USER MOD reduce.3.24.130724 H: found=0, std=0, add=140, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 141 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= -0.013 (180deg=-0.12) USER MOD ----------------------------------------------------------------- ATOM 23 N TRP A 2 -10.349 0.054 -0.473 1.00 0.00 N ATOM 24 CA TRP A 2 -9.328 -0.233 -1.436 1.00 0.00 C ATOM 25 C TRP A 2 -8.056 -0.683 -0.748 1.00 0.00 C ATOM 26 O TRP A 2 -7.504 0.035 0.084 1.00 0.00 O ATOM 27 CB TRP A 2 -9.057 1.005 -2.291 1.00 0.00 C ATOM 28 CG TRP A 2 -8.283 0.733 -3.550 1.00 0.00 C ATOM 29 CD1 TRP A 2 -6.982 0.353 -3.653 1.00 0.00 C ATOM 30 CD2 TRP A 2 -8.773 0.843 -4.894 1.00 0.00 C ATOM 31 NE1 TRP A 2 -6.635 0.212 -4.972 1.00 0.00 N ATOM 32 CE2 TRP A 2 -7.715 0.508 -5.752 1.00 0.00 C ATOM 33 CE3 TRP A 2 -10.004 1.188 -5.450 1.00 0.00 C ATOM 34 CZ2 TRP A 2 -7.849 0.506 -7.136 1.00 0.00 C ATOM 35 CZ3 TRP A 2 -10.137 1.187 -6.825 1.00 0.00 C ATOM 36 CH2 TRP A 2 -9.065 0.847 -7.654 1.00 0.00 C ATOM 0 HA TRP A 2 -9.673 -1.042 -2.080 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -10.009 1.464 -2.557 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -8.509 1.732 -1.692 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -6.318 0.186 -2.818 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -5.717 -0.069 -5.315 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -10.839 1.451 -4.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -7.021 0.244 -7.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -11.086 1.454 -7.267 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -9.201 0.854 -8.725 1.00 0.00 H new ATOM 47 N CYS A 3 -7.621 -1.858 -1.075 1.00 0.00 N ATOM 48 CA CYS A 3 -6.372 -2.389 -0.602 1.00 0.00 C ATOM 49 C CYS A 3 -5.470 -2.567 -1.785 1.00 0.00 C ATOM 50 O CYS A 3 -5.876 -3.150 -2.793 1.00 0.00 O ATOM 51 CB CYS A 3 -6.571 -3.725 0.088 1.00 0.00 C ATOM 52 SG CYS A 3 -7.533 -3.668 1.636 1.00 0.00 S ATOM 0 H CYS A 3 -8.131 -2.492 -1.690 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.937 -1.701 0.123 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.069 -4.402 -0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.592 -4.153 0.304 1.00 0.00 H new ATOM 57 N PHE A 4 -4.282 -2.064 -1.693 1.00 0.00 N ATOM 58 CA PHE A 4 -3.356 -2.141 -2.785 1.00 0.00 C ATOM 59 C PHE A 4 -1.961 -2.327 -2.252 1.00 0.00 C ATOM 60 O PHE A 4 -1.733 -2.229 -1.034 1.00 0.00 O ATOM 61 CB PHE A 4 -3.456 -0.888 -3.684 1.00 0.00 C ATOM 62 CG PHE A 4 -3.084 0.426 -3.030 1.00 0.00 C ATOM 63 CD1 PHE A 4 -3.838 0.957 -1.990 1.00 0.00 C ATOM 64 CD2 PHE A 4 -1.996 1.135 -3.479 1.00 0.00 C ATOM 65 CE1 PHE A 4 -3.505 2.161 -1.419 1.00 0.00 C ATOM 66 CE2 PHE A 4 -1.658 2.339 -2.910 1.00 0.00 C ATOM 67 CZ PHE A 4 -2.411 2.855 -1.877 1.00 0.00 C ATOM 0 H PHE A 4 -3.923 -1.589 -0.864 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.607 -3.001 -3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.813 -1.035 -4.552 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.478 -0.811 -4.054 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.698 0.415 -1.626 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.400 0.741 -4.289 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.101 2.561 -0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.799 2.883 -3.273 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.142 3.801 -1.430 1.00 0.00 H new ATOM 77 N ARG A 5 -1.046 -2.615 -3.126 1.00 0.00 N ATOM 78 CA ARG A 5 0.304 -2.833 -2.735 1.00 0.00 C ATOM 79 C ARG A 5 1.054 -1.530 -2.841 1.00 0.00 C ATOM 80 O ARG A 5 0.945 -0.816 -3.846 1.00 0.00 O ATOM 81 CB ARG A 5 0.952 -3.879 -3.629 1.00 0.00 C ATOM 82 CG ARG A 5 2.252 -4.434 -3.080 1.00 0.00 C ATOM 83 CD ARG A 5 2.843 -5.474 -4.010 1.00 0.00 C ATOM 84 NE ARG A 5 3.941 -6.196 -3.368 1.00 0.00 N ATOM 85 CZ ARG A 5 5.027 -6.674 -3.974 1.00 0.00 C ATOM 86 NH1 ARG A 5 5.219 -6.477 -5.274 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.928 -7.358 -3.269 1.00 0.00 N ATOM 0 H ARG A 5 -1.218 -2.704 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 5 0.332 -3.196 -1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.251 -4.701 -3.778 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.140 -3.440 -4.609 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.965 -3.622 -2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.075 -4.878 -2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.068 -6.179 -4.311 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.204 -4.991 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 5 3.869 -6.348 -2.362 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.531 -5.955 -5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.054 -6.847 -5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.784 -7.513 -2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.761 -7.726 -3.727 1.00 0.00 H new ATOM 101 N VAL A 6 1.758 -1.192 -1.817 1.00 0.00 N ATOM 102 CA VAL A 6 2.559 -0.007 -1.816 1.00 0.00 C ATOM 103 C VAL A 6 3.996 -0.411 -1.680 1.00 0.00 C ATOM 104 O VAL A 6 4.373 -1.010 -0.683 1.00 0.00 O ATOM 105 CB VAL A 6 2.201 0.953 -0.649 1.00 0.00 C ATOM 106 CG1 VAL A 6 2.996 2.250 -0.744 1.00 0.00 C ATOM 107 CG2 VAL A 6 0.719 1.248 -0.619 1.00 0.00 C ATOM 0 H VAL A 6 1.798 -1.729 -0.951 1.00 0.00 H new ATOM 0 HA VAL A 6 2.373 0.525 -2.749 1.00 0.00 H new ATOM 0 HB VAL A 6 2.469 0.452 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.726 2.904 0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.062 2.027 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.769 2.747 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.499 1.922 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.422 1.716 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.166 0.318 -0.486 1.00 0.00 H new ATOM 117 N CYS A 7 4.768 -0.133 -2.676 1.00 0.00 N ATOM 118 CA CYS A 7 6.173 -0.386 -2.629 1.00 0.00 C ATOM 119 C CYS A 7 6.903 0.926 -2.539 1.00 0.00 C ATOM 120 O CYS A 7 6.764 1.800 -3.411 1.00 0.00 O ATOM 121 CB CYS A 7 6.632 -1.192 -3.843 1.00 0.00 C ATOM 122 SG CYS A 7 6.041 -2.922 -3.868 1.00 0.00 S ATOM 0 H CYS A 7 4.443 0.278 -3.551 1.00 0.00 H new ATOM 0 HA CYS A 7 6.400 -0.985 -1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.289 -0.690 -4.748 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.722 -1.193 -3.873 1.00 0.00 H new ATOM 127 N TYR A 8 7.631 1.083 -1.477 1.00 0.00 N ATOM 128 CA TYR A 8 8.350 2.288 -1.207 1.00 0.00 C ATOM 129 C TYR A 8 9.699 1.961 -0.594 1.00 0.00 C ATOM 130 O TYR A 8 9.765 1.409 0.493 1.00 0.00 O ATOM 131 CB TYR A 8 7.510 3.163 -0.265 1.00 0.00 C ATOM 132 CG TYR A 8 8.190 4.421 0.216 1.00 0.00 C ATOM 133 CD1 TYR A 8 8.456 4.607 1.562 1.00 0.00 C ATOM 134 CD2 TYR A 8 8.576 5.413 -0.669 1.00 0.00 C ATOM 135 CE1 TYR A 8 9.080 5.744 2.010 1.00 0.00 C ATOM 136 CE2 TYR A 8 9.202 6.551 -0.225 1.00 0.00 C ATOM 137 CZ TYR A 8 9.450 6.715 1.113 1.00 0.00 C ATOM 138 OH TYR A 8 10.081 7.847 1.556 1.00 0.00 O ATOM 0 H TYR A 8 7.744 0.365 -0.762 1.00 0.00 H new ATOM 0 HA TYR A 8 8.530 2.835 -2.133 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.588 3.440 -0.777 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.226 2.567 0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 8 8.168 3.845 2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.382 5.290 -1.724 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.279 5.874 3.063 1.00 0.00 H new ATOM 0 HE2 TYR A 8 9.498 7.315 -0.928 1.00 0.00 H new ATOM 0 HH TYR A 8 10.276 8.432 0.794 1.00 0.00 H new ATOM 148 N ARG A 9 10.766 2.258 -1.332 1.00 0.00 N ATOM 149 CA ARG A 9 12.169 2.054 -0.893 1.00 0.00 C ATOM 150 C ARG A 9 12.501 0.570 -0.724 1.00 0.00 C ATOM 151 O ARG A 9 13.487 0.198 -0.060 1.00 0.00 O ATOM 152 CB ARG A 9 12.475 2.816 0.405 1.00 0.00 C ATOM 153 CG ARG A 9 12.306 4.317 0.310 1.00 0.00 C ATOM 154 CD ARG A 9 12.708 4.984 1.609 1.00 0.00 C ATOM 155 NE ARG A 9 11.928 4.501 2.764 1.00 0.00 N ATOM 156 CZ ARG A 9 12.404 4.403 4.014 1.00 0.00 C ATOM 157 NH1 ARG A 9 13.681 4.693 4.268 1.00 0.00 N ATOM 158 NH2 ARG A 9 11.607 4.010 4.996 1.00 0.00 N ATOM 0 H ARG A 9 10.693 2.654 -2.269 1.00 0.00 H new ATOM 0 HA ARG A 9 12.803 2.457 -1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.824 2.440 1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.500 2.597 0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.914 4.705 -0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.268 4.557 0.078 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.768 4.805 1.791 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.578 6.062 1.514 1.00 0.00 H new ATOM 0 HE ARG A 9 10.960 4.222 2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.297 4.990 3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.042 4.618 5.219 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.632 3.782 4.801 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.968 3.935 5.947 1.00 0.00 H new ATOM 172 N GLY A 10 11.712 -0.259 -1.361 1.00 0.00 N ATOM 173 CA GLY A 10 11.875 -1.683 -1.267 1.00 0.00 C ATOM 174 C GLY A 10 10.889 -2.287 -0.298 1.00 0.00 C ATOM 175 O GLY A 10 10.724 -3.504 -0.240 1.00 0.00 O ATOM 0 H GLY A 10 10.940 0.037 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.742 -2.132 -2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.891 -1.914 -0.946 1.00 0.00 H new ATOM 179 N ILE A 11 10.214 -1.435 0.434 1.00 0.00 N ATOM 180 CA ILE A 11 9.253 -1.849 1.421 1.00 0.00 C ATOM 181 C ILE A 11 7.905 -1.961 0.745 1.00 0.00 C ATOM 182 O ILE A 11 7.304 -0.952 0.378 1.00 0.00 O ATOM 183 CB ILE A 11 9.135 -0.799 2.554 1.00 0.00 C ATOM 184 CG1 ILE A 11 10.520 -0.419 3.075 1.00 0.00 C ATOM 185 CG2 ILE A 11 8.277 -1.344 3.699 1.00 0.00 C ATOM 186 CD1 ILE A 11 10.516 0.798 3.971 1.00 0.00 C ATOM 0 H ILE A 11 10.319 -0.423 0.359 1.00 0.00 H new ATOM 0 HA ILE A 11 9.572 -2.799 1.849 1.00 0.00 H new ATOM 0 HB ILE A 11 8.656 0.092 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.937 -1.263 3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.180 -0.234 2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.204 -0.595 4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.280 -1.578 3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.736 -2.248 4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.533 1.009 4.303 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.130 1.655 3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.883 0.609 4.838 1.00 0.00 H new ATOM 198 N CYS A 12 7.476 -3.152 0.514 1.00 0.00 N ATOM 199 CA CYS A 12 6.183 -3.374 -0.072 1.00 0.00 C ATOM 200 C CYS A 12 5.221 -3.836 0.995 1.00 0.00 C ATOM 201 O CYS A 12 5.494 -4.804 1.717 1.00 0.00 O ATOM 202 CB CYS A 12 6.253 -4.383 -1.211 1.00 0.00 C ATOM 203 SG CYS A 12 7.317 -3.885 -2.607 1.00 0.00 S ATOM 0 H CYS A 12 8.001 -4.001 0.721 1.00 0.00 H new ATOM 0 HA CYS A 12 5.827 -2.435 -0.496 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.616 -5.332 -0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.244 -4.558 -1.585 1.00 0.00 H new ATOM 208 N TYR A 13 4.135 -3.137 1.139 1.00 0.00 N ATOM 209 CA TYR A 13 3.157 -3.464 2.126 1.00 0.00 C ATOM 210 C TYR A 13 1.775 -3.320 1.556 1.00 0.00 C ATOM 211 O TYR A 13 1.569 -2.603 0.563 1.00 0.00 O ATOM 212 CB TYR A 13 3.341 -2.617 3.406 1.00 0.00 C ATOM 213 CG TYR A 13 3.365 -1.107 3.197 1.00 0.00 C ATOM 214 CD1 TYR A 13 2.223 -0.335 3.371 1.00 0.00 C ATOM 215 CD2 TYR A 13 4.540 -0.461 2.838 1.00 0.00 C ATOM 216 CE1 TYR A 13 2.259 1.032 3.195 1.00 0.00 C ATOM 217 CE2 TYR A 13 4.581 0.900 2.658 1.00 0.00 C ATOM 218 CZ TYR A 13 3.442 1.641 2.836 1.00 0.00 C ATOM 219 OH TYR A 13 3.483 2.998 2.667 1.00 0.00 O ATOM 0 H TYR A 13 3.904 -2.321 0.572 1.00 0.00 H new ATOM 0 HA TYR A 13 3.295 -4.506 2.416 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.534 -2.857 4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.273 -2.914 3.886 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.295 -0.812 3.648 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.440 -1.040 2.697 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.366 1.622 3.338 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.505 1.383 2.378 1.00 0.00 H new ATOM 0 HH TYR A 13 4.391 3.269 2.416 1.00 0.00 H new ATOM 229 N ARG A 14 0.849 -4.006 2.144 1.00 0.00 N ATOM 230 CA ARG A 14 -0.506 -3.976 1.707 1.00 0.00 C ATOM 231 C ARG A 14 -1.225 -2.870 2.459 1.00 0.00 C ATOM 232 O ARG A 14 -1.549 -3.016 3.645 1.00 0.00 O ATOM 233 CB ARG A 14 -1.169 -5.328 1.985 1.00 0.00 C ATOM 234 CG ARG A 14 -2.522 -5.529 1.327 1.00 0.00 C ATOM 235 CD ARG A 14 -2.393 -5.574 -0.182 1.00 0.00 C ATOM 236 NE ARG A 14 -3.663 -5.879 -0.843 1.00 0.00 N ATOM 237 CZ ARG A 14 -3.836 -5.951 -2.167 1.00 0.00 C ATOM 238 NH1 ARG A 14 -2.789 -5.851 -2.979 1.00 0.00 N ATOM 239 NH2 ARG A 14 -5.045 -6.190 -2.665 1.00 0.00 N ATOM 0 H ARG A 14 1.016 -4.609 2.950 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.555 -3.785 0.635 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.498 -6.120 1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.286 -5.443 3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.970 -6.456 1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.193 -4.720 1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.021 -4.614 -0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.653 -6.325 -0.458 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.475 -6.049 -0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.854 -5.719 -2.592 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.920 -5.906 -3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.839 -6.318 -2.037 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.179 -6.245 -3.675 1.00 0.00 H new ATOM 253 N LYS A 15 -1.402 -1.758 1.821 1.00 0.00 N ATOM 254 CA LYS A 15 -2.098 -0.656 2.437 1.00 0.00 C ATOM 255 C LYS A 15 -3.567 -0.708 2.076 1.00 0.00 C ATOM 256 O LYS A 15 -3.926 -0.898 0.909 1.00 0.00 O ATOM 257 CB LYS A 15 -1.493 0.684 2.017 1.00 0.00 C ATOM 258 CG LYS A 15 -2.136 1.904 2.671 1.00 0.00 C ATOM 259 CD LYS A 15 -1.465 3.187 2.219 1.00 0.00 C ATOM 260 CE LYS A 15 -2.084 4.422 2.871 1.00 0.00 C ATOM 261 NZ LYS A 15 -1.948 4.418 4.344 1.00 0.00 N ATOM 0 H LYS A 15 -1.076 -1.581 0.871 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.992 -0.745 3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.429 0.678 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.576 0.782 0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.196 1.937 2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.067 1.817 3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.403 3.144 2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.542 3.273 1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.609 5.317 2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.140 4.476 2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.245 5.340 4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.548 3.670 4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.956 4.241 4.601 1.00 0.00 H new ATOM 275 N CYS A 16 -4.397 -0.576 3.065 1.00 0.00 N ATOM 276 CA CYS A 16 -5.822 -0.555 2.876 1.00 0.00 C ATOM 277 C CYS A 16 -6.374 0.790 3.268 1.00 0.00 C ATOM 278 O CYS A 16 -5.994 1.354 4.295 1.00 0.00 O ATOM 279 CB CYS A 16 -6.506 -1.667 3.667 1.00 0.00 C ATOM 280 SG CYS A 16 -6.129 -3.354 3.079 1.00 0.00 S ATOM 0 H CYS A 16 -4.105 -0.479 4.037 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.027 -0.729 1.820 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.211 -1.586 4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.584 -1.514 3.627 1.00 0.00 H new ATOM 285 N ARG A 17 -7.206 1.333 2.425 1.00 0.00 N ATOM 286 CA ARG A 17 -7.831 2.599 2.661 1.00 0.00 C ATOM 287 C ARG A 17 -9.322 2.438 2.443 1.00 0.00 C ATOM 288 O ARG A 17 -9.795 2.493 1.297 1.00 0.00 O ATOM 289 CB ARG A 17 -7.319 3.641 1.676 1.00 0.00 C ATOM 290 CG ARG A 17 -5.808 3.782 1.584 1.00 0.00 C ATOM 291 CD ARG A 17 -5.424 4.832 0.555 1.00 0.00 C ATOM 292 NE ARG A 17 -6.041 4.554 -0.755 1.00 0.00 N ATOM 293 CZ ARG A 17 -5.596 4.979 -1.940 1.00 0.00 C ATOM 294 NH1 ARG A 17 -4.489 5.708 -2.034 1.00 0.00 N ATOM 295 NH2 ARG A 17 -6.268 4.674 -3.036 1.00 0.00 N ATOM 0 H ARG A 17 -7.472 0.900 1.541 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.607 2.925 3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.703 3.396 0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.739 4.609 1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.404 4.057 2.558 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.365 2.823 1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.736 5.816 0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.340 4.860 0.449 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.887 3.984 -0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.965 5.951 -1.193 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.163 6.025 -2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.121 4.117 -2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.934 4.995 -3.945 1.00 0.00 H new