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+ 170:sc= -0.52 (180deg=-0.829) 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 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.961 -1.211 -0.225 1.00 31.24 N ATOM 2 CA VAL A 1 1.819 -0.842 -1.344 1.00 61.51 C ATOM 3 C VAL A 1 3.167 -1.549 -1.259 1.00 63.32 C ATOM 4 O VAL A 1 4.191 -1.008 -1.675 1.00 51.52 O ATOM 5 CB VAL A 1 2.052 0.679 -1.395 1.00 50.25 C ATOM 6 CG1 VAL A 1 0.762 1.405 -1.744 1.00 52.54 C ATOM 7 CG2 VAL A 1 2.612 1.177 -0.072 1.00 24.02 C ATOM 0 H1 VAL A 1 0.123 -0.595 -0.212 1.00 31.24 H new ATOM 0 H2 VAL A 1 0.661 -2.201 -0.330 1.00 31.24 H new ATOM 0 H3 VAL A 1 1.486 -1.101 0.666 1.00 31.24 H new ATOM 0 HA VAL A 1 1.305 -1.154 -2.253 1.00 61.51 H new ATOM 0 HB VAL A 1 2.783 0.891 -2.175 1.00 50.25 H new ATOM 0 HG11 VAL A 1 0.946 2.479 -1.775 1.00 52.54 H new ATOM 0 HG12 VAL A 1 0.407 1.069 -2.718 1.00 52.54 H new ATOM 0 HG13 VAL A 1 0.007 1.188 -0.989 1.00 52.54 H new ATOM 0 HG21 VAL A 1 2.770 2.254 -0.126 1.00 24.02 H new ATOM 0 HG22 VAL A 1 1.907 0.954 0.729 1.00 24.02 H new ATOM 0 HG23 VAL A 1 3.561 0.681 0.131 1.00 24.02 H new ATOM 17 N ALA A 2 3.160 -2.763 -0.718 1.00 12.13 N ATOM 18 CA ALA A 2 4.382 -3.546 -0.580 1.00 53.33 C ATOM 19 C ALA A 2 4.279 -4.863 -1.342 1.00 54.42 C ATOM 20 O ALA A 2 4.462 -5.937 -0.770 1.00 70.35 O ATOM 21 CB ALA A 2 4.680 -3.806 0.889 1.00 54.41 C ATOM 0 H ALA A 2 2.321 -3.226 -0.368 1.00 12.13 H new ATOM 0 HA ALA A 2 5.203 -2.971 -1.009 1.00 53.33 H new ATOM 0 HB1 ALA A 2 5.595 -4.392 0.977 1.00 54.41 H new ATOM 0 HB2 ALA A 2 4.806 -2.856 1.408 1.00 54.41 H new ATOM 0 HB3 ALA A 2 3.853 -4.357 1.336 1.00 54.41 H new ATOM 27 N ARG A 3 3.983 -4.771 -2.635 1.00 24.52 N ATOM 28 CA ARG A 3 3.854 -5.956 -3.474 1.00 60.43 C ATOM 29 C ARG A 3 5.147 -6.767 -3.473 1.00 74.40 C ATOM 30 O ARG A 3 5.144 -7.960 -3.777 1.00 12.51 O ATOM 31 CB ARG A 3 3.492 -5.556 -4.906 1.00 32.43 C ATOM 32 CG ARG A 3 4.696 -5.421 -5.823 1.00 72.15 C ATOM 33 CD ARG A 3 4.295 -4.903 -7.196 1.00 11.23 C ATOM 34 NE ARG A 3 4.728 -5.797 -8.266 1.00 52.34 N ATOM 35 CZ ARG A 3 4.076 -6.903 -8.609 1.00 5.41 C ATOM 36 NH1 ARG A 3 2.968 -7.249 -7.968 1.00 43.54 N ATOM 37 NH2 ARG A 3 4.533 -7.665 -9.594 1.00 42.34 N ATOM 0 H ARG A 3 3.828 -3.889 -3.123 1.00 24.52 H new ATOM 0 HA ARG A 3 3.056 -6.575 -3.064 1.00 60.43 H new ATOM 0 HB2 ARG A 3 2.811 -6.299 -5.321 1.00 32.43 H new ATOM 0 HB3 ARG A 3 2.954 -4.608 -4.885 1.00 32.43 H new ATOM 0 HG2 ARG A 3 5.422 -4.743 -5.375 1.00 72.15 H new ATOM 0 HG3 ARG A 3 5.186 -6.389 -5.927 1.00 72.15 H new ATOM 0 HD2 ARG A 3 3.212 -4.786 -7.237 1.00 11.23 H new ATOM 0 HD3 ARG A 3 4.728 -3.915 -7.351 1.00 11.23 H new ATOM 0 HE ARG A 3 5.577 -5.560 -8.778 1.00 52.34 H new ATOM 0 HH11 ARG A 3 2.614 -6.666 -7.210 1.00 43.54 H new ATOM 0 HH12 ARG A 3 2.469 -8.098 -8.233 1.00 43.54 H new ATOM 0 HH21 ARG A 3 5.385 -7.402 -10.089 1.00 42.34 H new ATOM 0 HH22 ARG A 3 4.032 -8.514 -9.857 1.00 42.34 H new ATOM 51 N GLY A 4 6.251 -6.111 -3.129 1.00 72.21 N ATOM 52 CA GLY A 4 7.535 -6.786 -3.095 1.00 71.55 C ATOM 53 C GLY A 4 7.521 -8.014 -2.206 1.00 62.15 C ATOM 54 O GLY A 4 8.364 -8.900 -2.348 1.00 3.05 O ATOM 0 H GLY A 4 6.279 -5.124 -2.873 1.00 72.21 H new ATOM 0 HA2 GLY A 4 7.816 -7.077 -4.107 1.00 71.55 H new ATOM 0 HA3 GLY A 4 8.297 -6.093 -2.740 1.00 71.55 H new ATOM 58 N TRP A 5 6.564 -8.066 -1.288 1.00 34.41 N ATOM 59 CA TRP A 5 6.445 -9.194 -0.371 1.00 22.51 C ATOM 60 C TRP A 5 6.158 -10.485 -1.130 1.00 33.21 C ATOM 61 O TRP A 5 6.469 -11.578 -0.657 1.00 25.32 O ATOM 62 CB TRP A 5 5.339 -8.933 0.652 1.00 13.41 C ATOM 63 CG TRP A 5 3.961 -9.161 0.108 1.00 12.14 C ATOM 64 CD1 TRP A 5 3.429 -8.624 -1.029 1.00 64.24 C ATOM 65 CD2 TRP A 5 2.939 -9.985 0.681 1.00 42.41 C ATOM 66 NE1 TRP A 5 2.139 -9.065 -1.199 1.00 12.53 N ATOM 67 CE2 TRP A 5 1.815 -9.901 -0.163 1.00 52.14 C ATOM 68 CE3 TRP A 5 2.865 -10.786 1.823 1.00 25.12 C ATOM 69 CZ2 TRP A 5 0.633 -10.588 0.101 1.00 12.43 C ATOM 70 CZ3 TRP A 5 1.692 -11.467 2.085 1.00 54.33 C ATOM 71 CH2 TRP A 5 0.588 -11.365 1.227 1.00 45.14 C ATOM 0 H TRP A 5 5.859 -7.341 -1.158 1.00 34.41 H new ATOM 0 HA TRP A 5 7.395 -9.305 0.152 1.00 22.51 H new ATOM 0 HB2 TRP A 5 5.493 -9.580 1.516 1.00 13.41 H new ATOM 0 HB3 TRP A 5 5.417 -7.905 1.006 1.00 13.41 H new ATOM 0 HD1 TRP A 5 3.946 -7.951 -1.697 1.00 64.24 H new ATOM 0 HE1 TRP A 5 1.523 -8.811 -1.971 1.00 12.53 H new ATOM 0 HE3 TRP A 5 3.710 -10.871 2.490 1.00 25.12 H new ATOM 0 HZ2 TRP A 5 -0.218 -10.511 -0.559 1.00 12.43 H new ATOM 0 HZ3 TRP A 5 1.624 -12.088 2.966 1.00 54.33 H new ATOM 0 HH2 TRP A 5 -0.315 -11.910 1.459 1.00 45.14 H new ATOM 82 N LYS A 6 5.562 -10.352 -2.310 1.00 35.31 N ATOM 83 CA LYS A 6 5.233 -11.508 -3.136 1.00 50.01 C ATOM 84 C LYS A 6 6.343 -11.790 -4.144 1.00 11.43 C ATOM 85 O LYS A 6 6.357 -12.838 -4.789 1.00 11.00 O ATOM 86 CB LYS A 6 3.910 -11.277 -3.870 1.00 1.42 C ATOM 87 CG LYS A 6 4.081 -10.707 -5.267 1.00 43.14 C ATOM 88 CD LYS A 6 2.816 -10.015 -5.747 1.00 30.45 C ATOM 89 CE LYS A 6 1.729 -11.021 -6.096 1.00 3.34 C ATOM 90 NZ LYS A 6 1.314 -10.916 -7.522 1.00 12.52 N ATOM 0 H LYS A 6 5.297 -9.455 -2.716 1.00 35.31 H new ATOM 0 HA LYS A 6 5.132 -12.374 -2.481 1.00 50.01 H new ATOM 0 HB2 LYS A 6 3.371 -12.222 -3.936 1.00 1.42 H new ATOM 0 HB3 LYS A 6 3.292 -10.598 -3.283 1.00 1.42 H new ATOM 0 HG2 LYS A 6 4.909 -9.998 -5.273 1.00 43.14 H new ATOM 0 HG3 LYS A 6 4.343 -11.508 -5.958 1.00 43.14 H new ATOM 0 HD2 LYS A 6 2.453 -9.340 -4.972 1.00 30.45 H new ATOM 0 HD3 LYS A 6 3.043 -9.405 -6.621 1.00 30.45 H new ATOM 0 HE2 LYS A 6 2.090 -12.030 -5.896 1.00 3.34 H new ATOM 0 HE3 LYS A 6 0.864 -10.859 -5.453 1.00 3.34 H new ATOM 0 HZ1 LYS A 6 0.572 -11.618 -7.720 1.00 12.52 H new ATOM 0 HZ2 LYS A 6 0.946 -9.961 -7.707 1.00 12.52 H new ATOM 0 HZ3 LYS A 6 2.134 -11.096 -8.136 1.00 12.52 H new ATOM 104 N ARG A 7 7.272 -10.848 -4.272 1.00 70.05 N ATOM 105 CA ARG A 7 8.386 -10.996 -5.201 1.00 52.34 C ATOM 106 C ARG A 7 9.499 -11.838 -4.586 1.00 21.42 C ATOM 107 O ARG A 7 9.608 -13.035 -4.854 1.00 74.10 O ATOM 108 CB ARG A 7 8.931 -9.623 -5.599 1.00 43.03 C ATOM 109 CG ARG A 7 7.899 -8.726 -6.262 1.00 72.14 C ATOM 110 CD ARG A 7 8.481 -7.363 -6.603 1.00 62.42 C ATOM 111 NE ARG A 7 9.382 -7.425 -7.751 1.00 52.33 N ATOM 112 CZ ARG A 7 8.971 -7.627 -8.998 1.00 35.40 C ATOM 113 NH1 ARG A 7 7.680 -7.787 -9.256 1.00 71.01 N ATOM 114 NH2 ARG A 7 9.851 -7.670 -9.990 1.00 20.23 N ATOM 0 H ARG A 7 7.275 -9.975 -3.745 1.00 70.05 H new ATOM 0 HA ARG A 7 8.019 -11.506 -6.091 1.00 52.34 H new ATOM 0 HB2 ARG A 7 9.317 -9.123 -4.710 1.00 43.03 H new ATOM 0 HB3 ARG A 7 9.772 -9.759 -6.279 1.00 43.03 H new ATOM 0 HG2 ARG A 7 7.531 -9.203 -7.170 1.00 72.14 H new ATOM 0 HG3 ARG A 7 7.044 -8.602 -5.598 1.00 72.14 H new ATOM 0 HD2 ARG A 7 7.671 -6.665 -6.815 1.00 62.42 H new ATOM 0 HD3 ARG A 7 9.020 -6.972 -5.740 1.00 62.42 H new ATOM 0 HE ARG A 7 10.382 -7.307 -7.586 1.00 52.33 H new ATOM 0 HH11 ARG A 7 7.000 -7.755 -8.496 1.00 71.01 H new ATOM 0 HH12 ARG A 7 7.367 -7.942 -10.214 1.00 71.01 H new ATOM 0 HH21 ARG A 7 10.845 -7.548 -9.796 1.00 20.23 H new ATOM 0 HH22 ARG A 7 9.534 -7.825 -10.947 1.00 20.23 H new ATOM 128 N LYS A 8 10.325 -11.206 -3.759 1.00 51.44 N ATOM 129 CA LYS A 8 11.430 -11.895 -3.104 1.00 71.54 C ATOM 130 C LYS A 8 11.056 -12.290 -1.679 1.00 64.32 C ATOM 131 O LYS A 8 10.699 -13.439 -1.417 1.00 31.32 O ATOM 132 CB LYS A 8 12.676 -11.007 -3.089 1.00 13.21 C ATOM 133 CG LYS A 8 13.203 -10.675 -4.474 1.00 43.10 C ATOM 134 CD LYS A 8 14.267 -9.591 -4.421 1.00 21.23 C ATOM 135 CE LYS A 8 15.072 -9.536 -5.710 1.00 73.12 C ATOM 136 NZ LYS A 8 14.942 -8.217 -6.389 1.00 75.12 N ATOM 0 H LYS A 8 10.249 -10.216 -3.526 1.00 51.44 H new ATOM 0 HA LYS A 8 11.646 -12.802 -3.669 1.00 71.54 H new ATOM 0 HB2 LYS A 8 12.444 -10.079 -2.566 1.00 13.21 H new ATOM 0 HB3 LYS A 8 13.461 -11.506 -2.521 1.00 13.21 H new ATOM 0 HG2 LYS A 8 13.620 -11.573 -4.931 1.00 43.10 H new ATOM 0 HG3 LYS A 8 12.380 -10.347 -5.109 1.00 43.10 H new ATOM 0 HD2 LYS A 8 13.795 -8.625 -4.244 1.00 21.23 H new ATOM 0 HD3 LYS A 8 14.936 -9.777 -3.581 1.00 21.23 H new ATOM 0 HE2 LYS A 8 16.122 -9.730 -5.491 1.00 73.12 H new ATOM 0 HE3 LYS A 8 14.736 -10.325 -6.382 1.00 73.12 H new ATOM 0 HZ1 LYS A 8 15.505 -8.220 -7.263 1.00 75.12 H new ATOM 0 HZ2 LYS A 8 13.943 -8.043 -6.621 1.00 75.12 H new ATOM 0 HZ3 LYS A 8 15.287 -7.466 -5.757 1.00 75.12 H new ATOM 150 N CYS A 9 11.140 -11.332 -0.764 1.00 3.45 N ATOM 151 CA CYS A 9 10.810 -11.580 0.635 1.00 3.45 C ATOM 152 C CYS A 9 9.317 -11.840 0.804 1.00 70.32 C ATOM 153 O CYS A 9 8.475 -10.998 0.491 1.00 5.31 O ATOM 154 CB CYS A 9 11.233 -10.391 1.499 1.00 3.43 C ATOM 155 SG CYS A 9 12.629 -10.735 2.597 1.00 54.34 S ATOM 0 H CYS A 9 11.434 -10.376 -0.965 1.00 3.45 H new ATOM 0 HA CYS A 9 11.354 -12.467 0.959 1.00 3.45 H new ATOM 0 HB2 CYS A 9 11.494 -9.557 0.848 1.00 3.43 H new ATOM 0 HB3 CYS A 9 10.382 -10.072 2.100 1.00 3.43 H new ATOM 0 HG CYS A 9 12.913 -9.669 3.284 1.00 54.34 H new ATOM 161 N PRO A 10 8.978 -13.036 1.308 1.00 0.04 N ATOM 162 CA PRO A 10 7.585 -13.436 1.529 1.00 61.24 C ATOM 163 C PRO A 10 6.932 -12.661 2.668 1.00 44.11 C ATOM 164 O PRO A 10 5.715 -12.709 2.848 1.00 73.22 O ATOM 165 CB PRO A 10 7.695 -14.921 1.886 1.00 52.42 C ATOM 166 CG PRO A 10 9.068 -15.076 2.443 1.00 52.33 C ATOM 167 CD PRO A 10 9.929 -14.089 1.703 1.00 35.13 C ATOM 0 HA PRO A 10 6.961 -13.238 0.657 1.00 61.24 H new ATOM 0 HB2 PRO A 10 6.937 -15.210 2.614 1.00 52.42 H new ATOM 0 HB3 PRO A 10 7.550 -15.551 1.008 1.00 52.42 H new ATOM 0 HG2 PRO A 10 9.079 -14.877 3.515 1.00 52.33 H new ATOM 0 HG3 PRO A 10 9.433 -16.094 2.304 1.00 52.33 H new ATOM 0 HD2 PRO A 10 10.724 -13.695 2.336 1.00 35.13 H new ATOM 0 HD3 PRO A 10 10.408 -14.544 0.836 1.00 35.13 H new ATOM 175 N LEU A 11 7.748 -11.946 3.435 1.00 65.33 N ATOM 176 CA LEU A 11 7.250 -11.159 4.557 1.00 20.43 C ATOM 177 C LEU A 11 7.615 -9.687 4.395 1.00 32.30 C ATOM 178 O LEU A 11 7.705 -8.947 5.375 1.00 73.40 O ATOM 179 CB LEU A 11 7.817 -11.695 5.873 1.00 24.10 C ATOM 180 CG LEU A 11 9.253 -12.219 5.821 1.00 72.52 C ATOM 181 CD1 LEU A 11 10.066 -11.665 6.980 1.00 20.33 C ATOM 182 CD2 LEU A 11 9.266 -13.741 5.837 1.00 33.01 C ATOM 0 H LEU A 11 8.758 -11.895 3.300 1.00 65.33 H new ATOM 0 HA LEU A 11 6.164 -11.245 4.575 1.00 20.43 H new ATOM 0 HB2 LEU A 11 7.768 -10.900 6.617 1.00 24.10 H new ATOM 0 HB3 LEU A 11 7.170 -12.499 6.223 1.00 24.10 H new ATOM 0 HG LEU A 11 9.709 -11.881 4.890 1.00 72.52 H new ATOM 0 HD11 LEU A 11 11.085 -12.049 6.926 1.00 20.33 H new ATOM 0 HD12 LEU A 11 10.085 -10.577 6.924 1.00 20.33 H new ATOM 0 HD13 LEU A 11 9.612 -11.972 7.922 1.00 20.33 H new ATOM 0 HD21 LEU A 11 10.296 -14.096 5.799 1.00 33.01 H new ATOM 0 HD22 LEU A 11 8.791 -14.099 6.751 1.00 33.01 H new ATOM 0 HD23 LEU A 11 8.720 -14.119 4.972 1.00 33.01 H new ATOM 194 N PHE A 12 7.822 -9.268 3.151 1.00 20.11 N ATOM 195 CA PHE A 12 8.176 -7.884 2.860 1.00 52.32 C ATOM 196 C PHE A 12 6.948 -6.981 2.935 1.00 74.25 C ATOM 197 O PHE A 12 6.628 -6.270 1.983 1.00 13.43 O ATOM 198 CB PHE A 12 8.816 -7.779 1.474 1.00 73.31 C ATOM 199 CG PHE A 12 9.900 -6.743 1.391 1.00 60.32 C ATOM 200 CD1 PHE A 12 9.820 -5.576 2.133 1.00 34.10 C ATOM 201 CD2 PHE A 12 11.000 -6.936 0.570 1.00 35.40 C ATOM 202 CE1 PHE A 12 10.816 -4.621 2.059 1.00 11.22 C ATOM 203 CE2 PHE A 12 11.999 -5.985 0.492 1.00 11.04 C ATOM 204 CZ PHE A 12 11.906 -4.825 1.237 1.00 65.21 C ATOM 0 H PHE A 12 7.751 -9.867 2.329 1.00 20.11 H new ATOM 0 HA PHE A 12 8.895 -7.554 3.610 1.00 52.32 H new ATOM 0 HB2 PHE A 12 9.230 -8.749 1.199 1.00 73.31 H new ATOM 0 HB3 PHE A 12 8.043 -7.544 0.743 1.00 73.31 H new ATOM 0 HD1 PHE A 12 8.969 -5.411 2.777 1.00 34.10 H new ATOM 0 HD2 PHE A 12 11.077 -7.840 -0.015 1.00 35.40 H new ATOM 0 HE1 PHE A 12 10.742 -3.716 2.644 1.00 11.22 H new ATOM 0 HE2 PHE A 12 12.852 -6.148 -0.151 1.00 11.04 H new ATOM 0 HZ PHE A 12 12.685 -4.079 1.176 1.00 65.21 H new ATOM 214 N GLY A 13 6.262 -7.017 4.073 1.00 23.35 N ATOM 215 CA GLY A 13 5.077 -6.200 4.252 1.00 13.41 C ATOM 216 C GLY A 13 5.384 -4.869 4.910 1.00 51.01 C ATOM 217 O GLY A 13 4.520 -4.270 5.551 1.00 30.42 O ATOM 0 H GLY A 13 6.506 -7.598 4.875 1.00 23.35 H new ATOM 0 HA2 GLY A 13 4.611 -6.024 3.282 1.00 13.41 H new ATOM 0 HA3 GLY A 13 4.353 -6.744 4.859 1.00 13.41 H new ATOM 221 N LYS A 14 6.619 -4.404 4.753 1.00 33.30 N ATOM 222 CA LYS A 14 7.039 -3.136 5.337 1.00 64.13 C ATOM 223 C LYS A 14 7.491 -2.162 4.253 1.00 14.33 C ATOM 224 O LYS A 14 7.326 -0.950 4.387 1.00 0.12 O ATOM 225 CB LYS A 14 8.174 -3.363 6.338 1.00 63.41 C ATOM 226 CG LYS A 14 9.284 -4.255 5.807 1.00 11.34 C ATOM 227 CD LYS A 14 10.653 -3.760 6.244 1.00 71.34 C ATOM 228 CE LYS A 14 10.982 -4.207 7.660 1.00 73.01 C ATOM 229 NZ LYS A 14 12.355 -3.799 8.065 1.00 23.33 N ATOM 0 H LYS A 14 7.347 -4.887 4.226 1.00 33.30 H new ATOM 0 HA LYS A 14 6.185 -2.703 5.858 1.00 64.13 H new ATOM 0 HB2 LYS A 14 8.597 -2.399 6.619 1.00 63.41 H new ATOM 0 HB3 LYS A 14 7.764 -3.808 7.245 1.00 63.41 H new ATOM 0 HG2 LYS A 14 9.134 -5.275 6.162 1.00 11.34 H new ATOM 0 HG3 LYS A 14 9.238 -4.286 4.718 1.00 11.34 H new ATOM 0 HD2 LYS A 14 11.412 -4.134 5.558 1.00 71.34 H new ATOM 0 HD3 LYS A 14 10.682 -2.672 6.189 1.00 71.34 H new ATOM 0 HE2 LYS A 14 10.257 -3.780 8.353 1.00 73.01 H new ATOM 0 HE3 LYS A 14 10.890 -5.291 7.729 1.00 73.01 H new ATOM 0 HZ1 LYS A 14 12.541 -4.122 9.036 1.00 23.33 H new ATOM 0 HZ2 LYS A 14 13.049 -4.226 7.419 1.00 23.33 H new ATOM 0 HZ3 LYS A 14 12.436 -2.763 8.024 1.00 23.33 H new ATOM 243 N GLY A 15 8.060 -2.700 3.179 1.00 74.02 N ATOM 244 CA GLY A 15 8.524 -1.864 2.088 1.00 41.53 C ATOM 245 C GLY A 15 7.824 -2.175 0.780 1.00 51.32 C ATOM 246 O GLY A 15 6.803 -1.570 0.455 1.00 32.42 O ATOM 0 H GLY A 15 8.208 -3.700 3.045 1.00 74.02 H new ATOM 0 HA2 GLY A 15 8.362 -0.817 2.343 1.00 41.53 H new ATOM 0 HA3 GLY A 15 9.598 -1.999 1.963 1.00 41.53 H new ATOM 250 N GLY A 16 8.375 -3.121 0.025 1.00 5.53 N ATOM 251 CA GLY A 16 7.785 -3.493 -1.247 1.00 12.01 C ATOM 252 C GLY A 16 8.823 -3.681 -2.335 1.00 51.44 C ATOM 253 O GLY A 16 9.555 -2.750 -2.671 1.00 50.21 O ATOM 0 H GLY A 16 9.220 -3.636 0.272 1.00 5.53 H new ATOM 0 HA2 GLY A 16 7.219 -4.417 -1.125 1.00 12.01 H new ATOM 0 HA3 GLY A 16 7.077 -2.724 -1.554 1.00 12.01 H new TER 257 GLY A 16