USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 272 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 6 HIS : no HD1:sc= -0.816 X(o=-0.82,f=-0.54) USER MOD Single : A 8 LYS NZ :NH3+ -125:sc= -2.53! (180deg=-4.9!) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0546) USER MOD Single : A 13 ASN : amide:sc= -1.3 K(o=-1.3,f=-5.4!) USER MOD Single : A 14 LYS NZ :NH3+ 141:sc= 0.373 (180deg=-0.221) USER MOD Single : A 18 SER OG : rot -23:sc= 0.245 USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= -0.457 (180deg=-1.36) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -6.25! K(o=-6.3!,f=-0.82) USER MOD Single : A 30 LYS NZ :NH3+ -110:sc= -6.6! (180deg=-9.38!) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 2.035 -0.796 -3.676 1.00 1.00 N ATOM 11 CA ASP A 2 1.018 -1.404 -4.568 1.00 1.00 C ATOM 12 C ASP A 2 1.681 -2.309 -5.595 1.00 1.00 C ATOM 13 O ASP A 2 2.724 -1.975 -6.113 1.00 1.00 O ATOM 14 CB ASP A 2 0.266 -0.309 -5.277 1.00 1.00 C ATOM 15 CG ASP A 2 -0.671 -0.897 -6.355 1.00 1.00 C ATOM 16 OD1 ASP A 2 -1.621 -1.552 -5.958 1.00 1.00 O ATOM 17 OD2 ASP A 2 -0.377 -0.661 -7.516 1.00 1.00 O ATOM 0 HA ASP A 2 0.332 -2.002 -3.968 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -0.316 0.264 -4.556 1.00 1.00 H new ATOM 0 HB3 ASP A 2 0.971 0.382 -5.739 1.00 1.00 H new ATOM 22 N CYS A 3 1.058 -3.418 -5.884 1.00 1.00 N ATOM 23 CA CYS A 3 1.652 -4.351 -6.877 1.00 1.00 C ATOM 24 C CYS A 3 1.194 -3.933 -8.275 1.00 1.00 C ATOM 25 O CYS A 3 0.447 -4.619 -8.947 1.00 1.00 O ATOM 26 CB CYS A 3 1.188 -5.760 -6.526 1.00 1.00 C ATOM 27 SG CYS A 3 1.601 -6.394 -4.882 1.00 1.00 S ATOM 0 H CYS A 3 0.171 -3.715 -5.478 1.00 1.00 H new ATOM 0 HA CYS A 3 2.742 -4.326 -6.860 1.00 1.00 H new ATOM 0 HB2 CYS A 3 0.104 -5.794 -6.636 1.00 1.00 H new ATOM 0 HB3 CYS A 3 1.605 -6.445 -7.264 1.00 1.00 H new ATOM 32 N LEU A 4 1.687 -2.776 -8.648 1.00 1.00 N ATOM 33 CA LEU A 4 1.374 -2.173 -9.982 1.00 1.00 C ATOM 34 C LEU A 4 1.649 -3.166 -11.145 1.00 1.00 C ATOM 35 O LEU A 4 2.334 -4.151 -10.945 1.00 1.00 O ATOM 36 CB LEU A 4 2.236 -0.876 -10.083 1.00 1.00 C ATOM 37 CG LEU A 4 3.784 -1.093 -10.251 1.00 1.00 C ATOM 38 CD1 LEU A 4 4.361 -2.213 -9.341 1.00 1.00 C ATOM 39 CD2 LEU A 4 4.174 -1.340 -11.713 1.00 1.00 C ATOM 0 H LEU A 4 2.308 -2.211 -8.069 1.00 1.00 H new ATOM 0 HA LEU A 4 0.314 -1.935 -10.070 1.00 1.00 H new ATOM 0 HB2 LEU A 4 1.877 -0.289 -10.928 1.00 1.00 H new ATOM 0 HB3 LEU A 4 2.067 -0.280 -9.186 1.00 1.00 H new ATOM 0 HG LEU A 4 4.236 -0.157 -9.922 1.00 1.00 H new ATOM 0 HD11 LEU A 4 5.434 -2.305 -9.512 1.00 1.00 H new ATOM 0 HD12 LEU A 4 4.181 -1.962 -8.296 1.00 1.00 H new ATOM 0 HD13 LEU A 4 3.874 -3.159 -9.576 1.00 1.00 H new ATOM 0 HD21 LEU A 4 5.252 -1.485 -11.783 1.00 1.00 H new ATOM 0 HD22 LEU A 4 3.664 -2.231 -12.080 1.00 1.00 H new ATOM 0 HD23 LEU A 4 3.884 -0.481 -12.317 1.00 1.00 H new ATOM 51 N PRO A 5 1.127 -2.906 -12.324 1.00 1.00 N ATOM 52 CA PRO A 5 1.409 -3.750 -13.521 1.00 1.00 C ATOM 53 C PRO A 5 2.810 -3.472 -14.112 1.00 1.00 C ATOM 54 O PRO A 5 3.807 -3.954 -13.609 1.00 1.00 O ATOM 55 CB PRO A 5 0.249 -3.403 -14.458 1.00 1.00 C ATOM 56 CG PRO A 5 0.029 -1.891 -14.170 1.00 1.00 C ATOM 57 CD PRO A 5 0.189 -1.786 -12.638 1.00 1.00 C ATOM 0 HA PRO A 5 1.453 -4.819 -13.310 1.00 1.00 H new ATOM 0 HB2 PRO A 5 0.502 -3.585 -15.502 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -0.641 -3.992 -14.238 1.00 1.00 H new ATOM 0 HG2 PRO A 5 0.759 -1.273 -14.693 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -0.958 -1.561 -14.494 1.00 1.00 H new ATOM 0 HD2 PRO A 5 0.598 -0.821 -12.340 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -0.765 -1.901 -12.123 1.00 1.00 H new ATOM 65 N HIS A 6 2.824 -2.706 -15.168 1.00 1.00 N ATOM 66 CA HIS A 6 4.085 -2.325 -15.875 1.00 1.00 C ATOM 67 C HIS A 6 4.975 -1.326 -15.103 1.00 1.00 C ATOM 68 O HIS A 6 4.473 -0.323 -14.639 1.00 1.00 O ATOM 69 CB HIS A 6 3.691 -1.722 -17.235 1.00 1.00 C ATOM 70 CG HIS A 6 4.933 -1.301 -18.031 1.00 1.00 C ATOM 71 ND1 HIS A 6 5.728 -2.102 -18.659 1.00 1.00 N ATOM 72 CD2 HIS A 6 5.468 -0.044 -18.254 1.00 1.00 C ATOM 73 CE1 HIS A 6 6.673 -1.421 -19.225 1.00 1.00 C ATOM 74 NE2 HIS A 6 6.551 -0.137 -19.000 1.00 1.00 N ATOM 0 H HIS A 6 1.981 -2.313 -15.587 1.00 1.00 H new ATOM 0 HA HIS A 6 4.688 -3.227 -15.977 1.00 1.00 H new ATOM 0 HB2 HIS A 6 3.118 -2.451 -17.808 1.00 1.00 H new ATOM 0 HB3 HIS A 6 3.044 -0.858 -17.080 1.00 1.00 H new ATOM 0 HD2 HIS A 6 5.058 0.879 -17.872 1.00 1.00 H new ATOM 0 HE1 HIS A 6 7.466 -1.860 -19.812 1.00 1.00 H new ATOM 0 HE2 HIS A 6 7.155 0.617 -19.327 1.00 1.00 H new ATOM 82 N LEU A 7 6.241 -1.668 -15.011 1.00 1.00 N ATOM 83 CA LEU A 7 7.344 -0.899 -14.342 1.00 1.00 C ATOM 84 C LEU A 7 7.258 0.619 -14.566 1.00 1.00 C ATOM 85 O LEU A 7 8.032 1.219 -15.286 1.00 1.00 O ATOM 86 CB LEU A 7 8.680 -1.492 -14.876 1.00 1.00 C ATOM 87 CG LEU A 7 8.733 -1.518 -16.444 1.00 1.00 C ATOM 88 CD1 LEU A 7 10.160 -1.196 -16.923 1.00 1.00 C ATOM 89 CD2 LEU A 7 8.402 -2.947 -16.957 1.00 1.00 C ATOM 0 H LEU A 7 6.581 -2.540 -15.417 1.00 1.00 H new ATOM 0 HA LEU A 7 7.265 -1.009 -13.260 1.00 1.00 H new ATOM 0 HB2 LEU A 7 9.515 -0.903 -14.496 1.00 1.00 H new ATOM 0 HB3 LEU A 7 8.804 -2.505 -14.493 1.00 1.00 H new ATOM 0 HG LEU A 7 8.017 -0.788 -16.821 1.00 1.00 H new ATOM 0 HD11 LEU A 7 10.191 -1.215 -18.012 1.00 1.00 H new ATOM 0 HD12 LEU A 7 10.448 -0.206 -16.569 1.00 1.00 H new ATOM 0 HD13 LEU A 7 10.853 -1.938 -16.527 1.00 1.00 H new ATOM 0 HD21 LEU A 7 8.440 -2.960 -18.046 1.00 1.00 H new ATOM 0 HD22 LEU A 7 9.130 -3.654 -16.560 1.00 1.00 H new ATOM 0 HD23 LEU A 7 7.403 -3.230 -16.625 1.00 1.00 H new ATOM 101 N LYS A 8 6.279 1.175 -13.905 1.00 1.00 N ATOM 102 CA LYS A 8 6.008 2.639 -13.978 1.00 1.00 C ATOM 103 C LYS A 8 7.077 3.465 -13.277 1.00 1.00 C ATOM 104 O LYS A 8 7.886 2.943 -12.532 1.00 1.00 O ATOM 105 CB LYS A 8 4.657 2.913 -13.353 1.00 1.00 C ATOM 106 CG LYS A 8 4.591 2.431 -11.890 1.00 1.00 C ATOM 107 CD LYS A 8 3.181 2.683 -11.319 1.00 1.00 C ATOM 108 CE LYS A 8 2.093 2.116 -12.263 1.00 1.00 C ATOM 109 NZ LYS A 8 1.805 3.053 -13.388 1.00 1.00 N ATOM 0 H LYS A 8 5.638 0.660 -13.301 1.00 1.00 H new ATOM 0 HA LYS A 8 6.018 2.933 -15.028 1.00 1.00 H new ATOM 0 HB2 LYS A 8 4.449 3.982 -13.393 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.881 2.416 -13.934 1.00 1.00 H new ATOM 0 HG2 LYS A 8 4.830 1.369 -11.836 1.00 1.00 H new ATOM 0 HG3 LYS A 8 5.335 2.956 -11.291 1.00 1.00 H new ATOM 0 HD2 LYS A 8 3.094 2.219 -10.337 1.00 1.00 H new ATOM 0 HD3 LYS A 8 3.026 3.753 -11.181 1.00 1.00 H new ATOM 0 HE2 LYS A 8 2.420 1.156 -12.662 1.00 1.00 H new ATOM 0 HE3 LYS A 8 1.179 1.932 -11.698 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.787 3.267 -13.410 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 2.341 3.934 -13.252 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 2.086 2.612 -14.287 1.00 1.00 H new ATOM 123 N LEU A 9 7.029 4.743 -13.548 1.00 1.00 N ATOM 124 CA LEU A 9 7.981 5.688 -12.965 1.00 1.00 C ATOM 125 C LEU A 9 7.755 5.908 -11.464 1.00 1.00 C ATOM 126 O LEU A 9 6.646 5.814 -10.973 1.00 1.00 O ATOM 127 CB LEU A 9 7.847 7.000 -13.736 1.00 1.00 C ATOM 128 CG LEU A 9 6.379 7.547 -13.802 1.00 1.00 C ATOM 129 CD1 LEU A 9 6.426 9.091 -13.721 1.00 1.00 C ATOM 130 CD2 LEU A 9 5.731 7.191 -15.168 1.00 1.00 C ATOM 0 H LEU A 9 6.342 5.168 -14.171 1.00 1.00 H new ATOM 0 HA LEU A 9 8.989 5.283 -13.051 1.00 1.00 H new ATOM 0 HB2 LEU A 9 8.484 7.751 -13.270 1.00 1.00 H new ATOM 0 HB3 LEU A 9 8.216 6.854 -14.751 1.00 1.00 H new ATOM 0 HG LEU A 9 5.807 7.109 -12.984 1.00 1.00 H new ATOM 0 HD11 LEU A 9 5.412 9.489 -13.766 1.00 1.00 H new ATOM 0 HD12 LEU A 9 6.893 9.392 -12.783 1.00 1.00 H new ATOM 0 HD13 LEU A 9 7.006 9.482 -14.557 1.00 1.00 H new ATOM 0 HD21 LEU A 9 4.712 7.577 -15.199 1.00 1.00 H new ATOM 0 HD22 LEU A 9 6.313 7.637 -15.974 1.00 1.00 H new ATOM 0 HD23 LEU A 9 5.712 6.108 -15.291 1.00 1.00 H new ATOM 142 N CYS A 10 8.839 6.195 -10.792 1.00 1.00 N ATOM 143 CA CYS A 10 8.809 6.447 -9.333 1.00 1.00 C ATOM 144 C CYS A 10 10.100 7.166 -8.913 1.00 1.00 C ATOM 145 O CYS A 10 10.957 7.452 -9.728 1.00 1.00 O ATOM 146 CB CYS A 10 8.698 5.111 -8.530 1.00 1.00 C ATOM 147 SG CYS A 10 10.221 4.431 -7.824 1.00 1.00 S ATOM 0 H CYS A 10 9.766 6.265 -11.212 1.00 1.00 H new ATOM 0 HA CYS A 10 7.936 7.063 -9.114 1.00 1.00 H new ATOM 0 HB2 CYS A 10 7.990 5.266 -7.716 1.00 1.00 H new ATOM 0 HB3 CYS A 10 8.267 4.357 -9.189 1.00 1.00 H new ATOM 152 N LYS A 11 10.172 7.436 -7.635 1.00 1.00 N ATOM 153 CA LYS A 11 11.355 8.123 -7.031 1.00 1.00 C ATOM 154 C LYS A 11 11.813 7.225 -5.864 1.00 1.00 C ATOM 155 O LYS A 11 12.999 7.063 -5.647 1.00 1.00 O ATOM 156 CB LYS A 11 10.911 9.559 -6.584 1.00 1.00 C ATOM 157 CG LYS A 11 10.313 9.693 -5.153 1.00 1.00 C ATOM 158 CD LYS A 11 11.406 9.636 -4.034 1.00 1.00 C ATOM 159 CE LYS A 11 12.573 10.606 -4.314 1.00 1.00 C ATOM 160 NZ LYS A 11 12.073 11.999 -4.489 1.00 1.00 N ATOM 0 H LYS A 11 9.439 7.202 -6.966 1.00 1.00 H new ATOM 0 HA LYS A 11 12.191 8.259 -7.717 1.00 1.00 H new ATOM 0 HB2 LYS A 11 11.775 10.220 -6.655 1.00 1.00 H new ATOM 0 HB3 LYS A 11 10.172 9.924 -7.297 1.00 1.00 H new ATOM 0 HG2 LYS A 11 9.770 10.635 -5.077 1.00 1.00 H new ATOM 0 HG3 LYS A 11 9.590 8.894 -4.990 1.00 1.00 H new ATOM 0 HD2 LYS A 11 10.954 9.881 -3.073 1.00 1.00 H new ATOM 0 HD3 LYS A 11 11.791 8.619 -3.955 1.00 1.00 H new ATOM 0 HE2 LYS A 11 13.286 10.572 -3.490 1.00 1.00 H new ATOM 0 HE3 LYS A 11 13.106 10.291 -5.211 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 12.878 12.657 -4.507 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 11.548 12.070 -5.384 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 11.443 12.244 -3.698 1.00 1.00 H new ATOM 174 N GLU A 12 10.854 6.675 -5.150 1.00 1.00 N ATOM 175 CA GLU A 12 11.130 5.772 -3.985 1.00 1.00 C ATOM 176 C GLU A 12 10.532 4.378 -4.281 1.00 1.00 C ATOM 177 O GLU A 12 9.508 4.257 -4.926 1.00 1.00 O ATOM 178 CB GLU A 12 10.485 6.402 -2.733 1.00 1.00 C ATOM 179 CG GLU A 12 10.697 5.515 -1.491 1.00 1.00 C ATOM 180 CD GLU A 12 10.188 6.269 -0.247 1.00 1.00 C ATOM 181 OE1 GLU A 12 10.876 7.200 0.142 1.00 1.00 O ATOM 182 OE2 GLU A 12 9.141 5.884 0.247 1.00 1.00 O ATOM 0 H GLU A 12 9.862 6.821 -5.335 1.00 1.00 H new ATOM 0 HA GLU A 12 12.200 5.655 -3.815 1.00 1.00 H new ATOM 0 HB2 GLU A 12 10.915 7.388 -2.557 1.00 1.00 H new ATOM 0 HB3 GLU A 12 9.418 6.545 -2.903 1.00 1.00 H new ATOM 0 HG2 GLU A 12 10.162 4.572 -1.605 1.00 1.00 H new ATOM 0 HG3 GLU A 12 11.753 5.271 -1.378 1.00 1.00 H new ATOM 189 N ASN A 13 11.204 3.371 -3.782 1.00 1.00 N ATOM 190 CA ASN A 13 10.774 1.951 -3.974 1.00 1.00 C ATOM 191 C ASN A 13 9.366 1.635 -3.440 1.00 1.00 C ATOM 192 O ASN A 13 8.602 0.961 -4.109 1.00 1.00 O ATOM 193 CB ASN A 13 11.838 1.058 -3.301 1.00 1.00 C ATOM 194 CG ASN A 13 11.899 1.296 -1.789 1.00 1.00 C ATOM 195 OD1 ASN A 13 11.128 0.741 -1.033 1.00 1.00 O ATOM 196 ND2 ASN A 13 12.795 2.114 -1.312 1.00 1.00 N ATOM 0 H ASN A 13 12.057 3.478 -3.234 1.00 1.00 H new ATOM 0 HA ASN A 13 10.702 1.757 -5.044 1.00 1.00 H new ATOM 0 HB2 ASN A 13 11.611 0.010 -3.496 1.00 1.00 H new ATOM 0 HB3 ASN A 13 12.814 1.260 -3.741 1.00 1.00 H new ATOM 0 HD21 ASN A 13 12.846 2.285 -0.308 1.00 1.00 H new ATOM 0 HD22 ASN A 13 13.445 2.583 -1.943 1.00 1.00 H new ATOM 203 N LYS A 14 9.080 2.135 -2.260 1.00 1.00 N ATOM 204 CA LYS A 14 7.753 1.929 -1.584 1.00 1.00 C ATOM 205 C LYS A 14 6.575 1.989 -2.562 1.00 1.00 C ATOM 206 O LYS A 14 5.582 1.318 -2.363 1.00 1.00 O ATOM 207 CB LYS A 14 7.579 3.014 -0.489 1.00 1.00 C ATOM 208 CG LYS A 14 7.755 2.429 0.942 1.00 1.00 C ATOM 209 CD LYS A 14 9.130 1.743 1.164 1.00 1.00 C ATOM 210 CE LYS A 14 10.300 2.744 1.065 1.00 1.00 C ATOM 211 NZ LYS A 14 10.195 3.778 2.134 1.00 1.00 N ATOM 0 H LYS A 14 9.735 2.698 -1.717 1.00 1.00 H new ATOM 0 HA LYS A 14 7.751 0.930 -1.148 1.00 1.00 H new ATOM 0 HB2 LYS A 14 8.307 3.810 -0.648 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.590 3.464 -0.578 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.635 3.230 1.671 1.00 1.00 H new ATOM 0 HG3 LYS A 14 6.962 1.705 1.131 1.00 1.00 H new ATOM 0 HD2 LYS A 14 9.143 1.266 2.144 1.00 1.00 H new ATOM 0 HD3 LYS A 14 9.265 0.954 0.424 1.00 1.00 H new ATOM 0 HE2 LYS A 14 11.248 2.214 1.155 1.00 1.00 H new ATOM 0 HE3 LYS A 14 10.295 3.223 0.086 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 11.143 3.994 2.503 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 9.772 4.643 1.740 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 9.597 3.420 2.906 1.00 1.00 H new ATOM 225 N ASP A 15 6.745 2.800 -3.579 1.00 1.00 N ATOM 226 CA ASP A 15 5.704 2.991 -4.645 1.00 1.00 C ATOM 227 C ASP A 15 5.031 1.661 -5.014 1.00 1.00 C ATOM 228 O ASP A 15 3.824 1.559 -5.123 1.00 1.00 O ATOM 229 CB ASP A 15 6.372 3.595 -5.913 1.00 1.00 C ATOM 230 CG ASP A 15 5.369 3.823 -7.081 1.00 1.00 C ATOM 231 OD1 ASP A 15 4.172 3.860 -6.835 1.00 1.00 O ATOM 232 OD2 ASP A 15 5.867 3.958 -8.186 1.00 1.00 O ATOM 0 H ASP A 15 7.589 3.356 -3.720 1.00 1.00 H new ATOM 0 HA ASP A 15 4.940 3.666 -4.259 1.00 1.00 H new ATOM 0 HB2 ASP A 15 6.840 4.545 -5.653 1.00 1.00 H new ATOM 0 HB3 ASP A 15 7.167 2.930 -6.249 1.00 1.00 H new ATOM 237 N CYS A 16 5.883 0.687 -5.188 1.00 1.00 N ATOM 238 CA CYS A 16 5.473 -0.682 -5.555 1.00 1.00 C ATOM 239 C CYS A 16 5.573 -1.634 -4.364 1.00 1.00 C ATOM 240 O CYS A 16 6.421 -1.448 -3.517 1.00 1.00 O ATOM 241 CB CYS A 16 6.396 -1.015 -6.695 1.00 1.00 C ATOM 242 SG CYS A 16 5.893 -0.097 -8.175 1.00 1.00 S ATOM 0 H CYS A 16 6.891 0.800 -5.083 1.00 1.00 H new ATOM 0 HA CYS A 16 4.428 -0.773 -5.850 1.00 1.00 H new ATOM 0 HB2 CYS A 16 7.423 -0.763 -6.430 1.00 1.00 H new ATOM 0 HB3 CYS A 16 6.372 -2.086 -6.894 1.00 1.00 H new ATOM 247 N CYS A 17 4.710 -2.624 -4.330 1.00 1.00 N ATOM 248 CA CYS A 17 4.695 -3.622 -3.242 1.00 1.00 C ATOM 249 C CYS A 17 5.990 -4.426 -3.371 1.00 1.00 C ATOM 250 O CYS A 17 6.553 -4.884 -2.396 1.00 1.00 O ATOM 251 CB CYS A 17 3.473 -4.511 -3.427 1.00 1.00 C ATOM 252 SG CYS A 17 3.538 -5.898 -4.591 1.00 1.00 S ATOM 0 H CYS A 17 3.996 -2.775 -5.043 1.00 1.00 H new ATOM 0 HA CYS A 17 4.638 -3.167 -2.253 1.00 1.00 H new ATOM 0 HB2 CYS A 17 3.216 -4.919 -2.449 1.00 1.00 H new ATOM 0 HB3 CYS A 17 2.647 -3.869 -3.732 1.00 1.00 H new ATOM 257 N SER A 18 6.404 -4.557 -4.609 1.00 1.00 N ATOM 258 CA SER A 18 7.637 -5.291 -4.962 1.00 1.00 C ATOM 259 C SER A 18 8.843 -4.465 -4.481 1.00 1.00 C ATOM 260 O SER A 18 9.954 -4.955 -4.462 1.00 1.00 O ATOM 261 CB SER A 18 7.674 -5.478 -6.492 1.00 1.00 C ATOM 262 OG SER A 18 8.853 -6.229 -6.757 1.00 1.00 O ATOM 0 H SER A 18 5.911 -4.166 -5.411 1.00 1.00 H new ATOM 0 HA SER A 18 7.666 -6.272 -4.488 1.00 1.00 H new ATOM 0 HB2 SER A 18 6.787 -6.004 -6.844 1.00 1.00 H new ATOM 0 HB3 SER A 18 7.699 -4.516 -7.004 1.00 1.00 H new ATOM 0 HG SER A 18 9.485 -6.118 -6.016 1.00 1.00 H new ATOM 268 N LYS A 19 8.554 -3.238 -4.105 1.00 1.00 N ATOM 269 CA LYS A 19 9.558 -2.254 -3.606 1.00 1.00 C ATOM 270 C LYS A 19 10.946 -2.378 -4.245 1.00 1.00 C ATOM 271 O LYS A 19 11.948 -2.282 -3.559 1.00 1.00 O ATOM 272 CB LYS A 19 9.665 -2.423 -2.074 1.00 1.00 C ATOM 273 CG LYS A 19 8.321 -2.025 -1.491 1.00 1.00 C ATOM 274 CD LYS A 19 8.300 -2.168 0.024 1.00 1.00 C ATOM 275 CE LYS A 19 6.949 -1.627 0.518 1.00 1.00 C ATOM 276 NZ LYS A 19 5.833 -2.317 -0.190 1.00 1.00 N ATOM 0 H LYS A 19 7.605 -2.865 -4.129 1.00 1.00 H new ATOM 0 HA LYS A 19 9.206 -1.261 -3.887 1.00 1.00 H new ATOM 0 HB2 LYS A 19 9.908 -3.454 -1.815 1.00 1.00 H new ATOM 0 HB3 LYS A 19 10.461 -1.797 -1.671 1.00 1.00 H new ATOM 0 HG2 LYS A 19 8.098 -0.993 -1.762 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.538 -2.645 -1.926 1.00 1.00 H new ATOM 0 HD2 LYS A 19 8.424 -3.212 0.313 1.00 1.00 H new ATOM 0 HD3 LYS A 19 9.123 -1.613 0.473 1.00 1.00 H new ATOM 0 HE2 LYS A 19 6.858 -1.780 1.593 1.00 1.00 H new ATOM 0 HE3 LYS A 19 6.892 -0.553 0.343 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 5.024 -2.420 0.455 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 5.547 -1.756 -1.017 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 6.149 -3.257 -0.502 1.00 1.00 H new ATOM 290 N LYS A 20 10.975 -2.595 -5.541 1.00 1.00 N ATOM 291 CA LYS A 20 12.312 -2.708 -6.196 1.00 1.00 C ATOM 292 C LYS A 20 12.286 -1.826 -7.433 1.00 1.00 C ATOM 293 O LYS A 20 12.396 -2.266 -8.558 1.00 1.00 O ATOM 294 CB LYS A 20 12.599 -4.221 -6.524 1.00 1.00 C ATOM 295 CG LYS A 20 13.076 -4.984 -5.256 1.00 1.00 C ATOM 296 CD LYS A 20 14.441 -4.465 -4.718 1.00 1.00 C ATOM 297 CE LYS A 20 15.551 -4.609 -5.779 1.00 1.00 C ATOM 298 NZ LYS A 20 16.853 -4.155 -5.213 1.00 1.00 N ATOM 0 H LYS A 20 10.163 -2.695 -6.150 1.00 1.00 H new ATOM 0 HA LYS A 20 13.121 -2.370 -5.549 1.00 1.00 H new ATOM 0 HB2 LYS A 20 11.697 -4.689 -6.917 1.00 1.00 H new ATOM 0 HB3 LYS A 20 13.359 -4.291 -7.302 1.00 1.00 H new ATOM 0 HG2 LYS A 20 12.322 -4.888 -4.475 1.00 1.00 H new ATOM 0 HG3 LYS A 20 13.162 -6.046 -5.487 1.00 1.00 H new ATOM 0 HD2 LYS A 20 14.346 -3.419 -4.427 1.00 1.00 H new ATOM 0 HD3 LYS A 20 14.717 -5.021 -3.822 1.00 1.00 H new ATOM 0 HE2 LYS A 20 15.626 -5.648 -6.101 1.00 1.00 H new ATOM 0 HE3 LYS A 20 15.302 -4.019 -6.661 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 17.598 -4.254 -5.932 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 16.778 -3.158 -4.927 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 17.093 -4.736 -4.384 1.00 1.00 H new ATOM 312 N CYS A 21 12.138 -0.554 -7.165 1.00 1.00 N ATOM 313 CA CYS A 21 12.095 0.435 -8.274 1.00 1.00 C ATOM 314 C CYS A 21 13.519 0.988 -8.368 1.00 1.00 C ATOM 315 O CYS A 21 14.094 1.361 -7.363 1.00 1.00 O ATOM 316 CB CYS A 21 11.052 1.512 -7.913 1.00 1.00 C ATOM 317 SG CYS A 21 10.819 2.923 -9.025 1.00 1.00 S ATOM 0 H CYS A 21 12.046 -0.162 -6.228 1.00 1.00 H new ATOM 0 HA CYS A 21 11.798 0.021 -9.238 1.00 1.00 H new ATOM 0 HB2 CYS A 21 10.088 1.014 -7.809 1.00 1.00 H new ATOM 0 HB3 CYS A 21 11.314 1.907 -6.932 1.00 1.00 H new ATOM 322 N LYS A 22 14.043 1.021 -9.573 1.00 1.00 N ATOM 323 CA LYS A 22 15.449 1.535 -9.768 1.00 1.00 C ATOM 324 C LYS A 22 15.664 2.569 -10.870 1.00 1.00 C ATOM 325 O LYS A 22 14.949 2.607 -11.855 1.00 1.00 O ATOM 326 CB LYS A 22 16.384 0.341 -10.047 1.00 1.00 C ATOM 327 CG LYS A 22 16.642 -0.507 -8.773 1.00 1.00 C ATOM 328 CD LYS A 22 17.331 0.320 -7.646 1.00 1.00 C ATOM 329 CE LYS A 22 18.597 1.040 -8.169 1.00 1.00 C ATOM 330 NZ LYS A 22 19.282 1.736 -7.043 1.00 1.00 N ATOM 0 H LYS A 22 13.568 0.719 -10.424 1.00 1.00 H new ATOM 0 HA LYS A 22 15.670 2.060 -8.839 1.00 1.00 H new ATOM 0 HB2 LYS A 22 15.945 -0.290 -10.820 1.00 1.00 H new ATOM 0 HB3 LYS A 22 17.334 0.708 -10.437 1.00 1.00 H new ATOM 0 HG2 LYS A 22 15.696 -0.903 -8.404 1.00 1.00 H new ATOM 0 HG3 LYS A 22 17.268 -1.362 -9.028 1.00 1.00 H new ATOM 0 HD2 LYS A 22 16.630 1.055 -7.251 1.00 1.00 H new ATOM 0 HD3 LYS A 22 17.600 -0.340 -6.821 1.00 1.00 H new ATOM 0 HE2 LYS A 22 19.273 0.319 -8.628 1.00 1.00 H new ATOM 0 HE3 LYS A 22 18.325 1.759 -8.942 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 20.132 2.218 -7.399 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 18.637 2.436 -6.623 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 19.556 1.040 -6.320 1.00 1.00 H new ATOM 344 N ARG A 23 16.681 3.366 -10.632 1.00 1.00 N ATOM 345 CA ARG A 23 17.085 4.450 -11.551 1.00 1.00 C ATOM 346 C ARG A 23 18.466 4.146 -12.149 1.00 1.00 C ATOM 347 O ARG A 23 19.367 3.683 -11.478 1.00 1.00 O ATOM 348 CB ARG A 23 17.128 5.799 -10.749 1.00 1.00 C ATOM 349 CG ARG A 23 17.548 6.920 -11.676 1.00 1.00 C ATOM 350 CD ARG A 23 16.489 7.096 -12.797 1.00 1.00 C ATOM 351 NE ARG A 23 17.163 6.925 -14.118 1.00 1.00 N ATOM 352 CZ ARG A 23 17.015 7.777 -15.100 1.00 1.00 C ATOM 353 NH1 ARG A 23 16.699 9.024 -14.873 1.00 1.00 N ATOM 354 NH2 ARG A 23 17.196 7.333 -16.313 1.00 1.00 N ATOM 0 H ARG A 23 17.264 3.295 -9.798 1.00 1.00 H new ATOM 0 HA ARG A 23 16.367 4.530 -12.367 1.00 1.00 H new ATOM 0 HB2 ARG A 23 16.148 6.013 -10.322 1.00 1.00 H new ATOM 0 HB3 ARG A 23 17.828 5.718 -9.917 1.00 1.00 H new ATOM 0 HG2 ARG A 23 17.655 7.848 -11.115 1.00 1.00 H new ATOM 0 HG3 ARG A 23 18.521 6.698 -12.113 1.00 1.00 H new ATOM 0 HD2 ARG A 23 15.690 6.363 -12.682 1.00 1.00 H new ATOM 0 HD3 ARG A 23 16.029 8.082 -12.732 1.00 1.00 H new ATOM 0 HE ARG A 23 17.762 6.112 -14.261 1.00 1.00 H new ATOM 0 HH11 ARG A 23 16.563 9.350 -13.916 1.00 1.00 H new ATOM 0 HH12 ARG A 23 16.588 9.672 -15.653 1.00 1.00 H new ATOM 0 HH21 ARG A 23 17.443 6.355 -16.467 1.00 1.00 H new ATOM 0 HH22 ARG A 23 17.091 7.963 -17.108 1.00 1.00 H new ATOM 368 N ARG A 24 18.546 4.434 -13.420 1.00 1.00 N ATOM 369 CA ARG A 24 19.779 4.239 -14.230 1.00 1.00 C ATOM 370 C ARG A 24 19.994 5.508 -15.066 1.00 1.00 C ATOM 371 O ARG A 24 20.009 5.502 -16.282 1.00 1.00 O ATOM 372 CB ARG A 24 19.605 2.968 -15.130 1.00 1.00 C ATOM 373 CG ARG A 24 18.309 2.943 -16.010 1.00 1.00 C ATOM 374 CD ARG A 24 17.005 2.763 -15.186 1.00 1.00 C ATOM 375 NE ARG A 24 17.223 1.687 -14.170 1.00 1.00 N ATOM 376 CZ ARG A 24 16.557 0.566 -14.233 1.00 1.00 C ATOM 377 NH1 ARG A 24 16.636 -0.159 -15.315 1.00 1.00 N ATOM 378 NH2 ARG A 24 15.836 0.208 -13.209 1.00 1.00 N ATOM 0 H ARG A 24 17.765 4.816 -13.953 1.00 1.00 H new ATOM 0 HA ARG A 24 20.654 4.078 -13.601 1.00 1.00 H new ATOM 0 HB2 ARG A 24 20.472 2.886 -15.786 1.00 1.00 H new ATOM 0 HB3 ARG A 24 19.606 2.086 -14.489 1.00 1.00 H new ATOM 0 HG2 ARG A 24 18.246 3.872 -16.577 1.00 1.00 H new ATOM 0 HG3 ARG A 24 18.387 2.132 -16.734 1.00 1.00 H new ATOM 0 HD2 ARG A 24 16.737 3.698 -14.694 1.00 1.00 H new ATOM 0 HD3 ARG A 24 16.176 2.500 -15.843 1.00 1.00 H new ATOM 0 HE ARG A 24 17.899 1.831 -13.420 1.00 1.00 H new ATOM 0 HH11 ARG A 24 17.212 0.153 -16.097 1.00 1.00 H new ATOM 0 HH12 ARG A 24 16.121 -1.037 -15.379 1.00 1.00 H new ATOM 0 HH21 ARG A 24 15.800 0.800 -12.379 1.00 1.00 H new ATOM 0 HH22 ARG A 24 15.308 -0.664 -13.237 1.00 1.00 H new ATOM 392 N GLY A 25 20.155 6.577 -14.332 1.00 1.00 N ATOM 393 CA GLY A 25 20.374 7.920 -14.922 1.00 1.00 C ATOM 394 C GLY A 25 20.766 8.938 -13.853 1.00 1.00 C ATOM 395 O GLY A 25 21.103 8.586 -12.739 1.00 1.00 O ATOM 0 H GLY A 25 20.142 6.568 -13.312 1.00 1.00 H new ATOM 0 HA2 GLY A 25 21.157 7.864 -15.679 1.00 1.00 H new ATOM 0 HA3 GLY A 25 19.466 8.250 -15.427 1.00 1.00 H new ATOM 399 N THR A 26 20.702 10.184 -14.247 1.00 1.00 N ATOM 400 CA THR A 26 21.048 11.311 -13.340 1.00 1.00 C ATOM 401 C THR A 26 19.831 11.639 -12.474 1.00 1.00 C ATOM 402 O THR A 26 19.923 11.672 -11.262 1.00 1.00 O ATOM 403 CB THR A 26 21.448 12.516 -14.207 1.00 1.00 C ATOM 404 OG1 THR A 26 22.541 12.040 -14.985 1.00 1.00 O ATOM 405 CG2 THR A 26 22.022 13.652 -13.349 1.00 1.00 C ATOM 0 H THR A 26 20.417 10.470 -15.184 1.00 1.00 H new ATOM 0 HA THR A 26 21.878 11.051 -12.683 1.00 1.00 H new ATOM 0 HB THR A 26 20.589 12.884 -14.768 1.00 1.00 H new ATOM 0 HG1 THR A 26 22.859 12.755 -15.574 1.00 1.00 H new ATOM 0 HG21 THR A 26 22.296 14.490 -13.990 1.00 1.00 H new ATOM 0 HG22 THR A 26 21.273 13.977 -12.627 1.00 1.00 H new ATOM 0 HG23 THR A 26 22.906 13.297 -12.819 1.00 1.00 H new ATOM 413 N ASN A 27 18.727 11.869 -13.135 1.00 1.00 N ATOM 414 CA ASN A 27 17.457 12.198 -12.410 1.00 1.00 C ATOM 415 C ASN A 27 17.009 10.900 -11.711 1.00 1.00 C ATOM 416 O ASN A 27 17.376 9.832 -12.153 1.00 1.00 O ATOM 417 CB ASN A 27 16.429 12.680 -13.458 1.00 1.00 C ATOM 418 CG ASN A 27 15.180 13.315 -12.819 1.00 1.00 C ATOM 419 OD1 ASN A 27 14.349 13.867 -13.509 1.00 1.00 O ATOM 420 ND2 ASN A 27 14.990 13.274 -11.528 1.00 1.00 N ATOM 0 H ASN A 27 18.647 11.844 -14.152 1.00 1.00 H new ATOM 0 HA ASN A 27 17.571 12.986 -11.666 1.00 1.00 H new ATOM 0 HB2 ASN A 27 16.903 13.406 -14.118 1.00 1.00 H new ATOM 0 HB3 ASN A 27 16.126 11.836 -14.078 1.00 1.00 H new ATOM 0 HD21 ASN A 27 14.157 13.700 -11.121 1.00 1.00 H new ATOM 0 HD22 ASN A 27 15.674 12.816 -10.926 1.00 1.00 H new ATOM 427 N ILE A 28 16.247 11.014 -10.653 1.00 1.00 N ATOM 428 CA ILE A 28 15.764 9.804 -9.903 1.00 1.00 C ATOM 429 C ILE A 28 14.708 8.968 -10.611 1.00 1.00 C ATOM 430 O ILE A 28 14.634 7.788 -10.344 1.00 1.00 O ATOM 431 CB ILE A 28 15.161 10.198 -8.545 1.00 1.00 C ATOM 432 CG1 ILE A 28 16.014 11.274 -7.856 1.00 1.00 C ATOM 433 CG2 ILE A 28 15.066 8.914 -7.647 1.00 1.00 C ATOM 434 CD1 ILE A 28 17.460 10.820 -7.648 1.00 1.00 C ATOM 0 H ILE A 28 15.932 11.905 -10.268 1.00 1.00 H new ATOM 0 HA ILE A 28 16.666 9.200 -9.808 1.00 1.00 H new ATOM 0 HB ILE A 28 14.167 10.617 -8.699 1.00 1.00 H new ATOM 0 HG12 ILE A 28 16.003 12.183 -8.457 1.00 1.00 H new ATOM 0 HG13 ILE A 28 15.571 11.524 -6.892 1.00 1.00 H new ATOM 0 HG21 ILE A 28 14.640 9.178 -6.679 1.00 1.00 H new ATOM 0 HG22 ILE A 28 14.430 8.175 -8.135 1.00 1.00 H new ATOM 0 HG23 ILE A 28 16.062 8.496 -7.503 1.00 1.00 H new ATOM 0 HD11 ILE A 28 18.024 11.614 -7.158 1.00 1.00 H new ATOM 0 HD12 ILE A 28 17.475 9.926 -7.024 1.00 1.00 H new ATOM 0 HD13 ILE A 28 17.913 10.596 -8.614 1.00 1.00 H new ATOM 446 N GLU A 29 13.946 9.593 -11.473 1.00 1.00 N ATOM 447 CA GLU A 29 12.852 8.899 -12.238 1.00 1.00 C ATOM 448 C GLU A 29 13.231 7.468 -12.661 1.00 1.00 C ATOM 449 O GLU A 29 13.733 7.198 -13.735 1.00 1.00 O ATOM 450 CB GLU A 29 12.516 9.750 -13.475 1.00 1.00 C ATOM 451 CG GLU A 29 12.126 11.171 -13.008 1.00 1.00 C ATOM 452 CD GLU A 29 11.455 11.930 -14.170 1.00 1.00 C ATOM 453 OE1 GLU A 29 10.359 11.521 -14.521 1.00 1.00 O ATOM 454 OE2 GLU A 29 12.066 12.871 -14.646 1.00 1.00 O ATOM 0 H GLU A 29 14.036 10.586 -11.688 1.00 1.00 H new ATOM 0 HA GLU A 29 11.986 8.802 -11.584 1.00 1.00 H new ATOM 0 HB2 GLU A 29 13.373 9.795 -14.147 1.00 1.00 H new ATOM 0 HB3 GLU A 29 11.697 9.298 -14.034 1.00 1.00 H new ATOM 0 HG2 GLU A 29 11.446 11.112 -12.158 1.00 1.00 H new ATOM 0 HG3 GLU A 29 13.011 11.710 -12.671 1.00 1.00 H new ATOM 461 N LYS A 30 12.931 6.614 -11.714 1.00 1.00 N ATOM 462 CA LYS A 30 13.175 5.141 -11.782 1.00 1.00 C ATOM 463 C LYS A 30 11.940 4.349 -12.174 1.00 1.00 C ATOM 464 O LYS A 30 10.853 4.885 -12.151 1.00 1.00 O ATOM 465 CB LYS A 30 13.672 4.669 -10.388 1.00 1.00 C ATOM 466 CG LYS A 30 12.899 5.321 -9.227 1.00 1.00 C ATOM 467 CD LYS A 30 13.265 4.698 -7.846 1.00 1.00 C ATOM 468 CE LYS A 30 14.687 5.065 -7.367 1.00 1.00 C ATOM 469 NZ LYS A 30 15.727 4.372 -8.172 1.00 1.00 N ATOM 0 H LYS A 30 12.497 6.903 -10.838 1.00 1.00 H new ATOM 0 HA LYS A 30 13.919 4.960 -12.558 1.00 1.00 H new ATOM 0 HB2 LYS A 30 13.574 3.585 -10.320 1.00 1.00 H new ATOM 0 HB3 LYS A 30 14.732 4.900 -10.288 1.00 1.00 H new ATOM 0 HG2 LYS A 30 13.111 6.390 -9.208 1.00 1.00 H new ATOM 0 HG3 LYS A 30 11.828 5.211 -9.400 1.00 1.00 H new ATOM 0 HD2 LYS A 30 12.541 5.031 -7.102 1.00 1.00 H new ATOM 0 HD3 LYS A 30 13.180 3.613 -7.911 1.00 1.00 H new ATOM 0 HE2 LYS A 30 14.829 6.143 -7.437 1.00 1.00 H new ATOM 0 HE3 LYS A 30 14.799 4.797 -6.317 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 16.194 3.649 -7.588 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 15.283 3.918 -8.996 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 16.433 5.063 -8.496 1.00 1.00 H new ATOM 483 N ARG A 31 12.152 3.096 -12.508 1.00 1.00 N ATOM 484 CA ARG A 31 11.030 2.212 -12.909 1.00 1.00 C ATOM 485 C ARG A 31 10.762 1.256 -11.764 1.00 1.00 C ATOM 486 O ARG A 31 11.593 1.145 -10.886 1.00 1.00 O ATOM 487 CB ARG A 31 11.351 1.357 -14.137 1.00 1.00 C ATOM 488 CG ARG A 31 12.685 0.589 -13.940 1.00 1.00 C ATOM 489 CD ARG A 31 12.632 -0.692 -14.769 1.00 1.00 C ATOM 490 NE ARG A 31 13.892 -1.455 -14.537 1.00 1.00 N ATOM 491 CZ ARG A 31 13.860 -2.608 -13.923 1.00 1.00 C ATOM 492 NH1 ARG A 31 13.209 -3.602 -14.461 1.00 1.00 N ATOM 493 NH2 ARG A 31 14.486 -2.724 -12.785 1.00 1.00 N ATOM 0 H ARG A 31 13.070 2.651 -12.517 1.00 1.00 H new ATOM 0 HA ARG A 31 10.180 2.851 -13.149 1.00 1.00 H new ATOM 0 HB2 ARG A 31 10.541 0.649 -14.315 1.00 1.00 H new ATOM 0 HB3 ARG A 31 11.419 1.992 -15.020 1.00 1.00 H new ATOM 0 HG2 ARG A 31 13.527 1.207 -14.251 1.00 1.00 H new ATOM 0 HG3 ARG A 31 12.834 0.353 -12.886 1.00 1.00 H new ATOM 0 HD2 ARG A 31 11.767 -1.292 -14.485 1.00 1.00 H new ATOM 0 HD3 ARG A 31 12.522 -0.455 -15.827 1.00 1.00 H new ATOM 0 HE ARG A 31 14.782 -1.075 -14.859 1.00 1.00 H new ATOM 0 HH11 ARG A 31 12.731 -3.475 -15.353 1.00 1.00 H new ATOM 0 HH12 ARG A 31 13.178 -4.506 -13.990 1.00 1.00 H new ATOM 0 HH21 ARG A 31 14.985 -1.925 -12.394 1.00 1.00 H new ATOM 0 HH22 ARG A 31 14.476 -3.613 -12.286 1.00 1.00 H new ATOM 507 N CYS A 32 9.634 0.596 -11.852 1.00 1.00 N ATOM 508 CA CYS A 32 9.176 -0.378 -10.822 1.00 1.00 C ATOM 509 C CYS A 32 9.268 -1.893 -11.052 1.00 1.00 C ATOM 510 O CYS A 32 8.466 -2.470 -11.761 1.00 1.00 O ATOM 511 CB CYS A 32 7.718 -0.030 -10.502 1.00 1.00 C ATOM 512 SG CYS A 32 7.405 0.947 -9.011 1.00 1.00 S ATOM 0 H CYS A 32 8.986 0.701 -12.633 1.00 1.00 H new ATOM 0 HA CYS A 32 9.910 -0.245 -10.027 1.00 1.00 H new ATOM 0 HB2 CYS A 32 7.306 0.512 -11.353 1.00 1.00 H new ATOM 0 HB3 CYS A 32 7.160 -0.962 -10.418 1.00 1.00 H new ATOM 517 N ARG A 33 10.256 -2.497 -10.442 1.00 1.00 N ATOM 518 CA ARG A 33 10.449 -3.956 -10.564 1.00 1.00 C ATOM 519 C ARG A 33 10.323 -4.550 -9.121 1.00 1.00 C ATOM 520 O ARG A 33 10.093 -3.786 -8.182 1.00 1.00 O ATOM 521 CB ARG A 33 11.814 -4.088 -11.259 1.00 1.00 C ATOM 522 CG ARG A 33 12.936 -4.345 -10.289 1.00 1.00 C ATOM 523 CD ARG A 33 13.536 -5.650 -10.645 1.00 1.00 C ATOM 524 NE ARG A 33 12.514 -6.745 -10.721 1.00 1.00 N ATOM 525 CZ ARG A 33 12.653 -7.837 -10.013 1.00 1.00 C ATOM 526 NH1 ARG A 33 13.827 -8.403 -9.931 1.00 1.00 N ATOM 527 NH2 ARG A 33 11.610 -8.333 -9.407 1.00 1.00 N ATOM 528 OXT ARG A 33 10.460 -5.758 -9.036 1.00 1.00 O ATOM 0 H ARG A 33 10.944 -2.024 -9.856 1.00 1.00 H new ATOM 0 HA ARG A 33 9.724 -4.516 -11.155 1.00 1.00 H new ATOM 0 HB2 ARG A 33 11.771 -4.902 -11.983 1.00 1.00 H new ATOM 0 HB3 ARG A 33 12.023 -3.175 -11.817 1.00 1.00 H new ATOM 0 HG2 ARG A 33 13.681 -3.552 -10.345 1.00 1.00 H new ATOM 0 HG3 ARG A 33 12.563 -4.360 -9.265 1.00 1.00 H new ATOM 0 HD2 ARG A 33 14.045 -5.564 -11.605 1.00 1.00 H new ATOM 0 HD3 ARG A 33 14.293 -5.913 -9.906 1.00 1.00 H new ATOM 0 HE ARG A 33 11.703 -6.638 -11.330 1.00 1.00 H new ATOM 0 HH11 ARG A 33 14.625 -7.994 -10.416 1.00 1.00 H new ATOM 0 HH12 ARG A 33 13.946 -9.254 -9.382 1.00 1.00 H new ATOM 0 HH21 ARG A 33 10.705 -7.871 -9.489 1.00 1.00 H new ATOM 0 HH22 ARG A 33 11.700 -9.183 -8.851 1.00 1.00 H new