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 165:sc= 0.301 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= -0.0195 (180deg=-0.264) USER MOD ----------------------------------------------------------------- ATOM 23 N TRP A 2 -10.420 -0.346 -0.198 1.00 0.00 N ATOM 24 CA TRP A 2 -9.499 -0.710 -1.239 1.00 0.00 C ATOM 25 C TRP A 2 -8.162 -1.080 -0.645 1.00 0.00 C ATOM 26 O TRP A 2 -7.568 -0.304 0.088 1.00 0.00 O ATOM 27 CB TRP A 2 -9.318 0.449 -2.215 1.00 0.00 C ATOM 28 CG TRP A 2 -8.627 0.070 -3.487 1.00 0.00 C ATOM 29 CD1 TRP A 2 -7.309 -0.219 -3.666 1.00 0.00 C ATOM 30 CD2 TRP A 2 -9.237 -0.056 -4.761 1.00 0.00 C ATOM 31 NE1 TRP A 2 -7.065 -0.507 -4.984 1.00 0.00 N ATOM 32 CE2 TRP A 2 -8.238 -0.413 -5.674 1.00 0.00 C ATOM 33 CE3 TRP A 2 -10.538 0.101 -5.215 1.00 0.00 C ATOM 34 CZ2 TRP A 2 -8.503 -0.616 -7.013 1.00 0.00 C ATOM 35 CZ3 TRP A 2 -10.798 -0.102 -6.542 1.00 0.00 C ATOM 36 CH2 TRP A 2 -9.782 -0.458 -7.427 1.00 0.00 C ATOM 0 HA TRP A 2 -9.905 -1.568 -1.774 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -10.297 0.865 -2.455 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -8.748 1.238 -1.725 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -6.564 -0.221 -2.884 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -6.158 -0.751 -5.382 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -11.330 0.378 -4.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -7.720 -0.890 -7.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -11.807 0.015 -6.910 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -10.021 -0.612 -8.469 1.00 0.00 H new ATOM 47 N CYS A 3 -7.691 -2.229 -0.970 1.00 0.00 N ATOM 48 CA CYS A 3 -6.406 -2.670 -0.510 1.00 0.00 C ATOM 49 C CYS A 3 -5.492 -2.834 -1.686 1.00 0.00 C ATOM 50 O CYS A 3 -5.840 -3.499 -2.657 1.00 0.00 O ATOM 51 CB CYS A 3 -6.528 -3.961 0.263 1.00 0.00 C ATOM 52 SG CYS A 3 -7.429 -3.811 1.852 1.00 0.00 S ATOM 0 H CYS A 3 -8.180 -2.899 -1.564 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.989 -1.923 0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.036 -4.697 -0.360 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.528 -4.347 0.461 1.00 0.00 H new ATOM 57 N PHE A 4 -4.352 -2.211 -1.616 1.00 0.00 N ATOM 58 CA PHE A 4 -3.400 -2.220 -2.694 1.00 0.00 C ATOM 59 C PHE A 4 -2.008 -2.289 -2.126 1.00 0.00 C ATOM 60 O PHE A 4 -1.817 -2.065 -0.942 1.00 0.00 O ATOM 61 CB PHE A 4 -3.590 -0.980 -3.605 1.00 0.00 C ATOM 62 CG PHE A 4 -3.445 0.380 -2.931 1.00 0.00 C ATOM 63 CD1 PHE A 4 -2.425 1.234 -3.293 1.00 0.00 C ATOM 64 CD2 PHE A 4 -4.348 0.807 -1.961 1.00 0.00 C ATOM 65 CE1 PHE A 4 -2.305 2.480 -2.710 1.00 0.00 C ATOM 66 CE2 PHE A 4 -4.228 2.044 -1.372 1.00 0.00 C ATOM 67 CZ PHE A 4 -3.210 2.884 -1.749 1.00 0.00 C ATOM 0 H PHE A 4 -4.052 -1.676 -0.801 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.562 -3.099 -3.318 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.866 -1.038 -4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.581 -1.035 -4.056 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.711 0.925 -4.042 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.157 0.155 -1.666 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.502 3.139 -3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.933 2.354 -0.615 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.117 3.859 -1.295 1.00 0.00 H new ATOM 77 N ARG A 5 -1.048 -2.597 -2.935 1.00 0.00 N ATOM 78 CA ARG A 5 0.291 -2.734 -2.448 1.00 0.00 C ATOM 79 C ARG A 5 1.100 -1.508 -2.797 1.00 0.00 C ATOM 80 O ARG A 5 1.175 -1.106 -3.957 1.00 0.00 O ATOM 81 CB ARG A 5 0.927 -3.990 -3.014 1.00 0.00 C ATOM 82 CG ARG A 5 2.325 -4.289 -2.506 1.00 0.00 C ATOM 83 CD ARG A 5 2.867 -5.538 -3.170 1.00 0.00 C ATOM 84 NE ARG A 5 1.997 -6.700 -2.939 1.00 0.00 N ATOM 85 CZ ARG A 5 1.492 -7.486 -3.905 1.00 0.00 C ATOM 86 NH1 ARG A 5 1.765 -7.236 -5.185 1.00 0.00 N ATOM 87 NH2 ARG A 5 0.708 -8.510 -3.591 1.00 0.00 N ATOM 0 H ARG A 5 -1.162 -2.759 -3.936 1.00 0.00 H new ATOM 0 HA ARG A 5 0.269 -2.826 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.284 -4.840 -2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.963 -3.903 -4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.983 -3.444 -2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.306 -4.422 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.967 -5.366 -4.242 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.865 -5.749 -2.787 1.00 0.00 H new ATOM 0 HE ARG A 5 1.759 -6.927 -1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.359 -6.446 -5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.380 -7.835 -5.915 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.487 -8.702 -2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.326 -9.105 -4.327 1.00 0.00 H new ATOM 101 N VAL A 6 1.673 -0.910 -1.801 1.00 0.00 N ATOM 102 CA VAL A 6 2.494 0.252 -1.970 1.00 0.00 C ATOM 103 C VAL A 6 3.928 -0.175 -1.755 1.00 0.00 C ATOM 104 O VAL A 6 4.208 -0.937 -0.828 1.00 0.00 O ATOM 105 CB VAL A 6 2.136 1.357 -0.931 1.00 0.00 C ATOM 106 CG1 VAL A 6 2.908 2.643 -1.199 1.00 0.00 C ATOM 107 CG2 VAL A 6 0.639 1.624 -0.902 1.00 0.00 C ATOM 0 H VAL A 6 1.584 -1.218 -0.833 1.00 0.00 H new ATOM 0 HA VAL A 6 2.337 0.665 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 6 2.432 0.987 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.635 3.393 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.978 2.445 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.664 3.013 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.422 2.399 -0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.309 1.955 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.111 0.710 -0.631 1.00 0.00 H new ATOM 117 N CYS A 7 4.810 0.245 -2.615 1.00 0.00 N ATOM 118 CA CYS A 7 6.206 -0.069 -2.451 1.00 0.00 C ATOM 119 C CYS A 7 6.979 1.192 -2.148 1.00 0.00 C ATOM 120 O CYS A 7 6.986 2.146 -2.929 1.00 0.00 O ATOM 121 CB CYS A 7 6.764 -0.799 -3.677 1.00 0.00 C ATOM 122 SG CYS A 7 6.005 -2.439 -3.971 1.00 0.00 S ATOM 0 H CYS A 7 4.591 0.806 -3.438 1.00 0.00 H new ATOM 0 HA CYS A 7 6.316 -0.751 -1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.613 -0.176 -4.559 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.840 -0.924 -3.555 1.00 0.00 H new ATOM 127 N TYR A 8 7.598 1.206 -1.014 1.00 0.00 N ATOM 128 CA TYR A 8 8.331 2.346 -0.540 1.00 0.00 C ATOM 129 C TYR A 8 9.714 1.887 -0.115 1.00 0.00 C ATOM 130 O TYR A 8 9.839 1.122 0.818 1.00 0.00 O ATOM 131 CB TYR A 8 7.556 2.955 0.645 1.00 0.00 C ATOM 132 CG TYR A 8 8.149 4.205 1.258 1.00 0.00 C ATOM 133 CD1 TYR A 8 7.900 5.457 0.715 1.00 0.00 C ATOM 134 CD2 TYR A 8 8.932 4.132 2.397 1.00 0.00 C ATOM 135 CE1 TYR A 8 8.417 6.598 1.289 1.00 0.00 C ATOM 136 CE2 TYR A 8 9.454 5.261 2.973 1.00 0.00 C ATOM 137 CZ TYR A 8 9.194 6.496 2.419 1.00 0.00 C ATOM 138 OH TYR A 8 9.718 7.626 2.992 1.00 0.00 O ATOM 0 H TYR A 8 7.612 0.412 -0.374 1.00 0.00 H new ATOM 0 HA TYR A 8 8.441 3.103 -1.316 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.544 3.184 0.311 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.471 2.198 1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 8 7.291 5.539 -0.173 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.135 3.168 2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.213 7.566 0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 8 10.067 5.183 3.859 1.00 0.00 H new ATOM 0 HH TYR A 8 10.038 7.417 3.894 1.00 0.00 H new ATOM 148 N ARG A 9 10.737 2.294 -0.864 1.00 0.00 N ATOM 149 CA ARG A 9 12.155 1.946 -0.587 1.00 0.00 C ATOM 150 C ARG A 9 12.386 0.430 -0.690 1.00 0.00 C ATOM 151 O ARG A 9 13.345 -0.114 -0.125 1.00 0.00 O ATOM 152 CB ARG A 9 12.606 2.478 0.791 1.00 0.00 C ATOM 153 CG ARG A 9 12.410 3.973 0.952 1.00 0.00 C ATOM 154 CD ARG A 9 12.956 4.493 2.269 1.00 0.00 C ATOM 155 NE ARG A 9 12.580 5.899 2.472 1.00 0.00 N ATOM 156 CZ ARG A 9 13.165 6.763 3.310 1.00 0.00 C ATOM 157 NH1 ARG A 9 14.308 6.456 3.914 1.00 0.00 N ATOM 158 NH2 ARG A 9 12.600 7.951 3.521 1.00 0.00 N ATOM 0 H ARG A 9 10.618 2.880 -1.690 1.00 0.00 H new ATOM 0 HA ARG A 9 12.765 2.432 -1.348 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.050 1.960 1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.659 2.239 0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.902 4.491 0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.347 4.206 0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.573 3.887 3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.042 4.397 2.281 1.00 0.00 H new ATOM 0 HE ARG A 9 11.797 6.251 1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.750 5.553 3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.744 7.123 4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.731 8.194 3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.037 8.618 4.158 1.00 0.00 H new ATOM 172 N GLY A 10 11.532 -0.237 -1.445 1.00 0.00 N ATOM 173 CA GLY A 10 11.638 -1.673 -1.605 1.00 0.00 C ATOM 174 C GLY A 10 10.709 -2.401 -0.672 1.00 0.00 C ATOM 175 O GLY A 10 10.490 -3.612 -0.802 1.00 0.00 O ATOM 0 H GLY A 10 10.760 0.192 -1.955 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.407 -1.944 -2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.665 -1.987 -1.416 1.00 0.00 H new ATOM 179 N ILE A 11 10.169 -1.667 0.266 1.00 0.00 N ATOM 180 CA ILE A 11 9.263 -2.200 1.242 1.00 0.00 C ATOM 181 C ILE A 11 7.876 -2.174 0.645 1.00 0.00 C ATOM 182 O ILE A 11 7.295 -1.100 0.453 1.00 0.00 O ATOM 183 CB ILE A 11 9.273 -1.335 2.531 1.00 0.00 C ATOM 184 CG1 ILE A 11 10.713 -1.151 3.037 1.00 0.00 C ATOM 185 CG2 ILE A 11 8.404 -1.981 3.614 1.00 0.00 C ATOM 186 CD1 ILE A 11 10.859 -0.084 4.106 1.00 0.00 C ATOM 0 H ILE A 11 10.351 -0.669 0.372 1.00 0.00 H new ATOM 0 HA ILE A 11 9.564 -3.214 1.505 1.00 0.00 H new ATOM 0 HB ILE A 11 8.859 -0.354 2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.072 -2.100 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.354 -0.896 2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.421 -1.363 4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.379 -2.069 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.792 -2.972 3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.903 -0.015 4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.533 0.877 3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.246 -0.347 4.968 1.00 0.00 H new ATOM 198 N CYS A 12 7.382 -3.306 0.284 1.00 0.00 N ATOM 199 CA CYS A 12 6.067 -3.387 -0.276 1.00 0.00 C ATOM 200 C CYS A 12 5.101 -3.873 0.776 1.00 0.00 C ATOM 201 O CYS A 12 5.314 -4.920 1.402 1.00 0.00 O ATOM 202 CB CYS A 12 6.038 -4.273 -1.515 1.00 0.00 C ATOM 203 SG CYS A 12 7.146 -3.717 -2.867 1.00 0.00 S ATOM 0 H CYS A 12 7.868 -4.199 0.365 1.00 0.00 H new ATOM 0 HA CYS A 12 5.762 -2.392 -0.599 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.315 -5.288 -1.228 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.016 -4.316 -1.893 1.00 0.00 H new ATOM 208 N TYR A 13 4.070 -3.111 0.994 1.00 0.00 N ATOM 209 CA TYR A 13 3.111 -3.399 2.007 1.00 0.00 C ATOM 210 C TYR A 13 1.721 -3.212 1.457 1.00 0.00 C ATOM 211 O TYR A 13 1.502 -2.357 0.583 1.00 0.00 O ATOM 212 CB TYR A 13 3.359 -2.511 3.250 1.00 0.00 C ATOM 213 CG TYR A 13 3.423 -1.009 2.971 1.00 0.00 C ATOM 214 CD1 TYR A 13 2.311 -0.202 3.142 1.00 0.00 C ATOM 215 CD2 TYR A 13 4.604 -0.405 2.545 1.00 0.00 C ATOM 216 CE1 TYR A 13 2.370 1.153 2.902 1.00 0.00 C ATOM 217 CE2 TYR A 13 4.667 0.949 2.301 1.00 0.00 C ATOM 218 CZ TYR A 13 3.548 1.722 2.481 1.00 0.00 C ATOM 219 OH TYR A 13 3.607 3.070 2.254 1.00 0.00 O ATOM 0 H TYR A 13 3.873 -2.262 0.464 1.00 0.00 H new ATOM 0 HA TYR A 13 3.214 -4.437 2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.566 -2.697 3.974 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.295 -2.819 3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.381 -0.643 3.469 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.487 -1.010 2.403 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.493 1.767 3.044 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.591 1.399 1.970 1.00 0.00 H new ATOM 0 HH TYR A 13 4.510 3.313 1.962 1.00 0.00 H new ATOM 229 N ARG A 14 0.808 -4.018 1.921 1.00 0.00 N ATOM 230 CA ARG A 14 -0.549 -3.944 1.478 1.00 0.00 C ATOM 231 C ARG A 14 -1.249 -2.888 2.299 1.00 0.00 C ATOM 232 O ARG A 14 -1.593 -3.107 3.465 1.00 0.00 O ATOM 233 CB ARG A 14 -1.241 -5.301 1.636 1.00 0.00 C ATOM 234 CG ARG A 14 -2.553 -5.423 0.884 1.00 0.00 C ATOM 235 CD ARG A 14 -3.194 -6.777 1.128 1.00 0.00 C ATOM 236 NE ARG A 14 -4.339 -7.014 0.234 1.00 0.00 N ATOM 237 CZ ARG A 14 -5.583 -7.342 0.626 1.00 0.00 C ATOM 238 NH1 ARG A 14 -5.895 -7.405 1.918 1.00 0.00 N ATOM 239 NH2 ARG A 14 -6.519 -7.585 -0.282 1.00 0.00 N ATOM 0 H ARG A 14 0.987 -4.743 2.616 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.586 -3.681 0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.564 -6.083 1.292 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.424 -5.481 2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.233 -4.632 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.379 -5.286 -0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.451 -7.561 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.524 -6.840 2.165 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.175 -6.922 -0.768 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.187 -7.203 2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.842 -7.655 2.202 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.295 -7.523 -1.275 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.463 -7.834 0.013 1.00 0.00 H new ATOM 253 N LYS A 15 -1.386 -1.740 1.728 1.00 0.00 N ATOM 254 CA LYS A 15 -2.012 -0.642 2.386 1.00 0.00 C ATOM 255 C LYS A 15 -3.475 -0.618 1.994 1.00 0.00 C ATOM 256 O LYS A 15 -3.823 -0.844 0.828 1.00 0.00 O ATOM 257 CB LYS A 15 -1.333 0.674 2.000 1.00 0.00 C ATOM 258 CG LYS A 15 -1.786 1.873 2.818 1.00 0.00 C ATOM 259 CD LYS A 15 -1.116 3.147 2.360 1.00 0.00 C ATOM 260 CE LYS A 15 -1.479 4.321 3.260 1.00 0.00 C ATOM 261 NZ LYS A 15 -0.991 4.141 4.649 1.00 0.00 N ATOM 0 H LYS A 15 -1.064 -1.534 0.782 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.920 -0.759 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.255 0.559 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.526 0.874 0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.868 1.981 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.561 1.701 3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.035 3.010 2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.413 3.367 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.057 5.237 2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.562 4.445 3.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.016 5.054 5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.600 3.459 5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.015 3.783 4.630 1.00 0.00 H new ATOM 275 N CYS A 16 -4.320 -0.382 2.936 1.00 0.00 N ATOM 276 CA CYS A 16 -5.725 -0.333 2.662 1.00 0.00 C ATOM 277 C CYS A 16 -6.267 1.059 2.895 1.00 0.00 C ATOM 278 O CYS A 16 -5.948 1.710 3.887 1.00 0.00 O ATOM 279 CB CYS A 16 -6.496 -1.379 3.476 1.00 0.00 C ATOM 280 SG CYS A 16 -6.007 -3.118 3.138 1.00 0.00 S ATOM 0 H CYS A 16 -4.067 -0.218 3.910 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.869 -0.578 1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.352 -1.174 4.537 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.561 -1.268 3.271 1.00 0.00 H new ATOM 285 N ARG A 17 -7.034 1.520 1.959 1.00 0.00 N ATOM 286 CA ARG A 17 -7.667 2.798 2.015 1.00 0.00 C ATOM 287 C ARG A 17 -9.164 2.579 1.920 1.00 0.00 C ATOM 288 O ARG A 17 -9.698 2.294 0.837 1.00 0.00 O ATOM 289 CB ARG A 17 -7.164 3.701 0.873 1.00 0.00 C ATOM 290 CG ARG A 17 -7.811 5.080 0.820 1.00 0.00 C ATOM 291 CD ARG A 17 -7.535 5.892 2.074 1.00 0.00 C ATOM 292 NE ARG A 17 -8.224 7.191 2.051 1.00 0.00 N ATOM 293 CZ ARG A 17 -8.133 8.136 3.007 1.00 0.00 C ATOM 294 NH1 ARG A 17 -7.289 7.987 4.029 1.00 0.00 N ATOM 295 NH2 ARG A 17 -8.872 9.234 2.926 1.00 0.00 N ATOM 0 H ARG A 17 -7.243 1.000 1.107 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.426 3.302 2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.086 3.824 0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.340 3.195 -0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.439 5.621 -0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.888 4.970 0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.855 5.327 2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.461 6.053 2.173 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.818 7.393 1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.706 7.152 4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.227 8.708 4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.509 9.363 2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.803 9.950 3.650 1.00 0.00 H new