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+ 180:sc= 0 (180deg=0) 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+ 153:sc= -0.0995 (180deg=-0.578) USER MOD ----------------------------------------------------------------- HETATM 1 C1 PTL A 1 3.440 -0.723 -1.204 1.00 51.21 C HETATM 2 O1 PTL A 1 3.605 -1.515 -0.275 1.00 73.11 O HETATM 3 C2 PTL A 1 2.860 0.665 -0.955 1.00 52.33 C HETATM 4 C3 PTL A 1 2.003 0.653 0.313 1.00 42.52 C HETATM 5 C4 PTL A 1 2.672 1.320 1.504 1.00 43.14 C HETATM 6 C5 PTL A 1 3.967 0.667 1.881 1.00 4.25 C HETATM 0 H53 PTL A 1 3.786 -0.376 2.141 1.00 4.25 H new HETATM 0 H52 PTL A 1 4.658 0.717 1.040 1.00 4.25 H new HETATM 0 H51 PTL A 1 4.400 1.185 2.737 1.00 4.25 H new HETATM 0 H42 PTL A 1 2.853 2.370 1.273 1.00 43.14 H new HETATM 0 H41 PTL A 1 1.995 1.294 2.358 1.00 43.14 H new HETATM 0 H32 PTL A 1 1.058 1.157 0.108 1.00 42.52 H new HETATM 0 H31 PTL A 1 1.765 -0.379 0.571 1.00 42.52 H new HETATM 0 H22 PTL A 1 3.666 1.392 -0.853 1.00 52.33 H new HETATM 0 H21 PTL A 1 2.257 0.975 -1.809 1.00 52.33 H new ATOM 16 N VAL A 2 3.749 -1.014 -2.464 1.00 23.22 N ATOM 17 CA VAL A 2 4.312 -2.307 -2.835 1.00 30.01 C ATOM 18 C VAL A 2 5.629 -2.561 -2.109 1.00 13.35 C ATOM 19 O VAL A 2 6.093 -3.698 -2.023 1.00 34.14 O ATOM 20 CB VAL A 2 4.550 -2.401 -4.354 1.00 34.32 C ATOM 21 CG1 VAL A 2 5.214 -3.721 -4.709 1.00 1.42 C ATOM 22 CG2 VAL A 2 3.239 -2.233 -5.109 1.00 44.14 C ATOM 0 HA VAL A 2 3.586 -3.065 -2.541 1.00 30.01 H new ATOM 0 HB VAL A 2 5.220 -1.594 -4.651 1.00 34.32 H new ATOM 0 HG11 VAL A 2 5.374 -3.770 -5.786 1.00 1.42 H new ATOM 0 HG12 VAL A 2 6.173 -3.796 -4.196 1.00 1.42 H new ATOM 0 HG13 VAL A 2 4.572 -4.546 -4.400 1.00 1.42 H new ATOM 0 HG21 VAL A 2 3.425 -2.302 -6.181 1.00 44.14 H new ATOM 0 HG22 VAL A 2 2.544 -3.018 -4.810 1.00 44.14 H new ATOM 0 HG23 VAL A 2 2.808 -1.259 -4.878 1.00 44.14 H new ATOM 32 N ALA A 3 6.226 -1.494 -1.588 1.00 50.23 N ATOM 33 CA ALA A 3 7.488 -1.602 -0.867 1.00 43.23 C ATOM 34 C ALA A 3 7.422 -2.693 0.198 1.00 14.32 C ATOM 35 O ALA A 3 8.434 -3.305 0.537 1.00 41.42 O ATOM 36 CB ALA A 3 7.851 -0.266 -0.235 1.00 41.24 C ATOM 0 H ALA A 3 5.856 -0.546 -1.652 1.00 50.23 H new ATOM 0 HA ALA A 3 8.264 -1.876 -1.582 1.00 43.23 H new ATOM 0 HB1 ALA A 3 8.796 -0.361 0.300 1.00 41.24 H new ATOM 0 HB2 ALA A 3 7.950 0.490 -1.014 1.00 41.24 H new ATOM 0 HB3 ALA A 3 7.068 0.032 0.462 1.00 41.24 H new ATOM 42 N ARG A 4 6.223 -2.929 0.721 1.00 52.54 N ATOM 43 CA ARG A 4 6.025 -3.945 1.748 1.00 71.44 C ATOM 44 C ARG A 4 6.745 -5.239 1.379 1.00 54.42 C ATOM 45 O ARG A 4 7.349 -5.890 2.231 1.00 34.12 O ATOM 46 CB ARG A 4 4.533 -4.217 1.946 1.00 72.31 C ATOM 47 CG ARG A 4 3.833 -3.177 2.806 1.00 52.24 C ATOM 48 CD ARG A 4 2.394 -2.964 2.363 1.00 21.12 C ATOM 49 NE ARG A 4 1.441 -3.587 3.277 1.00 4.23 N ATOM 50 CZ ARG A 4 0.192 -3.889 2.941 1.00 72.25 C ATOM 51 NH1 ARG A 4 -0.252 -3.627 1.719 1.00 73.35 N1+ ATOM 52 NH2 ARG A 4 -0.616 -4.455 3.829 1.00 35.00 N1+ ATOM 0 H ARG A 4 5.375 -2.431 0.451 1.00 52.54 H new ATOM 0 HA ARG A 4 6.445 -3.569 2.681 1.00 71.44 H new ATOM 0 HB2 ARG A 4 4.047 -4.257 0.971 1.00 72.31 H new ATOM 0 HB3 ARG A 4 4.409 -5.198 2.404 1.00 72.31 H new ATOM 0 HG2 ARG A 4 3.851 -3.494 3.849 1.00 52.24 H new ATOM 0 HG3 ARG A 4 4.375 -2.233 2.751 1.00 52.24 H new ATOM 0 HD2 ARG A 4 2.189 -1.895 2.299 1.00 21.12 H new ATOM 0 HD3 ARG A 4 2.258 -3.375 1.363 1.00 21.12 H new ATOM 0 HE ARG A 4 1.751 -3.802 4.225 1.00 4.23 H new ATOM 0 HH11 ARG A 4 0.366 -3.192 1.034 1.00 73.35 H new ATOM 0 HH12 ARG A 4 -1.212 -3.860 1.464 1.00 73.35 H new ATOM 0 HH21 ARG A 4 -0.278 -4.658 4.770 1.00 35.00 H new ATOM 0 HH22 ARG A 4 -1.575 -4.687 3.571 1.00 35.00 H new ATOM 66 N GLY A 5 6.674 -5.606 0.103 1.00 3.22 N ATOM 67 CA GLY A 5 7.322 -6.821 -0.356 1.00 21.21 C ATOM 68 C GLY A 5 8.347 -6.556 -1.442 1.00 71.13 C ATOM 69 O GLY A 5 8.809 -7.484 -2.108 1.00 33.42 O ATOM 0 H GLY A 5 6.180 -5.084 -0.621 1.00 3.22 H new ATOM 0 HA2 GLY A 5 7.809 -7.311 0.487 1.00 21.21 H new ATOM 0 HA3 GLY A 5 6.568 -7.511 -0.733 1.00 21.21 H new ATOM 73 N TRP A 6 8.703 -5.290 -1.621 1.00 13.13 N ATOM 74 CA TRP A 6 9.679 -4.906 -2.635 1.00 75.12 C ATOM 75 C TRP A 6 10.872 -4.199 -2.002 1.00 15.14 C ATOM 76 O TRP A 6 12.023 -4.543 -2.268 1.00 41.21 O ATOM 77 CB TRP A 6 9.028 -4.000 -3.681 1.00 52.00 C ATOM 78 CG TRP A 6 10.018 -3.347 -4.599 1.00 14.20 C ATOM 79 CD1 TRP A 6 9.973 -2.069 -5.076 1.00 74.33 C ATOM 80 CD2 TRP A 6 11.196 -3.943 -5.152 1.00 14.24 C ATOM 81 NE1 TRP A 6 11.053 -1.833 -5.893 1.00 42.23 N ATOM 82 CE2 TRP A 6 11.819 -2.968 -5.954 1.00 2.22 C ATOM 83 CE3 TRP A 6 11.786 -5.206 -5.046 1.00 33.14 C ATOM 84 CZ2 TRP A 6 13.001 -3.218 -6.646 1.00 32.30 C ATOM 85 CZ3 TRP A 6 12.959 -5.452 -5.734 1.00 61.04 C ATOM 86 CH2 TRP A 6 13.558 -4.462 -6.524 1.00 12.23 C ATOM 0 H TRP A 6 8.331 -4.511 -1.078 1.00 13.13 H new ATOM 0 HA TRP A 6 10.036 -5.813 -3.123 1.00 75.12 H new ATOM 0 HB2 TRP A 6 8.326 -4.587 -4.273 1.00 52.00 H new ATOM 0 HB3 TRP A 6 8.450 -3.228 -3.173 1.00 52.00 H new ATOM 0 HD1 TRP A 6 9.202 -1.349 -4.845 1.00 74.33 H new ATOM 0 HE1 TRP A 6 11.252 -0.956 -6.375 1.00 42.23 H new ATOM 0 HE3 TRP A 6 11.333 -5.975 -4.438 1.00 33.14 H new ATOM 0 HZ2 TRP A 6 13.462 -2.457 -7.258 1.00 32.30 H new ATOM 0 HZ3 TRP A 6 13.422 -6.425 -5.661 1.00 61.04 H new ATOM 0 HH2 TRP A 6 14.477 -4.685 -7.046 1.00 12.23 H new ATOM 97 N LYS A 7 10.589 -3.208 -1.164 1.00 64.54 N ATOM 98 CA LYS A 7 11.639 -2.451 -0.491 1.00 43.30 C ATOM 99 C LYS A 7 11.460 -2.499 1.023 1.00 51.24 C ATOM 100 O LYS A 7 10.415 -2.115 1.546 1.00 73.14 O ATOM 101 CB LYS A 7 11.636 -0.998 -0.970 1.00 21.41 C ATOM 102 CG LYS A 7 12.068 -0.832 -2.416 1.00 4.34 C ATOM 103 CD LYS A 7 13.415 -1.487 -2.674 1.00 45.41 C ATOM 104 CE LYS A 7 14.487 -0.942 -1.743 1.00 41.42 C ATOM 105 NZ LYS A 7 15.827 -0.917 -2.394 1.00 33.42 N1+ ATOM 0 H LYS A 7 9.641 -2.910 -0.934 1.00 64.54 H new ATOM 0 HA LYS A 7 12.597 -2.907 -0.740 1.00 43.30 H new ATOM 0 HB2 LYS A 7 10.634 -0.587 -0.850 1.00 21.41 H new ATOM 0 HB3 LYS A 7 12.299 -0.413 -0.332 1.00 21.41 H new ATOM 0 HG2 LYS A 7 11.317 -1.270 -3.074 1.00 4.34 H new ATOM 0 HG3 LYS A 7 12.125 0.229 -2.660 1.00 4.34 H new ATOM 0 HD2 LYS A 7 13.328 -2.565 -2.539 1.00 45.41 H new ATOM 0 HD3 LYS A 7 13.711 -1.318 -3.709 1.00 45.41 H new ATOM 0 HE2 LYS A 7 14.217 0.066 -1.429 1.00 41.42 H new ATOM 0 HE3 LYS A 7 14.532 -1.555 -0.843 1.00 41.42 H new ATOM 0 HZ1 LYS A 7 16.530 -0.539 -1.727 1.00 33.42 H new ATOM 0 HZ2 LYS A 7 16.096 -1.883 -2.671 1.00 33.42 H new ATOM 0 HZ3 LYS A 7 15.791 -0.312 -3.239 1.00 33.42 H new ATOM 119 N ARG A 8 12.487 -2.973 1.721 1.00 45.12 N ATOM 120 CA ARG A 8 12.442 -3.072 3.175 1.00 1.04 C ATOM 121 C ARG A 8 12.519 -1.689 3.816 1.00 14.34 C ATOM 122 O ARG A 8 12.375 -1.547 5.030 1.00 22.34 O ATOM 123 CB ARG A 8 13.590 -3.945 3.685 1.00 11.25 C ATOM 124 CG ARG A 8 14.960 -3.489 3.208 1.00 71.05 C ATOM 125 CD ARG A 8 15.689 -4.597 2.464 1.00 75.55 C ATOM 126 NE ARG A 8 17.137 -4.507 2.631 1.00 24.25 N ATOM 127 CZ ARG A 8 17.782 -4.952 3.703 1.00 52.23 C ATOM 128 NH1 ARG A 8 17.111 -5.514 4.699 1.00 10.42 N1+ ATOM 129 NH2 ARG A 8 19.101 -4.835 3.781 1.00 22.52 N1+ ATOM 0 H ARG A 8 13.360 -3.294 1.303 1.00 45.12 H new ATOM 0 HA ARG A 8 11.494 -3.532 3.453 1.00 1.04 H new ATOM 0 HB2 ARG A 8 13.576 -3.948 4.775 1.00 11.25 H new ATOM 0 HB3 ARG A 8 13.425 -4.973 3.361 1.00 11.25 H new ATOM 0 HG2 ARG A 8 14.849 -2.623 2.555 1.00 71.05 H new ATOM 0 HG3 ARG A 8 15.556 -3.170 4.063 1.00 71.05 H new ATOM 0 HD2 ARG A 8 15.342 -5.565 2.825 1.00 75.55 H new ATOM 0 HD3 ARG A 8 15.442 -4.545 1.404 1.00 75.55 H new ATOM 0 HE ARG A 8 17.683 -4.079 1.883 1.00 24.25 H new ATOM 0 HH11 ARG A 8 16.097 -5.605 4.643 1.00 10.42 H new ATOM 0 HH12 ARG A 8 17.609 -5.855 5.521 1.00 10.42 H new ATOM 0 HH21 ARG A 8 19.621 -4.403 3.017 1.00 22.52 H new ATOM 0 HH22 ARG A 8 19.596 -5.177 4.605 1.00 22.52 H new ATOM 143 N LYS A 9 12.745 -0.672 2.991 1.00 24.34 N ATOM 144 CA LYS A 9 12.841 0.700 3.475 1.00 75.01 C ATOM 145 C LYS A 9 11.464 1.358 3.516 1.00 64.53 C ATOM 146 O LYS A 9 10.605 0.972 4.308 1.00 32.34 O ATOM 147 CB LYS A 9 13.781 1.514 2.583 1.00 74.03 C ATOM 148 CG LYS A 9 15.228 1.056 2.648 1.00 21.31 C ATOM 149 CD LYS A 9 15.947 1.292 1.331 1.00 1.23 C ATOM 150 CE LYS A 9 17.422 0.936 1.429 1.00 42.44 C ATOM 151 NZ LYS A 9 18.266 1.827 0.587 1.00 11.23 N1+ ATOM 0 H LYS A 9 12.865 -0.772 1.983 1.00 24.34 H new ATOM 0 HA LYS A 9 13.244 0.675 4.487 1.00 75.01 H new ATOM 0 HB2 LYS A 9 13.435 1.451 1.551 1.00 74.03 H new ATOM 0 HB3 LYS A 9 13.727 2.563 2.874 1.00 74.03 H new ATOM 0 HG2 LYS A 9 15.744 1.590 3.446 1.00 21.31 H new ATOM 0 HG3 LYS A 9 15.264 -0.004 2.898 1.00 21.31 H new ATOM 0 HD2 LYS A 9 15.479 0.695 0.548 1.00 1.23 H new ATOM 0 HD3 LYS A 9 15.843 2.337 1.041 1.00 1.23 H new ATOM 0 HE2 LYS A 9 17.744 1.007 2.468 1.00 42.44 H new ATOM 0 HE3 LYS A 9 17.567 -0.099 1.120 1.00 42.44 H new ATOM 0 HZ1 LYS A 9 19.264 1.551 0.682 1.00 11.23 H new ATOM 0 HZ2 LYS A 9 17.976 1.741 -0.408 1.00 11.23 H new ATOM 0 HZ3 LYS A 9 18.148 2.812 0.898 1.00 11.23 H new ATOM 165 N CYS A 10 11.264 2.353 2.658 1.00 42.11 N ATOM 166 CA CYS A 10 9.993 3.064 2.596 1.00 12.13 C ATOM 167 C CYS A 10 9.401 2.999 1.191 1.00 24.31 C ATOM 168 O CYS A 10 8.374 2.364 0.952 1.00 23.50 O ATOM 169 CB CYS A 10 10.180 4.523 3.017 1.00 54.10 C ATOM 170 SG CYS A 10 9.577 4.893 4.680 1.00 32.43 S ATOM 0 H CYS A 10 11.966 2.685 1.996 1.00 42.11 H new ATOM 0 HA CYS A 10 9.300 2.580 3.285 1.00 12.13 H new ATOM 0 HB2 CYS A 10 11.240 4.773 2.962 1.00 54.10 H new ATOM 0 HB3 CYS A 10 9.664 5.165 2.303 1.00 54.10 H new ATOM 0 HG CYS A 10 9.781 6.149 4.946 1.00 32.43 H new ATOM 176 N PRO A 11 10.063 3.673 0.239 1.00 34.34 N ATOM 177 CA PRO A 11 9.620 3.709 -1.158 1.00 41.01 C ATOM 178 C PRO A 11 9.791 2.363 -1.854 1.00 2.24 C ATOM 179 O PRO A 11 10.674 1.579 -1.506 1.00 64.43 O ATOM 180 CB PRO A 11 10.534 4.760 -1.793 1.00 3.34 C ATOM 181 CG PRO A 11 11.758 4.759 -0.945 1.00 61.20 C ATOM 182 CD PRO A 11 11.294 4.453 0.452 1.00 62.11 C ATOM 0 HA PRO A 11 8.558 3.941 -1.244 1.00 41.01 H new ATOM 0 HB2 PRO A 11 10.769 4.508 -2.827 1.00 3.34 H new ATOM 0 HB3 PRO A 11 10.061 5.742 -1.804 1.00 3.34 H new ATOM 0 HG2 PRO A 11 12.472 4.012 -1.291 1.00 61.20 H new ATOM 0 HG3 PRO A 11 12.262 5.725 -0.986 1.00 61.20 H new ATOM 0 HD2 PRO A 11 12.039 3.884 1.007 1.00 62.11 H new ATOM 0 HD3 PRO A 11 11.100 5.363 1.020 1.00 62.11 H new ATOM 190 N LEU A 12 8.941 2.101 -2.841 1.00 53.13 N ATOM 191 CA LEU A 12 8.997 0.849 -3.588 1.00 65.34 C ATOM 192 C LEU A 12 9.950 0.965 -4.774 1.00 41.24 C ATOM 193 O LEU A 12 11.158 0.772 -4.635 1.00 63.45 O ATOM 194 CB LEU A 12 7.602 0.459 -4.076 1.00 0.44 C ATOM 195 CG LEU A 12 6.640 1.616 -4.353 1.00 5.51 C ATOM 196 CD1 LEU A 12 5.680 1.254 -5.475 1.00 14.30 C ATOM 197 CD2 LEU A 12 5.875 1.987 -3.092 1.00 64.02 C ATOM 0 H LEU A 12 8.205 2.739 -3.143 1.00 53.13 H new ATOM 0 HA LEU A 12 9.370 0.073 -2.920 1.00 65.34 H new ATOM 0 HB2 LEU A 12 7.709 -0.125 -4.990 1.00 0.44 H new ATOM 0 HB3 LEU A 12 7.148 -0.195 -3.331 1.00 0.44 H new ATOM 0 HG LEU A 12 7.223 2.482 -4.667 1.00 5.51 H new ATOM 0 HD11 LEU A 12 5.003 2.089 -5.658 1.00 14.30 H new ATOM 0 HD12 LEU A 12 6.245 1.039 -6.382 1.00 14.30 H new ATOM 0 HD13 LEU A 12 5.103 0.374 -5.190 1.00 14.30 H new ATOM 0 HD21 LEU A 12 5.196 2.812 -3.308 1.00 64.02 H new ATOM 0 HD22 LEU A 12 5.302 1.126 -2.747 1.00 64.02 H new ATOM 0 HD23 LEU A 12 6.578 2.290 -2.316 1.00 64.02 H new ATOM 209 N PHE A 13 9.398 1.283 -5.940 1.00 72.21 N ATOM 210 CA PHE A 13 10.198 1.427 -7.151 1.00 11.20 C ATOM 211 C PHE A 13 10.495 2.896 -7.435 1.00 20.40 C ATOM 212 O PHE A 13 11.117 3.583 -6.626 1.00 24.52 O ATOM 213 CB PHE A 13 9.473 0.802 -8.344 1.00 43.34 C ATOM 214 CG PHE A 13 9.015 -0.608 -8.095 1.00 34.23 C ATOM 215 CD1 PHE A 13 7.864 -0.858 -7.366 1.00 31.23 C ATOM 216 CD2 PHE A 13 9.737 -1.682 -8.591 1.00 32.44 C ATOM 217 CE1 PHE A 13 7.439 -2.152 -7.136 1.00 4.40 C ATOM 218 CE2 PHE A 13 9.317 -2.979 -8.365 1.00 42.23 C ATOM 219 CZ PHE A 13 8.167 -3.215 -7.636 1.00 63.24 C ATOM 0 H PHE A 13 8.400 1.446 -6.072 1.00 72.21 H new ATOM 0 HA PHE A 13 11.143 0.907 -6.996 1.00 11.20 H new ATOM 0 HB2 PHE A 13 8.609 1.417 -8.597 1.00 43.34 H new ATOM 0 HB3 PHE A 13 10.136 0.813 -9.209 1.00 43.34 H new ATOM 0 HD1 PHE A 13 7.292 -0.031 -6.973 1.00 31.23 H new ATOM 0 HD2 PHE A 13 10.637 -1.503 -9.160 1.00 32.44 H new ATOM 0 HE1 PHE A 13 6.539 -2.333 -6.566 1.00 4.40 H new ATOM 0 HE2 PHE A 13 9.887 -3.808 -8.758 1.00 42.23 H new ATOM 0 HZ PHE A 13 7.838 -4.228 -7.457 1.00 63.24 H new ATOM 229 N GLY A 14 10.045 3.372 -8.593 1.00 50.44 N ATOM 230 CA GLY A 14 10.273 4.756 -8.965 1.00 75.04 C ATOM 231 C GLY A 14 8.982 5.502 -9.239 1.00 1.13 C ATOM 232 O GLY A 14 9.001 6.673 -9.621 1.00 65.35 O ATOM 0 H GLY A 14 9.527 2.824 -9.279 1.00 50.44 H new ATOM 0 HA2 GLY A 14 10.817 5.259 -8.166 1.00 75.04 H new ATOM 0 HA3 GLY A 14 10.905 4.791 -9.852 1.00 75.04 H new ATOM 236 N LYS A 15 7.856 4.824 -9.046 1.00 54.22 N ATOM 237 CA LYS A 15 6.549 5.428 -9.275 1.00 31.43 C ATOM 238 C LYS A 15 6.125 6.277 -8.080 1.00 41.01 C ATOM 239 O LYS A 15 6.094 7.504 -8.158 1.00 53.42 O ATOM 240 CB LYS A 15 5.502 4.345 -9.543 1.00 42.14 C ATOM 241 CG LYS A 15 6.018 3.199 -10.396 1.00 64.13 C ATOM 242 CD LYS A 15 6.277 1.956 -9.562 1.00 54.32 C ATOM 243 CE LYS A 15 5.060 1.043 -9.528 1.00 74.53 C ATOM 244 NZ LYS A 15 4.750 0.480 -10.870 1.00 45.11 N1+ ATOM 0 H LYS A 15 7.822 3.854 -8.731 1.00 54.22 H new ATOM 0 HA LYS A 15 6.624 6.075 -10.149 1.00 31.43 H new ATOM 0 HB2 LYS A 15 5.150 3.948 -8.591 1.00 42.14 H new ATOM 0 HB3 LYS A 15 4.642 4.797 -10.038 1.00 42.14 H new ATOM 0 HG2 LYS A 15 5.292 2.970 -11.177 1.00 64.13 H new ATOM 0 HG3 LYS A 15 6.938 3.502 -10.895 1.00 64.13 H new ATOM 0 HD2 LYS A 15 7.129 1.413 -9.971 1.00 54.32 H new ATOM 0 HD3 LYS A 15 6.543 2.247 -8.546 1.00 54.32 H new ATOM 0 HE2 LYS A 15 5.237 0.229 -8.825 1.00 74.53 H new ATOM 0 HE3 LYS A 15 4.198 1.600 -9.160 1.00 74.53 H new ATOM 0 HZ1 LYS A 15 4.262 -0.432 -10.760 1.00 45.11 H new ATOM 0 HZ2 LYS A 15 4.138 1.140 -11.390 1.00 45.11 H new ATOM 0 HZ3 LYS A 15 5.634 0.337 -11.399 1.00 45.11 H new ATOM 258 N GLY A 16 5.800 5.612 -6.975 1.00 24.51 N ATOM 259 CA GLY A 16 5.384 6.323 -5.779 1.00 55.44 C ATOM 260 C GLY A 16 6.275 6.026 -4.589 1.00 31.12 C ATOM 261 O GLY A 16 7.444 6.408 -4.571 1.00 50.11 O ATOM 0 H GLY A 16 5.817 4.596 -6.886 1.00 24.51 H new ATOM 0 HA2 GLY A 16 5.392 7.395 -5.976 1.00 55.44 H new ATOM 0 HA3 GLY A 16 4.357 6.051 -5.537 1.00 55.44 H new ATOM 265 N GLY A 17 5.720 5.345 -3.591 1.00 3.41 N ATOM 266 CA GLY A 17 6.487 5.011 -2.405 1.00 74.53 C ATOM 267 C GLY A 17 6.705 6.207 -1.500 1.00 24.23 C ATOM 268 O GLY A 17 6.243 7.310 -1.796 1.00 42.53 O ATOM 0 H GLY A 17 4.754 5.019 -3.583 1.00 3.41 H new ATOM 0 HA2 GLY A 17 5.970 4.229 -1.850 1.00 74.53 H new ATOM 0 HA3 GLY A 17 7.453 4.604 -2.703 1.00 74.53 H new TER 272 GLY A 17