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+ 174:sc= -0.422 (180deg=-0.491) 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 52:sc= -0.113 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.129 -0.544 -0.544 1.00 4.01 N ATOM 2 CA VAL A 1 2.824 -0.717 -1.814 1.00 23.11 C ATOM 3 C VAL A 1 1.898 -1.307 -2.871 1.00 71.12 C ATOM 4 O VAL A 1 1.953 -0.928 -4.041 1.00 14.45 O ATOM 5 CB VAL A 1 4.056 -1.629 -1.660 1.00 1.30 C ATOM 6 CG1 VAL A 1 3.656 -2.972 -1.069 1.00 1.24 C ATOM 7 CG2 VAL A 1 4.753 -1.813 -3.000 1.00 33.03 C ATOM 0 H1 VAL A 1 2.806 -0.237 0.183 1.00 4.01 H new ATOM 0 H2 VAL A 1 1.386 0.175 -0.650 1.00 4.01 H new ATOM 0 H3 VAL A 1 1.699 -1.447 -0.258 1.00 4.01 H new ATOM 0 HA VAL A 1 3.151 0.273 -2.133 1.00 23.11 H new ATOM 0 HB VAL A 1 4.756 -1.152 -0.974 1.00 1.30 H new ATOM 0 HG11 VAL A 1 4.539 -3.603 -0.968 1.00 1.24 H new ATOM 0 HG12 VAL A 1 3.205 -2.818 -0.088 1.00 1.24 H new ATOM 0 HG13 VAL A 1 2.936 -3.459 -1.727 1.00 1.24 H new ATOM 0 HG21 VAL A 1 5.621 -2.460 -2.873 1.00 33.03 H new ATOM 0 HG22 VAL A 1 4.062 -2.268 -3.710 1.00 33.03 H new ATOM 0 HG23 VAL A 1 5.076 -0.843 -3.378 1.00 33.03 H new ATOM 17 N ALA A 2 1.047 -2.238 -2.452 1.00 11.44 N ATOM 18 CA ALA A 2 0.106 -2.879 -3.362 1.00 1.22 C ATOM 19 C ALA A 2 -1.329 -2.719 -2.870 1.00 64.34 C ATOM 20 O ALA A 2 -1.671 -3.159 -1.773 1.00 33.22 O ATOM 21 CB ALA A 2 0.450 -4.352 -3.524 1.00 73.13 C ATOM 0 H ALA A 2 0.990 -2.565 -1.488 1.00 11.44 H new ATOM 0 HA ALA A 2 0.186 -2.390 -4.333 1.00 1.22 H new ATOM 0 HB1 ALA A 2 -0.261 -4.819 -4.206 1.00 73.13 H new ATOM 0 HB2 ALA A 2 1.458 -4.448 -3.928 1.00 73.13 H new ATOM 0 HB3 ALA A 2 0.400 -4.846 -2.554 1.00 73.13 H new ATOM 27 N ARG A 3 -2.163 -2.087 -3.689 1.00 61.23 N ATOM 28 CA ARG A 3 -3.560 -1.868 -3.336 1.00 74.15 C ATOM 29 C ARG A 3 -4.239 -3.182 -2.962 1.00 20.52 C ATOM 30 O ARG A 3 -5.167 -3.206 -2.155 1.00 55.31 O ATOM 31 CB ARG A 3 -4.305 -1.211 -4.500 1.00 12.32 C ATOM 32 CG ARG A 3 -4.752 -2.193 -5.570 1.00 30.31 C ATOM 33 CD ARG A 3 -4.865 -1.522 -6.930 1.00 34.41 C ATOM 34 NE ARG A 3 -6.170 -0.895 -7.124 1.00 2.25 N ATOM 35 CZ ARG A 3 -6.478 -0.152 -8.181 1.00 33.03 C ATOM 36 NH1 ARG A 3 -5.581 0.055 -9.135 1.00 22.54 N ATOM 37 NH2 ARG A 3 -7.687 0.386 -8.286 1.00 21.45 N ATOM 0 H ARG A 3 -1.895 -1.718 -4.601 1.00 61.23 H new ATOM 0 HA ARG A 3 -3.590 -1.204 -2.472 1.00 74.15 H new ATOM 0 HB2 ARG A 3 -5.179 -0.688 -4.112 1.00 12.32 H new ATOM 0 HB3 ARG A 3 -3.660 -0.460 -4.955 1.00 12.32 H new ATOM 0 HG2 ARG A 3 -4.042 -3.018 -5.628 1.00 30.31 H new ATOM 0 HG3 ARG A 3 -5.715 -2.621 -5.293 1.00 30.31 H new ATOM 0 HD2 ARG A 3 -4.083 -0.769 -7.029 1.00 34.41 H new ATOM 0 HD3 ARG A 3 -4.698 -2.261 -7.714 1.00 34.41 H new ATOM 0 HE ARG A 3 -6.884 -1.035 -6.409 1.00 2.25 H new ATOM 0 HH11 ARG A 3 -4.651 -0.357 -9.059 1.00 22.54 H new ATOM 0 HH12 ARG A 3 -5.821 0.626 -9.945 1.00 22.54 H new ATOM 0 HH21 ARG A 3 -8.380 0.229 -7.555 1.00 21.45 H new ATOM 0 HH22 ARG A 3 -7.923 0.956 -9.098 1.00 21.45 H new ATOM 51 N GLY A 4 -3.768 -4.276 -3.555 1.00 13.25 N ATOM 52 CA GLY A 4 -4.341 -5.578 -3.271 1.00 35.50 C ATOM 53 C GLY A 4 -3.398 -6.469 -2.488 1.00 65.30 C ATOM 54 O GLY A 4 -2.472 -7.053 -3.053 1.00 13.51 O ATOM 0 H GLY A 4 -3.000 -4.283 -4.226 1.00 13.25 H new ATOM 0 HA2 GLY A 4 -5.266 -5.449 -2.708 1.00 35.50 H new ATOM 0 HA3 GLY A 4 -4.604 -6.068 -4.208 1.00 35.50 H new ATOM 58 N TRP A 5 -3.630 -6.573 -1.185 1.00 21.44 N ATOM 59 CA TRP A 5 -2.791 -7.399 -0.323 1.00 12.55 C ATOM 60 C TRP A 5 -3.626 -8.443 0.410 1.00 23.23 C ATOM 61 O TRP A 5 -3.697 -9.600 -0.006 1.00 44.32 O ATOM 62 CB TRP A 5 -2.046 -6.524 0.687 1.00 44.13 C ATOM 63 CG TRP A 5 -0.756 -5.974 0.157 1.00 24.25 C ATOM 64 CD1 TRP A 5 -0.304 -4.690 0.270 1.00 33.10 C ATOM 65 CD2 TRP A 5 0.248 -6.692 -0.569 1.00 31.12 C ATOM 66 NE1 TRP A 5 0.919 -4.567 -0.343 1.00 4.53 N ATOM 67 CE2 TRP A 5 1.281 -5.781 -0.864 1.00 55.42 C ATOM 68 CE3 TRP A 5 0.376 -8.016 -0.997 1.00 32.25 C ATOM 69 CZ2 TRP A 5 2.423 -6.153 -1.568 1.00 53.31 C ATOM 70 CZ3 TRP A 5 1.510 -8.384 -1.695 1.00 51.14 C ATOM 71 CH2 TRP A 5 2.522 -7.456 -1.975 1.00 15.51 C ATOM 0 H TRP A 5 -4.391 -6.096 -0.702 1.00 21.44 H new ATOM 0 HA TRP A 5 -2.066 -7.916 -0.951 1.00 12.55 H new ATOM 0 HB2 TRP A 5 -2.690 -5.697 0.986 1.00 44.13 H new ATOM 0 HB3 TRP A 5 -1.842 -7.109 1.584 1.00 44.13 H new ATOM 0 HD1 TRP A 5 -0.831 -3.889 0.768 1.00 33.10 H new ATOM 0 HE1 TRP A 5 1.469 -3.710 -0.401 1.00 4.53 H new ATOM 0 HE3 TRP A 5 -0.398 -8.739 -0.786 1.00 32.25 H new ATOM 0 HZ2 TRP A 5 3.203 -5.439 -1.785 1.00 53.31 H new ATOM 0 HZ3 TRP A 5 1.618 -9.405 -2.031 1.00 51.14 H new ATOM 0 HH2 TRP A 5 3.397 -7.775 -2.522 1.00 15.51 H new ATOM 82 N LYS A 6 -4.257 -8.029 1.504 1.00 64.31 N ATOM 83 CA LYS A 6 -5.088 -8.929 2.295 1.00 52.13 C ATOM 84 C LYS A 6 -5.722 -10.000 1.413 1.00 52.11 C ATOM 85 O LYS A 6 -5.623 -11.193 1.701 1.00 42.24 O ATOM 86 CB LYS A 6 -6.180 -8.140 3.022 1.00 25.42 C ATOM 87 CG LYS A 6 -6.639 -6.903 2.271 1.00 53.02 C ATOM 88 CD LYS A 6 -7.789 -6.212 2.985 1.00 4.21 C ATOM 89 CE LYS A 6 -9.116 -6.897 2.698 1.00 1.11 C ATOM 90 NZ LYS A 6 -10.143 -5.934 2.213 1.00 75.40 N ATOM 0 H LYS A 6 -4.209 -7.075 1.863 1.00 64.31 H new ATOM 0 HA LYS A 6 -4.451 -9.420 3.031 1.00 52.13 H new ATOM 0 HB2 LYS A 6 -7.037 -8.792 3.189 1.00 25.42 H new ATOM 0 HB3 LYS A 6 -5.810 -7.843 4.003 1.00 25.42 H new ATOM 0 HG2 LYS A 6 -5.805 -6.209 2.167 1.00 53.02 H new ATOM 0 HG3 LYS A 6 -6.950 -7.182 1.264 1.00 53.02 H new ATOM 0 HD2 LYS A 6 -7.604 -6.211 4.059 1.00 4.21 H new ATOM 0 HD3 LYS A 6 -7.841 -5.170 2.670 1.00 4.21 H new ATOM 0 HE2 LYS A 6 -8.968 -7.677 1.951 1.00 1.11 H new ATOM 0 HE3 LYS A 6 -9.476 -7.386 3.603 1.00 1.11 H new ATOM 0 HZ1 LYS A 6 -11.033 -6.439 2.029 1.00 75.40 H new ATOM 0 HZ2 LYS A 6 -10.303 -5.204 2.936 1.00 75.40 H new ATOM 0 HZ3 LYS A 6 -9.811 -5.486 1.335 1.00 75.40 H new ATOM 104 N ARG A 7 -6.372 -9.566 0.338 1.00 73.31 N ATOM 105 CA ARG A 7 -7.022 -10.489 -0.586 1.00 1.53 C ATOM 106 C ARG A 7 -5.995 -11.173 -1.483 1.00 41.42 C ATOM 107 O ARG A 7 -5.629 -12.327 -1.259 1.00 40.42 O ATOM 108 CB ARG A 7 -8.050 -9.747 -1.442 1.00 43.41 C ATOM 109 CG ARG A 7 -8.683 -10.612 -2.519 1.00 51.23 C ATOM 110 CD ARG A 7 -9.322 -11.859 -1.928 1.00 50.32 C ATOM 111 NE ARG A 7 -10.685 -12.058 -2.414 1.00 22.21 N ATOM 112 CZ ARG A 7 -11.729 -11.362 -1.979 1.00 33.21 C ATOM 113 NH1 ARG A 7 -11.568 -10.426 -1.054 1.00 44.01 N ATOM 114 NH2 ARG A 7 -12.939 -11.602 -2.469 1.00 44.25 N ATOM 0 H ARG A 7 -6.463 -8.582 0.085 1.00 73.31 H new ATOM 0 HA ARG A 7 -7.532 -11.253 0.001 1.00 1.53 H new ATOM 0 HB2 ARG A 7 -8.835 -9.355 -0.795 1.00 43.41 H new ATOM 0 HB3 ARG A 7 -7.568 -8.890 -1.913 1.00 43.41 H new ATOM 0 HG2 ARG A 7 -9.437 -10.035 -3.055 1.00 51.23 H new ATOM 0 HG3 ARG A 7 -7.925 -10.901 -3.247 1.00 51.23 H new ATOM 0 HD2 ARG A 7 -8.717 -12.730 -2.179 1.00 50.32 H new ATOM 0 HD3 ARG A 7 -9.333 -11.781 -0.841 1.00 50.32 H new ATOM 0 HE ARG A 7 -10.844 -12.771 -3.126 1.00 22.21 H new ATOM 0 HH11 ARG A 7 -10.640 -10.239 -0.674 1.00 44.01 H new ATOM 0 HH12 ARG A 7 -12.372 -9.893 -0.722 1.00 44.01 H new ATOM 0 HH21 ARG A 7 -13.068 -12.322 -3.180 1.00 44.25 H new ATOM 0 HH22 ARG A 7 -13.740 -11.067 -2.134 1.00 44.25 H new ATOM 128 N LYS A 8 -5.534 -10.453 -2.501 1.00 24.24 N ATOM 129 CA LYS A 8 -4.548 -10.989 -3.432 1.00 54.15 C ATOM 130 C LYS A 8 -3.136 -10.844 -2.874 1.00 53.12 C ATOM 131 O LYS A 8 -2.679 -9.734 -2.598 1.00 21.22 O ATOM 132 CB LYS A 8 -4.651 -10.274 -4.782 1.00 3.13 C ATOM 133 CG LYS A 8 -4.719 -8.761 -4.665 1.00 32.13 C ATOM 134 CD LYS A 8 -4.276 -8.082 -5.950 1.00 10.24 C ATOM 135 CE LYS A 8 -2.760 -7.993 -6.039 1.00 72.11 C ATOM 136 NZ LYS A 8 -2.303 -7.690 -7.423 1.00 51.35 N ATOM 0 H LYS A 8 -5.828 -9.497 -2.702 1.00 24.24 H new ATOM 0 HA LYS A 8 -4.756 -12.050 -3.572 1.00 54.15 H new ATOM 0 HB2 LYS A 8 -3.790 -10.544 -5.394 1.00 3.13 H new ATOM 0 HB3 LYS A 8 -5.538 -10.630 -5.305 1.00 3.13 H new ATOM 0 HG2 LYS A 8 -5.739 -8.459 -4.426 1.00 32.13 H new ATOM 0 HG3 LYS A 8 -4.087 -8.430 -3.841 1.00 32.13 H new ATOM 0 HD2 LYS A 8 -4.660 -8.636 -6.807 1.00 10.24 H new ATOM 0 HD3 LYS A 8 -4.704 -7.081 -6.000 1.00 10.24 H new ATOM 0 HE2 LYS A 8 -2.401 -7.219 -5.360 1.00 72.11 H new ATOM 0 HE3 LYS A 8 -2.321 -8.935 -5.709 1.00 72.11 H new ATOM 0 HZ1 LYS A 8 -1.264 -7.638 -7.442 1.00 51.35 H new ATOM 0 HZ2 LYS A 8 -2.624 -8.441 -8.067 1.00 51.35 H new ATOM 0 HZ3 LYS A 8 -2.701 -6.779 -7.728 1.00 51.35 H new ATOM 150 N CYS A 9 -2.451 -11.970 -2.712 1.00 63.03 N ATOM 151 CA CYS A 9 -1.090 -11.968 -2.188 1.00 3.25 C ATOM 152 C CYS A 9 -0.105 -12.490 -3.228 1.00 61.34 C ATOM 153 O CYS A 9 0.348 -13.634 -3.172 1.00 13.13 O ATOM 154 CB CYS A 9 -1.009 -12.818 -0.919 1.00 23.20 C ATOM 155 SG CYS A 9 -1.752 -14.458 -1.081 1.00 35.31 S ATOM 0 H CYS A 9 -2.815 -12.896 -2.936 1.00 63.03 H new ATOM 0 HA CYS A 9 -0.822 -10.940 -1.946 1.00 3.25 H new ATOM 0 HB2 CYS A 9 0.038 -12.931 -0.637 1.00 23.20 H new ATOM 0 HB3 CYS A 9 -1.503 -12.286 -0.106 1.00 23.20 H new ATOM 0 HG CYS A 9 -1.267 -15.053 -2.130 1.00 35.31 H new ATOM 161 N PRO A 10 0.235 -11.635 -4.204 1.00 12.31 N ATOM 162 CA PRO A 10 1.169 -11.988 -5.277 1.00 74.22 C ATOM 163 C PRO A 10 2.600 -12.136 -4.774 1.00 65.54 C ATOM 164 O PRO A 10 3.298 -13.088 -5.127 1.00 71.54 O ATOM 165 CB PRO A 10 1.061 -10.807 -6.244 1.00 40.43 C ATOM 166 CG PRO A 10 0.616 -9.664 -5.398 1.00 74.14 C ATOM 167 CD PRO A 10 -0.266 -10.256 -4.334 1.00 30.12 C ATOM 0 HA PRO A 10 0.926 -12.950 -5.729 1.00 74.22 H new ATOM 0 HB2 PRO A 10 2.018 -10.597 -6.721 1.00 40.43 H new ATOM 0 HB3 PRO A 10 0.346 -11.012 -7.041 1.00 40.43 H new ATOM 0 HG2 PRO A 10 1.470 -9.150 -4.956 1.00 74.14 H new ATOM 0 HG3 PRO A 10 0.073 -8.928 -5.991 1.00 74.14 H new ATOM 0 HD2 PRO A 10 -0.185 -9.709 -3.395 1.00 30.12 H new ATOM 0 HD3 PRO A 10 -1.316 -10.236 -4.625 1.00 30.12 H new ATOM 175 N LEU A 11 3.033 -11.190 -3.948 1.00 64.45 N ATOM 176 CA LEU A 11 4.383 -11.216 -3.396 1.00 64.11 C ATOM 177 C LEU A 11 4.348 -11.381 -1.880 1.00 63.01 C ATOM 178 O LEU A 11 4.563 -12.476 -1.359 1.00 51.21 O ATOM 179 CB LEU A 11 5.131 -9.933 -3.764 1.00 14.02 C ATOM 180 CG LEU A 11 4.345 -8.911 -4.587 1.00 21.23 C ATOM 181 CD1 LEU A 11 5.015 -7.547 -4.525 1.00 22.42 C ATOM 182 CD2 LEU A 11 4.212 -9.377 -6.029 1.00 60.12 C ATOM 0 H LEU A 11 2.469 -10.396 -3.646 1.00 64.45 H new ATOM 0 HA LEU A 11 4.908 -12.070 -3.824 1.00 64.11 H new ATOM 0 HB2 LEU A 11 5.461 -9.452 -2.843 1.00 14.02 H new ATOM 0 HB3 LEU A 11 6.028 -10.206 -4.321 1.00 14.02 H new ATOM 0 HG LEU A 11 3.345 -8.821 -4.161 1.00 21.23 H new ATOM 0 HD11 LEU A 11 4.442 -6.833 -5.116 1.00 22.42 H new ATOM 0 HD12 LEU A 11 5.058 -7.209 -3.490 1.00 22.42 H new ATOM 0 HD13 LEU A 11 6.026 -7.620 -4.925 1.00 22.42 H new ATOM 0 HD21 LEU A 11 3.650 -8.638 -6.600 1.00 60.12 H new ATOM 0 HD22 LEU A 11 5.204 -9.496 -6.466 1.00 60.12 H new ATOM 0 HD23 LEU A 11 3.687 -10.332 -6.056 1.00 60.12 H new ATOM 194 N PHE A 12 4.074 -10.287 -1.177 1.00 45.03 N ATOM 195 CA PHE A 12 4.010 -10.310 0.279 1.00 32.44 C ATOM 196 C PHE A 12 2.648 -9.829 0.771 1.00 11.11 C ATOM 197 O PHE A 12 2.450 -8.640 1.019 1.00 32.41 O ATOM 198 CB PHE A 12 5.117 -9.438 0.874 1.00 0.13 C ATOM 199 CG PHE A 12 5.714 -8.473 -0.110 1.00 13.21 C ATOM 200 CD1 PHE A 12 5.128 -7.237 -0.330 1.00 41.42 C ATOM 201 CD2 PHE A 12 6.860 -8.802 -0.815 1.00 60.22 C ATOM 202 CE1 PHE A 12 5.675 -6.346 -1.235 1.00 31.01 C ATOM 203 CE2 PHE A 12 7.411 -7.916 -1.721 1.00 5.43 C ATOM 204 CZ PHE A 12 6.818 -6.687 -1.932 1.00 15.42 C ATOM 0 H PHE A 12 3.893 -9.373 -1.593 1.00 45.03 H new ATOM 0 HA PHE A 12 4.153 -11.339 0.607 1.00 32.44 H new ATOM 0 HB2 PHE A 12 4.714 -8.880 1.719 1.00 0.13 H new ATOM 0 HB3 PHE A 12 5.906 -10.082 1.264 1.00 0.13 H new ATOM 0 HD1 PHE A 12 4.234 -6.966 0.212 1.00 41.42 H new ATOM 0 HD2 PHE A 12 7.328 -9.762 -0.655 1.00 60.22 H new ATOM 0 HE1 PHE A 12 5.209 -5.385 -1.397 1.00 31.01 H new ATOM 0 HE2 PHE A 12 8.305 -8.185 -2.264 1.00 5.43 H new ATOM 0 HZ PHE A 12 7.247 -5.994 -2.640 1.00 15.42 H new ATOM 214 N GLY A 13 1.711 -10.762 0.909 1.00 21.51 N ATOM 215 CA GLY A 13 0.380 -10.415 1.370 1.00 55.24 C ATOM 216 C GLY A 13 0.195 -10.666 2.853 1.00 1.21 C ATOM 217 O GLY A 13 -0.877 -10.416 3.404 1.00 30.15 O ATOM 0 H GLY A 13 1.850 -11.753 0.710 1.00 21.51 H new ATOM 0 HA2 GLY A 13 0.188 -9.364 1.156 1.00 55.24 H new ATOM 0 HA3 GLY A 13 -0.356 -10.994 0.812 1.00 55.24 H new ATOM 221 N LYS A 14 1.243 -11.163 3.502 1.00 35.10 N ATOM 222 CA LYS A 14 1.193 -11.449 4.931 1.00 74.21 C ATOM 223 C LYS A 14 0.997 -10.168 5.736 1.00 74.43 C ATOM 224 O LYS A 14 0.212 -10.133 6.683 1.00 41.23 O ATOM 225 CB LYS A 14 2.477 -12.153 5.376 1.00 13.53 C ATOM 226 CG LYS A 14 3.740 -11.377 5.048 1.00 45.42 C ATOM 227 CD LYS A 14 4.236 -10.585 6.246 1.00 1.04 C ATOM 228 CE LYS A 14 4.843 -9.256 5.824 1.00 13.41 C ATOM 229 NZ LYS A 14 6.263 -9.403 5.402 1.00 61.22 N ATOM 0 H LYS A 14 2.138 -11.376 3.061 1.00 35.10 H new ATOM 0 HA LYS A 14 0.343 -12.106 5.115 1.00 74.21 H new ATOM 0 HB2 LYS A 14 2.434 -12.323 6.452 1.00 13.53 H new ATOM 0 HB3 LYS A 14 2.528 -13.132 4.900 1.00 13.53 H new ATOM 0 HG2 LYS A 14 4.517 -12.067 4.720 1.00 45.42 H new ATOM 0 HG3 LYS A 14 3.546 -10.698 4.217 1.00 45.42 H new ATOM 0 HD2 LYS A 14 3.409 -10.406 6.933 1.00 1.04 H new ATOM 0 HD3 LYS A 14 4.979 -11.170 6.788 1.00 1.04 H new ATOM 0 HE2 LYS A 14 4.262 -8.836 5.003 1.00 13.41 H new ATOM 0 HE3 LYS A 14 4.782 -8.550 6.652 1.00 13.41 H new ATOM 0 HZ1 LYS A 14 6.640 -8.475 5.122 1.00 61.22 H new ATOM 0 HZ2 LYS A 14 6.823 -9.780 6.193 1.00 61.22 H new ATOM 0 HZ3 LYS A 14 6.320 -10.057 4.595 1.00 61.22 H new ATOM 243 N GLY A 15 1.714 -9.117 5.351 1.00 24.22 N ATOM 244 CA GLY A 15 1.603 -7.849 6.047 1.00 5.51 C ATOM 245 C GLY A 15 1.146 -6.726 5.137 1.00 43.02 C ATOM 246 O GLY A 15 0.516 -5.770 5.587 1.00 72.22 O ATOM 0 H GLY A 15 2.370 -9.121 4.570 1.00 24.22 H new ATOM 0 HA2 GLY A 15 0.900 -7.952 6.873 1.00 5.51 H new ATOM 0 HA3 GLY A 15 2.569 -7.591 6.481 1.00 5.51 H new ATOM 250 N GLY A 16 1.466 -6.841 3.851 1.00 4.44 N ATOM 251 CA GLY A 16 1.078 -5.819 2.896 1.00 31.42 C ATOM 252 C GLY A 16 1.475 -4.427 3.343 1.00 45.51 C ATOM 253 O GLY A 16 2.660 -4.094 3.381 1.00 61.23 O ATOM 0 H GLY A 16 1.987 -7.623 3.454 1.00 4.44 H new ATOM 0 HA2 GLY A 16 1.540 -6.033 1.932 1.00 31.42 H new ATOM 0 HA3 GLY A 16 -0.001 -5.856 2.748 1.00 31.42 H new TER 257 GLY A 16