USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=3 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+ 172:sc= -0.478 (180deg=-0.583) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0638) USER MOD Single : A 9 CYS SG : rot 177:sc= -0.326 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.687 -0.822 -1.543 1.00 61.24 N ATOM 2 CA VAL A 1 2.888 0.014 -2.721 1.00 14.02 C ATOM 3 C VAL A 1 4.354 0.399 -2.878 1.00 3.32 C ATOM 4 O VAL A 1 5.093 0.482 -1.897 1.00 42.43 O ATOM 5 CB VAL A 1 2.036 1.296 -2.651 1.00 22.44 C ATOM 6 CG1 VAL A 1 0.557 0.961 -2.762 1.00 33.34 C ATOM 7 CG2 VAL A 1 2.324 2.056 -1.365 1.00 1.20 C ATOM 0 H1 VAL A 1 1.668 -0.957 -1.383 1.00 61.24 H new ATOM 0 H2 VAL A 1 3.140 -1.746 -1.692 1.00 61.24 H new ATOM 0 H3 VAL A 1 3.109 -0.359 -0.713 1.00 61.24 H new ATOM 0 HA VAL A 1 2.576 -0.574 -3.584 1.00 14.02 H new ATOM 0 HB VAL A 1 2.303 1.936 -3.492 1.00 22.44 H new ATOM 0 HG11 VAL A 1 -0.029 1.879 -2.711 1.00 33.34 H new ATOM 0 HG12 VAL A 1 0.367 0.462 -3.712 1.00 33.34 H new ATOM 0 HG13 VAL A 1 0.271 0.302 -1.943 1.00 33.34 H new ATOM 0 HG21 VAL A 1 1.714 2.959 -1.331 1.00 1.20 H new ATOM 0 HG22 VAL A 1 2.086 1.425 -0.509 1.00 1.20 H new ATOM 0 HG23 VAL A 1 3.379 2.329 -1.332 1.00 1.20 H new ATOM 17 N ALA A 2 4.769 0.634 -4.118 1.00 41.04 N ATOM 18 CA ALA A 2 6.147 1.013 -4.404 1.00 42.32 C ATOM 19 C ALA A 2 6.218 2.414 -5.004 1.00 22.51 C ATOM 20 O ALA A 2 7.107 2.713 -5.802 1.00 12.04 O ATOM 21 CB ALA A 2 6.789 0.002 -5.342 1.00 42.03 C ATOM 0 H ALA A 2 4.170 0.569 -4.941 1.00 41.04 H new ATOM 0 HA ALA A 2 6.698 1.020 -3.464 1.00 42.32 H new ATOM 0 HB1 ALA A 2 7.818 0.298 -5.547 1.00 42.03 H new ATOM 0 HB2 ALA A 2 6.781 -0.983 -4.876 1.00 42.03 H new ATOM 0 HB3 ALA A 2 6.229 -0.034 -6.276 1.00 42.03 H new ATOM 27 N ARG A 3 5.276 3.267 -4.616 1.00 24.05 N ATOM 28 CA ARG A 3 5.231 4.635 -5.117 1.00 5.32 C ATOM 29 C ARG A 3 6.574 5.332 -4.917 1.00 23.11 C ATOM 30 O ARG A 3 6.966 6.186 -5.711 1.00 3.25 O ATOM 31 CB ARG A 3 4.126 5.423 -4.412 1.00 0.33 C ATOM 32 CG ARG A 3 4.239 5.408 -2.896 1.00 44.51 C ATOM 33 CD ARG A 3 2.912 5.747 -2.235 1.00 5.21 C ATOM 34 NE ARG A 3 2.970 5.596 -0.783 1.00 72.45 N ATOM 35 CZ ARG A 3 3.580 6.458 0.022 1.00 71.11 C ATOM 36 NH1 ARG A 3 4.181 7.528 -0.480 1.00 63.41 N ATOM 37 NH2 ARG A 3 3.589 6.251 1.333 1.00 51.34 N ATOM 0 H ARG A 3 4.534 3.035 -3.956 1.00 24.05 H new ATOM 0 HA ARG A 3 5.016 4.597 -6.185 1.00 5.32 H new ATOM 0 HB2 ARG A 3 4.150 6.456 -4.759 1.00 0.33 H new ATOM 0 HB3 ARG A 3 3.158 5.012 -4.700 1.00 0.33 H new ATOM 0 HG2 ARG A 3 4.571 4.424 -2.565 1.00 44.51 H new ATOM 0 HG3 ARG A 3 4.998 6.124 -2.580 1.00 44.51 H new ATOM 0 HD2 ARG A 3 2.635 6.772 -2.482 1.00 5.21 H new ATOM 0 HD3 ARG A 3 2.131 5.100 -2.636 1.00 5.21 H new ATOM 0 HE ARG A 3 2.517 4.784 -0.365 1.00 72.45 H new ATOM 0 HH11 ARG A 3 4.176 7.691 -1.487 1.00 63.41 H new ATOM 0 HH12 ARG A 3 4.649 8.188 0.141 1.00 63.41 H new ATOM 0 HH21 ARG A 3 3.127 5.429 1.723 1.00 51.34 H new ATOM 0 HH22 ARG A 3 4.058 6.914 1.951 1.00 51.34 H new ATOM 51 N GLY A 4 7.275 4.960 -3.850 1.00 10.44 N ATOM 52 CA GLY A 4 8.565 5.560 -3.564 1.00 65.40 C ATOM 53 C GLY A 4 9.711 4.584 -3.749 1.00 1.43 C ATOM 54 O GLY A 4 10.527 4.397 -2.846 1.00 34.51 O ATOM 0 H GLY A 4 6.972 4.254 -3.179 1.00 10.44 H new ATOM 0 HA2 GLY A 4 8.715 6.420 -4.216 1.00 65.40 H new ATOM 0 HA3 GLY A 4 8.570 5.932 -2.540 1.00 65.40 H new ATOM 58 N TRP A 5 9.772 3.962 -4.920 1.00 64.50 N ATOM 59 CA TRP A 5 10.826 2.999 -5.219 1.00 62.51 C ATOM 60 C TRP A 5 11.645 3.445 -6.425 1.00 70.35 C ATOM 61 O TRP A 5 12.775 3.911 -6.283 1.00 44.43 O ATOM 62 CB TRP A 5 10.224 1.617 -5.479 1.00 20.32 C ATOM 63 CG TRP A 5 10.293 0.706 -4.290 1.00 54.04 C ATOM 64 CD1 TRP A 5 10.316 1.075 -2.976 1.00 31.34 C ATOM 65 CD2 TRP A 5 10.349 -0.724 -4.309 1.00 72.51 C ATOM 66 NE1 TRP A 5 10.383 -0.041 -2.176 1.00 2.42 N ATOM 67 CE2 TRP A 5 10.404 -1.157 -2.970 1.00 14.25 C ATOM 68 CE3 TRP A 5 10.356 -1.682 -5.327 1.00 31.34 C ATOM 69 CZ2 TRP A 5 10.466 -2.504 -2.625 1.00 20.25 C ATOM 70 CZ3 TRP A 5 10.418 -3.019 -4.983 1.00 22.25 C ATOM 71 CH2 TRP A 5 10.472 -3.420 -3.641 1.00 73.30 C ATOM 0 H TRP A 5 9.105 4.107 -5.678 1.00 64.50 H new ATOM 0 HA TRP A 5 11.488 2.943 -4.355 1.00 62.51 H new ATOM 0 HB2 TRP A 5 9.183 1.733 -5.779 1.00 20.32 H new ATOM 0 HB3 TRP A 5 10.747 1.152 -6.315 1.00 20.32 H new ATOM 0 HD1 TRP A 5 10.286 2.093 -2.618 1.00 31.34 H new ATOM 0 HE1 TRP A 5 10.412 -0.038 -1.156 1.00 2.42 H new ATOM 0 HE3 TRP A 5 10.314 -1.383 -6.364 1.00 31.34 H new ATOM 0 HZ2 TRP A 5 10.508 -2.815 -1.592 1.00 20.25 H new ATOM 0 HZ3 TRP A 5 10.425 -3.768 -5.761 1.00 22.25 H new ATOM 0 HH2 TRP A 5 10.519 -4.473 -3.404 1.00 73.30 H new ATOM 82 N LYS A 6 11.068 3.299 -7.613 1.00 71.14 N ATOM 83 CA LYS A 6 11.743 3.688 -8.846 1.00 3.44 C ATOM 84 C LYS A 6 10.996 4.821 -9.541 1.00 54.51 C ATOM 85 O LYS A 6 11.532 5.474 -10.436 1.00 43.14 O ATOM 86 CB LYS A 6 11.862 2.488 -9.787 1.00 44.04 C ATOM 87 CG LYS A 6 10.614 1.624 -9.832 1.00 23.42 C ATOM 88 CD LYS A 6 9.456 2.350 -10.495 1.00 61.11 C ATOM 89 CE LYS A 6 8.574 1.392 -11.281 1.00 32.24 C ATOM 90 NZ LYS A 6 8.878 1.426 -12.738 1.00 12.20 N ATOM 0 H LYS A 6 10.133 2.914 -7.748 1.00 71.14 H new ATOM 0 HA LYS A 6 12.742 4.040 -8.588 1.00 3.44 H new ATOM 0 HB2 LYS A 6 12.082 2.846 -10.793 1.00 44.04 H new ATOM 0 HB3 LYS A 6 12.707 1.875 -9.475 1.00 44.04 H new ATOM 0 HG2 LYS A 6 10.827 0.704 -10.376 1.00 23.42 H new ATOM 0 HG3 LYS A 6 10.332 1.337 -8.819 1.00 23.42 H new ATOM 0 HD2 LYS A 6 8.859 2.855 -9.736 1.00 61.11 H new ATOM 0 HD3 LYS A 6 9.842 3.121 -11.162 1.00 61.11 H new ATOM 0 HE2 LYS A 6 8.713 0.379 -10.905 1.00 32.24 H new ATOM 0 HE3 LYS A 6 7.527 1.650 -11.123 1.00 32.24 H new ATOM 0 HZ1 LYS A 6 8.256 0.759 -13.238 1.00 12.20 H new ATOM 0 HZ2 LYS A 6 8.721 2.387 -13.103 1.00 12.20 H new ATOM 0 HZ3 LYS A 6 9.870 1.155 -12.892 1.00 12.20 H new ATOM 104 N ARG A 7 9.755 5.050 -9.123 1.00 2.45 N ATOM 105 CA ARG A 7 8.935 6.105 -9.705 1.00 54.15 C ATOM 106 C ARG A 7 9.575 7.473 -9.491 1.00 51.40 C ATOM 107 O ARG A 7 10.138 8.060 -10.416 1.00 34.30 O ATOM 108 CB ARG A 7 7.532 6.085 -9.095 1.00 51.33 C ATOM 109 CG ARG A 7 6.603 5.067 -9.736 1.00 62.11 C ATOM 110 CD ARG A 7 6.297 5.424 -11.182 1.00 42.41 C ATOM 111 NE ARG A 7 4.912 5.853 -11.359 1.00 4.54 N ATOM 112 CZ ARG A 7 4.468 6.473 -12.446 1.00 71.13 C ATOM 113 NH1 ARG A 7 5.295 6.734 -13.449 1.00 71.02 N ATOM 114 NH2 ARG A 7 3.193 6.832 -12.533 1.00 5.24 N ATOM 0 H ARG A 7 9.296 4.519 -8.383 1.00 2.45 H new ATOM 0 HA ARG A 7 8.861 5.922 -10.777 1.00 54.15 H new ATOM 0 HB2 ARG A 7 7.612 5.871 -8.029 1.00 51.33 H new ATOM 0 HB3 ARG A 7 7.090 7.077 -9.189 1.00 51.33 H new ATOM 0 HG2 ARG A 7 7.060 4.078 -9.693 1.00 62.11 H new ATOM 0 HG3 ARG A 7 5.674 5.013 -9.169 1.00 62.11 H new ATOM 0 HD2 ARG A 7 6.967 6.219 -11.509 1.00 42.41 H new ATOM 0 HD3 ARG A 7 6.493 4.561 -11.818 1.00 42.41 H new ATOM 0 HE ARG A 7 4.250 5.666 -10.606 1.00 4.54 H new ATOM 0 HH11 ARG A 7 6.275 6.458 -13.387 1.00 71.02 H new ATOM 0 HH12 ARG A 7 4.951 7.210 -14.283 1.00 71.02 H new ATOM 0 HH21 ARG A 7 2.553 6.632 -11.764 1.00 5.24 H new ATOM 0 HH22 ARG A 7 2.853 7.308 -13.369 1.00 5.24 H new ATOM 128 N LYS A 8 9.485 7.977 -8.265 1.00 12.41 N ATOM 129 CA LYS A 8 10.055 9.276 -7.927 1.00 63.01 C ATOM 130 C LYS A 8 11.102 9.141 -6.826 1.00 64.42 C ATOM 131 O LYS A 8 11.413 10.108 -6.130 1.00 21.21 O ATOM 132 CB LYS A 8 8.953 10.240 -7.482 1.00 23.13 C ATOM 133 CG LYS A 8 8.001 9.644 -6.460 1.00 13.15 C ATOM 134 CD LYS A 8 6.706 9.182 -7.107 1.00 11.33 C ATOM 135 CE LYS A 8 5.505 9.930 -6.547 1.00 24.23 C ATOM 136 NZ LYS A 8 4.952 9.262 -5.336 1.00 52.21 N ATOM 0 H LYS A 8 9.022 7.505 -7.488 1.00 12.41 H new ATOM 0 HA LYS A 8 10.540 9.675 -8.818 1.00 63.01 H new ATOM 0 HB2 LYS A 8 9.412 11.134 -7.060 1.00 23.13 H new ATOM 0 HB3 LYS A 8 8.383 10.556 -8.356 1.00 23.13 H new ATOM 0 HG2 LYS A 8 8.481 8.801 -5.962 1.00 13.15 H new ATOM 0 HG3 LYS A 8 7.781 10.385 -5.691 1.00 13.15 H new ATOM 0 HD2 LYS A 8 6.761 9.336 -8.185 1.00 11.33 H new ATOM 0 HD3 LYS A 8 6.578 8.112 -6.944 1.00 11.33 H new ATOM 0 HE2 LYS A 8 5.796 10.950 -6.298 1.00 24.23 H new ATOM 0 HE3 LYS A 8 4.730 9.997 -7.311 1.00 24.23 H new ATOM 0 HZ1 LYS A 8 4.326 9.922 -4.831 1.00 52.21 H new ATOM 0 HZ2 LYS A 8 4.411 8.421 -5.620 1.00 52.21 H new ATOM 0 HZ3 LYS A 8 5.732 8.977 -4.710 1.00 52.21 H new ATOM 150 N CYS A 9 11.643 7.937 -6.676 1.00 23.24 N ATOM 151 CA CYS A 9 12.657 7.676 -5.659 1.00 75.43 C ATOM 152 C CYS A 9 13.955 7.194 -6.298 1.00 22.54 C ATOM 153 O CYS A 9 14.307 6.016 -6.234 1.00 23.55 O ATOM 154 CB CYS A 9 12.149 6.636 -4.659 1.00 22.01 C ATOM 155 SG CYS A 9 11.430 7.344 -3.159 1.00 5.53 S ATOM 0 H CYS A 9 11.397 7.127 -7.245 1.00 23.24 H new ATOM 0 HA CYS A 9 12.857 8.609 -5.132 1.00 75.43 H new ATOM 0 HB2 CYS A 9 11.401 6.012 -5.148 1.00 22.01 H new ATOM 0 HB3 CYS A 9 12.975 5.982 -4.379 1.00 22.01 H new ATOM 0 HG CYS A 9 10.974 6.389 -2.404 1.00 5.53 H new ATOM 161 N PRO A 10 14.685 8.124 -6.930 1.00 52.34 N ATOM 162 CA PRO A 10 15.955 7.818 -7.594 1.00 65.30 C ATOM 163 C PRO A 10 17.063 7.485 -6.600 1.00 71.52 C ATOM 164 O PRO A 10 18.120 6.979 -6.980 1.00 3.34 O ATOM 165 CB PRO A 10 16.283 9.110 -8.347 1.00 23.33 C ATOM 166 CG PRO A 10 15.579 10.180 -7.587 1.00 35.11 C ATOM 167 CD PRO A 10 14.326 9.548 -7.046 1.00 71.33 C ATOM 0 HA PRO A 10 15.877 6.942 -8.238 1.00 65.30 H new ATOM 0 HB2 PRO A 10 17.358 9.288 -8.378 1.00 23.33 H new ATOM 0 HB3 PRO A 10 15.937 9.065 -9.380 1.00 23.33 H new ATOM 0 HG2 PRO A 10 16.204 10.561 -6.779 1.00 35.11 H new ATOM 0 HG3 PRO A 10 15.342 11.026 -8.232 1.00 35.11 H new ATOM 0 HD2 PRO A 10 14.046 9.972 -6.081 1.00 71.33 H new ATOM 0 HD3 PRO A 10 13.480 9.696 -7.717 1.00 71.33 H new ATOM 175 N LEU A 11 16.814 7.770 -5.327 1.00 21.32 N ATOM 176 CA LEU A 11 17.791 7.500 -4.277 1.00 74.43 C ATOM 177 C LEU A 11 17.510 6.160 -3.604 1.00 62.23 C ATOM 178 O LEU A 11 18.414 5.525 -3.061 1.00 64.54 O ATOM 179 CB LEU A 11 17.773 8.620 -3.236 1.00 74.00 C ATOM 180 CG LEU A 11 18.872 8.568 -2.175 1.00 21.54 C ATOM 181 CD1 LEU A 11 20.171 9.137 -2.723 1.00 63.42 C ATOM 182 CD2 LEU A 11 18.443 9.322 -0.925 1.00 20.04 C ATOM 0 H LEU A 11 15.944 8.188 -4.996 1.00 21.32 H new ATOM 0 HA LEU A 11 18.779 7.455 -4.736 1.00 74.43 H new ATOM 0 HB2 LEU A 11 17.844 9.575 -3.757 1.00 74.00 H new ATOM 0 HB3 LEU A 11 16.807 8.604 -2.731 1.00 74.00 H new ATOM 0 HG LEU A 11 19.041 7.525 -1.906 1.00 21.54 H new ATOM 0 HD11 LEU A 11 20.941 9.092 -1.953 1.00 63.42 H new ATOM 0 HD12 LEU A 11 20.487 8.554 -3.588 1.00 63.42 H new ATOM 0 HD13 LEU A 11 20.017 10.174 -3.021 1.00 63.42 H new ATOM 0 HD21 LEU A 11 19.238 9.274 -0.181 1.00 20.04 H new ATOM 0 HD22 LEU A 11 18.245 10.364 -1.178 1.00 20.04 H new ATOM 0 HD23 LEU A 11 17.538 8.869 -0.519 1.00 20.04 H new ATOM 194 N PHE A 12 16.252 5.735 -3.646 1.00 32.34 N ATOM 195 CA PHE A 12 15.852 4.469 -3.041 1.00 10.41 C ATOM 196 C PHE A 12 15.439 3.462 -4.110 1.00 53.20 C ATOM 197 O PHE A 12 14.653 2.552 -3.850 1.00 52.03 O ATOM 198 CB PHE A 12 14.699 4.691 -2.060 1.00 20.44 C ATOM 199 CG PHE A 12 15.011 4.249 -0.658 1.00 63.24 C ATOM 200 CD1 PHE A 12 15.098 5.173 0.370 1.00 25.23 C ATOM 201 CD2 PHE A 12 15.218 2.909 -0.370 1.00 42.41 C ATOM 202 CE1 PHE A 12 15.385 4.770 1.661 1.00 63.41 C ATOM 203 CE2 PHE A 12 15.505 2.500 0.918 1.00 12.25 C ATOM 204 CZ PHE A 12 15.590 3.432 1.935 1.00 32.50 C ATOM 0 H PHE A 12 15.492 6.248 -4.092 1.00 32.34 H new ATOM 0 HA PHE A 12 16.708 4.066 -2.500 1.00 10.41 H new ATOM 0 HB2 PHE A 12 14.440 5.750 -2.050 1.00 20.44 H new ATOM 0 HB3 PHE A 12 13.821 4.152 -2.416 1.00 20.44 H new ATOM 0 HD1 PHE A 12 14.940 6.221 0.161 1.00 25.23 H new ATOM 0 HD2 PHE A 12 15.154 2.177 -1.161 1.00 42.41 H new ATOM 0 HE1 PHE A 12 15.449 5.500 2.454 1.00 63.41 H new ATOM 0 HE2 PHE A 12 15.663 1.453 1.130 1.00 12.25 H new ATOM 0 HZ PHE A 12 15.816 3.115 2.942 1.00 32.50 H new ATOM 214 N GLY A 13 15.975 3.633 -5.315 1.00 14.42 N ATOM 215 CA GLY A 13 15.650 2.733 -6.406 1.00 12.41 C ATOM 216 C GLY A 13 16.686 1.642 -6.585 1.00 30.42 C ATOM 217 O GLY A 13 16.907 1.161 -7.697 1.00 23.05 O ATOM 0 H GLY A 13 16.628 4.379 -5.555 1.00 14.42 H new ATOM 0 HA2 GLY A 13 14.677 2.279 -6.221 1.00 12.41 H new ATOM 0 HA3 GLY A 13 15.564 3.304 -7.331 1.00 12.41 H new ATOM 221 N LYS A 14 17.325 1.249 -5.488 1.00 31.00 N ATOM 222 CA LYS A 14 18.344 0.207 -5.527 1.00 43.22 C ATOM 223 C LYS A 14 17.789 -1.075 -6.140 1.00 10.34 C ATOM 224 O LYS A 14 18.529 -1.869 -6.719 1.00 0.34 O ATOM 225 CB LYS A 14 18.870 -0.074 -4.118 1.00 33.33 C ATOM 226 CG LYS A 14 19.585 1.108 -3.488 1.00 1.32 C ATOM 227 CD LYS A 14 19.728 0.937 -1.985 1.00 10.53 C ATOM 228 CE LYS A 14 21.070 1.456 -1.490 1.00 34.21 C ATOM 229 NZ LYS A 14 21.249 1.225 -0.030 1.00 21.33 N ATOM 0 H LYS A 14 17.155 1.637 -4.560 1.00 31.00 H new ATOM 0 HA LYS A 14 19.165 0.560 -6.151 1.00 43.22 H new ATOM 0 HB2 LYS A 14 18.036 -0.366 -3.480 1.00 33.33 H new ATOM 0 HB3 LYS A 14 19.553 -0.922 -4.157 1.00 33.33 H new ATOM 0 HG2 LYS A 14 20.572 1.219 -3.938 1.00 1.32 H new ATOM 0 HG3 LYS A 14 19.033 2.024 -3.700 1.00 1.32 H new ATOM 0 HD2 LYS A 14 18.922 1.469 -1.479 1.00 10.53 H new ATOM 0 HD3 LYS A 14 19.626 -0.117 -1.726 1.00 10.53 H new ATOM 0 HE2 LYS A 14 21.874 0.964 -2.037 1.00 34.21 H new ATOM 0 HE3 LYS A 14 21.147 2.523 -1.701 1.00 34.21 H new ATOM 0 HZ1 LYS A 14 22.175 1.592 0.269 1.00 21.33 H new ATOM 0 HZ2 LYS A 14 20.496 1.716 0.494 1.00 21.33 H new ATOM 0 HZ3 LYS A 14 21.201 0.205 0.169 1.00 21.33 H new ATOM 243 N GLY A 15 16.480 -1.269 -6.009 1.00 21.33 N ATOM 244 CA GLY A 15 15.848 -2.456 -6.556 1.00 2.25 C ATOM 245 C GLY A 15 15.598 -2.344 -8.046 1.00 72.43 C ATOM 246 O GLY A 15 16.426 -2.761 -8.855 1.00 30.21 O ATOM 0 H GLY A 15 15.846 -0.626 -5.534 1.00 21.33 H new ATOM 0 HA2 GLY A 15 16.479 -3.323 -6.361 1.00 2.25 H new ATOM 0 HA3 GLY A 15 14.902 -2.629 -6.044 1.00 2.25 H new ATOM 250 N GLY A 16 14.450 -1.781 -8.412 1.00 20.22 N ATOM 251 CA GLY A 16 14.112 -1.628 -9.815 1.00 24.31 C ATOM 252 C GLY A 16 14.801 -0.437 -10.450 1.00 50.24 C ATOM 253 O GLY A 16 15.410 -0.557 -11.513 1.00 74.55 O ATOM 0 H GLY A 16 13.748 -1.428 -7.761 1.00 20.22 H new ATOM 0 HA2 GLY A 16 14.390 -2.534 -10.353 1.00 24.31 H new ATOM 0 HA3 GLY A 16 13.032 -1.516 -9.915 1.00 24.31 H new TER 257 GLY A 16