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+ -112:sc= 0.103 (180deg=-0.199) USER MOD ----------------------------------------------------------------- ATOM 23 N TRP A 2 -10.487 -0.321 -0.251 1.00 0.00 N ATOM 24 CA TRP A 2 -9.579 -0.743 -1.278 1.00 0.00 C ATOM 25 C TRP A 2 -8.223 -1.052 -0.684 1.00 0.00 C ATOM 26 O TRP A 2 -7.609 -0.204 -0.048 1.00 0.00 O ATOM 27 CB TRP A 2 -9.440 0.336 -2.359 1.00 0.00 C ATOM 28 CG TRP A 2 -8.798 -0.165 -3.629 1.00 0.00 C ATOM 29 CD1 TRP A 2 -7.495 -0.514 -3.810 1.00 0.00 C ATOM 30 CD2 TRP A 2 -9.438 -0.366 -4.895 1.00 0.00 C ATOM 31 NE1 TRP A 2 -7.291 -0.938 -5.098 1.00 0.00 N ATOM 32 CE2 TRP A 2 -8.463 -0.849 -5.787 1.00 0.00 C ATOM 33 CE3 TRP A 2 -10.739 -0.190 -5.361 1.00 0.00 C ATOM 34 CZ2 TRP A 2 -8.748 -1.157 -7.112 1.00 0.00 C ATOM 35 CZ3 TRP A 2 -11.021 -0.494 -6.676 1.00 0.00 C ATOM 36 CH2 TRP A 2 -10.029 -0.973 -7.536 1.00 0.00 C ATOM 0 HA TRP A 2 -9.982 -1.646 -1.738 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -10.427 0.734 -2.593 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -8.849 1.162 -1.963 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -6.731 -0.464 -3.048 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -6.404 -1.267 -5.479 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -11.513 0.178 -4.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -7.984 -1.528 -7.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -12.026 -0.360 -7.048 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -10.284 -1.202 -8.560 1.00 0.00 H new ATOM 47 N CYS A 3 -7.766 -2.240 -0.887 1.00 0.00 N ATOM 48 CA CYS A 3 -6.455 -2.623 -0.449 1.00 0.00 C ATOM 49 C CYS A 3 -5.573 -2.801 -1.652 1.00 0.00 C ATOM 50 O CYS A 3 -5.934 -3.508 -2.597 1.00 0.00 O ATOM 51 CB CYS A 3 -6.496 -3.889 0.388 1.00 0.00 C ATOM 52 SG CYS A 3 -7.378 -3.718 1.985 1.00 0.00 S ATOM 0 H CYS A 3 -8.286 -2.978 -1.361 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.049 -1.837 0.188 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.973 -4.678 -0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.474 -4.212 0.585 1.00 0.00 H new ATOM 57 N PHE A 4 -4.456 -2.140 -1.640 1.00 0.00 N ATOM 58 CA PHE A 4 -3.533 -2.164 -2.735 1.00 0.00 C ATOM 59 C PHE A 4 -2.124 -2.300 -2.203 1.00 0.00 C ATOM 60 O PHE A 4 -1.896 -2.208 -0.993 1.00 0.00 O ATOM 61 CB PHE A 4 -3.705 -0.908 -3.638 1.00 0.00 C ATOM 62 CG PHE A 4 -3.530 0.440 -2.950 1.00 0.00 C ATOM 63 CD1 PHE A 4 -2.421 1.222 -3.209 1.00 0.00 C ATOM 64 CD2 PHE A 4 -4.483 0.924 -2.063 1.00 0.00 C ATOM 65 CE1 PHE A 4 -2.265 2.453 -2.602 1.00 0.00 C ATOM 66 CE2 PHE A 4 -4.327 2.148 -1.453 1.00 0.00 C ATOM 67 CZ PHE A 4 -3.217 2.913 -1.723 1.00 0.00 C ATOM 0 H PHE A 4 -4.155 -1.559 -0.857 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.741 -3.028 -3.366 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.987 -0.972 -4.455 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.699 -0.939 -4.084 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.666 0.866 -3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.360 0.331 -1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.395 3.055 -2.818 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.076 2.507 -0.763 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.093 3.874 -1.245 1.00 0.00 H new ATOM 77 N ARG A 5 -1.195 -2.533 -3.072 1.00 0.00 N ATOM 78 CA ARG A 5 0.160 -2.740 -2.661 1.00 0.00 C ATOM 79 C ARG A 5 0.952 -1.473 -2.875 1.00 0.00 C ATOM 80 O ARG A 5 0.890 -0.861 -3.954 1.00 0.00 O ATOM 81 CB ARG A 5 0.765 -3.903 -3.444 1.00 0.00 C ATOM 82 CG ARG A 5 2.154 -4.328 -2.995 1.00 0.00 C ATOM 83 CD ARG A 5 2.630 -5.523 -3.805 1.00 0.00 C ATOM 84 NE ARG A 5 1.680 -6.646 -3.718 1.00 0.00 N ATOM 85 CZ ARG A 5 1.737 -7.768 -4.453 1.00 0.00 C ATOM 86 NH1 ARG A 5 2.746 -7.972 -5.295 1.00 0.00 N ATOM 87 NH2 ARG A 5 0.779 -8.680 -4.341 1.00 0.00 N ATOM 0 H ARG A 5 -1.349 -2.585 -4.079 1.00 0.00 H new ATOM 0 HA ARG A 5 0.189 -2.990 -1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.096 -4.760 -3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.809 -3.628 -4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.851 -3.499 -3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.139 -4.582 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.755 -5.231 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.607 -5.843 -3.444 1.00 0.00 H new ATOM 0 HE ARG A 5 0.918 -6.564 -3.045 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.484 -7.273 -5.386 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.782 -8.827 -5.850 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.002 -8.527 -3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.820 -9.533 -4.898 1.00 0.00 H new ATOM 101 N VAL A 6 1.649 -1.060 -1.862 1.00 0.00 N ATOM 102 CA VAL A 6 2.488 0.108 -1.927 1.00 0.00 C ATOM 103 C VAL A 6 3.904 -0.316 -1.667 1.00 0.00 C ATOM 104 O VAL A 6 4.163 -1.059 -0.722 1.00 0.00 O ATOM 105 CB VAL A 6 2.084 1.179 -0.871 1.00 0.00 C ATOM 106 CG1 VAL A 6 2.996 2.399 -0.943 1.00 0.00 C ATOM 107 CG2 VAL A 6 0.651 1.601 -1.063 1.00 0.00 C ATOM 0 H VAL A 6 1.655 -1.526 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 6 2.376 0.555 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 6 2.193 0.725 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.688 3.128 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.025 2.095 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.927 2.847 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.389 2.350 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.527 2.025 -2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.001 0.735 -0.953 1.00 0.00 H new ATOM 117 N CYS A 7 4.793 0.098 -2.507 1.00 0.00 N ATOM 118 CA CYS A 7 6.176 -0.174 -2.308 1.00 0.00 C ATOM 119 C CYS A 7 6.883 1.111 -1.949 1.00 0.00 C ATOM 120 O CYS A 7 6.843 2.102 -2.690 1.00 0.00 O ATOM 121 CB CYS A 7 6.792 -0.857 -3.533 1.00 0.00 C ATOM 122 SG CYS A 7 6.039 -2.484 -3.938 1.00 0.00 S ATOM 0 H CYS A 7 4.581 0.633 -3.349 1.00 0.00 H new ATOM 0 HA CYS A 7 6.295 -0.876 -1.482 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.690 -0.197 -4.394 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.860 -0.995 -3.361 1.00 0.00 H new ATOM 127 N TYR A 8 7.462 1.110 -0.789 1.00 0.00 N ATOM 128 CA TYR A 8 8.148 2.239 -0.261 1.00 0.00 C ATOM 129 C TYR A 8 9.590 1.878 0.010 1.00 0.00 C ATOM 130 O TYR A 8 9.883 1.114 0.924 1.00 0.00 O ATOM 131 CB TYR A 8 7.434 2.720 1.015 1.00 0.00 C ATOM 132 CG TYR A 8 8.122 3.846 1.754 1.00 0.00 C ATOM 133 CD1 TYR A 8 8.087 5.152 1.284 1.00 0.00 C ATOM 134 CD2 TYR A 8 8.796 3.596 2.937 1.00 0.00 C ATOM 135 CE1 TYR A 8 8.712 6.173 1.976 1.00 0.00 C ATOM 136 CE2 TYR A 8 9.419 4.603 3.630 1.00 0.00 C ATOM 137 CZ TYR A 8 9.375 5.887 3.150 1.00 0.00 C ATOM 138 OH TYR A 8 10.004 6.883 3.845 1.00 0.00 O ATOM 0 H TYR A 8 7.468 0.300 -0.169 1.00 0.00 H new ATOM 0 HA TYR A 8 8.139 3.055 -0.983 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.428 3.043 0.749 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.328 1.873 1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 8 7.564 5.373 0.365 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.832 2.588 3.322 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.681 7.185 1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 8 9.942 4.385 4.550 1.00 0.00 H new ATOM 0 HH TYR A 8 10.420 6.508 4.649 1.00 0.00 H new ATOM 148 N ARG A 9 10.471 2.355 -0.861 1.00 0.00 N ATOM 149 CA ARG A 9 11.928 2.188 -0.741 1.00 0.00 C ATOM 150 C ARG A 9 12.323 0.705 -0.758 1.00 0.00 C ATOM 151 O ARG A 9 13.332 0.305 -0.171 1.00 0.00 O ATOM 152 CB ARG A 9 12.462 2.889 0.527 1.00 0.00 C ATOM 153 CG ARG A 9 12.081 4.365 0.629 1.00 0.00 C ATOM 154 CD ARG A 9 12.781 5.047 1.793 1.00 0.00 C ATOM 155 NE ARG A 9 14.228 5.150 1.569 1.00 0.00 N ATOM 156 CZ ARG A 9 15.141 5.466 2.493 1.00 0.00 C ATOM 157 NH1 ARG A 9 14.785 5.658 3.750 1.00 0.00 N ATOM 158 NH2 ARG A 9 16.412 5.598 2.140 1.00 0.00 N ATOM 0 H ARG A 9 10.194 2.881 -1.690 1.00 0.00 H new ATOM 0 HA ARG A 9 12.388 2.662 -1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.084 2.365 1.405 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.548 2.803 0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.341 4.873 -0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.002 4.455 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.363 6.043 1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.593 4.488 2.709 1.00 0.00 H new ATOM 0 HE ARG A 9 14.567 4.964 0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.807 5.565 4.023 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.489 5.899 4.448 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.688 5.459 1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.113 5.839 2.840 1.00 0.00 H new ATOM 172 N GLY A 10 11.538 -0.087 -1.460 1.00 0.00 N ATOM 173 CA GLY A 10 11.793 -1.508 -1.587 1.00 0.00 C ATOM 174 C GLY A 10 10.925 -2.336 -0.662 1.00 0.00 C ATOM 175 O GLY A 10 10.872 -3.571 -0.772 1.00 0.00 O ATOM 0 H GLY A 10 10.708 0.235 -1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.617 -1.815 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.843 -1.707 -1.370 1.00 0.00 H new ATOM 179 N ILE A 11 10.243 -1.668 0.237 1.00 0.00 N ATOM 180 CA ILE A 11 9.371 -2.317 1.192 1.00 0.00 C ATOM 181 C ILE A 11 7.959 -2.289 0.643 1.00 0.00 C ATOM 182 O ILE A 11 7.346 -1.230 0.557 1.00 0.00 O ATOM 183 CB ILE A 11 9.383 -1.562 2.542 1.00 0.00 C ATOM 184 CG1 ILE A 11 10.820 -1.349 3.019 1.00 0.00 C ATOM 185 CG2 ILE A 11 8.581 -2.337 3.594 1.00 0.00 C ATOM 186 CD1 ILE A 11 10.939 -0.369 4.165 1.00 0.00 C ATOM 0 H ILE A 11 10.276 -0.653 0.329 1.00 0.00 H new ATOM 0 HA ILE A 11 9.715 -3.339 1.352 1.00 0.00 H new ATOM 0 HB ILE A 11 8.916 -0.587 2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.238 -2.308 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.422 -0.993 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.599 -1.793 4.538 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.550 -2.446 3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.023 -3.323 3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.986 -0.268 4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.552 0.602 3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.365 -0.734 5.017 1.00 0.00 H new ATOM 198 N CYS A 12 7.469 -3.409 0.237 1.00 0.00 N ATOM 199 CA CYS A 12 6.130 -3.481 -0.289 1.00 0.00 C ATOM 200 C CYS A 12 5.187 -3.973 0.779 1.00 0.00 C ATOM 201 O CYS A 12 5.458 -4.982 1.449 1.00 0.00 O ATOM 202 CB CYS A 12 6.067 -4.368 -1.529 1.00 0.00 C ATOM 203 SG CYS A 12 7.157 -3.827 -2.893 1.00 0.00 S ATOM 0 H CYS A 12 7.970 -4.297 0.255 1.00 0.00 H new ATOM 0 HA CYS A 12 5.824 -2.480 -0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.334 -5.387 -1.247 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.039 -4.396 -1.890 1.00 0.00 H new ATOM 208 N TYR A 13 4.109 -3.260 0.975 1.00 0.00 N ATOM 209 CA TYR A 13 3.149 -3.606 1.962 1.00 0.00 C ATOM 210 C TYR A 13 1.760 -3.397 1.434 1.00 0.00 C ATOM 211 O TYR A 13 1.557 -2.715 0.415 1.00 0.00 O ATOM 212 CB TYR A 13 3.371 -2.813 3.270 1.00 0.00 C ATOM 213 CG TYR A 13 3.380 -1.297 3.124 1.00 0.00 C ATOM 214 CD1 TYR A 13 2.201 -0.557 3.173 1.00 0.00 C ATOM 215 CD2 TYR A 13 4.574 -0.608 2.963 1.00 0.00 C ATOM 216 CE1 TYR A 13 2.221 0.812 3.061 1.00 0.00 C ATOM 217 CE2 TYR A 13 4.597 0.762 2.848 1.00 0.00 C ATOM 218 CZ TYR A 13 3.418 1.467 2.898 1.00 0.00 C ATOM 219 OH TYR A 13 3.429 2.831 2.792 1.00 0.00 O ATOM 0 H TYR A 13 3.881 -2.419 0.445 1.00 0.00 H new ATOM 0 HA TYR A 13 3.274 -4.663 2.199 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.589 -3.088 3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.320 -3.124 3.706 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.258 -1.067 3.301 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.503 -1.158 2.927 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.298 1.372 3.101 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.535 1.281 2.719 1.00 0.00 H new ATOM 0 HH TYR A 13 4.351 3.143 2.682 1.00 0.00 H new ATOM 229 N ARG A 14 0.832 -3.982 2.109 1.00 0.00 N ATOM 230 CA ARG A 14 -0.551 -3.876 1.790 1.00 0.00 C ATOM 231 C ARG A 14 -1.123 -2.643 2.455 1.00 0.00 C ATOM 232 O ARG A 14 -1.285 -2.600 3.681 1.00 0.00 O ATOM 233 CB ARG A 14 -1.279 -5.123 2.283 1.00 0.00 C ATOM 234 CG ARG A 14 -2.790 -5.047 2.208 1.00 0.00 C ATOM 235 CD ARG A 14 -3.401 -6.251 2.871 1.00 0.00 C ATOM 236 NE ARG A 14 -4.840 -6.118 3.050 1.00 0.00 N ATOM 237 CZ ARG A 14 -5.571 -6.887 3.856 1.00 0.00 C ATOM 238 NH1 ARG A 14 -4.989 -7.844 4.575 1.00 0.00 N ATOM 239 NH2 ARG A 14 -6.880 -6.691 3.951 1.00 0.00 N ATOM 0 H ARG A 14 1.020 -4.566 2.924 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.678 -3.792 0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.943 -5.978 1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.989 -5.311 3.317 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.141 -4.137 2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.108 -4.995 1.167 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.193 -7.137 2.271 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.930 -6.406 3.842 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.320 -5.388 2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.982 -7.990 4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.550 -8.432 5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.326 -5.952 3.407 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.440 -7.279 4.568 1.00 0.00 H new ATOM 253 N LYS A 15 -1.361 -1.636 1.683 1.00 0.00 N ATOM 254 CA LYS A 15 -1.985 -0.453 2.195 1.00 0.00 C ATOM 255 C LYS A 15 -3.461 -0.497 1.858 1.00 0.00 C ATOM 256 O LYS A 15 -3.846 -0.746 0.717 1.00 0.00 O ATOM 257 CB LYS A 15 -1.351 0.812 1.620 1.00 0.00 C ATOM 258 CG LYS A 15 -1.886 2.117 2.216 1.00 0.00 C ATOM 259 CD LYS A 15 -1.486 2.261 3.680 1.00 0.00 C ATOM 260 CE LYS A 15 -2.135 3.469 4.344 1.00 0.00 C ATOM 261 NZ LYS A 15 -3.613 3.357 4.406 1.00 0.00 N ATOM 0 H LYS A 15 -1.133 -1.605 0.689 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.845 -0.423 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.274 0.769 1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.512 0.827 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.502 2.964 1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.972 2.141 2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.768 1.358 4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.402 2.350 3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.740 3.581 5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.865 4.371 3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.042 4.067 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.902 2.406 4.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.933 3.520 5.382 1.00 0.00 H new ATOM 275 N CYS A 16 -4.270 -0.298 2.833 1.00 0.00 N ATOM 276 CA CYS A 16 -5.686 -0.289 2.639 1.00 0.00 C ATOM 277 C CYS A 16 -6.231 1.107 2.817 1.00 0.00 C ATOM 278 O CYS A 16 -5.998 1.760 3.842 1.00 0.00 O ATOM 279 CB CYS A 16 -6.393 -1.288 3.565 1.00 0.00 C ATOM 280 SG CYS A 16 -5.948 -3.043 3.271 1.00 0.00 S ATOM 0 H CYS A 16 -3.974 -0.135 3.796 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.888 -0.608 1.617 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.158 -1.035 4.599 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.471 -1.175 3.446 1.00 0.00 H new ATOM 285 N ARG A 17 -6.905 1.570 1.809 1.00 0.00 N ATOM 286 CA ARG A 17 -7.544 2.847 1.802 1.00 0.00 C ATOM 287 C ARG A 17 -9.031 2.590 1.858 1.00 0.00 C ATOM 288 O ARG A 17 -9.675 2.356 0.822 1.00 0.00 O ATOM 289 CB ARG A 17 -7.173 3.623 0.525 1.00 0.00 C ATOM 290 CG ARG A 17 -7.849 4.977 0.379 1.00 0.00 C ATOM 291 CD ARG A 17 -7.460 5.648 -0.928 1.00 0.00 C ATOM 292 NE ARG A 17 -6.032 6.000 -0.978 1.00 0.00 N ATOM 293 CZ ARG A 17 -5.233 5.867 -2.051 1.00 0.00 C ATOM 294 NH1 ARG A 17 -5.666 5.231 -3.137 1.00 0.00 N ATOM 295 NH2 ARG A 17 -3.997 6.352 -2.021 1.00 0.00 N ATOM 0 H ARG A 17 -7.028 1.050 0.940 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.225 3.451 2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.093 3.769 0.507 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.427 3.011 -0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.931 4.852 0.419 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.571 5.617 1.216 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.696 4.983 -1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.058 6.549 -1.062 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.613 6.376 -0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.608 4.841 -3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.055 5.133 -3.948 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.655 6.825 -1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.390 6.252 -2.834 1.00 0.00 H new