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+ 163:sc= -0.0342 (180deg=-0.26) 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= 0.161 (180deg=0.161) USER MOD ----------------------------------------------------------------- HETATM 1 C1 PTL A 1 2.992 -1.681 -0.505 1.00 32.44 C HETATM 2 O1 PTL A 1 2.997 -2.713 0.168 1.00 52.25 O HETATM 3 C2 PTL A 1 2.324 -0.413 0.016 1.00 52.33 C HETATM 4 C3 PTL A 1 3.300 0.762 -0.065 1.00 14.41 C HETATM 5 C4 PTL A 1 4.475 0.643 0.892 1.00 73.32 C HETATM 6 C5 PTL A 1 4.210 1.296 2.216 1.00 33.23 C HETATM 0 H53 PTL A 1 4.008 2.356 2.065 1.00 33.23 H new HETATM 0 H52 PTL A 1 3.347 0.826 2.687 1.00 33.23 H new HETATM 0 H51 PTL A 1 5.082 1.181 2.860 1.00 33.23 H new HETATM 0 H42 PTL A 1 4.704 -0.411 1.050 1.00 73.32 H new HETATM 0 H41 PTL A 1 5.356 1.096 0.438 1.00 73.32 H new HETATM 0 H32 PTL A 1 3.679 0.840 -1.084 1.00 14.41 H new HETATM 0 H31 PTL A 1 2.762 1.686 0.146 1.00 14.41 H new HETATM 0 H22 PTL A 1 1.431 -0.196 -0.569 1.00 52.33 H new HETATM 0 H21 PTL A 1 2.002 -0.559 1.047 1.00 52.33 H new ATOM 16 N VAL A 2 3.555 -1.598 -1.705 1.00 44.15 N ATOM 17 CA VAL A 2 4.227 -2.739 -2.316 1.00 21.42 C ATOM 18 C VAL A 2 5.687 -2.814 -1.882 1.00 50.01 C ATOM 19 O VAL A 2 6.329 -3.855 -2.006 1.00 22.52 O ATOM 20 CB VAL A 2 4.162 -2.673 -3.853 1.00 13.12 C ATOM 21 CG1 VAL A 2 4.860 -3.875 -4.470 1.00 24.15 C ATOM 22 CG2 VAL A 2 2.717 -2.587 -4.321 1.00 23.11 C ATOM 0 HA VAL A 2 3.704 -3.633 -1.977 1.00 21.42 H new ATOM 0 HB VAL A 2 4.682 -1.773 -4.183 1.00 13.12 H new ATOM 0 HG11 VAL A 2 4.803 -3.810 -5.557 1.00 24.15 H new ATOM 0 HG12 VAL A 2 5.905 -3.887 -4.161 1.00 24.15 H new ATOM 0 HG13 VAL A 2 4.372 -4.790 -4.135 1.00 24.15 H new ATOM 0 HG21 VAL A 2 2.689 -2.541 -5.410 1.00 23.11 H new ATOM 0 HG22 VAL A 2 2.171 -3.467 -3.981 1.00 23.11 H new ATOM 0 HG23 VAL A 2 2.254 -1.691 -3.908 1.00 23.11 H new ATOM 32 N ALA A 3 6.205 -1.701 -1.373 1.00 14.21 N ATOM 33 CA ALA A 3 7.588 -1.640 -0.918 1.00 73.20 C ATOM 34 C ALA A 3 7.823 -2.588 0.253 1.00 62.24 C ATOM 35 O ALA A 3 8.925 -3.107 0.432 1.00 4.35 O ATOM 36 CB ALA A 3 7.953 -0.216 -0.528 1.00 3.03 C ATOM 0 H ALA A 3 5.687 -0.829 -1.265 1.00 14.21 H new ATOM 0 HA ALA A 3 8.229 -1.955 -1.741 1.00 73.20 H new ATOM 0 HB1 ALA A 3 8.989 -0.185 -0.190 1.00 3.03 H new ATOM 0 HB2 ALA A 3 7.833 0.440 -1.391 1.00 3.03 H new ATOM 0 HB3 ALA A 3 7.299 0.120 0.277 1.00 3.03 H new ATOM 42 N ARG A 4 6.781 -2.810 1.047 1.00 23.25 N ATOM 43 CA ARG A 4 6.876 -3.695 2.202 1.00 72.23 C ATOM 44 C ARG A 4 7.378 -5.076 1.790 1.00 51.12 C ATOM 45 O ARG A 4 8.071 -5.749 2.551 1.00 52.10 O ATOM 46 CB ARG A 4 5.514 -3.820 2.888 1.00 31.22 C ATOM 47 CG ARG A 4 4.521 -4.679 2.122 1.00 4.13 C ATOM 48 CD ARG A 4 3.099 -4.461 2.614 1.00 0.35 C ATOM 49 NE ARG A 4 2.135 -5.272 1.877 1.00 21.13 N ATOM 50 CZ ARG A 4 1.943 -6.568 2.101 1.00 11.11 C ATOM 51 NH1 ARG A 4 2.644 -7.194 3.035 1.00 62.40 N1+ ATOM 52 NH2 ARG A 4 1.045 -7.239 1.389 1.00 4.01 N1+ ATOM 0 H ARG A 4 5.862 -2.390 0.912 1.00 23.25 H new ATOM 0 HA ARG A 4 7.590 -3.262 2.902 1.00 72.23 H new ATOM 0 HB2 ARG A 4 5.655 -4.243 3.883 1.00 31.22 H new ATOM 0 HB3 ARG A 4 5.092 -2.824 3.022 1.00 31.22 H new ATOM 0 HG2 ARG A 4 4.579 -4.444 1.059 1.00 4.13 H new ATOM 0 HG3 ARG A 4 4.788 -5.730 2.231 1.00 4.13 H new ATOM 0 HD2 ARG A 4 3.041 -4.704 3.675 1.00 0.35 H new ATOM 0 HD3 ARG A 4 2.838 -3.407 2.514 1.00 0.35 H new ATOM 0 HE ARG A 4 1.579 -4.820 1.151 1.00 21.13 H new ATOM 0 HH11 ARG A 4 3.333 -6.681 3.585 1.00 62.40 H new ATOM 0 HH12 ARG A 4 2.494 -8.189 3.204 1.00 62.40 H new ATOM 0 HH21 ARG A 4 0.503 -6.760 0.670 1.00 4.01 H new ATOM 0 HH22 ARG A 4 0.898 -8.234 1.561 1.00 4.01 H new ATOM 66 N GLY A 5 7.022 -5.492 0.578 1.00 75.32 N ATOM 67 CA GLY A 5 7.444 -6.790 0.085 1.00 74.03 C ATOM 68 C GLY A 5 8.250 -6.690 -1.194 1.00 64.42 C ATOM 69 O GLY A 5 8.579 -7.705 -1.809 1.00 63.30 O ATOM 0 H GLY A 5 6.449 -4.953 -0.071 1.00 75.32 H new ATOM 0 HA2 GLY A 5 8.041 -7.289 0.849 1.00 74.03 H new ATOM 0 HA3 GLY A 5 6.566 -7.412 -0.090 1.00 74.03 H new ATOM 73 N TRP A 6 8.569 -5.466 -1.597 1.00 34.41 N ATOM 74 CA TRP A 6 9.340 -5.238 -2.813 1.00 43.21 C ATOM 75 C TRP A 6 10.747 -4.751 -2.482 1.00 64.42 C ATOM 76 O TRP A 6 11.736 -5.390 -2.841 1.00 61.23 O ATOM 77 CB TRP A 6 8.632 -4.219 -3.708 1.00 31.03 C ATOM 78 CG TRP A 6 9.461 -3.777 -4.875 1.00 44.53 C ATOM 79 CD1 TRP A 6 9.532 -2.517 -5.399 1.00 64.13 C ATOM 80 CD2 TRP A 6 10.334 -4.592 -5.665 1.00 4.34 C ATOM 81 NE1 TRP A 6 10.398 -2.501 -6.467 1.00 31.02 N ATOM 82 CE2 TRP A 6 10.904 -3.760 -6.650 1.00 33.22 C ATOM 83 CE3 TRP A 6 10.693 -5.942 -5.634 1.00 72.24 C ATOM 84 CZ2 TRP A 6 11.808 -4.238 -7.594 1.00 5.31 C ATOM 85 CZ3 TRP A 6 11.591 -6.414 -6.572 1.00 23.20 C ATOM 86 CH2 TRP A 6 12.141 -5.565 -7.541 1.00 2.43 C ATOM 0 H TRP A 6 8.306 -4.616 -1.099 1.00 34.41 H new ATOM 0 HA TRP A 6 9.419 -6.186 -3.346 1.00 43.21 H new ATOM 0 HB2 TRP A 6 7.702 -4.653 -4.076 1.00 31.03 H new ATOM 0 HB3 TRP A 6 8.363 -3.347 -3.112 1.00 31.03 H new ATOM 0 HD1 TRP A 6 8.988 -1.660 -5.029 1.00 64.13 H new ATOM 0 HE1 TRP A 6 10.627 -1.683 -7.032 1.00 31.02 H new ATOM 0 HE3 TRP A 6 10.276 -6.605 -4.890 1.00 72.24 H new ATOM 0 HZ2 TRP A 6 12.232 -3.585 -8.342 1.00 5.31 H new ATOM 0 HZ3 TRP A 6 11.874 -7.456 -6.558 1.00 23.20 H new ATOM 0 HH2 TRP A 6 12.841 -5.965 -8.260 1.00 2.43 H new ATOM 97 N LYS A 7 10.829 -3.618 -1.795 1.00 42.43 N ATOM 98 CA LYS A 7 12.116 -3.045 -1.414 1.00 73.14 C ATOM 99 C LYS A 7 12.223 -2.911 0.101 1.00 31.24 C ATOM 100 O LYS A 7 12.724 -3.808 0.779 1.00 14.04 O ATOM 101 CB LYS A 7 12.303 -1.677 -2.072 1.00 42.23 C ATOM 102 CG LYS A 7 13.229 -1.703 -3.276 1.00 1.33 C ATOM 103 CD LYS A 7 12.935 -2.887 -4.180 1.00 64.32 C ATOM 104 CE LYS A 7 13.722 -2.806 -5.480 1.00 12.52 C ATOM 105 NZ LYS A 7 15.131 -2.385 -5.249 1.00 41.31 N1+ ATOM 0 H LYS A 7 10.020 -3.077 -1.490 1.00 42.43 H new ATOM 0 HA LYS A 7 12.902 -3.717 -1.759 1.00 73.14 H new ATOM 0 HB2 LYS A 7 11.330 -1.296 -2.381 1.00 42.23 H new ATOM 0 HB3 LYS A 7 12.699 -0.979 -1.334 1.00 42.23 H new ATOM 0 HG2 LYS A 7 13.119 -0.777 -3.841 1.00 1.33 H new ATOM 0 HG3 LYS A 7 14.264 -1.750 -2.939 1.00 1.33 H new ATOM 0 HD2 LYS A 7 13.183 -3.813 -3.661 1.00 64.32 H new ATOM 0 HD3 LYS A 7 11.868 -2.921 -4.401 1.00 64.32 H new ATOM 0 HE2 LYS A 7 13.709 -3.778 -5.973 1.00 12.52 H new ATOM 0 HE3 LYS A 7 13.238 -2.100 -6.154 1.00 12.52 H new ATOM 0 HZ1 LYS A 7 15.703 -2.614 -6.087 1.00 41.31 H new ATOM 0 HZ2 LYS A 7 15.163 -1.360 -5.077 1.00 41.31 H new ATOM 0 HZ3 LYS A 7 15.512 -2.887 -4.422 1.00 41.31 H new ATOM 119 N ARG A 8 11.749 -1.786 0.626 1.00 11.54 N ATOM 120 CA ARG A 8 11.792 -1.535 2.062 1.00 73.23 C ATOM 121 C ARG A 8 10.394 -1.258 2.608 1.00 71.11 C ATOM 122 O ARG A 8 9.587 -2.173 2.773 1.00 61.31 O ATOM 123 CB ARG A 8 12.714 -0.353 2.368 1.00 50.34 C ATOM 124 CG ARG A 8 14.189 -0.664 2.174 1.00 74.53 C ATOM 125 CD ARG A 8 14.889 0.424 1.376 1.00 40.14 C ATOM 126 NE ARG A 8 15.976 -0.109 0.560 1.00 11.31 N ATOM 127 CZ ARG A 8 16.898 0.650 -0.021 1.00 44.34 C ATOM 128 NH1 ARG A 8 16.865 1.967 0.122 1.00 54.34 N1+ ATOM 129 NH2 ARG A 8 17.857 0.091 -0.749 1.00 21.24 N1+ ATOM 0 H ARG A 8 11.331 -1.034 0.079 1.00 11.54 H new ATOM 0 HA ARG A 8 12.184 -2.428 2.549 1.00 73.23 H new ATOM 0 HB2 ARG A 8 12.441 0.485 1.727 1.00 50.34 H new ATOM 0 HB3 ARG A 8 12.551 -0.033 3.397 1.00 50.34 H new ATOM 0 HG2 ARG A 8 14.670 -0.770 3.146 1.00 74.53 H new ATOM 0 HG3 ARG A 8 14.296 -1.619 1.660 1.00 74.53 H new ATOM 0 HD2 ARG A 8 14.165 0.925 0.733 1.00 40.14 H new ATOM 0 HD3 ARG A 8 15.284 1.177 2.058 1.00 40.14 H new ATOM 0 HE ARG A 8 16.030 -1.119 0.429 1.00 11.31 H new ATOM 0 HH11 ARG A 8 16.130 2.401 0.680 1.00 54.34 H new ATOM 0 HH12 ARG A 8 17.575 2.547 -0.326 1.00 54.34 H new ATOM 0 HH21 ARG A 8 17.886 -0.922 -0.863 1.00 21.24 H new ATOM 0 HH22 ARG A 8 18.565 0.675 -1.195 1.00 21.24 H new ATOM 143 N LYS A 9 10.115 0.011 2.887 1.00 11.12 N ATOM 144 CA LYS A 9 8.814 0.410 3.413 1.00 44.40 C ATOM 145 C LYS A 9 8.151 1.439 2.502 1.00 21.13 C ATOM 146 O LYS A 9 7.169 1.138 1.824 1.00 74.41 O ATOM 147 CB LYS A 9 8.968 0.986 4.823 1.00 34.33 C ATOM 148 CG LYS A 9 9.409 -0.040 5.853 1.00 12.43 C ATOM 149 CD LYS A 9 10.757 0.321 6.456 1.00 60.31 C ATOM 150 CE LYS A 9 10.600 1.006 7.804 1.00 11.24 C ATOM 151 NZ LYS A 9 11.896 1.535 8.313 1.00 62.34 N1+ ATOM 0 H LYS A 9 10.772 0.781 2.758 1.00 11.12 H new ATOM 0 HA LYS A 9 8.179 -0.475 3.455 1.00 44.40 H new ATOM 0 HB2 LYS A 9 9.694 1.798 4.797 1.00 34.33 H new ATOM 0 HB3 LYS A 9 8.017 1.418 5.136 1.00 34.33 H new ATOM 0 HG2 LYS A 9 8.662 -0.108 6.644 1.00 12.43 H new ATOM 0 HG3 LYS A 9 9.469 -1.023 5.386 1.00 12.43 H new ATOM 0 HD2 LYS A 9 11.357 -0.581 6.573 1.00 60.31 H new ATOM 0 HD3 LYS A 9 11.298 0.977 5.774 1.00 60.31 H new ATOM 0 HE2 LYS A 9 9.884 1.823 7.715 1.00 11.24 H new ATOM 0 HE3 LYS A 9 10.188 0.299 8.525 1.00 11.24 H new ATOM 0 HZ1 LYS A 9 11.746 1.994 9.234 1.00 62.34 H new ATOM 0 HZ2 LYS A 9 12.571 0.752 8.423 1.00 62.34 H new ATOM 0 HZ3 LYS A 9 12.277 2.229 7.638 1.00 62.34 H new ATOM 165 N CYS A 10 8.695 2.651 2.491 1.00 31.23 N ATOM 166 CA CYS A 10 8.157 3.723 1.663 1.00 33.33 C ATOM 167 C CYS A 10 8.542 3.526 0.200 1.00 54.22 C ATOM 168 O CYS A 10 7.692 3.325 -0.669 1.00 3.04 O ATOM 169 CB CYS A 10 8.661 5.080 2.158 1.00 72.04 C ATOM 170 SG CYS A 10 7.427 6.037 3.069 1.00 44.20 S ATOM 0 H CYS A 10 9.509 2.915 3.047 1.00 31.23 H new ATOM 0 HA CYS A 10 7.070 3.697 1.740 1.00 33.33 H new ATOM 0 HB2 CYS A 10 9.528 4.922 2.799 1.00 72.04 H new ATOM 0 HB3 CYS A 10 8.999 5.664 1.302 1.00 72.04 H new ATOM 0 HG CYS A 10 7.947 7.166 3.448 1.00 44.20 H new ATOM 176 N PRO A 11 9.851 3.586 -0.081 1.00 10.13 N ATOM 177 CA PRO A 11 10.379 3.417 -1.438 1.00 0.44 C ATOM 178 C PRO A 11 10.237 1.985 -1.941 1.00 72.12 C ATOM 179 O PRO A 11 10.647 1.037 -1.272 1.00 20.21 O ATOM 180 CB PRO A 11 11.857 3.788 -1.292 1.00 41.55 C ATOM 181 CG PRO A 11 12.176 3.520 0.138 1.00 44.30 C ATOM 182 CD PRO A 11 10.919 3.821 0.906 1.00 52.31 C ATOM 0 HA PRO A 11 9.841 4.028 -2.163 1.00 0.44 H new ATOM 0 HB2 PRO A 11 12.482 3.191 -1.956 1.00 41.55 H new ATOM 0 HB3 PRO A 11 12.030 4.834 -1.547 1.00 41.55 H new ATOM 0 HG2 PRO A 11 12.483 2.484 0.282 1.00 44.30 H new ATOM 0 HG3 PRO A 11 13.001 4.147 0.478 1.00 44.30 H new ATOM 0 HD2 PRO A 11 10.813 3.171 1.775 1.00 52.31 H new ATOM 0 HD3 PRO A 11 10.908 4.847 1.273 1.00 52.31 H new ATOM 190 N LEU A 12 9.653 1.835 -3.125 1.00 74.41 N ATOM 191 CA LEU A 12 9.456 0.517 -3.720 1.00 20.34 C ATOM 192 C LEU A 12 10.142 0.426 -5.078 1.00 64.52 C ATOM 193 O LEU A 12 11.270 -0.057 -5.185 1.00 63.12 O ATOM 194 CB LEU A 12 7.963 0.219 -3.867 1.00 53.34 C ATOM 195 CG LEU A 12 7.011 1.347 -3.466 1.00 32.11 C ATOM 196 CD1 LEU A 12 6.945 2.405 -4.556 1.00 65.15 C ATOM 197 CD2 LEU A 12 5.625 0.794 -3.172 1.00 53.23 C ATOM 0 H LEU A 12 9.308 2.609 -3.692 1.00 74.41 H new ATOM 0 HA LEU A 12 9.903 -0.224 -3.058 1.00 20.34 H new ATOM 0 HB2 LEU A 12 7.766 -0.044 -4.906 1.00 53.34 H new ATOM 0 HB3 LEU A 12 7.727 -0.659 -3.266 1.00 53.34 H new ATOM 0 HG LEU A 12 7.394 1.815 -2.559 1.00 32.11 H new ATOM 0 HD11 LEU A 12 6.263 3.199 -4.252 1.00 65.15 H new ATOM 0 HD12 LEU A 12 7.939 2.823 -4.718 1.00 65.15 H new ATOM 0 HD13 LEU A 12 6.586 1.953 -5.481 1.00 65.15 H new ATOM 0 HD21 LEU A 12 4.960 1.610 -2.888 1.00 53.23 H new ATOM 0 HD22 LEU A 12 5.234 0.300 -4.062 1.00 53.23 H new ATOM 0 HD23 LEU A 12 5.686 0.075 -2.355 1.00 53.23 H new ATOM 209 N PHE A 13 9.455 0.892 -6.115 1.00 54.25 N ATOM 210 CA PHE A 13 9.998 0.864 -7.469 1.00 1.54 C ATOM 211 C PHE A 13 10.557 2.230 -7.858 1.00 73.24 C ATOM 212 O PHE A 13 11.525 2.708 -7.268 1.00 55.23 O ATOM 213 CB PHE A 13 8.918 0.439 -8.465 1.00 42.24 C ATOM 214 CG PHE A 13 8.172 -0.798 -8.051 1.00 42.51 C ATOM 215 CD1 PHE A 13 7.168 -0.730 -7.098 1.00 4.12 C ATOM 216 CD2 PHE A 13 8.477 -2.027 -8.614 1.00 14.33 C ATOM 217 CE1 PHE A 13 6.480 -1.866 -6.715 1.00 24.41 C ATOM 218 CE2 PHE A 13 7.792 -3.166 -8.235 1.00 12.22 C ATOM 219 CZ PHE A 13 6.793 -3.086 -7.282 1.00 64.15 C ATOM 0 H PHE A 13 8.520 1.294 -6.044 1.00 54.25 H new ATOM 0 HA PHE A 13 10.811 0.138 -7.494 1.00 1.54 H new ATOM 0 HB2 PHE A 13 8.208 1.257 -8.590 1.00 42.24 H new ATOM 0 HB3 PHE A 13 9.380 0.267 -9.437 1.00 42.24 H new ATOM 0 HD1 PHE A 13 6.921 0.221 -6.650 1.00 4.12 H new ATOM 0 HD2 PHE A 13 9.258 -2.095 -9.357 1.00 14.33 H new ATOM 0 HE1 PHE A 13 5.698 -1.800 -5.973 1.00 24.41 H new ATOM 0 HE2 PHE A 13 8.037 -4.118 -8.683 1.00 12.22 H new ATOM 0 HZ PHE A 13 6.259 -3.975 -6.982 1.00 64.15 H new ATOM 229 N GLY A 14 9.940 2.852 -8.859 1.00 72.22 N ATOM 230 CA GLY A 14 10.389 4.155 -9.312 1.00 44.31 C ATOM 231 C GLY A 14 9.346 5.233 -9.100 1.00 42.23 C ATOM 232 O GLY A 14 9.394 6.288 -9.735 1.00 3.33 O ATOM 0 H GLY A 14 9.137 2.476 -9.364 1.00 72.22 H new ATOM 0 HA2 GLY A 14 11.301 4.427 -8.780 1.00 44.31 H new ATOM 0 HA3 GLY A 14 10.641 4.101 -10.371 1.00 44.31 H new ATOM 236 N LYS A 15 8.397 4.971 -8.208 1.00 65.23 N ATOM 237 CA LYS A 15 7.336 5.927 -7.914 1.00 63.30 C ATOM 238 C LYS A 15 7.624 6.678 -6.619 1.00 61.10 C ATOM 239 O LYS A 15 8.675 7.303 -6.473 1.00 73.12 O ATOM 240 CB LYS A 15 5.989 5.208 -7.811 1.00 30.14 C ATOM 241 CG LYS A 15 5.690 4.301 -8.992 1.00 11.25 C ATOM 242 CD LYS A 15 6.058 2.858 -8.694 1.00 74.22 C ATOM 243 CE LYS A 15 6.076 2.015 -9.960 1.00 32.51 C ATOM 244 NZ LYS A 15 5.337 0.734 -9.784 1.00 72.14 N1+ ATOM 0 H LYS A 15 8.341 4.103 -7.675 1.00 65.23 H new ATOM 0 HA LYS A 15 7.295 6.649 -8.730 1.00 63.30 H new ATOM 0 HB2 LYS A 15 5.972 4.616 -6.896 1.00 30.14 H new ATOM 0 HB3 LYS A 15 5.196 5.951 -7.725 1.00 30.14 H new ATOM 0 HG2 LYS A 15 4.631 4.363 -9.241 1.00 11.25 H new ATOM 0 HG3 LYS A 15 6.243 4.646 -9.866 1.00 11.25 H new ATOM 0 HD2 LYS A 15 7.038 2.822 -8.218 1.00 74.22 H new ATOM 0 HD3 LYS A 15 5.344 2.438 -7.986 1.00 74.22 H new ATOM 0 HE2 LYS A 15 5.632 2.581 -10.779 1.00 32.51 H new ATOM 0 HE3 LYS A 15 7.108 1.803 -10.241 1.00 32.51 H new ATOM 0 HZ1 LYS A 15 5.372 0.188 -10.669 1.00 72.14 H new ATOM 0 HZ2 LYS A 15 5.776 0.182 -9.019 1.00 72.14 H new ATOM 0 HZ3 LYS A 15 4.346 0.935 -9.541 1.00 72.14 H new ATOM 258 N GLY A 16 6.685 6.613 -5.680 1.00 62.22 N ATOM 259 CA GLY A 16 6.859 7.291 -4.408 1.00 60.21 C ATOM 260 C GLY A 16 6.801 6.338 -3.230 1.00 73.53 C ATOM 261 O GLY A 16 7.748 6.245 -2.450 1.00 53.34 O ATOM 0 H GLY A 16 5.807 6.103 -5.777 1.00 62.22 H new ATOM 0 HA2 GLY A 16 7.817 7.810 -4.405 1.00 60.21 H new ATOM 0 HA3 GLY A 16 6.085 8.050 -4.296 1.00 60.21 H new ATOM 265 N GLY A 17 5.684 5.628 -3.100 1.00 12.53 N ATOM 266 CA GLY A 17 5.526 4.689 -2.005 1.00 44.02 C ATOM 267 C GLY A 17 4.108 4.655 -1.470 1.00 64.21 C ATOM 268 O GLY A 17 3.752 3.771 -0.691 1.00 60.23 O ATOM 0 H GLY A 17 4.886 5.686 -3.733 1.00 12.53 H new ATOM 0 HA2 GLY A 17 5.808 3.692 -2.342 1.00 44.02 H new ATOM 0 HA3 GLY A 17 6.209 4.957 -1.199 1.00 44.02 H new TER 272 GLY A 17