 -6.236 1.00 53.15 H new ATOM 0 HB3 LEU A 11 -4.867 10.735 -6.345 1.00 53.15 H new ATOM 0 HG LEU A 11 -7.749 10.987 -6.509 1.00 24.43 H new ATOM 0 HD11 LEU A 11 -8.276 10.255 -4.216 1.00 61.12 H new ATOM 0 HD12 LEU A 11 -7.782 8.891 -5.247 1.00 61.12 H new ATOM 0 HD13 LEU A 11 -6.640 9.571 -4.063 1.00 61.12 H new ATOM 0 HD21 LEU A 11 -7.364 12.514 -4.613 1.00 50.22 H new ATOM 0 HD22 LEU A 11 -5.694 11.915 -4.475 1.00 50.22 H new ATOM 0 HD23 LEU A 11 -6.206 12.798 -5.933 1.00 50.22 H new ATOM 194 N PHE A 12 -3.792 9.177 -8.749 1.00 20.42 N ATOM 195 CA PHE A 12 -2.463 9.161 -9.348 1.00 43.33 C ATOM 196 C PHE A 12 -2.375 8.108 -10.449 1.00 44.21 C ATOM 197 O PHE A 12 -1.318 7.522 -10.679 1.00 62.03 O ATOM 198 CB PHE A 12 -1.401 8.889 -8.280 1.00 75.03 C ATOM 199 CG PHE A 12 -1.164 10.053 -7.361 1.00 63.21 C ATOM 200 CD1 PHE A 12 -2.135 10.446 -6.454 1.00 42.13 C ATOM 201 CD2 PHE A 12 0.031 10.753 -7.403 1.00 40.24 C ATOM 202 CE1 PHE A 12 -1.919 11.517 -5.608 1.00 43.20 C ATOM 203 CE2 PHE A 12 0.253 11.825 -6.559 1.00 70.01 C ATOM 204 CZ PHE A 12 -0.723 12.207 -5.660 1.00 20.44 C ATOM 0 H PHE A 12 -4.072 8.295 -8.321 1.00 20.42 H new ATOM 0 HA PHE A 12 -2.280 10.140 -9.791 1.00 43.33 H new ATOM 0 HB2 PHE A 12 -1.705 8.025 -7.689 1.00 75.03 H new ATOM 0 HB3 PHE A 12 -0.463 8.626 -8.770 1.00 75.03 H new ATOM 0 HD1 PHE A 12 -3.071 9.909 -6.408 1.00 42.13 H new ATOM 0 HD2 PHE A 12 0.798 10.458 -8.103 1.00 40.24 H new ATOM 0 HE1 PHE A 12 -2.684 11.815 -4.907 1.00 43.20 H new ATOM 0 HE2 PHE A 12 1.188 12.363 -6.603 1.00 70.01 H new ATOM 0 HZ PHE A 12 -0.552 13.044 -4.999 1.00 20.44 H new ATOM 214 N GLY A 13 -3.495 7.873 -11.126 1.00 45.33 N ATOM 215 CA GLY A 13 -3.523 6.891 -12.194 1.00 74.11 C ATOM 216 C GLY A 13 -2.866 7.395 -13.463 1.00 62.35 C ATOM 217 O GLY A 13 -2.482 6.607 -14.328 1.00 62.21 O ATOM 0 H GLY A 13 -4.383 8.345 -10.954 1.00 45.33 H new ATOM 0 HA2 GLY A 13 -3.018 5.984 -11.863 1.00 74.11 H new ATOM 0 HA3 GLY A 13 -4.557 6.620 -12.407 1.00 74.11 H new ATOM 221 N LYS A 14 -2.737 8.712 -13.578 1.00 45.21 N ATOM 222 CA LYS A 14 -2.121 9.322 -14.751 1.00 74.21 C ATOM 223 C LYS A 14 -0.661 9.670 -14.481 1.00 31.31 C ATOM 224 O LYS A 14 0.169 9.656 -15.389 1.00 54.51 O ATOM 225 CB LYS A 14 -2.890 10.581 -15.159 1.00 4.01 C ATOM 226 CG LYS A 14 -3.099 11.562 -14.018 1.00 75.31 C ATOM 227 CD LYS A 14 -2.552 12.938 -14.358 1.00 25.33 C ATOM 228 CE LYS A 14 -3.632 13.842 -14.930 1.00 50.05 C ATOM 229 NZ LYS A 14 -3.131 14.646 -16.080 1.00 20.43 N ATOM 0 H LYS A 14 -3.051 9.378 -12.873 1.00 45.21 H new ATOM 0 HA LYS A 14 -2.158 8.600 -15.567 1.00 74.21 H new ATOM 0 HB2 LYS A 14 -2.351 11.081 -15.963 1.00 4.01 H new ATOM 0 HB3 LYS A 14 -3.861 10.290 -15.559 1.00 4.01 H new ATOM 0 HG2 LYS A 14 -4.163 11.638 -13.793 1.00 75.31 H new ATOM 0 HG3 LYS A 14 -2.609 11.186 -13.120 1.00 75.31 H new ATOM 0 HD2 LYS A 14 -2.131 13.395 -13.462 1.00 25.33 H new ATOM 0 HD3 LYS A 14 -1.739 12.840 -15.078 1.00 25.33 H new ATOM 0 HE2 LYS A 14 -4.479 13.237 -15.252 1.00 50.05 H new ATOM 0 HE3 LYS A 14 -3.996 14.511 -14.150 1.00 50.05 H new ATOM 0 HZ1 LYS A 14 -3.897 15.249 -16.442 1.00 20.43 H new ATOM 0 HZ2 LYS A 14 -2.339 15.243 -15.767 1.00 20.43 H new ATOM 0 HZ3 LYS A 14 -2.807 14.008 -16.835 1.00 20.43 H new ATOM 243 N GLY A 15 -0.354 9.980 -13.225 1.00 23.42 N ATOM 244 CA GLY A 15 1.007 10.325 -12.858 1.00 22.02 C ATOM 245 C GLY A 15 1.731 9.182 -12.174 1.00 0.33 C ATOM 246 O GLY A 15 2.259 9.342 -11.074 1.00 43.42 O ATOM 0 H GLY A 15 -1.023 9.998 -12.455 1.00 23.42 H new ATOM 0 HA2 GLY A 15 1.558 10.617 -13.752 1.00 22.02 H new ATOM 0 HA3 GLY A 15 0.993 11.190 -12.195 1.00 22.02 H new ATOM 250 N GLY A 16 1.754 8.024 -12.825 1.00 63.54 N ATOM 251 CA GLY A 16 2.420 6.866 -12.257 1.00 35.11 C ATOM 252 C GLY A 16 3.232 6.102 -13.283 1.00 62.13 C ATOM 253 O GLY A 16 2.744 5.144 -13.883 1.00 44.10 O ATOM 0 H GLY A 16 1.323 7.866 -13.736 1.00 63.54 H new ATOM 0 HA2 GLY A 16 3.075 7.188 -11.447 1.00 35.11 H new ATOM 0 HA3 GLY A 16 1.675 6.201 -11.819 1.00 35.11 H new TER 257 GLY A 16