USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 142 hydrogens (9 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 NoAdj-H: A 1 PTL H1 : A 1 PTL C1 : A 2 VAL N :(H bumps) USER MOD Single : A 7 LYS NZ :NH3+ -143:sc= 0.594 (180deg=0.0678) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C1 PTL A 1 3.076 -1.514 -0.461 1.00 4.11 C HETATM 2 O1 PTL A 1 3.024 -2.560 0.185 1.00 12.20 O HETATM 3 C2 PTL A 1 2.493 -0.220 0.098 1.00 52.33 C HETATM 4 C3 PTL A 1 3.512 0.913 -0.038 1.00 5.34 C HETATM 5 C4 PTL A 1 3.038 2.232 0.553 1.00 71.21 C HETATM 6 C5 PTL A 1 4.126 2.934 1.387 1.00 51.14 C HETATM 0 H53 PTL A 1 4.426 2.287 2.212 1.00 51.14 H new HETATM 0 H52 PTL A 1 4.990 3.142 0.756 1.00 51.14 H new HETATM 0 H51 PTL A 1 3.733 3.870 1.784 1.00 51.14 H new HETATM 0 H42 PTL A 1 2.720 2.893 -0.253 1.00 71.21 H new HETATM 0 H41 PTL A 1 2.165 2.052 1.180 1.00 71.21 H new HETATM 0 H32 PTL A 1 4.439 0.617 0.452 1.00 5.34 H new HETATM 0 H31 PTL A 1 3.742 1.059 -1.093 1.00 5.34 H new HETATM 0 H22 PTL A 1 1.578 0.037 -0.435 1.00 52.33 H new HETATM 0 H21 PTL A 1 2.224 -0.355 1.146 1.00 52.33 H new ATOM 16 N VAL A 2 3.634 -1.435 -1.665 1.00 64.22 N ATOM 17 CA VAL A 2 4.228 -2.600 -2.310 1.00 24.35 C ATOM 18 C VAL A 2 5.689 -2.766 -1.905 1.00 73.02 C ATOM 19 O VAL A 2 6.287 -3.820 -2.119 1.00 62.25 O ATOM 20 CB VAL A 2 4.141 -2.499 -3.844 1.00 13.31 C ATOM 21 CG1 VAL A 2 4.753 -3.728 -4.497 1.00 31.33 C ATOM 22 CG2 VAL A 2 2.695 -2.315 -4.283 1.00 63.54 C ATOM 0 HA VAL A 2 3.660 -3.469 -1.978 1.00 24.35 H new ATOM 0 HB VAL A 2 4.710 -1.627 -4.166 1.00 13.31 H new ATOM 0 HG11 VAL A 2 4.682 -3.638 -5.581 1.00 31.33 H new ATOM 0 HG12 VAL A 2 5.801 -3.810 -4.208 1.00 31.33 H new ATOM 0 HG13 VAL A 2 4.216 -4.619 -4.171 1.00 31.33 H new ATOM 0 HG21 VAL A 2 2.651 -2.245 -5.370 1.00 63.54 H new ATOM 0 HG22 VAL A 2 2.102 -3.167 -3.950 1.00 63.54 H new ATOM 0 HG23 VAL A 2 2.295 -1.401 -3.844 1.00 63.54 H new ATOM 32 N ALA A 3 6.258 -1.718 -1.319 1.00 51.54 N ATOM 33 CA ALA A 3 7.648 -1.748 -0.883 1.00 21.33 C ATOM 34 C ALA A 3 7.836 -2.710 0.287 1.00 40.53 C ATOM 35 O ALA A 3 8.913 -3.274 0.472 1.00 20.11 O ATOM 36 CB ALA A 3 8.112 -0.351 -0.499 1.00 0.34 C ATOM 0 H ALA A 3 5.777 -0.837 -1.135 1.00 51.54 H new ATOM 0 HA ALA A 3 8.256 -2.105 -1.715 1.00 21.33 H new ATOM 0 HB1 ALA A 3 9.152 -0.389 -0.175 1.00 0.34 H new ATOM 0 HB2 ALA A 3 8.024 0.311 -1.360 1.00 0.34 H new ATOM 0 HB3 ALA A 3 7.493 0.027 0.314 1.00 0.34 H new ATOM 42 N ARG A 4 6.779 -2.891 1.073 1.00 45.50 N ATOM 43 CA ARG A 4 6.828 -3.782 2.225 1.00 0.22 C ATOM 44 C ARG A 4 7.369 -5.152 1.830 1.00 42.24 C ATOM 45 O ARG A 4 8.014 -5.831 2.628 1.00 35.41 O ATOM 46 CB ARG A 4 5.436 -3.929 2.842 1.00 31.53 C ATOM 47 CG ARG A 4 5.077 -2.813 3.810 1.00 71.13 C ATOM 48 CD ARG A 4 3.836 -2.061 3.355 1.00 53.14 C ATOM 49 NE ARG A 4 3.065 -1.546 4.483 1.00 14.23 N ATOM 50 CZ ARG A 4 2.337 -2.314 5.287 1.00 21.13 C ATOM 51 NH1 ARG A 4 2.284 -3.624 5.090 1.00 1.22 N1+ ATOM 52 NH2 ARG A 4 1.663 -1.771 6.293 1.00 54.10 N1+ ATOM 0 H ARG A 4 5.879 -2.432 0.932 1.00 45.50 H new ATOM 0 HA ARG A 4 7.500 -3.345 2.963 1.00 0.22 H new ATOM 0 HB2 ARG A 4 4.695 -3.958 2.043 1.00 31.53 H new ATOM 0 HB3 ARG A 4 5.379 -4.884 3.364 1.00 31.53 H new ATOM 0 HG2 ARG A 4 4.908 -3.231 4.802 1.00 71.13 H new ATOM 0 HG3 ARG A 4 5.914 -2.120 3.895 1.00 71.13 H new ATOM 0 HD2 ARG A 4 4.130 -1.234 2.709 1.00 53.14 H new ATOM 0 HD3 ARG A 4 3.208 -2.724 2.759 1.00 53.14 H new ATOM 0 HE ARG A 4 3.086 -0.542 4.664 1.00 14.23 H new ATOM 0 HH11 ARG A 4 2.803 -4.045 4.320 1.00 1.22 H new ATOM 0 HH12 ARG A 4 1.724 -4.211 5.709 1.00 1.22 H new ATOM 0 HH21 ARG A 4 1.704 -0.764 6.449 1.00 54.10 H new ATOM 0 HH22 ARG A 4 1.104 -2.361 6.910 1.00 54.10 H new ATOM 66 N GLY A 5 7.103 -5.553 0.590 1.00 35.13 N ATOM 67 CA GLY A 5 7.569 -6.841 0.111 1.00 72.44 C ATOM 68 C GLY A 5 8.468 -6.716 -1.103 1.00 73.51 C ATOM 69 O GLY A 5 9.120 -7.682 -1.502 1.00 3.42 O ATOM 0 H GLY A 5 6.573 -5.009 -0.091 1.00 35.13 H new ATOM 0 HA2 GLY A 5 8.110 -7.348 0.910 1.00 72.44 H new ATOM 0 HA3 GLY A 5 6.711 -7.465 -0.139 1.00 72.44 H new ATOM 73 N TRP A 6 8.502 -5.527 -1.692 1.00 44.45 N ATOM 74 CA TRP A 6 9.327 -5.280 -2.870 1.00 35.41 C ATOM 75 C TRP A 6 10.717 -4.799 -2.469 1.00 2.53 C ATOM 76 O TRP A 6 11.721 -5.434 -2.788 1.00 62.30 O ATOM 77 CB TRP A 6 8.658 -4.248 -3.779 1.00 73.33 C ATOM 78 CG TRP A 6 9.551 -3.759 -4.880 1.00 32.34 C ATOM 79 CD1 TRP A 6 9.589 -2.499 -5.405 1.00 21.34 C ATOM 80 CD2 TRP A 6 10.532 -4.522 -5.590 1.00 42.30 C ATOM 81 NE1 TRP A 6 10.535 -2.433 -6.398 1.00 40.03 N ATOM 82 CE2 TRP A 6 11.129 -3.660 -6.531 1.00 14.21 C ATOM 83 CE3 TRP A 6 10.966 -5.848 -5.521 1.00 24.11 C ATOM 84 CZ2 TRP A 6 12.134 -4.084 -7.395 1.00 50.14 C ATOM 85 CZ3 TRP A 6 11.965 -6.268 -6.380 1.00 11.41 C ATOM 86 CH2 TRP A 6 12.541 -5.388 -7.306 1.00 52.54 C ATOM 0 H TRP A 6 7.968 -4.718 -1.374 1.00 44.45 H new ATOM 0 HA TRP A 6 9.431 -6.219 -3.414 1.00 35.41 H new ATOM 0 HB2 TRP A 6 7.761 -4.687 -4.216 1.00 73.33 H new ATOM 0 HB3 TRP A 6 8.337 -3.398 -3.177 1.00 73.33 H new ATOM 0 HD1 TRP A 6 8.967 -1.676 -5.086 1.00 21.34 H new ATOM 0 HE1 TRP A 6 10.759 -1.604 -6.948 1.00 40.03 H new ATOM 0 HE3 TRP A 6 10.529 -6.533 -4.809 1.00 24.11 H new ATOM 0 HZ2 TRP A 6 12.577 -3.408 -8.111 1.00 50.14 H new ATOM 0 HZ3 TRP A 6 12.307 -7.291 -6.336 1.00 11.41 H new ATOM 0 HH2 TRP A 6 13.321 -5.745 -7.962 1.00 52.54 H new ATOM 97 N LYS A 7 10.767 -3.670 -1.768 1.00 43.03 N ATOM 98 CA LYS A 7 12.035 -3.102 -1.323 1.00 32.21 C ATOM 99 C LYS A 7 12.071 -2.980 0.197 1.00 51.41 C ATOM 100 O LYS A 7 12.462 -3.916 0.896 1.00 51.42 O ATOM 101 CB LYS A 7 12.255 -1.729 -1.961 1.00 35.41 C ATOM 102 CG LYS A 7 12.620 -1.795 -3.434 1.00 21.22 C ATOM 103 CD LYS A 7 13.778 -2.747 -3.678 1.00 63.45 C ATOM 104 CE LYS A 7 14.331 -2.602 -5.088 1.00 42.42 C ATOM 105 NZ LYS A 7 15.005 -3.847 -5.552 1.00 12.42 N1+ ATOM 0 H LYS A 7 9.945 -3.131 -1.496 1.00 43.03 H new ATOM 0 HA LYS A 7 12.835 -3.773 -1.636 1.00 32.21 H new ATOM 0 HB2 LYS A 7 11.349 -1.135 -1.846 1.00 35.41 H new ATOM 0 HB3 LYS A 7 13.047 -1.210 -1.422 1.00 35.41 H new ATOM 0 HG2 LYS A 7 11.754 -2.119 -4.011 1.00 21.22 H new ATOM 0 HG3 LYS A 7 12.885 -0.799 -3.789 1.00 21.22 H new ATOM 0 HD2 LYS A 7 14.569 -2.552 -2.954 1.00 63.45 H new ATOM 0 HD3 LYS A 7 13.446 -3.773 -3.520 1.00 63.45 H new ATOM 0 HE2 LYS A 7 13.520 -2.352 -5.772 1.00 42.42 H new ATOM 0 HE3 LYS A 7 15.039 -1.774 -5.117 1.00 42.42 H new ATOM 0 HZ1 LYS A 7 15.838 -3.599 -6.123 1.00 12.42 H new ATOM 0 HZ2 LYS A 7 15.305 -4.407 -4.729 1.00 12.42 H new ATOM 0 HZ3 LYS A 7 14.344 -4.406 -6.128 1.00 12.42 H new ATOM 119 N ARG A 8 11.660 -1.822 0.703 1.00 64.32 N ATOM 120 CA ARG A 8 11.646 -1.578 2.140 1.00 11.54 C ATOM 121 C ARG A 8 10.238 -1.236 2.620 1.00 44.24 C ATOM 122 O ARG A 8 9.393 -2.117 2.777 1.00 75.34 O ATOM 123 CB ARG A 8 12.606 -0.442 2.496 1.00 65.11 C ATOM 124 CG ARG A 8 14.070 -0.851 2.468 1.00 64.31 C ATOM 125 CD ARG A 8 14.985 0.358 2.349 1.00 71.03 C ATOM 126 NE ARG A 8 16.372 0.029 2.667 1.00 54.21 N ATOM 127 CZ ARG A 8 17.185 -0.610 1.833 1.00 44.42 C ATOM 128 NH1 ARG A 8 16.753 -0.984 0.637 1.00 23.43 N1+ ATOM 129 NH2 ARG A 8 18.435 -0.873 2.195 1.00 52.34 N1+ ATOM 0 H ARG A 8 11.332 -1.038 0.139 1.00 64.32 H new ATOM 0 HA ARG A 8 11.971 -2.490 2.640 1.00 11.54 H new ATOM 0 HB2 ARG A 8 12.454 0.382 1.799 1.00 65.11 H new ATOM 0 HB3 ARG A 8 12.361 -0.068 3.490 1.00 65.11 H new ATOM 0 HG2 ARG A 8 14.312 -1.403 3.376 1.00 64.31 H new ATOM 0 HG3 ARG A 8 14.245 -1.525 1.629 1.00 64.31 H new ATOM 0 HD2 ARG A 8 14.930 0.756 1.336 1.00 71.03 H new ATOM 0 HD3 ARG A 8 14.636 1.144 3.019 1.00 71.03 H new ATOM 0 HE ARG A 8 16.736 0.305 3.579 1.00 54.21 H new ATOM 0 HH11 ARG A 8 15.794 -0.781 0.355 1.00 23.43 H new ATOM 0 HH12 ARG A 8 17.380 -1.474 -0.001 1.00 23.43 H new ATOM 0 HH21 ARG A 8 18.771 -0.584 3.114 1.00 52.34 H new ATOM 0 HH22 ARG A 8 19.059 -1.364 1.554 1.00 52.34 H new ATOM 143 N LYS A 9 9.993 0.050 2.850 1.00 33.51 N ATOM 144 CA LYS A 9 8.688 0.509 3.311 1.00 5.11 C ATOM 145 C LYS A 9 8.105 1.542 2.352 1.00 25.03 C ATOM 146 O LYS A 9 7.160 1.256 1.616 1.00 70.52 O ATOM 147 CB LYS A 9 8.802 1.108 4.714 1.00 33.24 C ATOM 148 CG LYS A 9 9.106 0.081 5.792 1.00 72.23 C ATOM 149 CD LYS A 9 10.031 0.646 6.856 1.00 61.44 C ATOM 150 CE LYS A 9 10.651 -0.458 7.700 1.00 53.14 C ATOM 151 NZ LYS A 9 11.964 -0.050 8.269 1.00 33.11 N1+ ATOM 0 H LYS A 9 10.681 0.792 2.725 1.00 33.51 H new ATOM 0 HA LYS A 9 8.019 -0.351 3.343 1.00 5.11 H new ATOM 0 HB2 LYS A 9 9.586 1.865 4.714 1.00 33.24 H new ATOM 0 HB3 LYS A 9 7.869 1.615 4.960 1.00 33.24 H new ATOM 0 HG2 LYS A 9 8.176 -0.248 6.255 1.00 72.23 H new ATOM 0 HG3 LYS A 9 9.565 -0.798 5.339 1.00 72.23 H new ATOM 0 HD2 LYS A 9 10.820 1.229 6.381 1.00 61.44 H new ATOM 0 HD3 LYS A 9 9.474 1.328 7.499 1.00 61.44 H new ATOM 0 HE2 LYS A 9 9.971 -0.722 8.510 1.00 53.14 H new ATOM 0 HE3 LYS A 9 10.782 -1.352 7.090 1.00 53.14 H new ATOM 0 HZ1 LYS A 9 12.353 -0.829 8.837 1.00 33.11 H new ATOM 0 HZ2 LYS A 9 12.622 0.177 7.496 1.00 33.11 H new ATOM 0 HZ3 LYS A 9 11.836 0.788 8.872 1.00 33.11 H new ATOM 165 N CYS A 10 8.676 2.742 2.365 1.00 55.35 N ATOM 166 CA CYS A 10 8.212 3.817 1.495 1.00 44.54 C ATOM 167 C CYS A 10 8.681 3.597 0.060 1.00 21.21 C ATOM 168 O CYS A 10 7.883 3.419 -0.860 1.00 13.34 O ATOM 169 CB CYS A 10 8.716 5.168 2.006 1.00 10.01 C ATOM 170 SG CYS A 10 7.416 6.241 2.661 1.00 64.43 S ATOM 0 H CYS A 10 9.460 2.994 2.967 1.00 55.35 H new ATOM 0 HA CYS A 10 7.122 3.815 1.507 1.00 44.54 H new ATOM 0 HB2 CYS A 10 9.457 4.996 2.786 1.00 10.01 H new ATOM 0 HB3 CYS A 10 9.224 5.686 1.192 1.00 10.01 H new ATOM 0 HG CYS A 10 7.940 7.358 3.070 1.00 64.43 H new ATOM 176 N PRO A 11 10.008 3.608 -0.137 1.00 63.10 N ATOM 177 CA PRO A 11 10.614 3.412 -1.458 1.00 50.11 C ATOM 178 C PRO A 11 10.453 1.982 -1.963 1.00 13.22 C ATOM 179 O PRO A 11 10.885 1.031 -1.311 1.00 74.23 O ATOM 180 CB PRO A 11 12.092 3.732 -1.221 1.00 53.23 C ATOM 181 CG PRO A 11 12.310 3.463 0.227 1.00 65.31 C ATOM 182 CD PRO A 11 11.019 3.814 0.913 1.00 50.42 C ATOM 0 HA PRO A 11 10.145 4.036 -2.218 1.00 50.11 H new ATOM 0 HB2 PRO A 11 12.736 3.109 -1.841 1.00 53.23 H new ATOM 0 HB3 PRO A 11 12.317 4.769 -1.469 1.00 53.23 H new ATOM 0 HG2 PRO A 11 12.569 2.418 0.395 1.00 65.31 H new ATOM 0 HG3 PRO A 11 13.134 4.062 0.615 1.00 65.31 H new ATOM 0 HD2 PRO A 11 10.837 3.175 1.777 1.00 50.42 H new ATOM 0 HD3 PRO A 11 11.022 4.843 1.272 1.00 50.42 H new ATOM 190 N LEU A 12 9.829 1.837 -3.127 1.00 21.12 N ATOM 191 CA LEU A 12 9.612 0.522 -3.720 1.00 52.43 C ATOM 192 C LEU A 12 10.241 0.439 -5.107 1.00 22.21 C ATOM 193 O LEU A 12 11.359 -0.054 -5.264 1.00 54.15 O ATOM 194 CB LEU A 12 8.114 0.222 -3.808 1.00 42.43 C ATOM 195 CG LEU A 12 7.178 1.346 -3.364 1.00 54.12 C ATOM 196 CD1 LEU A 12 7.072 2.411 -4.445 1.00 32.21 C ATOM 197 CD2 LEU A 12 5.802 0.790 -3.024 1.00 1.44 C ATOM 0 H LEU A 12 9.465 2.614 -3.679 1.00 21.12 H new ATOM 0 HA LEU A 12 10.089 -0.221 -3.081 1.00 52.43 H new ATOM 0 HB2 LEU A 12 7.875 -0.036 -4.840 1.00 42.43 H new ATOM 0 HB3 LEU A 12 7.904 -0.659 -3.202 1.00 42.43 H new ATOM 0 HG LEU A 12 7.594 1.807 -2.468 1.00 54.12 H new ATOM 0 HD11 LEU A 12 6.402 3.203 -4.111 1.00 32.21 H new ATOM 0 HD12 LEU A 12 8.059 2.830 -4.641 1.00 32.21 H new ATOM 0 HD13 LEU A 12 6.679 1.964 -5.358 1.00 32.21 H new ATOM 0 HD21 LEU A 12 5.148 1.604 -2.710 1.00 1.44 H new ATOM 0 HD22 LEU A 12 5.379 0.303 -3.903 1.00 1.44 H new ATOM 0 HD23 LEU A 12 5.892 0.064 -2.216 1.00 1.44 H new ATOM 209 N PHE A 13 9.518 0.927 -6.109 1.00 1.33 N ATOM 210 CA PHE A 13 10.007 0.910 -7.483 1.00 73.25 C ATOM 211 C PHE A 13 10.540 2.280 -7.889 1.00 12.24 C ATOM 212 O PHE A 13 11.516 2.771 -7.324 1.00 10.44 O ATOM 213 CB PHE A 13 8.890 0.481 -8.438 1.00 22.10 C ATOM 214 CG PHE A 13 8.163 -0.756 -7.992 1.00 44.33 C ATOM 215 CD1 PHE A 13 7.176 -0.683 -7.023 1.00 14.13 C ATOM 216 CD2 PHE A 13 8.466 -1.991 -8.544 1.00 2.02 C ATOM 217 CE1 PHE A 13 6.504 -1.819 -6.611 1.00 75.41 C ATOM 218 CE2 PHE A 13 7.797 -3.130 -8.136 1.00 45.42 C ATOM 219 CZ PHE A 13 6.816 -3.044 -7.168 1.00 12.10 C ATOM 0 H PHE A 13 8.592 1.339 -5.996 1.00 1.33 H new ATOM 0 HA PHE A 13 10.824 0.191 -7.542 1.00 73.25 H new ATOM 0 HB2 PHE A 13 8.175 1.297 -8.538 1.00 22.10 H new ATOM 0 HB3 PHE A 13 9.315 0.307 -9.427 1.00 22.10 H new ATOM 0 HD1 PHE A 13 6.928 0.272 -6.584 1.00 14.13 H new ATOM 0 HD2 PHE A 13 9.233 -2.064 -9.301 1.00 2.02 H new ATOM 0 HE1 PHE A 13 5.736 -1.749 -5.855 1.00 75.41 H new ATOM 0 HE2 PHE A 13 8.041 -4.086 -8.574 1.00 45.42 H new ATOM 0 HZ PHE A 13 6.294 -3.933 -6.847 1.00 12.10 H new ATOM 229 N GLY A 14 9.889 2.894 -8.874 1.00 24.04 N ATOM 230 CA GLY A 14 10.312 4.202 -9.339 1.00 73.43 C ATOM 231 C GLY A 14 9.260 5.268 -9.105 1.00 63.34 C ATOM 232 O GLY A 14 9.295 6.332 -9.725 1.00 0.01 O ATOM 0 H GLY A 14 9.077 2.509 -9.357 1.00 24.04 H new ATOM 0 HA2 GLY A 14 11.232 4.486 -8.828 1.00 73.43 H new ATOM 0 HA3 GLY A 14 10.541 4.149 -10.403 1.00 73.43 H new ATOM 236 N LYS A 15 8.320 4.983 -8.212 1.00 11.24 N ATOM 237 CA LYS A 15 7.252 5.925 -7.898 1.00 30.01 C ATOM 238 C LYS A 15 7.550 6.672 -6.601 1.00 55.35 C ATOM 239 O LYS A 15 8.593 7.309 -6.467 1.00 34.01 O ATOM 240 CB LYS A 15 5.915 5.190 -7.780 1.00 75.32 C ATOM 241 CG LYS A 15 5.605 4.296 -8.968 1.00 51.42 C ATOM 242 CD LYS A 15 5.985 2.851 -8.693 1.00 42.41 C ATOM 243 CE LYS A 15 4.874 1.895 -9.100 1.00 13.12 C ATOM 244 NZ LYS A 15 4.946 1.544 -10.545 1.00 42.13 N1+ ATOM 0 H LYS A 15 8.275 4.107 -7.692 1.00 11.24 H new ATOM 0 HA LYS A 15 7.191 6.651 -8.709 1.00 30.01 H new ATOM 0 HB2 LYS A 15 5.921 4.585 -6.873 1.00 75.32 H new ATOM 0 HB3 LYS A 15 5.116 5.923 -7.669 1.00 75.32 H new ATOM 0 HG2 LYS A 15 4.542 4.355 -9.201 1.00 51.42 H new ATOM 0 HG3 LYS A 15 6.144 4.654 -9.845 1.00 51.42 H new ATOM 0 HD2 LYS A 15 6.897 2.604 -9.237 1.00 42.41 H new ATOM 0 HD3 LYS A 15 6.203 2.727 -7.632 1.00 42.41 H new ATOM 0 HE2 LYS A 15 4.940 0.986 -8.502 1.00 13.12 H new ATOM 0 HE3 LYS A 15 3.907 2.349 -8.884 1.00 13.12 H new ATOM 0 HZ1 LYS A 15 4.172 0.891 -10.783 1.00 42.13 H new ATOM 0 HZ2 LYS A 15 4.858 2.408 -11.117 1.00 42.13 H new ATOM 0 HZ3 LYS A 15 5.858 1.087 -10.746 1.00 42.13 H new ATOM 258 N GLY A 16 6.625 6.588 -5.649 1.00 50.13 N ATOM 259 CA GLY A 16 6.808 7.260 -4.376 1.00 34.20 C ATOM 260 C GLY A 16 6.778 6.299 -3.203 1.00 71.14 C ATOM 261 O GLY A 16 7.760 6.166 -2.476 1.00 20.31 O ATOM 0 H GLY A 16 5.753 6.067 -5.737 1.00 50.13 H new ATOM 0 HA2 GLY A 16 7.760 7.791 -4.382 1.00 34.20 H new ATOM 0 HA3 GLY A 16 6.026 8.009 -4.248 1.00 34.20 H new ATOM 265 N GLY A 17 5.645 5.628 -3.019 1.00 71.14 N ATOM 266 CA GLY A 17 5.511 4.684 -1.925 1.00 43.50 C ATOM 267 C GLY A 17 4.112 4.670 -1.341 1.00 33.32 C ATOM 268 O GLY A 17 3.732 5.575 -0.598 1.00 23.24 O ATOM 0 H GLY A 17 4.818 5.721 -3.608 1.00 71.14 H new ATOM 0 HA2 GLY A 17 5.764 3.684 -2.278 1.00 43.50 H new ATOM 0 HA3 GLY A 17 6.226 4.936 -1.142 1.00 43.50 H new TER 272 GLY A 17