USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 277 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 Set 1.1: A 26 THR OG1 : rot 180:sc= -0.172 USER MOD Set 1.2: A 27 ASN : amide:sc= -2.73 K(o=-2.9,f=-4.7!) USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.786 (180deg=-1.04!) USER MOD Single : A 6 HIS : no HD1:sc= -3.45! C(o=-3.5!,f=-5.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -140:sc= -4.36! (180deg=-8.61!) USER MOD Single : A 13 ASN : amide:sc= -1.66 K(o=-1.7,f=-3.8!) USER MOD Single : A 14 LYS NZ :NH3+ 145:sc= -2.72! (180deg=-4.63!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -107:sc= -2.53! (180deg=-5.54!) 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 30 LYS NZ :NH3+ -118:sc= 0.0093 (180deg=-1.41) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.950 -0.763 1.226 1.00 1.00 N ATOM 2 CA GLY A 1 2.170 -0.535 -0.230 1.00 1.00 C ATOM 3 C GLY A 1 2.682 0.870 -0.519 1.00 1.00 C ATOM 4 O GLY A 1 3.505 1.095 -1.384 1.00 1.00 O ATOM 0 H1 GLY A 1 2.185 -1.748 1.463 1.00 1.00 H new ATOM 0 H2 GLY A 1 2.558 -0.121 1.774 1.00 1.00 H new ATOM 0 H3 GLY A 1 0.953 -0.579 1.459 1.00 1.00 H new ATOM 0 HA2 GLY A 1 2.886 -1.266 -0.607 1.00 1.00 H new ATOM 0 HA3 GLY A 1 1.236 -0.698 -0.767 1.00 1.00 H new ATOM 10 N ASP A 2 2.139 1.758 0.256 1.00 1.00 N ATOM 11 CA ASP A 2 2.450 3.203 0.189 1.00 1.00 C ATOM 12 C ASP A 2 3.066 3.723 1.501 1.00 1.00 C ATOM 13 O ASP A 2 2.432 4.426 2.265 1.00 1.00 O ATOM 14 CB ASP A 2 1.170 3.951 -0.130 1.00 1.00 C ATOM 15 CG ASP A 2 0.524 3.477 -1.451 1.00 1.00 C ATOM 16 OD1 ASP A 2 0.071 2.343 -1.480 1.00 1.00 O ATOM 17 OD2 ASP A 2 0.519 4.284 -2.365 1.00 1.00 O ATOM 0 H ASP A 2 1.453 1.523 0.973 1.00 1.00 H new ATOM 0 HA ASP A 2 3.193 3.368 -0.591 1.00 1.00 H new ATOM 0 HB2 ASP A 2 0.461 3.817 0.687 1.00 1.00 H new ATOM 0 HB3 ASP A 2 1.383 5.018 -0.195 1.00 1.00 H new ATOM 22 N CYS A 3 4.305 3.361 1.716 1.00 1.00 N ATOM 23 CA CYS A 3 5.033 3.789 2.953 1.00 1.00 C ATOM 24 C CYS A 3 5.576 5.215 2.813 1.00 1.00 C ATOM 25 O CYS A 3 6.770 5.444 2.766 1.00 1.00 O ATOM 26 CB CYS A 3 6.186 2.806 3.204 1.00 1.00 C ATOM 27 SG CYS A 3 5.791 1.113 3.704 1.00 1.00 S ATOM 0 H CYS A 3 4.851 2.780 1.080 1.00 1.00 H new ATOM 0 HA CYS A 3 4.341 3.784 3.795 1.00 1.00 H new ATOM 0 HB2 CYS A 3 6.778 2.751 2.291 1.00 1.00 H new ATOM 0 HB3 CYS A 3 6.826 3.237 3.974 1.00 1.00 H new ATOM 32 N LEU A 4 4.654 6.143 2.748 1.00 1.00 N ATOM 33 CA LEU A 4 5.055 7.580 2.614 1.00 1.00 C ATOM 34 C LEU A 4 5.686 8.051 3.957 1.00 1.00 C ATOM 35 O LEU A 4 5.671 7.299 4.912 1.00 1.00 O ATOM 36 CB LEU A 4 3.777 8.406 2.250 1.00 1.00 C ATOM 37 CG LEU A 4 2.828 8.680 3.452 1.00 1.00 C ATOM 38 CD1 LEU A 4 1.620 9.491 2.945 1.00 1.00 C ATOM 39 CD2 LEU A 4 2.322 7.373 4.082 1.00 1.00 C ATOM 0 H LEU A 4 3.649 5.972 2.781 1.00 1.00 H new ATOM 0 HA LEU A 4 5.797 7.721 1.828 1.00 1.00 H new ATOM 0 HB2 LEU A 4 4.085 9.359 1.821 1.00 1.00 H new ATOM 0 HB3 LEU A 4 3.222 7.873 1.478 1.00 1.00 H new ATOM 0 HG LEU A 4 3.382 9.230 4.213 1.00 1.00 H new ATOM 0 HD11 LEU A 4 0.943 9.693 3.775 1.00 1.00 H new ATOM 0 HD12 LEU A 4 1.966 10.434 2.522 1.00 1.00 H new ATOM 0 HD13 LEU A 4 1.095 8.921 2.179 1.00 1.00 H new ATOM 0 HD21 LEU A 4 1.662 7.604 4.918 1.00 1.00 H new ATOM 0 HD22 LEU A 4 1.774 6.797 3.336 1.00 1.00 H new ATOM 0 HD23 LEU A 4 3.170 6.789 4.440 1.00 1.00 H new ATOM 51 N PRO A 5 6.226 9.251 4.010 1.00 1.00 N ATOM 52 CA PRO A 5 6.529 9.984 5.284 1.00 1.00 C ATOM 53 C PRO A 5 5.402 9.982 6.350 1.00 1.00 C ATOM 54 O PRO A 5 4.535 9.131 6.338 1.00 1.00 O ATOM 55 CB PRO A 5 6.923 11.407 4.786 1.00 1.00 C ATOM 56 CG PRO A 5 6.316 11.477 3.364 1.00 1.00 C ATOM 57 CD PRO A 5 6.608 10.078 2.830 1.00 1.00 C ATOM 0 HA PRO A 5 7.320 9.488 5.847 1.00 1.00 H new ATOM 0 HB2 PRO A 5 6.518 12.185 5.433 1.00 1.00 H new ATOM 0 HB3 PRO A 5 8.005 11.540 4.767 1.00 1.00 H new ATOM 0 HG2 PRO A 5 5.248 11.691 3.386 1.00 1.00 H new ATOM 0 HG3 PRO A 5 6.784 12.252 2.757 1.00 1.00 H new ATOM 0 HD2 PRO A 5 6.015 9.839 1.947 1.00 1.00 H new ATOM 0 HD3 PRO A 5 7.655 9.949 2.555 1.00 1.00 H new ATOM 65 N HIS A 6 5.493 10.943 7.241 1.00 1.00 N ATOM 66 CA HIS A 6 4.534 11.184 8.381 1.00 1.00 C ATOM 67 C HIS A 6 3.031 10.977 8.037 1.00 1.00 C ATOM 68 O HIS A 6 2.692 10.636 6.924 1.00 1.00 O ATOM 69 CB HIS A 6 4.848 12.640 8.862 1.00 1.00 C ATOM 70 CG HIS A 6 3.904 13.159 9.958 1.00 1.00 C ATOM 71 ND1 HIS A 6 2.722 13.642 9.752 1.00 1.00 N ATOM 72 CD2 HIS A 6 4.064 13.229 11.331 1.00 1.00 C ATOM 73 CE1 HIS A 6 2.185 13.985 10.878 1.00 1.00 C ATOM 74 NE2 HIS A 6 2.985 13.746 11.888 1.00 1.00 N ATOM 0 H HIS A 6 6.253 11.623 7.222 1.00 1.00 H new ATOM 0 HA HIS A 6 4.686 10.440 9.163 1.00 1.00 H new ATOM 0 HB2 HIS A 6 5.872 12.675 9.234 1.00 1.00 H new ATOM 0 HB3 HIS A 6 4.797 13.312 8.006 1.00 1.00 H new ATOM 0 HD2 HIS A 6 4.944 12.907 11.868 1.00 1.00 H new ATOM 0 HE1 HIS A 6 1.199 14.415 10.974 1.00 1.00 H new ATOM 0 HE2 HIS A 6 2.813 13.920 12.878 1.00 1.00 H new ATOM 82 N LEU A 7 2.183 11.190 9.016 1.00 1.00 N ATOM 83 CA LEU A 7 0.695 11.049 8.879 1.00 1.00 C ATOM 84 C LEU A 7 0.211 12.216 7.986 1.00 1.00 C ATOM 85 O LEU A 7 -0.414 13.161 8.427 1.00 1.00 O ATOM 86 CB LEU A 7 0.028 11.128 10.294 1.00 1.00 C ATOM 87 CG LEU A 7 0.907 10.553 11.435 1.00 1.00 C ATOM 88 CD1 LEU A 7 0.125 10.651 12.762 1.00 1.00 C ATOM 89 CD2 LEU A 7 1.286 9.079 11.184 1.00 1.00 C ATOM 0 H LEU A 7 2.478 11.470 9.951 1.00 1.00 H new ATOM 0 HA LEU A 7 0.426 10.091 8.434 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -0.205 12.169 10.518 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -0.918 10.587 10.270 1.00 1.00 H new ATOM 0 HG LEU A 7 1.829 11.133 11.478 1.00 1.00 H new ATOM 0 HD11 LEU A 7 0.733 10.250 13.573 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -0.112 11.695 12.968 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -0.799 10.078 12.683 1.00 1.00 H new ATOM 0 HD21 LEU A 7 1.902 8.716 12.007 1.00 1.00 H new ATOM 0 HD22 LEU A 7 0.380 8.477 11.116 1.00 1.00 H new ATOM 0 HD23 LEU A 7 1.845 9.001 10.251 1.00 1.00 H new ATOM 101 N LYS A 8 0.540 12.087 6.729 1.00 1.00 N ATOM 102 CA LYS A 8 0.188 13.089 5.685 1.00 1.00 C ATOM 103 C LYS A 8 -1.306 13.049 5.410 1.00 1.00 C ATOM 104 O LYS A 8 -1.976 12.101 5.779 1.00 1.00 O ATOM 105 CB LYS A 8 0.962 12.751 4.414 1.00 1.00 C ATOM 106 CG LYS A 8 2.495 12.764 4.694 1.00 1.00 C ATOM 107 CD LYS A 8 3.164 13.924 3.942 1.00 1.00 C ATOM 108 CE LYS A 8 3.100 13.668 2.426 1.00 1.00 C ATOM 109 NZ LYS A 8 3.649 14.848 1.708 1.00 1.00 N ATOM 0 H LYS A 8 1.063 11.289 6.369 1.00 1.00 H new ATOM 0 HA LYS A 8 0.449 14.091 6.025 1.00 1.00 H new ATOM 0 HB2 LYS A 8 0.661 11.770 4.047 1.00 1.00 H new ATOM 0 HB3 LYS A 8 0.722 13.471 3.632 1.00 1.00 H new ATOM 0 HG2 LYS A 8 2.675 12.863 5.764 1.00 1.00 H new ATOM 0 HG3 LYS A 8 2.936 11.817 4.383 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.664 14.862 4.183 1.00 1.00 H new ATOM 0 HD3 LYS A 8 4.202 14.025 4.260 1.00 1.00 H new ATOM 0 HE2 LYS A 8 3.670 12.775 2.171 1.00 1.00 H new ATOM 0 HE3 LYS A 8 2.070 13.487 2.119 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 3.608 14.680 0.682 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 3.087 15.690 1.944 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 4.637 15.000 1.995 1.00 1.00 H new ATOM 123 N LEU A 9 -1.772 14.083 4.759 1.00 1.00 N ATOM 124 CA LEU A 9 -3.191 14.180 4.420 1.00 1.00 C ATOM 125 C LEU A 9 -3.494 13.147 3.342 1.00 1.00 C ATOM 126 O LEU A 9 -2.724 12.930 2.425 1.00 1.00 O ATOM 127 CB LEU A 9 -3.474 15.599 3.930 1.00 1.00 C ATOM 128 CG LEU A 9 -2.401 16.174 2.947 1.00 1.00 C ATOM 129 CD1 LEU A 9 -3.106 17.111 1.938 1.00 1.00 C ATOM 130 CD2 LEU A 9 -1.384 17.053 3.729 1.00 1.00 C ATOM 0 H LEU A 9 -1.204 14.871 4.449 1.00 1.00 H new ATOM 0 HA LEU A 9 -3.826 13.980 5.283 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -4.445 15.612 3.435 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -3.548 16.260 4.794 1.00 1.00 H new ATOM 0 HG LEU A 9 -1.897 15.344 2.452 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -2.370 17.520 1.246 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -3.855 16.548 1.381 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -3.590 17.926 2.476 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -0.640 17.450 3.039 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -1.910 17.878 4.209 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -0.888 16.448 4.488 1.00 1.00 H new ATOM 142 N CYS A 10 -4.633 12.547 3.522 1.00 1.00 N ATOM 143 CA CYS A 10 -5.139 11.507 2.618 1.00 1.00 C ATOM 144 C CYS A 10 -6.656 11.524 2.398 1.00 1.00 C ATOM 145 O CYS A 10 -7.381 12.275 3.021 1.00 1.00 O ATOM 146 CB CYS A 10 -4.672 10.148 3.195 1.00 1.00 C ATOM 147 SG CYS A 10 -5.568 8.670 2.679 1.00 1.00 S ATOM 0 H CYS A 10 -5.257 12.754 4.302 1.00 1.00 H new ATOM 0 HA CYS A 10 -4.735 11.693 1.623 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -3.623 10.014 2.932 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -4.723 10.209 4.282 1.00 1.00 H new ATOM 152 N LYS A 11 -7.067 10.671 1.491 1.00 1.00 N ATOM 153 CA LYS A 11 -8.504 10.520 1.129 1.00 1.00 C ATOM 154 C LYS A 11 -8.849 9.022 1.292 1.00 1.00 C ATOM 155 O LYS A 11 -9.856 8.716 1.901 1.00 1.00 O ATOM 156 CB LYS A 11 -8.684 11.028 -0.299 1.00 1.00 C ATOM 157 CG LYS A 11 -10.176 11.427 -0.533 1.00 1.00 C ATOM 158 CD LYS A 11 -10.839 10.666 -1.699 1.00 1.00 C ATOM 159 CE LYS A 11 -10.783 9.156 -1.441 1.00 1.00 C ATOM 160 NZ LYS A 11 -9.527 8.586 -2.005 1.00 1.00 N ATOM 0 H LYS A 11 -6.441 10.055 0.972 1.00 1.00 H new ATOM 0 HA LYS A 11 -9.177 11.097 1.763 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -8.036 11.887 -0.474 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -8.388 10.256 -1.010 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -10.741 11.241 0.380 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -10.231 12.498 -0.730 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -11.875 10.986 -1.810 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -10.331 10.902 -2.634 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -10.831 8.960 -0.370 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -11.647 8.670 -1.893 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -9.730 7.666 -2.446 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -9.142 9.235 -2.721 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -8.831 8.458 -1.243 1.00 1.00 H new ATOM 174 N GLU A 12 -8.032 8.134 0.761 1.00 1.00 N ATOM 175 CA GLU A 12 -8.312 6.657 0.896 1.00 1.00 C ATOM 176 C GLU A 12 -7.147 5.911 1.576 1.00 1.00 C ATOM 177 O GLU A 12 -6.005 6.311 1.505 1.00 1.00 O ATOM 178 CB GLU A 12 -8.560 6.023 -0.493 1.00 1.00 C ATOM 179 CG GLU A 12 -7.352 6.247 -1.406 1.00 1.00 C ATOM 180 CD GLU A 12 -7.620 5.649 -2.797 1.00 1.00 C ATOM 181 OE1 GLU A 12 -8.494 6.182 -3.462 1.00 1.00 O ATOM 182 OE2 GLU A 12 -6.937 4.689 -3.119 1.00 1.00 O ATOM 0 H GLU A 12 -7.185 8.366 0.241 1.00 1.00 H new ATOM 0 HA GLU A 12 -9.202 6.560 1.518 1.00 1.00 H new ATOM 0 HB2 GLU A 12 -8.748 4.955 -0.384 1.00 1.00 H new ATOM 0 HB3 GLU A 12 -9.451 6.459 -0.945 1.00 1.00 H new ATOM 0 HG2 GLU A 12 -7.146 7.314 -1.494 1.00 1.00 H new ATOM 0 HG3 GLU A 12 -6.466 5.787 -0.969 1.00 1.00 H new ATOM 189 N ASN A 13 -7.499 4.829 2.215 1.00 1.00 N ATOM 190 CA ASN A 13 -6.534 3.953 2.949 1.00 1.00 C ATOM 191 C ASN A 13 -5.205 3.695 2.215 1.00 1.00 C ATOM 192 O ASN A 13 -4.144 3.920 2.764 1.00 1.00 O ATOM 193 CB ASN A 13 -7.285 2.629 3.259 1.00 1.00 C ATOM 194 CG ASN A 13 -7.726 1.899 1.981 1.00 1.00 C ATOM 195 OD1 ASN A 13 -6.963 1.191 1.353 1.00 1.00 O ATOM 196 ND2 ASN A 13 -8.952 2.050 1.564 1.00 1.00 N ATOM 0 H ASN A 13 -8.463 4.500 2.261 1.00 1.00 H new ATOM 0 HA ASN A 13 -6.220 4.467 3.857 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -6.639 1.975 3.844 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -8.160 2.845 3.873 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -9.265 1.576 0.717 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -9.599 2.642 2.085 1.00 1.00 H new ATOM 203 N LYS A 14 -5.318 3.249 0.988 1.00 1.00 N ATOM 204 CA LYS A 14 -4.134 2.933 0.126 1.00 1.00 C ATOM 205 C LYS A 14 -2.987 3.920 0.286 1.00 1.00 C ATOM 206 O LYS A 14 -1.837 3.536 0.246 1.00 1.00 O ATOM 207 CB LYS A 14 -4.566 2.921 -1.355 1.00 1.00 C ATOM 208 CG LYS A 14 -5.567 1.779 -1.652 1.00 1.00 C ATOM 209 CD LYS A 14 -4.990 0.356 -1.367 1.00 1.00 C ATOM 210 CE LYS A 14 -3.749 0.028 -2.241 1.00 1.00 C ATOM 211 NZ LYS A 14 -2.538 0.780 -1.796 1.00 1.00 N ATOM 0 H LYS A 14 -6.215 3.085 0.532 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.771 1.956 0.446 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -5.021 3.878 -1.609 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -3.687 2.808 -1.989 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -6.463 1.926 -1.050 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -5.872 1.836 -2.697 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -4.718 0.283 -0.314 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -5.765 -0.389 -1.549 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -3.548 -1.042 -2.198 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -3.964 0.270 -3.282 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -1.693 0.188 -1.929 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -2.443 1.649 -2.359 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -2.633 1.027 -0.790 1.00 1.00 H new ATOM 225 N ASP A 15 -3.363 5.158 0.462 1.00 1.00 N ATOM 226 CA ASP A 15 -2.366 6.268 0.635 1.00 1.00 C ATOM 227 C ASP A 15 -1.178 5.924 1.540 1.00 1.00 C ATOM 228 O ASP A 15 -0.054 6.305 1.279 1.00 1.00 O ATOM 229 CB ASP A 15 -3.080 7.505 1.211 1.00 1.00 C ATOM 230 CG ASP A 15 -3.944 8.214 0.141 1.00 1.00 C ATOM 231 OD1 ASP A 15 -4.706 7.530 -0.522 1.00 1.00 O ATOM 232 OD2 ASP A 15 -3.795 9.422 0.049 1.00 1.00 O ATOM 0 H ASP A 15 -4.337 5.458 0.495 1.00 1.00 H new ATOM 0 HA ASP A 15 -1.955 6.455 -0.357 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -3.710 7.205 2.048 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -2.340 8.203 1.603 1.00 1.00 H new ATOM 237 N CYS A 16 -1.493 5.211 2.586 1.00 1.00 N ATOM 238 CA CYS A 16 -0.521 4.770 3.599 1.00 1.00 C ATOM 239 C CYS A 16 -0.216 3.269 3.525 1.00 1.00 C ATOM 240 O CYS A 16 -1.083 2.503 3.161 1.00 1.00 O ATOM 241 CB CYS A 16 -1.177 5.129 4.866 1.00 1.00 C ATOM 242 SG CYS A 16 -2.291 6.560 4.884 1.00 1.00 S ATOM 0 H CYS A 16 -2.446 4.904 2.779 1.00 1.00 H new ATOM 0 HA CYS A 16 0.454 5.238 3.465 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -1.745 4.262 5.203 1.00 1.00 H new ATOM 0 HB3 CYS A 16 -0.396 5.306 5.606 1.00 1.00 H new ATOM 247 N CYS A 17 0.989 2.878 3.878 1.00 1.00 N ATOM 248 CA CYS A 17 1.349 1.434 3.845 1.00 1.00 C ATOM 249 C CYS A 17 0.456 0.794 4.909 1.00 1.00 C ATOM 250 O CYS A 17 -0.151 -0.238 4.702 1.00 1.00 O ATOM 251 CB CYS A 17 2.830 1.221 4.218 1.00 1.00 C ATOM 252 SG CYS A 17 3.976 0.760 2.896 1.00 1.00 S ATOM 0 H CYS A 17 1.734 3.502 4.187 1.00 1.00 H new ATOM 0 HA CYS A 17 1.210 1.006 2.852 1.00 1.00 H new ATOM 0 HB2 CYS A 17 3.196 2.141 4.673 1.00 1.00 H new ATOM 0 HB3 CYS A 17 2.874 0.447 4.984 1.00 1.00 H new ATOM 257 N SER A 18 0.429 1.473 6.030 1.00 1.00 N ATOM 258 CA SER A 18 -0.370 1.062 7.199 1.00 1.00 C ATOM 259 C SER A 18 -1.870 1.266 6.897 1.00 1.00 C ATOM 260 O SER A 18 -2.706 0.951 7.722 1.00 1.00 O ATOM 261 CB SER A 18 0.081 1.916 8.388 1.00 1.00 C ATOM 262 OG SER A 18 1.440 1.559 8.605 1.00 1.00 O ATOM 0 H SER A 18 0.957 2.333 6.175 1.00 1.00 H new ATOM 0 HA SER A 18 -0.223 0.007 7.430 1.00 1.00 H new ATOM 0 HB2 SER A 18 -0.017 2.979 8.170 1.00 1.00 H new ATOM 0 HB3 SER A 18 -0.526 1.714 9.271 1.00 1.00 H new ATOM 0 HG SER A 18 1.797 2.074 9.358 1.00 1.00 H new ATOM 268 N LYS A 19 -2.148 1.784 5.719 1.00 1.00 N ATOM 269 CA LYS A 19 -3.536 2.054 5.243 1.00 1.00 C ATOM 270 C LYS A 19 -4.593 2.456 6.292 1.00 1.00 C ATOM 271 O LYS A 19 -5.718 1.993 6.246 1.00 1.00 O ATOM 272 CB LYS A 19 -3.999 0.791 4.484 1.00 1.00 C ATOM 273 CG LYS A 19 -3.144 0.589 3.216 1.00 1.00 C ATOM 274 CD LYS A 19 -3.696 -0.532 2.323 1.00 1.00 C ATOM 275 CE LYS A 19 -3.681 -1.905 3.027 1.00 1.00 C ATOM 276 NZ LYS A 19 -4.732 -1.972 4.082 1.00 1.00 N ATOM 0 H LYS A 19 -1.429 2.040 5.042 1.00 1.00 H new ATOM 0 HA LYS A 19 -3.470 2.950 4.626 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -3.915 -0.082 5.131 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -5.050 0.886 4.212 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -3.109 1.520 2.650 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -2.119 0.352 3.503 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -4.717 -0.289 2.028 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -3.105 -0.589 1.409 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -3.844 -2.696 2.295 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -2.701 -2.080 3.472 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -4.286 -1.926 5.020 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -5.387 -1.172 3.971 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -5.258 -2.865 3.992 1.00 1.00 H new ATOM 290 N LYS A 20 -4.206 3.310 7.211 1.00 1.00 N ATOM 291 CA LYS A 20 -5.176 3.762 8.255 1.00 1.00 C ATOM 292 C LYS A 20 -5.168 5.281 8.046 1.00 1.00 C ATOM 293 O LYS A 20 -4.512 6.052 8.718 1.00 1.00 O ATOM 294 CB LYS A 20 -4.676 3.347 9.672 1.00 1.00 C ATOM 295 CG LYS A 20 -5.786 3.494 10.745 1.00 1.00 C ATOM 296 CD LYS A 20 -6.984 2.542 10.471 1.00 1.00 C ATOM 297 CE LYS A 20 -8.174 3.321 9.876 1.00 1.00 C ATOM 298 NZ LYS A 20 -9.277 2.380 9.532 1.00 1.00 N ATOM 0 H LYS A 20 -3.270 3.709 7.282 1.00 1.00 H new ATOM 0 HA LYS A 20 -6.174 3.330 8.179 1.00 1.00 H new ATOM 0 HB2 LYS A 20 -4.331 2.313 9.646 1.00 1.00 H new ATOM 0 HB3 LYS A 20 -3.820 3.962 9.949 1.00 1.00 H new ATOM 0 HG2 LYS A 20 -5.370 3.281 11.730 1.00 1.00 H new ATOM 0 HG3 LYS A 20 -6.138 4.525 10.764 1.00 1.00 H new ATOM 0 HD2 LYS A 20 -6.679 1.754 9.783 1.00 1.00 H new ATOM 0 HD3 LYS A 20 -7.288 2.056 11.398 1.00 1.00 H new ATOM 0 HE2 LYS A 20 -8.528 4.063 10.591 1.00 1.00 H new ATOM 0 HE3 LYS A 20 -7.856 3.863 8.985 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 -10.075 2.913 9.132 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 -8.938 1.688 8.834 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 -9.589 1.882 10.390 1.00 1.00 H new ATOM 312 N CYS A 21 -5.944 5.620 7.052 1.00 1.00 N ATOM 313 CA CYS A 21 -6.156 7.022 6.584 1.00 1.00 C ATOM 314 C CYS A 21 -7.380 7.546 7.339 1.00 1.00 C ATOM 315 O CYS A 21 -8.479 7.153 7.005 1.00 1.00 O ATOM 316 CB CYS A 21 -6.389 6.946 5.062 1.00 1.00 C ATOM 317 SG CYS A 21 -6.952 8.384 4.120 1.00 1.00 S ATOM 0 H CYS A 21 -6.473 4.935 6.512 1.00 1.00 H new ATOM 0 HA CYS A 21 -5.317 7.692 6.771 1.00 1.00 H new ATOM 0 HB2 CYS A 21 -5.450 6.621 4.613 1.00 1.00 H new ATOM 0 HB3 CYS A 21 -7.115 6.151 4.892 1.00 1.00 H new ATOM 322 N LYS A 22 -7.180 8.393 8.329 1.00 1.00 N ATOM 323 CA LYS A 22 -8.383 8.920 9.089 1.00 1.00 C ATOM 324 C LYS A 22 -8.411 10.418 9.401 1.00 1.00 C ATOM 325 O LYS A 22 -7.411 11.010 9.747 1.00 1.00 O ATOM 326 CB LYS A 22 -8.525 8.213 10.439 1.00 1.00 C ATOM 327 CG LYS A 22 -8.772 6.692 10.299 1.00 1.00 C ATOM 328 CD LYS A 22 -10.141 6.379 9.627 1.00 1.00 C ATOM 329 CE LYS A 22 -11.309 6.994 10.426 1.00 1.00 C ATOM 330 NZ LYS A 22 -12.606 6.589 9.813 1.00 1.00 N ATOM 0 H LYS A 22 -6.272 8.736 8.641 1.00 1.00 H new ATOM 0 HA LYS A 22 -9.196 8.718 8.391 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -7.621 8.377 11.026 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -9.350 8.661 10.993 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -7.970 6.248 9.710 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -8.738 6.228 11.285 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -10.147 6.770 8.610 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -10.275 5.300 9.555 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -11.267 6.662 11.463 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -11.224 8.081 10.435 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -13.391 7.005 10.354 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -12.646 6.926 8.830 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -12.688 5.552 9.827 1.00 1.00 H new ATOM 344 N ARG A 23 -9.593 10.964 9.276 1.00 1.00 N ATOM 345 CA ARG A 23 -9.861 12.403 9.534 1.00 1.00 C ATOM 346 C ARG A 23 -10.923 12.505 10.637 1.00 1.00 C ATOM 347 O ARG A 23 -12.026 12.012 10.494 1.00 1.00 O ATOM 348 CB ARG A 23 -10.370 13.088 8.227 1.00 1.00 C ATOM 349 CG ARG A 23 -11.040 14.444 8.521 1.00 1.00 C ATOM 350 CD ARG A 23 -10.153 15.416 9.351 1.00 1.00 C ATOM 351 NE ARG A 23 -8.762 15.420 8.814 1.00 1.00 N ATOM 352 CZ ARG A 23 -7.741 15.582 9.618 1.00 1.00 C ATOM 353 NH1 ARG A 23 -7.608 14.829 10.677 1.00 1.00 N ATOM 354 NH2 ARG A 23 -6.871 16.509 9.327 1.00 1.00 N ATOM 0 H ARG A 23 -10.420 10.440 8.991 1.00 1.00 H new ATOM 0 HA ARG A 23 -8.948 12.907 9.852 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -9.534 13.235 7.543 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -11.081 12.432 7.725 1.00 1.00 H new ATOM 0 HG2 ARG A 23 -11.301 14.922 7.577 1.00 1.00 H new ATOM 0 HG3 ARG A 23 -11.972 14.269 9.058 1.00 1.00 H new ATOM 0 HD2 ARG A 23 -10.569 16.423 9.314 1.00 1.00 H new ATOM 0 HD3 ARG A 23 -10.147 15.112 10.398 1.00 1.00 H new ATOM 0 HE ARG A 23 -8.605 15.296 7.814 1.00 1.00 H new ATOM 0 HH11 ARG A 23 -8.302 14.110 10.882 1.00 1.00 H new ATOM 0 HH12 ARG A 23 -6.810 14.960 11.299 1.00 1.00 H new ATOM 0 HH21 ARG A 23 -6.997 17.083 8.493 1.00 1.00 H new ATOM 0 HH22 ARG A 23 -6.065 16.660 9.933 1.00 1.00 H new ATOM 368 N ARG A 24 -10.529 13.150 11.701 1.00 1.00 N ATOM 369 CA ARG A 24 -11.418 13.364 12.884 1.00 1.00 C ATOM 370 C ARG A 24 -11.505 14.883 13.068 1.00 1.00 C ATOM 371 O ARG A 24 -11.279 15.458 14.115 1.00 1.00 O ATOM 372 CB ARG A 24 -10.778 12.617 14.114 1.00 1.00 C ATOM 373 CG ARG A 24 -9.418 13.189 14.651 1.00 1.00 C ATOM 374 CD ARG A 24 -8.342 13.385 13.562 1.00 1.00 C ATOM 375 NE ARG A 24 -8.213 12.133 12.749 1.00 1.00 N ATOM 376 CZ ARG A 24 -7.057 11.539 12.620 1.00 1.00 C ATOM 377 NH1 ARG A 24 -6.076 12.185 12.054 1.00 1.00 N ATOM 378 NH2 ARG A 24 -6.923 10.319 13.058 1.00 1.00 N ATOM 0 H ARG A 24 -9.597 13.551 11.804 1.00 1.00 H new ATOM 0 HA ARG A 24 -12.426 12.965 12.767 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -11.499 12.627 14.932 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -10.624 11.574 13.837 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -9.606 14.146 15.137 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -9.029 12.515 15.414 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -8.611 14.222 12.918 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -7.385 13.631 14.022 1.00 1.00 H new ATOM 0 HE ARG A 24 -9.036 11.741 12.292 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -6.218 13.138 11.721 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -5.166 11.737 11.945 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -7.714 9.844 13.493 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -6.028 9.839 12.966 1.00 1.00 H new ATOM 392 N GLY A 25 -11.858 15.450 11.948 1.00 1.00 N ATOM 393 CA GLY A 25 -12.036 16.897 11.749 1.00 1.00 C ATOM 394 C GLY A 25 -13.027 17.157 10.619 1.00 1.00 C ATOM 395 O GLY A 25 -13.793 16.296 10.229 1.00 1.00 O ATOM 0 H GLY A 25 -12.042 14.911 11.102 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -12.395 17.356 12.670 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -11.077 17.360 11.515 1.00 1.00 H new ATOM 399 N THR A 26 -12.956 18.367 10.138 1.00 1.00 N ATOM 400 CA THR A 26 -13.830 18.838 9.030 1.00 1.00 C ATOM 401 C THR A 26 -13.129 18.652 7.676 1.00 1.00 C ATOM 402 O THR A 26 -13.708 18.123 6.747 1.00 1.00 O ATOM 403 CB THR A 26 -14.172 20.334 9.257 1.00 1.00 C ATOM 404 OG1 THR A 26 -12.918 21.001 9.362 1.00 1.00 O ATOM 405 CG2 THR A 26 -14.868 20.551 10.617 1.00 1.00 C ATOM 0 H THR A 26 -12.304 19.072 10.481 1.00 1.00 H new ATOM 0 HA THR A 26 -14.748 18.251 9.019 1.00 1.00 H new ATOM 0 HB THR A 26 -14.818 20.687 8.453 1.00 1.00 H new ATOM 0 HG1 THR A 26 -13.068 21.959 9.506 1.00 1.00 H new ATOM 0 HG21 THR A 26 -15.094 21.610 10.745 1.00 1.00 H new ATOM 0 HG22 THR A 26 -15.793 19.976 10.648 1.00 1.00 H new ATOM 0 HG23 THR A 26 -14.209 20.221 11.420 1.00 1.00 H new ATOM 413 N ASN A 27 -11.901 19.096 7.615 1.00 1.00 N ATOM 414 CA ASN A 27 -11.091 18.981 6.361 1.00 1.00 C ATOM 415 C ASN A 27 -10.745 17.499 6.138 1.00 1.00 C ATOM 416 O ASN A 27 -10.025 16.918 6.924 1.00 1.00 O ATOM 417 CB ASN A 27 -9.805 19.840 6.519 1.00 1.00 C ATOM 418 CG ASN A 27 -8.977 19.402 7.742 1.00 1.00 C ATOM 419 OD1 ASN A 27 -9.436 19.419 8.867 1.00 1.00 O ATOM 420 ND2 ASN A 27 -7.750 19.001 7.562 1.00 1.00 N ATOM 0 H ASN A 27 -11.415 19.541 8.393 1.00 1.00 H new ATOM 0 HA ASN A 27 -11.647 19.345 5.497 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -9.197 19.755 5.618 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -10.079 20.890 6.621 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -7.187 18.706 8.360 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -7.352 18.982 6.623 1.00 1.00 H new ATOM 427 N ILE A 28 -11.272 16.940 5.074 1.00 1.00 N ATOM 428 CA ILE A 28 -11.035 15.496 4.720 1.00 1.00 C ATOM 429 C ILE A 28 -9.636 14.964 4.956 1.00 1.00 C ATOM 430 O ILE A 28 -9.524 13.781 5.167 1.00 1.00 O ATOM 431 CB ILE A 28 -11.367 15.233 3.231 1.00 1.00 C ATOM 432 CG1 ILE A 28 -12.857 15.520 3.037 1.00 1.00 C ATOM 433 CG2 ILE A 28 -11.053 13.726 2.855 1.00 1.00 C ATOM 434 CD1 ILE A 28 -13.250 15.332 1.555 1.00 1.00 C ATOM 0 H ILE A 28 -11.874 17.436 4.416 1.00 1.00 H new ATOM 0 HA ILE A 28 -11.698 14.969 5.406 1.00 1.00 H new ATOM 0 HB ILE A 28 -10.762 15.872 2.587 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -13.448 14.853 3.665 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -13.083 16.538 3.354 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -11.291 13.556 1.805 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -9.996 13.521 3.025 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -11.655 13.063 3.476 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -14.313 15.539 1.431 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -12.672 16.018 0.935 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -13.043 14.306 1.251 1.00 1.00 H new ATOM 446 N GLU A 29 -8.653 15.819 4.917 1.00 1.00 N ATOM 447 CA GLU A 29 -7.218 15.430 5.124 1.00 1.00 C ATOM 448 C GLU A 29 -7.006 14.341 6.199 1.00 1.00 C ATOM 449 O GLU A 29 -6.592 14.594 7.313 1.00 1.00 O ATOM 450 CB GLU A 29 -6.442 16.696 5.509 1.00 1.00 C ATOM 451 CG GLU A 29 -6.536 17.739 4.374 1.00 1.00 C ATOM 452 CD GLU A 29 -5.718 18.984 4.762 1.00 1.00 C ATOM 453 OE1 GLU A 29 -4.507 18.840 4.841 1.00 1.00 O ATOM 454 OE2 GLU A 29 -6.349 20.010 4.960 1.00 1.00 O ATOM 0 H GLU A 29 -8.787 16.815 4.743 1.00 1.00 H new ATOM 0 HA GLU A 29 -6.858 14.993 4.193 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -6.845 17.113 6.432 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -5.398 16.448 5.701 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -6.158 17.316 3.443 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -7.577 18.012 4.200 1.00 1.00 H new ATOM 461 N LYS A 30 -7.300 13.134 5.787 1.00 1.00 N ATOM 462 CA LYS A 30 -7.178 11.935 6.658 1.00 1.00 C ATOM 463 C LYS A 30 -5.686 11.733 6.855 1.00 1.00 C ATOM 464 O LYS A 30 -4.935 11.713 5.905 1.00 1.00 O ATOM 465 CB LYS A 30 -7.860 10.746 5.914 1.00 1.00 C ATOM 466 CG LYS A 30 -9.409 10.840 6.016 1.00 1.00 C ATOM 467 CD LYS A 30 -10.139 10.146 4.837 1.00 1.00 C ATOM 468 CE LYS A 30 -10.220 8.625 5.023 1.00 1.00 C ATOM 469 NZ LYS A 30 -11.003 8.299 6.252 1.00 1.00 N ATOM 0 H LYS A 30 -7.632 12.928 4.845 1.00 1.00 H new ATOM 0 HA LYS A 30 -7.661 12.028 7.631 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -7.560 10.748 4.866 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -7.520 9.802 6.341 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -9.734 10.388 6.953 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -9.702 11.889 6.050 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -11.146 10.554 4.744 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -9.618 10.370 3.906 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -10.690 8.169 4.152 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -9.217 8.206 5.100 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -10.395 7.793 6.927 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -11.347 9.178 6.688 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -11.813 7.698 5.998 1.00 1.00 H new ATOM 483 N ARG A 31 -5.272 11.584 8.081 1.00 1.00 N ATOM 484 CA ARG A 31 -3.822 11.394 8.317 1.00 1.00 C ATOM 485 C ARG A 31 -3.469 9.941 8.055 1.00 1.00 C ATOM 486 O ARG A 31 -4.301 9.060 8.195 1.00 1.00 O ATOM 487 CB ARG A 31 -3.503 11.779 9.771 1.00 1.00 C ATOM 488 CG ARG A 31 -3.981 13.215 10.055 1.00 1.00 C ATOM 489 CD ARG A 31 -3.168 14.250 9.254 1.00 1.00 C ATOM 490 NE ARG A 31 -3.945 15.526 9.251 1.00 1.00 N ATOM 491 CZ ARG A 31 -3.444 16.612 9.774 1.00 1.00 C ATOM 492 NH1 ARG A 31 -2.384 17.147 9.233 1.00 1.00 N ATOM 493 NH2 ARG A 31 -4.025 17.123 10.823 1.00 1.00 N ATOM 0 H ARG A 31 -5.863 11.586 8.912 1.00 1.00 H new ATOM 0 HA ARG A 31 -3.235 12.024 7.649 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -3.990 11.083 10.455 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -2.430 11.703 9.949 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -5.037 13.305 9.801 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -3.891 13.426 11.121 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -2.187 14.399 9.705 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -3.000 13.901 8.235 1.00 1.00 H new ATOM 0 HE ARG A 31 -4.876 15.549 8.836 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -1.958 16.717 8.412 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -1.981 17.996 9.631 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -4.852 16.675 11.217 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -3.652 17.971 11.250 1.00 1.00 H new ATOM 507 N CYS A 32 -2.218 9.794 7.694 1.00 1.00 N ATOM 508 CA CYS A 32 -1.632 8.465 7.370 1.00 1.00 C ATOM 509 C CYS A 32 -0.955 7.695 8.504 1.00 1.00 C ATOM 510 O CYS A 32 0.240 7.774 8.719 1.00 1.00 O ATOM 511 CB CYS A 32 -0.612 8.640 6.217 1.00 1.00 C ATOM 512 SG CYS A 32 -1.202 8.231 4.558 1.00 1.00 S ATOM 0 H CYS A 32 -1.561 10.570 7.609 1.00 1.00 H new ATOM 0 HA CYS A 32 -2.495 7.852 7.107 1.00 1.00 H new ATOM 0 HB2 CYS A 32 -0.273 9.676 6.214 1.00 1.00 H new ATOM 0 HB3 CYS A 32 0.258 8.021 6.433 1.00 1.00 H new ATOM 517 N ARG A 33 -1.777 6.959 9.197 1.00 1.00 N ATOM 518 CA ARG A 33 -1.304 6.127 10.338 1.00 1.00 C ATOM 519 C ARG A 33 -1.556 4.633 10.010 1.00 1.00 C ATOM 520 O ARG A 33 -1.923 4.363 8.869 1.00 1.00 O ATOM 521 CB ARG A 33 -2.057 6.600 11.609 1.00 1.00 C ATOM 522 CG ARG A 33 -3.560 6.685 11.379 1.00 1.00 C ATOM 523 CD ARG A 33 -4.223 7.192 12.645 1.00 1.00 C ATOM 524 NE ARG A 33 -5.676 7.302 12.339 1.00 1.00 N ATOM 525 CZ ARG A 33 -6.568 6.664 13.050 1.00 1.00 C ATOM 526 NH1 ARG A 33 -6.429 5.382 13.250 1.00 1.00 N ATOM 527 NH2 ARG A 33 -7.576 7.332 13.538 1.00 1.00 N ATOM 528 OXT ARG A 33 -1.364 3.831 10.910 1.00 1.00 O ATOM 0 H ARG A 33 -2.779 6.898 9.016 1.00 1.00 H new ATOM 0 HA ARG A 33 -0.234 6.238 10.514 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -1.853 5.911 12.429 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -1.680 7.577 11.912 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -3.777 7.354 10.546 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -3.956 5.705 11.112 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -4.051 6.507 13.475 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -3.813 8.158 12.939 1.00 1.00 H new ATOM 0 HE ARG A 33 -5.981 7.886 11.560 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -5.630 4.888 12.853 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -7.119 4.874 13.803 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -7.657 8.333 13.362 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -8.283 6.853 14.096 1.00 1.00 H new TER 542 ARG A 33