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+ -173:sc= 1.12 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 23 N TRP A 2 -10.401 -0.620 -0.244 1.00 0.00 N ATOM 24 CA TRP A 2 -9.475 -1.005 -1.276 1.00 0.00 C ATOM 25 C TRP A 2 -8.106 -1.212 -0.663 1.00 0.00 C ATOM 26 O TRP A 2 -7.557 -0.317 -0.031 1.00 0.00 O ATOM 27 CB TRP A 2 -9.408 0.080 -2.369 1.00 0.00 C ATOM 28 CG TRP A 2 -8.660 -0.329 -3.622 1.00 0.00 C ATOM 29 CD1 TRP A 2 -7.324 -0.580 -3.749 1.00 0.00 C ATOM 30 CD2 TRP A 2 -9.217 -0.499 -4.933 1.00 0.00 C ATOM 31 NE1 TRP A 2 -7.024 -0.921 -5.046 1.00 0.00 N ATOM 32 CE2 TRP A 2 -8.163 -0.872 -5.793 1.00 0.00 C ATOM 33 CE3 TRP A 2 -10.505 -0.380 -5.462 1.00 0.00 C ATOM 34 CZ2 TRP A 2 -8.359 -1.125 -7.148 1.00 0.00 C ATOM 35 CZ3 TRP A 2 -10.696 -0.629 -6.808 1.00 0.00 C ATOM 36 CH2 TRP A 2 -9.629 -0.999 -7.635 1.00 0.00 C ATOM 0 HA TRP A 2 -9.813 -1.934 -1.735 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -10.424 0.362 -2.645 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -8.933 0.968 -1.952 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -6.606 -0.519 -2.945 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -6.098 -1.171 -5.394 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -11.335 -0.099 -4.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -7.538 -1.410 -7.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -11.686 -0.536 -7.229 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -9.814 -1.189 -8.682 1.00 0.00 H new ATOM 47 N CYS A 3 -7.567 -2.364 -0.842 1.00 0.00 N ATOM 48 CA CYS A 3 -6.253 -2.653 -0.346 1.00 0.00 C ATOM 49 C CYS A 3 -5.309 -2.760 -1.504 1.00 0.00 C ATOM 50 O CYS A 3 -5.517 -3.561 -2.413 1.00 0.00 O ATOM 51 CB CYS A 3 -6.255 -3.921 0.495 1.00 0.00 C ATOM 52 SG CYS A 3 -7.246 -3.794 2.029 1.00 0.00 S ATOM 0 H CYS A 3 -8.016 -3.137 -1.334 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.922 -1.844 0.305 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.640 -4.744 -0.107 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.227 -4.172 0.758 1.00 0.00 H new ATOM 57 N PHE A 4 -4.306 -1.935 -1.504 1.00 0.00 N ATOM 58 CA PHE A 4 -3.377 -1.889 -2.592 1.00 0.00 C ATOM 59 C PHE A 4 -1.966 -1.988 -2.075 1.00 0.00 C ATOM 60 O PHE A 4 -1.713 -1.790 -0.884 1.00 0.00 O ATOM 61 CB PHE A 4 -3.588 -0.624 -3.466 1.00 0.00 C ATOM 62 CG PHE A 4 -3.425 0.707 -2.761 1.00 0.00 C ATOM 63 CD1 PHE A 4 -2.301 1.482 -2.976 1.00 0.00 C ATOM 64 CD2 PHE A 4 -4.402 1.186 -1.899 1.00 0.00 C ATOM 65 CE1 PHE A 4 -2.152 2.704 -2.351 1.00 0.00 C ATOM 66 CE2 PHE A 4 -4.256 2.401 -1.270 1.00 0.00 C ATOM 67 CZ PHE A 4 -3.130 3.163 -1.495 1.00 0.00 C ATOM 0 H PHE A 4 -4.109 -1.276 -0.751 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.559 -2.747 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.884 -0.660 -4.298 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.590 -0.665 -3.894 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.529 1.127 -3.642 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.289 0.597 -1.720 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.270 3.300 -2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.024 2.758 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.014 4.117 -1.002 1.00 0.00 H new ATOM 77 N ARG A 5 -1.062 -2.307 -2.939 1.00 0.00 N ATOM 78 CA ARG A 5 0.295 -2.485 -2.545 1.00 0.00 C ATOM 79 C ARG A 5 1.054 -1.180 -2.675 1.00 0.00 C ATOM 80 O ARG A 5 1.041 -0.538 -3.732 1.00 0.00 O ATOM 81 CB ARG A 5 0.954 -3.560 -3.388 1.00 0.00 C ATOM 82 CG ARG A 5 2.320 -3.966 -2.880 1.00 0.00 C ATOM 83 CD ARG A 5 2.963 -4.991 -3.781 1.00 0.00 C ATOM 84 NE ARG A 5 3.303 -4.441 -5.088 1.00 0.00 N ATOM 85 CZ ARG A 5 4.227 -4.943 -5.911 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.874 -6.070 -5.592 1.00 0.00 N ATOM 87 NH2 ARG A 5 4.496 -4.320 -7.047 1.00 0.00 N ATOM 0 H ARG A 5 -1.241 -2.451 -3.933 1.00 0.00 H new ATOM 0 HA ARG A 5 0.315 -2.800 -1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.308 -4.438 -3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.047 -3.202 -4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.960 -3.087 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.229 -4.372 -1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.865 -5.376 -3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.286 -5.835 -3.909 1.00 0.00 H new ATOM 0 HE ARG A 5 2.797 -3.611 -5.397 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.662 -6.549 -4.717 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.579 -6.450 -6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.999 -3.463 -7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.200 -4.697 -7.681 1.00 0.00 H new ATOM 101 N VAL A 6 1.676 -0.785 -1.611 1.00 0.00 N ATOM 102 CA VAL A 6 2.489 0.395 -1.598 1.00 0.00 C ATOM 103 C VAL A 6 3.923 -0.041 -1.440 1.00 0.00 C ATOM 104 O VAL A 6 4.246 -0.788 -0.514 1.00 0.00 O ATOM 105 CB VAL A 6 2.114 1.352 -0.431 1.00 0.00 C ATOM 106 CG1 VAL A 6 2.966 2.617 -0.462 1.00 0.00 C ATOM 107 CG2 VAL A 6 0.644 1.713 -0.484 1.00 0.00 C ATOM 0 H VAL A 6 1.636 -1.275 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 6 2.332 0.942 -2.528 1.00 0.00 H new ATOM 0 HB VAL A 6 2.312 0.827 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.682 3.267 0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.018 2.349 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.807 3.140 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.404 2.383 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.425 2.209 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.044 0.807 -0.402 1.00 0.00 H new ATOM 117 N CYS A 7 4.755 0.374 -2.337 1.00 0.00 N ATOM 118 CA CYS A 7 6.144 0.045 -2.273 1.00 0.00 C ATOM 119 C CYS A 7 6.946 1.274 -1.931 1.00 0.00 C ATOM 120 O CYS A 7 6.918 2.281 -2.648 1.00 0.00 O ATOM 121 CB CYS A 7 6.624 -0.586 -3.581 1.00 0.00 C ATOM 122 SG CYS A 7 5.841 -2.190 -3.967 1.00 0.00 S ATOM 0 H CYS A 7 4.493 0.951 -3.136 1.00 0.00 H new ATOM 0 HA CYS A 7 6.291 -0.695 -1.486 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.429 0.107 -4.399 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.704 -0.724 -3.530 1.00 0.00 H new ATOM 127 N TYR A 8 7.628 1.196 -0.829 1.00 0.00 N ATOM 128 CA TYR A 8 8.442 2.260 -0.331 1.00 0.00 C ATOM 129 C TYR A 8 9.848 1.762 -0.117 1.00 0.00 C ATOM 130 O TYR A 8 10.091 0.967 0.781 1.00 0.00 O ATOM 131 CB TYR A 8 7.844 2.793 0.978 1.00 0.00 C ATOM 132 CG TYR A 8 8.694 3.820 1.695 1.00 0.00 C ATOM 133 CD1 TYR A 8 8.827 5.110 1.209 1.00 0.00 C ATOM 134 CD2 TYR A 8 9.355 3.492 2.870 1.00 0.00 C ATOM 135 CE1 TYR A 8 9.594 6.041 1.871 1.00 0.00 C ATOM 136 CE2 TYR A 8 10.121 4.416 3.535 1.00 0.00 C ATOM 137 CZ TYR A 8 10.239 5.688 3.033 1.00 0.00 C ATOM 138 OH TYR A 8 11.004 6.607 3.695 1.00 0.00 O ATOM 0 H TYR A 8 7.633 0.366 -0.236 1.00 0.00 H new ATOM 0 HA TYR A 8 8.471 3.075 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.871 3.234 0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.671 1.953 1.650 1.00 0.00 H new ATOM 0 HD1 TYR A 8 8.321 5.389 0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.265 2.492 3.268 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.689 7.043 1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 8 10.628 4.144 4.449 1.00 0.00 H new ATOM 0 HH TYR A 8 11.388 6.196 4.497 1.00 0.00 H new ATOM 148 N ARG A 9 10.758 2.184 -0.990 1.00 0.00 N ATOM 149 CA ARG A 9 12.191 1.843 -0.916 1.00 0.00 C ATOM 150 C ARG A 9 12.410 0.328 -1.012 1.00 0.00 C ATOM 151 O ARG A 9 13.421 -0.207 -0.548 1.00 0.00 O ATOM 152 CB ARG A 9 12.816 2.402 0.374 1.00 0.00 C ATOM 153 CG ARG A 9 12.613 3.898 0.557 1.00 0.00 C ATOM 154 CD ARG A 9 13.314 4.403 1.795 1.00 0.00 C ATOM 155 NE ARG A 9 14.761 4.280 1.677 1.00 0.00 N ATOM 156 CZ ARG A 9 15.632 4.375 2.673 1.00 0.00 C ATOM 157 NH1 ARG A 9 15.215 4.479 3.923 1.00 0.00 N ATOM 158 NH2 ARG A 9 16.930 4.333 2.413 1.00 0.00 N ATOM 0 H ARG A 9 10.526 2.782 -1.783 1.00 0.00 H new ATOM 0 HA ARG A 9 12.688 2.305 -1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.388 1.880 1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.885 2.188 0.371 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.990 4.427 -0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.547 4.116 0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.049 5.447 1.964 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.970 3.842 2.664 1.00 0.00 H new ATOM 0 HE ARG A 9 15.138 4.105 0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.216 4.487 4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.892 4.552 4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.254 4.228 1.452 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.605 4.406 3.174 1.00 0.00 H new ATOM 172 N GLY A 10 11.493 -0.336 -1.673 1.00 0.00 N ATOM 173 CA GLY A 10 11.543 -1.762 -1.828 1.00 0.00 C ATOM 174 C GLY A 10 10.615 -2.476 -0.883 1.00 0.00 C ATOM 175 O GLY A 10 10.289 -3.644 -1.088 1.00 0.00 O ATOM 0 H GLY A 10 10.688 0.104 -2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.283 -2.022 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.563 -2.107 -1.661 1.00 0.00 H new ATOM 179 N ILE A 11 10.172 -1.787 0.130 1.00 0.00 N ATOM 180 CA ILE A 11 9.277 -2.352 1.115 1.00 0.00 C ATOM 181 C ILE A 11 7.857 -2.262 0.580 1.00 0.00 C ATOM 182 O ILE A 11 7.303 -1.174 0.469 1.00 0.00 O ATOM 183 CB ILE A 11 9.373 -1.569 2.446 1.00 0.00 C ATOM 184 CG1 ILE A 11 10.831 -1.514 2.916 1.00 0.00 C ATOM 185 CG2 ILE A 11 8.490 -2.214 3.513 1.00 0.00 C ATOM 186 CD1 ILE A 11 11.072 -0.551 4.060 1.00 0.00 C ATOM 0 H ILE A 11 10.419 -0.812 0.302 1.00 0.00 H new ATOM 0 HA ILE A 11 9.552 -3.390 1.303 1.00 0.00 H new ATOM 0 HB ILE A 11 9.018 -0.552 2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.141 -2.513 3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.463 -1.229 2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.571 -1.649 4.442 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.453 -2.213 3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.815 -3.240 3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.127 -0.569 4.335 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.795 0.457 3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.468 -0.847 4.918 1.00 0.00 H new ATOM 198 N CYS A 12 7.298 -3.372 0.211 1.00 0.00 N ATOM 199 CA CYS A 12 5.967 -3.385 -0.340 1.00 0.00 C ATOM 200 C CYS A 12 4.981 -3.933 0.662 1.00 0.00 C ATOM 201 O CYS A 12 5.048 -5.106 1.054 1.00 0.00 O ATOM 202 CB CYS A 12 5.910 -4.175 -1.642 1.00 0.00 C ATOM 203 SG CYS A 12 6.994 -3.541 -2.973 1.00 0.00 S ATOM 0 H CYS A 12 7.740 -4.289 0.279 1.00 0.00 H new ATOM 0 HA CYS A 12 5.692 -2.355 -0.567 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.181 -5.210 -1.434 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.881 -4.181 -2.002 1.00 0.00 H new ATOM 208 N TYR A 13 4.070 -3.097 1.076 1.00 0.00 N ATOM 209 CA TYR A 13 3.095 -3.460 2.048 1.00 0.00 C ATOM 210 C TYR A 13 1.710 -3.247 1.493 1.00 0.00 C ATOM 211 O TYR A 13 1.495 -2.360 0.661 1.00 0.00 O ATOM 212 CB TYR A 13 3.311 -2.679 3.370 1.00 0.00 C ATOM 213 CG TYR A 13 3.366 -1.152 3.244 1.00 0.00 C ATOM 214 CD1 TYR A 13 2.215 -0.371 3.325 1.00 0.00 C ATOM 215 CD2 TYR A 13 4.583 -0.494 3.073 1.00 0.00 C ATOM 216 CE1 TYR A 13 2.278 1.003 3.237 1.00 0.00 C ATOM 217 CE2 TYR A 13 4.645 0.883 2.979 1.00 0.00 C ATOM 218 CZ TYR A 13 3.486 1.622 3.064 1.00 0.00 C ATOM 219 OH TYR A 13 3.530 2.990 2.992 1.00 0.00 O ATOM 0 H TYR A 13 3.989 -2.137 0.741 1.00 0.00 H new ATOM 0 HA TYR A 13 3.207 -4.519 2.281 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.507 -2.939 4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.241 -3.021 3.823 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.257 -0.851 3.459 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.494 -1.071 3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.374 1.591 3.305 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.596 1.376 2.840 1.00 0.00 H new ATOM 0 HH TYR A 13 4.458 3.281 2.869 1.00 0.00 H new ATOM 229 N ARG A 14 0.795 -4.075 1.902 1.00 0.00 N ATOM 230 CA ARG A 14 -0.573 -3.956 1.488 1.00 0.00 C ATOM 231 C ARG A 14 -1.275 -2.976 2.398 1.00 0.00 C ATOM 232 O ARG A 14 -1.648 -3.307 3.534 1.00 0.00 O ATOM 233 CB ARG A 14 -1.263 -5.314 1.504 1.00 0.00 C ATOM 234 CG ARG A 14 -2.747 -5.285 1.163 1.00 0.00 C ATOM 235 CD ARG A 14 -3.333 -6.685 1.196 1.00 0.00 C ATOM 236 NE ARG A 14 -2.704 -7.553 0.196 1.00 0.00 N ATOM 237 CZ ARG A 14 -2.478 -8.862 0.323 1.00 0.00 C ATOM 238 NH1 ARG A 14 -2.821 -9.504 1.438 1.00 0.00 N ATOM 239 NH2 ARG A 14 -1.915 -9.526 -0.672 1.00 0.00 N ATOM 0 H ARG A 14 0.976 -4.855 2.534 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.614 -3.586 0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.756 -5.971 0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.141 -5.755 2.493 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.276 -4.647 1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.889 -4.849 0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.198 -7.114 2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.406 -6.636 1.013 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.412 -7.116 -0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.261 -8.995 2.205 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.644 -10.505 1.525 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.657 -9.038 -1.529 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.739 -10.527 -0.582 1.00 0.00 H new ATOM 253 N LYS A 15 -1.377 -1.786 1.933 1.00 0.00 N ATOM 254 CA LYS A 15 -1.993 -0.712 2.652 1.00 0.00 C ATOM 255 C LYS A 15 -3.430 -0.568 2.159 1.00 0.00 C ATOM 256 O LYS A 15 -3.706 -0.743 0.974 1.00 0.00 O ATOM 257 CB LYS A 15 -1.138 0.555 2.428 1.00 0.00 C ATOM 258 CG LYS A 15 -1.544 1.817 3.174 1.00 0.00 C ATOM 259 CD LYS A 15 -2.632 2.556 2.452 1.00 0.00 C ATOM 260 CE LYS A 15 -3.059 3.802 3.195 1.00 0.00 C ATOM 261 NZ LYS A 15 -3.682 3.495 4.502 1.00 0.00 N ATOM 0 H LYS A 15 -1.026 -1.515 1.014 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.040 -0.894 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.109 0.319 2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.142 0.779 1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.884 1.555 4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.677 2.467 3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.285 2.829 1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.492 1.899 2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.192 4.444 3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.765 4.363 2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.064 4.368 4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.453 2.810 4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.968 3.090 5.141 1.00 0.00 H new ATOM 275 N CYS A 16 -4.336 -0.275 3.045 1.00 0.00 N ATOM 276 CA CYS A 16 -5.723 -0.204 2.669 1.00 0.00 C ATOM 277 C CYS A 16 -6.272 1.215 2.776 1.00 0.00 C ATOM 278 O CYS A 16 -5.903 1.978 3.678 1.00 0.00 O ATOM 279 CB CYS A 16 -6.553 -1.194 3.493 1.00 0.00 C ATOM 280 SG CYS A 16 -5.978 -2.933 3.370 1.00 0.00 S ATOM 0 H CYS A 16 -4.145 -0.082 4.028 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.798 -0.488 1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.532 -0.888 4.539 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.592 -1.141 3.167 1.00 0.00 H new ATOM 285 N ARG A 17 -7.098 1.561 1.822 1.00 0.00 N ATOM 286 CA ARG A 17 -7.778 2.829 1.737 1.00 0.00 C ATOM 287 C ARG A 17 -9.250 2.536 1.630 1.00 0.00 C ATOM 288 O ARG A 17 -9.709 2.047 0.595 1.00 0.00 O ATOM 289 CB ARG A 17 -7.314 3.586 0.492 1.00 0.00 C ATOM 290 CG ARG A 17 -8.034 4.904 0.240 1.00 0.00 C ATOM 291 CD ARG A 17 -7.542 5.561 -1.037 1.00 0.00 C ATOM 292 NE ARG A 17 -6.120 5.922 -0.963 1.00 0.00 N ATOM 293 CZ ARG A 17 -5.334 6.191 -2.010 1.00 0.00 C ATOM 294 NH1 ARG A 17 -5.801 6.066 -3.245 1.00 0.00 N ATOM 295 NH2 ARG A 17 -4.075 6.567 -1.813 1.00 0.00 N ATOM 0 H ARG A 17 -7.326 0.938 1.047 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.563 3.443 2.612 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.246 3.783 0.581 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.448 2.943 -0.378 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.108 4.728 0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.874 5.576 1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.700 4.884 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.132 6.456 -1.234 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.698 5.971 -0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.763 5.764 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.198 6.272 -4.042 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.710 6.650 -0.864 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.473 6.773 -2.611 1.00 0.00 H new