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= 0.402 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0254) USER MOD ----------------------------------------------------------------- ATOM 23 N TRP A 2 -10.495 -0.624 0.026 1.00 0.00 N ATOM 24 CA TRP A 2 -9.649 -1.059 -1.064 1.00 0.00 C ATOM 25 C TRP A 2 -8.233 -1.235 -0.548 1.00 0.00 C ATOM 26 O TRP A 2 -7.753 -0.415 0.218 1.00 0.00 O ATOM 27 CB TRP A 2 -9.673 -0.008 -2.171 1.00 0.00 C ATOM 28 CG TRP A 2 -9.076 -0.454 -3.474 1.00 0.00 C ATOM 29 CD1 TRP A 2 -7.754 -0.615 -3.770 1.00 0.00 C ATOM 30 CD2 TRP A 2 -9.795 -0.768 -4.672 1.00 0.00 C ATOM 31 NE1 TRP A 2 -7.614 -1.022 -5.069 1.00 0.00 N ATOM 32 CE2 TRP A 2 -8.849 -1.123 -5.645 1.00 0.00 C ATOM 33 CE3 TRP A 2 -11.151 -0.791 -5.011 1.00 0.00 C ATOM 34 CZ2 TRP A 2 -9.213 -1.492 -6.935 1.00 0.00 C ATOM 35 CZ3 TRP A 2 -11.512 -1.156 -6.291 1.00 0.00 C ATOM 36 CH2 TRP A 2 -10.545 -1.504 -7.238 1.00 0.00 C ATOM 0 HA TRP A 2 -10.010 -2.007 -1.464 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -10.706 0.293 -2.345 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -9.137 0.876 -1.825 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -6.939 -0.446 -3.082 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -6.728 -1.219 -5.534 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -11.903 -0.527 -4.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -8.469 -1.760 -7.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -12.556 -1.173 -6.565 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -10.858 -1.789 -8.232 1.00 0.00 H new ATOM 47 N CYS A 3 -7.578 -2.276 -0.957 1.00 0.00 N ATOM 48 CA CYS A 3 -6.228 -2.533 -0.533 1.00 0.00 C ATOM 49 C CYS A 3 -5.348 -2.777 -1.751 1.00 0.00 C ATOM 50 O CYS A 3 -5.758 -3.476 -2.690 1.00 0.00 O ATOM 51 CB CYS A 3 -6.204 -3.746 0.386 1.00 0.00 C ATOM 52 SG CYS A 3 -7.241 -3.598 1.887 1.00 0.00 S ATOM 0 H CYS A 3 -7.960 -2.975 -1.594 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.846 -1.670 0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.532 -4.618 -0.179 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.174 -3.932 0.691 1.00 0.00 H new ATOM 57 N PHE A 4 -4.170 -2.191 -1.763 1.00 0.00 N ATOM 58 CA PHE A 4 -3.257 -2.366 -2.874 1.00 0.00 C ATOM 59 C PHE A 4 -1.821 -2.355 -2.375 1.00 0.00 C ATOM 60 O PHE A 4 -1.563 -1.999 -1.211 1.00 0.00 O ATOM 61 CB PHE A 4 -3.484 -1.297 -3.972 1.00 0.00 C ATOM 62 CG PHE A 4 -3.149 0.122 -3.582 1.00 0.00 C ATOM 63 CD1 PHE A 4 -4.009 0.867 -2.795 1.00 0.00 C ATOM 64 CD2 PHE A 4 -1.978 0.712 -4.029 1.00 0.00 C ATOM 65 CE1 PHE A 4 -3.702 2.166 -2.456 1.00 0.00 C ATOM 66 CE2 PHE A 4 -1.668 2.008 -3.694 1.00 0.00 C ATOM 67 CZ PHE A 4 -2.532 2.737 -2.907 1.00 0.00 C ATOM 0 H PHE A 4 -3.821 -1.589 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.456 -3.335 -3.332 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.887 -1.565 -4.844 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.530 -1.333 -4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.930 0.426 -2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.299 0.145 -4.649 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.378 2.737 -1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.750 2.454 -4.047 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.292 3.757 -2.643 1.00 0.00 H new ATOM 77 N ARG A 5 -0.899 -2.733 -3.235 1.00 0.00 N ATOM 78 CA ARG A 5 0.490 -2.821 -2.865 1.00 0.00 C ATOM 79 C ARG A 5 1.170 -1.473 -2.969 1.00 0.00 C ATOM 80 O ARG A 5 1.218 -0.864 -4.039 1.00 0.00 O ATOM 81 CB ARG A 5 1.230 -3.870 -3.712 1.00 0.00 C ATOM 82 CG ARG A 5 2.706 -3.994 -3.362 1.00 0.00 C ATOM 83 CD ARG A 5 3.376 -5.184 -4.037 1.00 0.00 C ATOM 84 NE ARG A 5 3.481 -5.078 -5.498 1.00 0.00 N ATOM 85 CZ ARG A 5 4.172 -5.946 -6.259 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.818 -6.963 -5.690 1.00 0.00 N ATOM 87 NH2 ARG A 5 4.230 -5.790 -7.575 1.00 0.00 N ATOM 0 H ARG A 5 -1.094 -2.986 -4.204 1.00 0.00 H new ATOM 0 HA ARG A 5 0.530 -3.141 -1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.749 -4.839 -3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.134 -3.609 -4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 5 3.222 -3.079 -3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.812 -4.089 -2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 5 4.377 -5.305 -3.622 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.817 -6.087 -3.790 1.00 0.00 H new ATOM 0 HE ARG A 5 3.004 -4.304 -5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.789 -7.083 -4.678 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.342 -7.621 -6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.748 -5.007 -8.017 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.756 -6.453 -8.144 1.00 0.00 H new ATOM 101 N VAL A 6 1.659 -1.009 -1.861 1.00 0.00 N ATOM 102 CA VAL A 6 2.389 0.224 -1.795 1.00 0.00 C ATOM 103 C VAL A 6 3.836 -0.105 -1.523 1.00 0.00 C ATOM 104 O VAL A 6 4.144 -0.814 -0.568 1.00 0.00 O ATOM 105 CB VAL A 6 1.848 1.145 -0.676 1.00 0.00 C ATOM 106 CG1 VAL A 6 2.645 2.438 -0.598 1.00 0.00 C ATOM 107 CG2 VAL A 6 0.386 1.450 -0.906 1.00 0.00 C ATOM 0 H VAL A 6 1.562 -1.481 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 6 2.278 0.756 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 6 1.956 0.619 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.243 3.066 0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.690 2.209 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.575 2.967 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.020 2.099 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.266 1.951 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.184 0.521 -0.907 1.00 0.00 H new ATOM 117 N CYS A 7 4.703 0.362 -2.365 1.00 0.00 N ATOM 118 CA CYS A 7 6.108 0.092 -2.213 1.00 0.00 C ATOM 119 C CYS A 7 6.867 1.346 -1.846 1.00 0.00 C ATOM 120 O CYS A 7 6.765 2.379 -2.530 1.00 0.00 O ATOM 121 CB CYS A 7 6.676 -0.548 -3.476 1.00 0.00 C ATOM 122 SG CYS A 7 5.955 -2.177 -3.866 1.00 0.00 S ATOM 0 H CYS A 7 4.465 0.937 -3.173 1.00 0.00 H new ATOM 0 HA CYS A 7 6.229 -0.617 -1.394 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.509 0.123 -4.318 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.755 -0.656 -3.363 1.00 0.00 H new ATOM 127 N TYR A 8 7.581 1.272 -0.756 1.00 0.00 N ATOM 128 CA TYR A 8 8.404 2.347 -0.277 1.00 0.00 C ATOM 129 C TYR A 8 9.794 1.812 0.020 1.00 0.00 C ATOM 130 O TYR A 8 9.954 0.996 0.903 1.00 0.00 O ATOM 131 CB TYR A 8 7.783 2.970 0.987 1.00 0.00 C ATOM 132 CG TYR A 8 8.644 4.045 1.615 1.00 0.00 C ATOM 133 CD1 TYR A 8 9.249 3.850 2.851 1.00 0.00 C ATOM 134 CD2 TYR A 8 8.881 5.235 0.955 1.00 0.00 C ATOM 135 CE1 TYR A 8 10.061 4.816 3.400 1.00 0.00 C ATOM 136 CE2 TYR A 8 9.686 6.201 1.501 1.00 0.00 C ATOM 137 CZ TYR A 8 10.275 5.992 2.715 1.00 0.00 C ATOM 138 OH TYR A 8 11.100 6.954 3.245 1.00 0.00 O ATOM 0 H TYR A 8 7.607 0.443 -0.163 1.00 0.00 H new ATOM 0 HA TYR A 8 8.472 3.124 -1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.812 3.395 0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.605 2.184 1.720 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.080 2.928 3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.424 5.407 -0.008 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.527 4.653 4.361 1.00 0.00 H new ATOM 0 HE2 TYR A 8 9.854 7.127 0.971 1.00 0.00 H new ATOM 0 HH TYR A 8 11.143 7.720 2.635 1.00 0.00 H new ATOM 148 N ARG A 9 10.781 2.232 -0.771 1.00 0.00 N ATOM 149 CA ARG A 9 12.198 1.816 -0.624 1.00 0.00 C ATOM 150 C ARG A 9 12.376 0.319 -0.881 1.00 0.00 C ATOM 151 O ARG A 9 13.388 -0.273 -0.502 1.00 0.00 O ATOM 152 CB ARG A 9 12.764 2.159 0.765 1.00 0.00 C ATOM 153 CG ARG A 9 12.746 3.625 1.125 1.00 0.00 C ATOM 154 CD ARG A 9 13.448 3.847 2.451 1.00 0.00 C ATOM 155 NE ARG A 9 13.465 5.261 2.847 1.00 0.00 N ATOM 156 CZ ARG A 9 14.522 5.891 3.369 1.00 0.00 C ATOM 157 NH1 ARG A 9 15.670 5.250 3.548 1.00 0.00 N ATOM 158 NH2 ARG A 9 14.426 7.165 3.706 1.00 0.00 N ATOM 0 H ARG A 9 10.629 2.879 -1.545 1.00 0.00 H new ATOM 0 HA ARG A 9 12.754 2.378 -1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.196 1.610 1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.792 1.801 0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.237 4.205 0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.717 3.979 1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.950 3.262 3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.472 3.480 2.383 1.00 0.00 H new ATOM 0 HE ARG A 9 12.610 5.801 2.714 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.752 4.267 3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.471 5.740 3.947 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.547 7.664 3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.230 7.649 4.105 1.00 0.00 H new ATOM 172 N GLY A 10 11.428 -0.276 -1.558 1.00 0.00 N ATOM 173 CA GLY A 10 11.469 -1.702 -1.798 1.00 0.00 C ATOM 174 C GLY A 10 10.569 -2.439 -0.840 1.00 0.00 C ATOM 175 O GLY A 10 10.214 -3.598 -1.062 1.00 0.00 O ATOM 0 H GLY A 10 10.618 0.201 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.163 -1.910 -2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.492 -2.063 -1.691 1.00 0.00 H new ATOM 179 N ILE A 11 10.192 -1.754 0.214 1.00 0.00 N ATOM 180 CA ILE A 11 9.320 -2.291 1.231 1.00 0.00 C ATOM 181 C ILE A 11 7.899 -2.189 0.719 1.00 0.00 C ATOM 182 O ILE A 11 7.335 -1.092 0.634 1.00 0.00 O ATOM 183 CB ILE A 11 9.448 -1.472 2.540 1.00 0.00 C ATOM 184 CG1 ILE A 11 10.917 -1.400 2.976 1.00 0.00 C ATOM 185 CG2 ILE A 11 8.582 -2.074 3.648 1.00 0.00 C ATOM 186 CD1 ILE A 11 11.180 -0.400 4.084 1.00 0.00 C ATOM 0 H ILE A 11 10.487 -0.794 0.391 1.00 0.00 H new ATOM 0 HA ILE A 11 9.589 -3.326 1.443 1.00 0.00 H new ATOM 0 HB ILE A 11 9.091 -0.460 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.236 -2.388 3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.530 -1.141 2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.689 -1.481 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.538 -2.073 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.901 -3.098 3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.240 -0.407 4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.894 0.597 3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.595 -0.670 4.964 1.00 0.00 H new ATOM 198 N CYS A 12 7.359 -3.286 0.319 1.00 0.00 N ATOM 199 CA CYS A 12 6.035 -3.312 -0.213 1.00 0.00 C ATOM 200 C CYS A 12 5.070 -3.870 0.803 1.00 0.00 C ATOM 201 O CYS A 12 5.280 -4.958 1.361 1.00 0.00 O ATOM 202 CB CYS A 12 5.997 -4.111 -1.506 1.00 0.00 C ATOM 203 SG CYS A 12 7.110 -3.468 -2.811 1.00 0.00 S ATOM 0 H CYS A 12 7.821 -4.195 0.350 1.00 0.00 H new ATOM 0 HA CYS A 12 5.729 -2.291 -0.441 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.266 -5.145 -1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.975 -4.120 -1.886 1.00 0.00 H new ATOM 208 N TYR A 13 4.054 -3.118 1.078 1.00 0.00 N ATOM 209 CA TYR A 13 3.049 -3.501 2.016 1.00 0.00 C ATOM 210 C TYR A 13 1.696 -3.244 1.413 1.00 0.00 C ATOM 211 O TYR A 13 1.553 -2.370 0.543 1.00 0.00 O ATOM 212 CB TYR A 13 3.224 -2.746 3.356 1.00 0.00 C ATOM 213 CG TYR A 13 3.276 -1.224 3.249 1.00 0.00 C ATOM 214 CD1 TYR A 13 2.130 -0.457 3.378 1.00 0.00 C ATOM 215 CD2 TYR A 13 4.484 -0.562 3.034 1.00 0.00 C ATOM 216 CE1 TYR A 13 2.180 0.914 3.297 1.00 0.00 C ATOM 217 CE2 TYR A 13 4.541 0.814 2.948 1.00 0.00 C ATOM 218 CZ TYR A 13 3.384 1.546 3.082 1.00 0.00 C ATOM 219 OH TYR A 13 3.426 2.925 3.011 1.00 0.00 O ATOM 0 H TYR A 13 3.896 -2.206 0.650 1.00 0.00 H new ATOM 0 HA TYR A 13 3.144 -4.564 2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.401 -3.019 4.017 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.142 -3.091 3.831 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.181 -0.945 3.545 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.393 -1.137 2.933 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.276 1.495 3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.484 1.311 2.777 1.00 0.00 H new ATOM 0 HH TYR A 13 4.349 3.217 2.856 1.00 0.00 H new ATOM 229 N ARG A 14 0.721 -3.998 1.822 1.00 0.00 N ATOM 230 CA ARG A 14 -0.604 -3.814 1.320 1.00 0.00 C ATOM 231 C ARG A 14 -1.284 -2.752 2.157 1.00 0.00 C ATOM 232 O ARG A 14 -1.691 -3.012 3.290 1.00 0.00 O ATOM 233 CB ARG A 14 -1.408 -5.105 1.396 1.00 0.00 C ATOM 234 CG ARG A 14 -2.715 -5.038 0.636 1.00 0.00 C ATOM 235 CD ARG A 14 -3.624 -6.199 0.975 1.00 0.00 C ATOM 236 NE ARG A 14 -4.184 -6.084 2.333 1.00 0.00 N ATOM 237 CZ ARG A 14 -4.993 -6.978 2.913 1.00 0.00 C ATOM 238 NH1 ARG A 14 -5.204 -8.153 2.336 1.00 0.00 N ATOM 239 NH2 ARG A 14 -5.542 -6.701 4.092 1.00 0.00 N ATOM 0 H ARG A 14 0.820 -4.749 2.505 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.549 -3.513 0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.807 -5.924 1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.614 -5.336 2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.222 -4.101 0.867 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.513 -5.036 -0.435 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.437 -6.246 0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.067 -7.132 0.890 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.935 -5.256 2.874 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.750 -8.375 1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.821 -8.835 2.778 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.346 -5.811 4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.160 -7.379 4.539 1.00 0.00 H new ATOM 253 N LYS A 15 -1.371 -1.573 1.639 1.00 0.00 N ATOM 254 CA LYS A 15 -1.995 -0.499 2.354 1.00 0.00 C ATOM 255 C LYS A 15 -3.454 -0.462 1.964 1.00 0.00 C ATOM 256 O LYS A 15 -3.797 -0.655 0.782 1.00 0.00 O ATOM 257 CB LYS A 15 -1.322 0.824 2.014 1.00 0.00 C ATOM 258 CG LYS A 15 -1.686 1.980 2.929 1.00 0.00 C ATOM 259 CD LYS A 15 -0.994 3.257 2.488 1.00 0.00 C ATOM 260 CE LYS A 15 -1.172 4.381 3.500 1.00 0.00 C ATOM 261 NZ LYS A 15 -2.575 4.720 3.741 1.00 0.00 N ATOM 0 H LYS A 15 -1.016 -1.323 0.716 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.898 -0.657 3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.242 0.683 2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.581 1.094 0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.766 2.127 2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.401 1.742 3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.069 3.063 2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.393 3.571 1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.708 4.090 4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.646 5.267 3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.630 5.535 4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.034 4.961 2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.060 3.906 4.170 1.00 0.00 H new ATOM 275 N CYS A 16 -4.300 -0.249 2.914 1.00 0.00 N ATOM 276 CA CYS A 16 -5.704 -0.215 2.658 1.00 0.00 C ATOM 277 C CYS A 16 -6.242 1.193 2.797 1.00 0.00 C ATOM 278 O CYS A 16 -5.863 1.927 3.705 1.00 0.00 O ATOM 279 CB CYS A 16 -6.443 -1.193 3.570 1.00 0.00 C ATOM 280 SG CYS A 16 -5.963 -2.943 3.326 1.00 0.00 S ATOM 0 H CYS A 16 -4.041 -0.094 3.888 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.875 -0.531 1.629 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.258 -0.917 4.608 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.515 -1.094 3.400 1.00 0.00 H new ATOM 285 N ARG A 17 -7.063 1.584 1.855 1.00 0.00 N ATOM 286 CA ARG A 17 -7.712 2.865 1.851 1.00 0.00 C ATOM 287 C ARG A 17 -9.187 2.604 1.820 1.00 0.00 C ATOM 288 O ARG A 17 -9.716 2.166 0.793 1.00 0.00 O ATOM 289 CB ARG A 17 -7.327 3.700 0.617 1.00 0.00 C ATOM 290 CG ARG A 17 -5.839 3.920 0.428 1.00 0.00 C ATOM 291 CD ARG A 17 -5.555 4.925 -0.678 1.00 0.00 C ATOM 292 NE ARG A 17 -6.114 4.537 -1.989 1.00 0.00 N ATOM 293 CZ ARG A 17 -5.770 5.108 -3.152 1.00 0.00 C ATOM 294 NH1 ARG A 17 -4.831 6.053 -3.183 1.00 0.00 N ATOM 295 NH2 ARG A 17 -6.359 4.720 -4.283 1.00 0.00 N ATOM 0 H ARG A 17 -7.303 1.004 1.051 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.408 3.429 2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.722 3.209 -0.272 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.816 4.672 0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.402 4.273 1.362 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.358 2.971 0.190 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.964 5.894 -0.391 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.477 5.050 -0.775 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.805 3.787 -2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.372 6.344 -2.320 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.572 6.485 -4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.071 3.989 -4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.098 5.154 -5.169 1.00 0.00 H new