USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 128 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N TRP A 2 10.516 1.346 0.374 1.00 0.00 N ATOM 26 CA TRP A 2 9.649 1.947 -0.594 1.00 0.00 C ATOM 27 C TRP A 2 8.233 1.670 -0.153 1.00 0.00 C ATOM 28 O TRP A 2 7.814 0.510 -0.084 1.00 0.00 O ATOM 29 CB TRP A 2 9.900 1.342 -1.982 1.00 0.00 C ATOM 30 CG TRP A 2 9.132 1.994 -3.108 1.00 0.00 C ATOM 31 CD1 TRP A 2 7.795 1.913 -3.350 1.00 0.00 C ATOM 32 CD2 TRP A 2 9.675 2.794 -4.161 1.00 0.00 C ATOM 33 NE1 TRP A 2 7.468 2.637 -4.470 1.00 0.00 N ATOM 34 CE2 TRP A 2 8.604 3.180 -4.989 1.00 0.00 C ATOM 35 CE3 TRP A 2 10.959 3.227 -4.480 1.00 0.00 C ATOM 36 CZ2 TRP A 2 8.782 3.978 -6.109 1.00 0.00 C ATOM 37 CZ3 TRP A 2 11.131 4.015 -5.598 1.00 0.00 C ATOM 38 CH2 TRP A 2 10.049 4.382 -6.396 1.00 0.00 C ATOM 0 HA TRP A 2 9.831 3.019 -0.663 1.00 0.00 H new ATOM 0 HB2 TRP A 2 10.965 1.406 -2.203 1.00 0.00 H new ATOM 0 HB3 TRP A 2 9.644 0.283 -1.952 1.00 0.00 H new ATOM 0 HD1 TRP A 2 7.091 1.358 -2.747 1.00 0.00 H new ATOM 0 HE1 TRP A 2 6.528 2.750 -4.851 1.00 0.00 H new ATOM 0 HE3 TRP A 2 11.803 2.951 -3.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 7.947 4.268 -6.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 12.122 4.354 -5.860 1.00 0.00 H new ATOM 0 HH2 TRP A 2 10.220 5.002 -7.263 1.00 0.00 H new ATOM 49 N CYS A 3 7.522 2.691 0.164 1.00 0.00 N ATOM 50 CA CYS A 3 6.172 2.543 0.609 1.00 0.00 C ATOM 51 C CYS A 3 5.204 3.054 -0.432 1.00 0.00 C ATOM 52 O CYS A 3 5.341 4.184 -0.942 1.00 0.00 O ATOM 53 CB CYS A 3 5.968 3.264 1.934 1.00 0.00 C ATOM 54 SG CYS A 3 6.981 2.615 3.309 1.00 0.00 S ATOM 0 H CYS A 3 7.853 3.655 0.125 1.00 0.00 H new ATOM 0 HA CYS A 3 5.975 1.482 0.760 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.197 4.321 1.798 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.916 3.199 2.211 1.00 0.00 H new ATOM 59 N PHE A 4 4.263 2.226 -0.788 1.00 0.00 N ATOM 60 CA PHE A 4 3.249 2.606 -1.718 1.00 0.00 C ATOM 61 C PHE A 4 1.885 2.382 -1.118 1.00 0.00 C ATOM 62 O PHE A 4 1.678 1.440 -0.354 1.00 0.00 O ATOM 63 CB PHE A 4 3.426 1.940 -3.105 1.00 0.00 C ATOM 64 CG PHE A 4 3.457 0.426 -3.155 1.00 0.00 C ATOM 65 CD1 PHE A 4 4.617 -0.271 -2.872 1.00 0.00 C ATOM 66 CD2 PHE A 4 2.336 -0.287 -3.533 1.00 0.00 C ATOM 67 CE1 PHE A 4 4.656 -1.645 -2.961 1.00 0.00 C ATOM 68 CE2 PHE A 4 2.369 -1.667 -3.617 1.00 0.00 C ATOM 69 CZ PHE A 4 3.530 -2.345 -3.330 1.00 0.00 C ATOM 0 H PHE A 4 4.181 1.271 -0.440 1.00 0.00 H new ATOM 0 HA PHE A 4 3.351 3.674 -1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.615 2.281 -3.748 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.355 2.310 -3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.505 0.269 -2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.422 0.240 -3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.572 -2.174 -2.741 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.483 -2.212 -3.908 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.558 -3.423 -3.394 1.00 0.00 H new ATOM 79 N ARG A 5 0.983 3.265 -1.410 1.00 0.00 N ATOM 80 CA ARG A 5 -0.328 3.223 -0.840 1.00 0.00 C ATOM 81 C ARG A 5 -1.265 2.512 -1.794 1.00 0.00 C ATOM 82 O ARG A 5 -1.511 2.984 -2.911 1.00 0.00 O ATOM 83 CB ARG A 5 -0.804 4.646 -0.585 1.00 0.00 C ATOM 84 CG ARG A 5 -2.060 4.761 0.253 1.00 0.00 C ATOM 85 CD ARG A 5 -2.446 6.217 0.422 1.00 0.00 C ATOM 86 NE ARG A 5 -3.532 6.397 1.381 1.00 0.00 N ATOM 87 CZ ARG A 5 -4.280 7.495 1.491 1.00 0.00 C ATOM 88 NH1 ARG A 5 -4.088 8.523 0.664 1.00 0.00 N ATOM 89 NH2 ARG A 5 -5.229 7.564 2.433 1.00 0.00 N ATOM 0 H ARG A 5 1.136 4.041 -2.055 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.312 2.680 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -0.004 5.197 -0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.980 5.132 -1.545 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.874 4.214 -0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.897 4.305 1.229 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.576 6.785 0.752 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.746 6.625 -0.543 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.734 5.624 2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.367 8.471 -0.056 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.662 9.362 0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.379 6.777 3.065 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.802 8.403 2.519 1.00 0.00 H new ATOM 103 N VAL A 6 -1.747 1.383 -1.386 1.00 0.00 N ATOM 104 CA VAL A 6 -2.668 0.623 -2.184 1.00 0.00 C ATOM 105 C VAL A 6 -4.052 0.870 -1.653 1.00 0.00 C ATOM 106 O VAL A 6 -4.278 0.770 -0.450 1.00 0.00 O ATOM 107 CB VAL A 6 -2.375 -0.899 -2.126 1.00 0.00 C ATOM 108 CG1 VAL A 6 -3.335 -1.674 -3.026 1.00 0.00 C ATOM 109 CG2 VAL A 6 -0.941 -1.192 -2.507 1.00 0.00 C ATOM 0 H VAL A 6 -1.516 0.956 -0.489 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.568 0.939 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.528 -1.227 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.109 -2.739 -2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.360 -1.502 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.222 -1.335 -4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.764 -2.266 -2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.755 -0.840 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.270 -0.681 -1.817 1.00 0.00 H new ATOM 119 N CYS A 7 -4.951 1.222 -2.513 1.00 0.00 N ATOM 120 CA CYS A 7 -6.305 1.449 -2.107 1.00 0.00 C ATOM 121 C CYS A 7 -7.223 0.636 -2.972 1.00 0.00 C ATOM 122 O CYS A 7 -7.362 0.898 -4.170 1.00 0.00 O ATOM 123 CB CYS A 7 -6.672 2.932 -2.179 1.00 0.00 C ATOM 124 SG CYS A 7 -5.668 4.043 -1.136 1.00 0.00 S ATOM 0 H CYS A 7 -4.774 1.360 -3.508 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.413 1.140 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.586 3.259 -3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.718 3.043 -1.895 1.00 0.00 H new ATOM 129 N TYR A 8 -7.815 -0.366 -2.400 1.00 0.00 N ATOM 130 CA TYR A 8 -8.708 -1.202 -3.134 1.00 0.00 C ATOM 131 C TYR A 8 -10.105 -1.030 -2.598 1.00 0.00 C ATOM 132 O TYR A 8 -10.342 -1.224 -1.410 1.00 0.00 O ATOM 133 CB TYR A 8 -8.248 -2.678 -3.119 1.00 0.00 C ATOM 134 CG TYR A 8 -8.352 -3.417 -1.795 1.00 0.00 C ATOM 135 CD1 TYR A 8 -7.374 -3.296 -0.831 1.00 0.00 C ATOM 136 CD2 TYR A 8 -9.430 -4.251 -1.529 1.00 0.00 C ATOM 137 CE1 TYR A 8 -7.461 -3.982 0.365 1.00 0.00 C ATOM 138 CE2 TYR A 8 -9.530 -4.935 -0.340 1.00 0.00 C ATOM 139 CZ TYR A 8 -8.540 -4.797 0.605 1.00 0.00 C ATOM 140 OH TYR A 8 -8.625 -5.480 1.794 1.00 0.00 O ATOM 0 H TYR A 8 -7.694 -0.624 -1.421 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.703 -0.899 -4.181 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.834 -3.223 -3.859 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -7.209 -2.713 -3.446 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.525 -2.654 -1.014 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.206 -4.365 -2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.684 -3.878 1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.379 -5.575 -0.150 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.448 -6.011 1.808 1.00 0.00 H new ATOM 150 N ARG A 9 -11.009 -0.552 -3.451 1.00 0.00 N ATOM 151 CA ARG A 9 -12.438 -0.352 -3.103 1.00 0.00 C ATOM 152 C ARG A 9 -12.585 0.724 -2.012 1.00 0.00 C ATOM 153 O ARG A 9 -13.645 0.871 -1.399 1.00 0.00 O ATOM 154 CB ARG A 9 -13.068 -1.671 -2.607 1.00 0.00 C ATOM 155 CG ARG A 9 -12.901 -2.851 -3.547 1.00 0.00 C ATOM 156 CD ARG A 9 -13.387 -4.126 -2.891 1.00 0.00 C ATOM 157 NE ARG A 9 -13.106 -5.317 -3.699 1.00 0.00 N ATOM 158 CZ ARG A 9 -13.119 -6.574 -3.228 1.00 0.00 C ATOM 159 NH1 ARG A 9 -13.393 -6.803 -1.952 1.00 0.00 N ATOM 160 NH2 ARG A 9 -12.855 -7.594 -4.036 1.00 0.00 N ATOM 0 H ARG A 9 -10.783 -0.288 -4.410 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.957 -0.024 -4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.628 -1.927 -1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.132 -1.507 -2.438 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.459 -2.673 -4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.852 -2.956 -3.826 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.912 -4.233 -1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.461 -4.054 -2.717 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.886 -5.181 -4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.595 -6.023 -1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.402 -7.759 -1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.641 -7.424 -5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.866 -8.548 -3.674 1.00 0.00 H new ATOM 174 N GLY A 10 -11.528 1.486 -1.795 1.00 0.00 N ATOM 175 CA GLY A 10 -11.518 2.484 -0.752 1.00 0.00 C ATOM 176 C GLY A 10 -10.648 2.074 0.423 1.00 0.00 C ATOM 177 O GLY A 10 -10.363 2.877 1.304 1.00 0.00 O ATOM 0 H GLY A 10 -10.663 1.429 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.156 3.429 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.537 2.656 -0.405 1.00 0.00 H new ATOM 181 N ILE A 11 -10.232 0.823 0.447 1.00 0.00 N ATOM 182 CA ILE A 11 -9.392 0.321 1.520 1.00 0.00 C ATOM 183 C ILE A 11 -7.949 0.639 1.223 1.00 0.00 C ATOM 184 O ILE A 11 -7.330 0.023 0.355 1.00 0.00 O ATOM 185 CB ILE A 11 -9.573 -1.206 1.745 1.00 0.00 C ATOM 186 CG1 ILE A 11 -11.042 -1.529 2.057 1.00 0.00 C ATOM 187 CG2 ILE A 11 -8.670 -1.701 2.875 1.00 0.00 C ATOM 188 CD1 ILE A 11 -11.581 -0.820 3.285 1.00 0.00 C ATOM 0 H ILE A 11 -10.462 0.132 -0.267 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.698 0.817 2.441 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.287 -1.722 0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.654 -1.259 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.145 -2.605 2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.815 -2.772 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.628 -1.505 2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.922 -1.179 3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.623 -1.100 3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.996 -1.109 4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.512 0.258 3.142 1.00 0.00 H new ATOM 200 N CYS A 12 -7.456 1.620 1.903 1.00 0.00 N ATOM 201 CA CYS A 12 -6.115 2.094 1.734 1.00 0.00 C ATOM 202 C CYS A 12 -5.185 1.518 2.771 1.00 0.00 C ATOM 203 O CYS A 12 -5.480 1.536 3.972 1.00 0.00 O ATOM 204 CB CYS A 12 -6.090 3.611 1.819 1.00 0.00 C ATOM 205 SG CYS A 12 -6.893 4.458 0.427 1.00 0.00 S ATOM 0 H CYS A 12 -7.985 2.130 2.611 1.00 0.00 H new ATOM 0 HA CYS A 12 -5.770 1.769 0.752 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.577 3.918 2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.053 3.942 1.880 1.00 0.00 H new ATOM 210 N TYR A 13 -4.085 1.002 2.315 1.00 0.00 N ATOM 211 CA TYR A 13 -3.053 0.531 3.179 1.00 0.00 C ATOM 212 C TYR A 13 -1.714 0.883 2.591 1.00 0.00 C ATOM 213 O TYR A 13 -1.554 0.938 1.362 1.00 0.00 O ATOM 214 CB TYR A 13 -3.154 -0.985 3.451 1.00 0.00 C ATOM 215 CG TYR A 13 -3.042 -1.904 2.238 1.00 0.00 C ATOM 216 CD1 TYR A 13 -4.177 -2.312 1.544 1.00 0.00 C ATOM 217 CD2 TYR A 13 -1.804 -2.402 1.816 1.00 0.00 C ATOM 218 CE1 TYR A 13 -4.076 -3.185 0.476 1.00 0.00 C ATOM 219 CE2 TYR A 13 -1.713 -3.255 0.748 1.00 0.00 C ATOM 220 CZ TYR A 13 -2.843 -3.648 0.086 1.00 0.00 C ATOM 221 OH TYR A 13 -2.732 -4.525 -0.966 1.00 0.00 O ATOM 0 H TYR A 13 -3.879 0.896 1.322 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.172 1.023 4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.371 -1.257 4.159 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.108 -1.181 3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.147 -1.943 1.843 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.906 -2.109 2.341 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.964 -3.502 -0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.747 -3.618 0.428 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.788 -4.749 -1.107 1.00 0.00 H new ATOM 231 N ARG A 14 -0.782 1.173 3.432 1.00 0.00 N ATOM 232 CA ARG A 14 0.539 1.455 2.988 1.00 0.00 C ATOM 233 C ARG A 14 1.323 0.165 2.961 1.00 0.00 C ATOM 234 O ARG A 14 1.458 -0.517 3.987 1.00 0.00 O ATOM 235 CB ARG A 14 1.217 2.477 3.884 1.00 0.00 C ATOM 236 CG ARG A 14 2.607 2.857 3.417 1.00 0.00 C ATOM 237 CD ARG A 14 3.244 3.858 4.345 1.00 0.00 C ATOM 238 NE ARG A 14 2.498 5.110 4.401 1.00 0.00 N ATOM 239 CZ ARG A 14 2.653 6.045 5.337 1.00 0.00 C ATOM 240 NH1 ARG A 14 3.523 5.866 6.325 1.00 0.00 N ATOM 241 NH2 ARG A 14 1.937 7.157 5.277 1.00 0.00 N ATOM 0 H ARG A 14 -0.913 1.221 4.442 1.00 0.00 H new ATOM 0 HA ARG A 14 0.498 1.885 1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.600 3.374 3.932 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.278 2.078 4.897 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.230 1.964 3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.553 3.274 2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.311 3.432 5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.263 4.059 4.016 1.00 0.00 H new ATOM 0 HE ARG A 14 1.807 5.282 3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.076 5.010 6.369 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.638 6.585 7.039 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.271 7.294 4.517 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.051 7.876 5.991 1.00 0.00 H new ATOM 255 N LYS A 15 1.782 -0.181 1.810 1.00 0.00 N ATOM 256 CA LYS A 15 2.522 -1.377 1.598 1.00 0.00 C ATOM 257 C LYS A 15 3.990 -0.989 1.462 1.00 0.00 C ATOM 258 O LYS A 15 4.382 -0.334 0.488 1.00 0.00 O ATOM 259 CB LYS A 15 2.008 -2.038 0.316 1.00 0.00 C ATOM 260 CG LYS A 15 2.495 -3.451 0.047 1.00 0.00 C ATOM 261 CD LYS A 15 1.985 -4.442 1.081 1.00 0.00 C ATOM 262 CE LYS A 15 2.314 -5.870 0.676 1.00 0.00 C ATOM 263 NZ LYS A 15 1.710 -6.856 1.587 1.00 0.00 N ATOM 0 H LYS A 15 1.650 0.375 0.965 1.00 0.00 H new ATOM 0 HA LYS A 15 2.409 -2.081 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.919 -2.052 0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.291 -1.411 -0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.168 -3.763 -0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.585 -3.463 0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.432 -4.223 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.907 -4.332 1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.959 -6.050 -0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.396 -6.003 0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.959 -7.816 1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.067 -6.702 2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.676 -6.747 1.580 1.00 0.00 H new ATOM 277 N CYS A 16 4.766 -1.314 2.446 1.00 0.00 N ATOM 278 CA CYS A 16 6.163 -0.980 2.434 1.00 0.00 C ATOM 279 C CYS A 16 7.009 -2.181 2.068 1.00 0.00 C ATOM 280 O CYS A 16 6.965 -3.230 2.732 1.00 0.00 O ATOM 281 CB CYS A 16 6.602 -0.377 3.772 1.00 0.00 C ATOM 282 SG CYS A 16 5.792 1.214 4.186 1.00 0.00 S ATOM 0 H CYS A 16 4.456 -1.816 3.278 1.00 0.00 H new ATOM 0 HA CYS A 16 6.316 -0.222 1.666 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.394 -1.094 4.566 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.681 -0.227 3.753 1.00 0.00 H new