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 13 ASN : amide:sc= -1.94 K(o=-6.9,f=-5.9!) USER MOD Set 1.2: A 19 LYS NZ :NH3+ 177:sc= -5! (180deg=-4.83!) USER MOD Single : A 1 GLY N :NH3+ 167:sc= 0 (180deg=-0.0998) USER MOD Single : A 6 HIS : no HD1:sc= -2.78 K(o=-2.8,f=-4.1) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -136:sc= -1.7 (180deg=-4.59!) USER MOD Single : A 18 SER OG : rot -21:sc= 0.358 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -133:sc= -1.41 (180deg=-3.75!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -121:sc= -5.06! (180deg=-7.53!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.135 -0.572 -1.245 1.00 1.00 N ATOM 2 CA GLY A 1 2.219 -0.198 -2.360 1.00 1.00 C ATOM 3 C GLY A 1 2.226 1.306 -2.554 1.00 1.00 C ATOM 4 O GLY A 1 1.220 1.988 -2.512 1.00 1.00 O ATOM 0 H1 GLY A 1 2.964 -1.561 -0.972 1.00 1.00 H new ATOM 0 H2 GLY A 1 4.122 -0.465 -1.555 1.00 1.00 H new ATOM 0 H3 GLY A 1 2.959 0.048 -0.429 1.00 1.00 H new ATOM 0 HA2 GLY A 1 2.531 -0.693 -3.280 1.00 1.00 H new ATOM 0 HA3 GLY A 1 1.207 -0.540 -2.141 1.00 1.00 H new ATOM 10 N ASP A 2 3.430 1.729 -2.762 1.00 1.00 N ATOM 11 CA ASP A 2 3.786 3.144 -2.989 1.00 1.00 C ATOM 12 C ASP A 2 4.391 3.298 -4.393 1.00 1.00 C ATOM 13 O ASP A 2 5.527 3.697 -4.549 1.00 1.00 O ATOM 14 CB ASP A 2 4.787 3.569 -1.929 1.00 1.00 C ATOM 15 CG ASP A 2 4.338 3.366 -0.465 1.00 1.00 C ATOM 16 OD1 ASP A 2 3.191 3.014 -0.232 1.00 1.00 O ATOM 17 OD2 ASP A 2 5.209 3.588 0.361 1.00 1.00 O ATOM 0 H ASP A 2 4.236 1.104 -2.785 1.00 1.00 H new ATOM 0 HA ASP A 2 2.900 3.775 -2.921 1.00 1.00 H new ATOM 0 HB2 ASP A 2 5.712 3.015 -2.086 1.00 1.00 H new ATOM 0 HB3 ASP A 2 5.018 4.624 -2.076 1.00 1.00 H new ATOM 22 N CYS A 3 3.619 2.987 -5.401 1.00 1.00 N ATOM 23 CA CYS A 3 4.153 3.108 -6.788 1.00 1.00 C ATOM 24 C CYS A 3 4.147 4.551 -7.304 1.00 1.00 C ATOM 25 O CYS A 3 3.331 4.939 -8.119 1.00 1.00 O ATOM 26 CB CYS A 3 3.314 2.218 -7.703 1.00 1.00 C ATOM 27 SG CYS A 3 3.302 0.438 -7.380 1.00 1.00 S ATOM 0 H CYS A 3 2.656 2.659 -5.326 1.00 1.00 H new ATOM 0 HA CYS A 3 5.196 2.790 -6.782 1.00 1.00 H new ATOM 0 HB2 CYS A 3 2.284 2.572 -7.660 1.00 1.00 H new ATOM 0 HB3 CYS A 3 3.661 2.369 -8.725 1.00 1.00 H new ATOM 32 N LEU A 4 5.084 5.308 -6.789 1.00 1.00 N ATOM 33 CA LEU A 4 5.201 6.740 -7.209 1.00 1.00 C ATOM 34 C LEU A 4 5.704 6.754 -8.672 1.00 1.00 C ATOM 35 O LEU A 4 6.465 5.882 -9.045 1.00 1.00 O ATOM 36 CB LEU A 4 6.224 7.482 -6.310 1.00 1.00 C ATOM 37 CG LEU A 4 5.630 7.882 -4.927 1.00 1.00 C ATOM 38 CD1 LEU A 4 5.292 6.653 -4.065 1.00 1.00 C ATOM 39 CD2 LEU A 4 6.650 8.765 -4.172 1.00 1.00 C ATOM 0 H LEU A 4 5.770 4.999 -6.100 1.00 1.00 H new ATOM 0 HA LEU A 4 4.236 7.239 -7.118 1.00 1.00 H new ATOM 0 HB2 LEU A 4 7.095 6.845 -6.156 1.00 1.00 H new ATOM 0 HB3 LEU A 4 6.571 8.378 -6.825 1.00 1.00 H new ATOM 0 HG LEU A 4 4.704 8.428 -5.108 1.00 1.00 H new ATOM 0 HD11 LEU A 4 4.881 6.980 -3.110 1.00 1.00 H new ATOM 0 HD12 LEU A 4 4.558 6.036 -4.583 1.00 1.00 H new ATOM 0 HD13 LEU A 4 6.197 6.071 -3.890 1.00 1.00 H new ATOM 0 HD21 LEU A 4 6.239 9.048 -3.203 1.00 1.00 H new ATOM 0 HD22 LEU A 4 7.575 8.208 -4.025 1.00 1.00 H new ATOM 0 HD23 LEU A 4 6.856 9.663 -4.755 1.00 1.00 H new ATOM 51 N PRO A 5 5.281 7.723 -9.459 1.00 1.00 N ATOM 52 CA PRO A 5 5.617 7.798 -10.914 1.00 1.00 C ATOM 53 C PRO A 5 7.135 7.828 -11.141 1.00 1.00 C ATOM 54 O PRO A 5 7.779 6.813 -11.324 1.00 1.00 O ATOM 55 CB PRO A 5 4.895 9.072 -11.389 1.00 1.00 C ATOM 56 CG PRO A 5 4.790 9.926 -10.093 1.00 1.00 C ATOM 57 CD PRO A 5 4.438 8.876 -9.033 1.00 1.00 C ATOM 0 HA PRO A 5 5.294 6.925 -11.480 1.00 1.00 H new ATOM 0 HB2 PRO A 5 5.458 9.588 -12.166 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.912 8.847 -11.804 1.00 1.00 H new ATOM 0 HG2 PRO A 5 5.727 10.435 -9.865 1.00 1.00 H new ATOM 0 HG3 PRO A 5 4.021 10.694 -10.174 1.00 1.00 H new ATOM 0 HD2 PRO A 5 4.684 9.213 -8.026 1.00 1.00 H new ATOM 0 HD3 PRO A 5 3.376 8.630 -9.037 1.00 1.00 H new ATOM 65 N HIS A 6 7.630 9.033 -11.113 1.00 1.00 N ATOM 66 CA HIS A 6 9.082 9.312 -11.302 1.00 1.00 C ATOM 67 C HIS A 6 9.883 8.831 -10.082 1.00 1.00 C ATOM 68 O HIS A 6 9.312 8.544 -9.049 1.00 1.00 O ATOM 69 CB HIS A 6 9.202 10.842 -11.525 1.00 1.00 C ATOM 70 CG HIS A 6 10.620 11.377 -11.289 1.00 1.00 C ATOM 71 ND1 HIS A 6 11.140 11.604 -10.127 1.00 1.00 N ATOM 72 CD2 HIS A 6 11.614 11.724 -12.181 1.00 1.00 C ATOM 73 CE1 HIS A 6 12.346 12.052 -10.269 1.00 1.00 C ATOM 74 NE2 HIS A 6 12.684 12.143 -11.532 1.00 1.00 N ATOM 0 H HIS A 6 7.065 9.869 -10.961 1.00 1.00 H new ATOM 0 HA HIS A 6 9.495 8.777 -12.157 1.00 1.00 H new ATOM 0 HB2 HIS A 6 8.896 11.079 -12.544 1.00 1.00 H new ATOM 0 HB3 HIS A 6 8.511 11.356 -10.857 1.00 1.00 H new ATOM 0 HD2 HIS A 6 11.529 11.662 -13.256 1.00 1.00 H new ATOM 0 HE1 HIS A 6 12.994 12.318 -9.447 1.00 1.00 H new ATOM 0 HE2 HIS A 6 13.570 12.464 -11.923 1.00 1.00 H new ATOM 82 N LEU A 7 11.178 8.753 -10.276 1.00 1.00 N ATOM 83 CA LEU A 7 12.133 8.318 -9.215 1.00 1.00 C ATOM 84 C LEU A 7 12.233 9.439 -8.159 1.00 1.00 C ATOM 85 O LEU A 7 13.214 10.145 -8.044 1.00 1.00 O ATOM 86 CB LEU A 7 13.519 7.982 -9.900 1.00 1.00 C ATOM 87 CG LEU A 7 14.203 9.108 -10.748 1.00 1.00 C ATOM 88 CD1 LEU A 7 15.705 8.748 -10.856 1.00 1.00 C ATOM 89 CD2 LEU A 7 13.690 9.119 -12.217 1.00 1.00 C ATOM 0 H LEU A 7 11.626 8.983 -11.163 1.00 1.00 H new ATOM 0 HA LEU A 7 11.797 7.418 -8.701 1.00 1.00 H new ATOM 0 HB2 LEU A 7 14.216 7.681 -9.118 1.00 1.00 H new ATOM 0 HB3 LEU A 7 13.373 7.117 -10.547 1.00 1.00 H new ATOM 0 HG LEU A 7 13.996 10.065 -10.269 1.00 1.00 H new ATOM 0 HD11 LEU A 7 16.221 9.510 -11.441 1.00 1.00 H new ATOM 0 HD12 LEU A 7 16.141 8.701 -9.858 1.00 1.00 H new ATOM 0 HD13 LEU A 7 15.813 7.780 -11.345 1.00 1.00 H new ATOM 0 HD21 LEU A 7 14.189 9.914 -12.771 1.00 1.00 H new ATOM 0 HD22 LEU A 7 13.907 8.159 -12.685 1.00 1.00 H new ATOM 0 HD23 LEU A 7 12.614 9.291 -12.225 1.00 1.00 H new ATOM 101 N LYS A 8 11.169 9.551 -7.405 1.00 1.00 N ATOM 102 CA LYS A 8 11.044 10.573 -6.322 1.00 1.00 C ATOM 103 C LYS A 8 12.060 10.330 -5.209 1.00 1.00 C ATOM 104 O LYS A 8 12.577 9.238 -5.072 1.00 1.00 O ATOM 105 CB LYS A 8 9.610 10.495 -5.766 1.00 1.00 C ATOM 106 CG LYS A 8 8.582 10.921 -6.851 1.00 1.00 C ATOM 107 CD LYS A 8 8.382 12.445 -6.837 1.00 1.00 C ATOM 108 CE LYS A 8 7.590 12.838 -5.572 1.00 1.00 C ATOM 109 NZ LYS A 8 7.429 14.313 -5.523 1.00 1.00 N ATOM 0 H LYS A 8 10.350 8.951 -7.501 1.00 1.00 H new ATOM 0 HA LYS A 8 11.246 11.564 -6.727 1.00 1.00 H new ATOM 0 HB2 LYS A 8 9.397 9.479 -5.434 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.516 11.142 -4.894 1.00 1.00 H new ATOM 0 HG2 LYS A 8 8.930 10.603 -7.834 1.00 1.00 H new ATOM 0 HG3 LYS A 8 7.629 10.422 -6.673 1.00 1.00 H new ATOM 0 HD2 LYS A 8 9.347 12.951 -6.849 1.00 1.00 H new ATOM 0 HD3 LYS A 8 7.845 12.762 -7.731 1.00 1.00 H new ATOM 0 HE2 LYS A 8 6.613 12.355 -5.578 1.00 1.00 H new ATOM 0 HE3 LYS A 8 8.112 12.489 -4.681 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 6.895 14.576 -4.670 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 8.366 14.764 -5.498 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 6.913 14.634 -6.367 1.00 1.00 H new ATOM 123 N LEU A 9 12.309 11.361 -4.441 1.00 1.00 N ATOM 124 CA LEU A 9 13.273 11.268 -3.329 1.00 1.00 C ATOM 125 C LEU A 9 12.762 10.403 -2.170 1.00 1.00 C ATOM 126 O LEU A 9 11.575 10.167 -2.039 1.00 1.00 O ATOM 127 CB LEU A 9 13.546 12.680 -2.888 1.00 1.00 C ATOM 128 CG LEU A 9 14.386 13.471 -3.938 1.00 1.00 C ATOM 129 CD1 LEU A 9 14.454 14.950 -3.502 1.00 1.00 C ATOM 130 CD2 LEU A 9 15.837 12.925 -4.004 1.00 1.00 C ATOM 0 H LEU A 9 11.871 12.276 -4.549 1.00 1.00 H new ATOM 0 HA LEU A 9 14.185 10.772 -3.663 1.00 1.00 H new ATOM 0 HB2 LEU A 9 12.601 13.195 -2.718 1.00 1.00 H new ATOM 0 HB3 LEU A 9 14.077 12.666 -1.936 1.00 1.00 H new ATOM 0 HG LEU A 9 13.914 13.365 -4.915 1.00 1.00 H new ATOM 0 HD11 LEU A 9 15.039 15.516 -4.227 1.00 1.00 H new ATOM 0 HD12 LEU A 9 13.446 15.360 -3.449 1.00 1.00 H new ATOM 0 HD13 LEU A 9 14.926 15.019 -2.522 1.00 1.00 H new ATOM 0 HD21 LEU A 9 16.405 13.491 -4.742 1.00 1.00 H new ATOM 0 HD22 LEU A 9 16.309 13.027 -3.027 1.00 1.00 H new ATOM 0 HD23 LEU A 9 15.817 11.873 -4.289 1.00 1.00 H new ATOM 142 N CYS A 10 13.695 9.958 -1.366 1.00 1.00 N ATOM 143 CA CYS A 10 13.376 9.107 -0.195 1.00 1.00 C ATOM 144 C CYS A 10 14.617 8.934 0.695 1.00 1.00 C ATOM 145 O CYS A 10 15.690 9.445 0.421 1.00 1.00 O ATOM 146 CB CYS A 10 12.910 7.695 -0.634 1.00 1.00 C ATOM 147 SG CYS A 10 14.163 6.388 -0.611 1.00 1.00 S ATOM 0 H CYS A 10 14.688 10.158 -1.482 1.00 1.00 H new ATOM 0 HA CYS A 10 12.576 9.605 0.353 1.00 1.00 H new ATOM 0 HB2 CYS A 10 12.087 7.391 0.013 1.00 1.00 H new ATOM 0 HB3 CYS A 10 12.510 7.767 -1.645 1.00 1.00 H new ATOM 152 N LYS A 11 14.380 8.188 1.743 1.00 1.00 N ATOM 153 CA LYS A 11 15.415 7.858 2.760 1.00 1.00 C ATOM 154 C LYS A 11 15.538 6.319 2.809 1.00 1.00 C ATOM 155 O LYS A 11 16.620 5.799 3.002 1.00 1.00 O ATOM 156 CB LYS A 11 14.967 8.479 4.115 1.00 1.00 C ATOM 157 CG LYS A 11 13.726 7.797 4.767 1.00 1.00 C ATOM 158 CD LYS A 11 14.102 7.411 6.212 1.00 1.00 C ATOM 159 CE LYS A 11 15.258 6.377 6.192 1.00 1.00 C ATOM 160 NZ LYS A 11 16.236 6.686 7.265 1.00 1.00 N ATOM 0 H LYS A 11 13.467 7.777 1.940 1.00 1.00 H new ATOM 0 HA LYS A 11 16.397 8.266 2.522 1.00 1.00 H new ATOM 0 HB2 LYS A 11 15.801 8.429 4.815 1.00 1.00 H new ATOM 0 HB3 LYS A 11 14.744 9.535 3.959 1.00 1.00 H new ATOM 0 HG2 LYS A 11 12.872 8.475 4.763 1.00 1.00 H new ATOM 0 HG3 LYS A 11 13.434 6.913 4.200 1.00 1.00 H new ATOM 0 HD2 LYS A 11 14.404 8.298 6.769 1.00 1.00 H new ATOM 0 HD3 LYS A 11 13.236 6.993 6.724 1.00 1.00 H new ATOM 0 HE2 LYS A 11 14.860 5.372 6.330 1.00 1.00 H new ATOM 0 HE3 LYS A 11 15.754 6.393 5.221 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 17.007 5.988 7.244 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 16.627 7.638 7.115 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 15.761 6.649 8.189 1.00 1.00 H new ATOM 174 N GLU A 12 14.422 5.647 2.630 1.00 1.00 N ATOM 175 CA GLU A 12 14.375 4.146 2.649 1.00 1.00 C ATOM 176 C GLU A 12 13.726 3.565 1.377 1.00 1.00 C ATOM 177 O GLU A 12 12.994 4.241 0.681 1.00 1.00 O ATOM 178 CB GLU A 12 13.583 3.707 3.893 1.00 1.00 C ATOM 179 CG GLU A 12 12.142 4.245 3.795 1.00 1.00 C ATOM 180 CD GLU A 12 11.398 4.020 5.123 1.00 1.00 C ATOM 181 OE1 GLU A 12 11.183 2.864 5.448 1.00 1.00 O ATOM 182 OE2 GLU A 12 11.086 5.025 5.741 1.00 1.00 O ATOM 0 H GLU A 12 13.517 6.089 2.467 1.00 1.00 H new ATOM 0 HA GLU A 12 15.396 3.765 2.682 1.00 1.00 H new ATOM 0 HB2 GLU A 12 13.573 2.620 3.967 1.00 1.00 H new ATOM 0 HB3 GLU A 12 14.064 4.084 4.796 1.00 1.00 H new ATOM 0 HG2 GLU A 12 12.159 5.308 3.555 1.00 1.00 H new ATOM 0 HG3 GLU A 12 11.613 3.744 2.984 1.00 1.00 H new ATOM 189 N ASN A 13 14.017 2.312 1.128 1.00 1.00 N ATOM 190 CA ASN A 13 13.471 1.593 -0.064 1.00 1.00 C ATOM 191 C ASN A 13 11.932 1.563 -0.064 1.00 1.00 C ATOM 192 O ASN A 13 11.298 1.904 -1.046 1.00 1.00 O ATOM 193 CB ASN A 13 14.036 0.153 -0.066 1.00 1.00 C ATOM 194 CG ASN A 13 13.639 -0.601 1.212 1.00 1.00 C ATOM 195 OD1 ASN A 13 14.039 -0.259 2.308 1.00 1.00 O ATOM 196 ND2 ASN A 13 12.849 -1.634 1.112 1.00 1.00 N ATOM 0 H ASN A 13 14.626 1.744 1.717 1.00 1.00 H new ATOM 0 HA ASN A 13 13.776 2.125 -0.965 1.00 1.00 H new ATOM 0 HB2 ASN A 13 13.665 -0.385 -0.939 1.00 1.00 H new ATOM 0 HB3 ASN A 13 15.122 0.186 -0.149 1.00 1.00 H new ATOM 0 HD21 ASN A 13 12.572 -2.147 1.949 1.00 1.00 H new ATOM 0 HD22 ASN A 13 12.508 -1.929 0.197 1.00 1.00 H new ATOM 203 N LYS A 14 11.407 1.155 1.068 1.00 1.00 N ATOM 204 CA LYS A 14 9.932 1.039 1.310 1.00 1.00 C ATOM 205 C LYS A 14 9.141 2.185 0.677 1.00 1.00 C ATOM 206 O LYS A 14 8.019 1.995 0.246 1.00 1.00 O ATOM 207 CB LYS A 14 9.705 1.005 2.831 1.00 1.00 C ATOM 208 CG LYS A 14 10.279 -0.319 3.401 1.00 1.00 C ATOM 209 CD LYS A 14 10.283 -0.360 4.955 1.00 1.00 C ATOM 210 CE LYS A 14 8.881 -0.126 5.565 1.00 1.00 C ATOM 211 NZ LYS A 14 8.480 1.307 5.453 1.00 1.00 N ATOM 0 H LYS A 14 11.972 0.885 1.873 1.00 1.00 H new ATOM 0 HA LYS A 14 9.569 0.125 0.840 1.00 1.00 H new ATOM 0 HB2 LYS A 14 10.191 1.859 3.303 1.00 1.00 H new ATOM 0 HB3 LYS A 14 8.641 1.080 3.054 1.00 1.00 H new ATOM 0 HG2 LYS A 14 9.692 -1.156 3.022 1.00 1.00 H new ATOM 0 HG3 LYS A 14 11.298 -0.454 3.037 1.00 1.00 H new ATOM 0 HD2 LYS A 14 10.662 -1.326 5.287 1.00 1.00 H new ATOM 0 HD3 LYS A 14 10.969 0.398 5.332 1.00 1.00 H new ATOM 0 HE2 LYS A 14 8.150 -0.753 5.055 1.00 1.00 H new ATOM 0 HE3 LYS A 14 8.882 -0.426 6.613 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.059 1.621 6.351 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 9.317 1.886 5.242 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 7.783 1.414 4.688 1.00 1.00 H new ATOM 225 N ASP A 15 9.772 3.334 0.657 1.00 1.00 N ATOM 226 CA ASP A 15 9.171 4.574 0.076 1.00 1.00 C ATOM 227 C ASP A 15 8.382 4.294 -1.207 1.00 1.00 C ATOM 228 O ASP A 15 7.334 4.871 -1.417 1.00 1.00 O ATOM 229 CB ASP A 15 10.295 5.575 -0.219 1.00 1.00 C ATOM 230 CG ASP A 15 9.703 6.887 -0.779 1.00 1.00 C ATOM 231 OD1 ASP A 15 9.021 7.549 -0.013 1.00 1.00 O ATOM 232 OD2 ASP A 15 9.961 7.155 -1.942 1.00 1.00 O ATOM 0 H ASP A 15 10.711 3.466 1.033 1.00 1.00 H new ATOM 0 HA ASP A 15 8.468 4.981 0.803 1.00 1.00 H new ATOM 0 HB2 ASP A 15 10.858 5.780 0.691 1.00 1.00 H new ATOM 0 HB3 ASP A 15 10.995 5.147 -0.937 1.00 1.00 H new ATOM 237 N CYS A 16 8.928 3.421 -2.016 1.00 1.00 N ATOM 238 CA CYS A 16 8.288 3.038 -3.299 1.00 1.00 C ATOM 239 C CYS A 16 7.857 1.569 -3.307 1.00 1.00 C ATOM 240 O CYS A 16 8.429 0.767 -2.596 1.00 1.00 O ATOM 241 CB CYS A 16 9.292 3.306 -4.401 1.00 1.00 C ATOM 242 SG CYS A 16 9.097 4.943 -5.151 1.00 1.00 S ATOM 0 H CYS A 16 9.813 2.949 -1.830 1.00 1.00 H new ATOM 0 HA CYS A 16 7.381 3.624 -3.446 1.00 1.00 H new ATOM 0 HB2 CYS A 16 10.300 3.215 -3.997 1.00 1.00 H new ATOM 0 HB3 CYS A 16 9.188 2.544 -5.173 1.00 1.00 H new ATOM 247 N CYS A 17 6.867 1.252 -4.112 1.00 1.00 N ATOM 248 CA CYS A 17 6.362 -0.131 -4.215 1.00 1.00 C ATOM 249 C CYS A 17 7.468 -0.957 -4.873 1.00 1.00 C ATOM 250 O CYS A 17 7.622 -2.134 -4.610 1.00 1.00 O ATOM 251 CB CYS A 17 5.106 -0.112 -5.063 1.00 1.00 C ATOM 252 SG CYS A 17 5.205 -0.004 -6.867 1.00 1.00 S ATOM 0 H CYS A 17 6.385 1.922 -4.712 1.00 1.00 H new ATOM 0 HA CYS A 17 6.113 -0.562 -3.246 1.00 1.00 H new ATOM 0 HB2 CYS A 17 4.547 -1.017 -4.827 1.00 1.00 H new ATOM 0 HB3 CYS A 17 4.504 0.731 -4.725 1.00 1.00 H new ATOM 257 N SER A 18 8.203 -0.279 -5.723 1.00 1.00 N ATOM 258 CA SER A 18 9.332 -0.892 -6.457 1.00 1.00 C ATOM 259 C SER A 18 10.456 -1.164 -5.435 1.00 1.00 C ATOM 260 O SER A 18 11.418 -1.842 -5.739 1.00 1.00 O ATOM 261 CB SER A 18 9.798 0.092 -7.543 1.00 1.00 C ATOM 262 OG SER A 18 10.864 -0.577 -8.202 1.00 1.00 O ATOM 0 H SER A 18 8.053 0.707 -5.938 1.00 1.00 H new ATOM 0 HA SER A 18 9.046 -1.827 -6.939 1.00 1.00 H new ATOM 0 HB2 SER A 18 8.990 0.329 -8.236 1.00 1.00 H new ATOM 0 HB3 SER A 18 10.131 1.034 -7.107 1.00 1.00 H new ATOM 0 HG SER A 18 11.221 -1.278 -7.618 1.00 1.00 H new ATOM 268 N LYS A 19 10.266 -0.613 -4.256 1.00 1.00 N ATOM 269 CA LYS A 19 11.208 -0.730 -3.106 1.00 1.00 C ATOM 270 C LYS A 19 12.695 -0.797 -3.473 1.00 1.00 C ATOM 271 O LYS A 19 13.437 -1.584 -2.914 1.00 1.00 O ATOM 272 CB LYS A 19 10.820 -1.992 -2.279 1.00 1.00 C ATOM 273 CG LYS A 19 9.412 -1.829 -1.667 1.00 1.00 C ATOM 274 CD LYS A 19 8.958 -3.083 -0.872 1.00 1.00 C ATOM 275 CE LYS A 19 9.863 -3.367 0.352 1.00 1.00 C ATOM 276 NZ LYS A 19 11.167 -3.954 -0.070 1.00 1.00 N ATOM 0 H LYS A 19 9.441 -0.053 -4.040 1.00 1.00 H new ATOM 0 HA LYS A 19 11.102 0.192 -2.535 1.00 1.00 H new ATOM 0 HB2 LYS A 19 10.844 -2.874 -2.919 1.00 1.00 H new ATOM 0 HB3 LYS A 19 11.551 -2.153 -1.486 1.00 1.00 H new ATOM 0 HG2 LYS A 19 9.405 -0.962 -1.006 1.00 1.00 H new ATOM 0 HG3 LYS A 19 8.695 -1.629 -2.463 1.00 1.00 H new ATOM 0 HD2 LYS A 19 7.930 -2.944 -0.536 1.00 1.00 H new ATOM 0 HD3 LYS A 19 8.963 -3.950 -1.533 1.00 1.00 H new ATOM 0 HE2 LYS A 19 10.038 -2.442 0.902 1.00 1.00 H new ATOM 0 HE3 LYS A 19 9.356 -4.051 1.032 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 11.774 -4.087 0.764 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 11.002 -4.873 -0.529 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 11.636 -3.312 -0.740 1.00 1.00 H new ATOM 290 N LYS A 20 13.094 0.028 -4.413 1.00 1.00 N ATOM 291 CA LYS A 20 14.535 0.015 -4.799 1.00 1.00 C ATOM 292 C LYS A 20 14.962 1.469 -4.940 1.00 1.00 C ATOM 293 O LYS A 20 15.286 1.949 -6.006 1.00 1.00 O ATOM 294 CB LYS A 20 14.709 -0.807 -6.131 1.00 1.00 C ATOM 295 CG LYS A 20 14.601 -2.329 -5.861 1.00 1.00 C ATOM 296 CD LYS A 20 15.791 -2.833 -5.012 1.00 1.00 C ATOM 297 CE LYS A 20 15.635 -4.344 -4.782 1.00 1.00 C ATOM 298 NZ LYS A 20 16.772 -4.855 -3.966 1.00 1.00 N ATOM 0 H LYS A 20 12.502 0.690 -4.915 1.00 1.00 H new ATOM 0 HA LYS A 20 15.165 -0.470 -4.054 1.00 1.00 H new ATOM 0 HB2 LYS A 20 13.947 -0.506 -6.850 1.00 1.00 H new ATOM 0 HB3 LYS A 20 15.677 -0.581 -6.578 1.00 1.00 H new ATOM 0 HG2 LYS A 20 13.666 -2.544 -5.344 1.00 1.00 H new ATOM 0 HG3 LYS A 20 14.573 -2.868 -6.808 1.00 1.00 H new ATOM 0 HD2 LYS A 20 16.732 -2.625 -5.521 1.00 1.00 H new ATOM 0 HD3 LYS A 20 15.822 -2.308 -4.057 1.00 1.00 H new ATOM 0 HE2 LYS A 20 14.692 -4.548 -4.275 1.00 1.00 H new ATOM 0 HE3 LYS A 20 15.601 -4.864 -5.739 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 16.659 -5.878 -3.815 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 17.666 -4.676 -4.466 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 16.786 -4.369 -3.047 1.00 1.00 H new ATOM 312 N CYS A 21 14.950 2.145 -3.818 1.00 1.00 N ATOM 313 CA CYS A 21 15.348 3.580 -3.823 1.00 1.00 C ATOM 314 C CYS A 21 16.839 3.607 -3.471 1.00 1.00 C ATOM 315 O CYS A 21 17.260 2.974 -2.522 1.00 1.00 O ATOM 316 CB CYS A 21 14.471 4.319 -2.792 1.00 1.00 C ATOM 317 SG CYS A 21 14.767 6.083 -2.512 1.00 1.00 S ATOM 0 H CYS A 21 14.684 1.767 -2.909 1.00 1.00 H new ATOM 0 HA CYS A 21 15.202 4.077 -4.782 1.00 1.00 H new ATOM 0 HB2 CYS A 21 13.431 4.202 -3.097 1.00 1.00 H new ATOM 0 HB3 CYS A 21 14.582 3.808 -1.835 1.00 1.00 H new ATOM 322 N LYS A 22 17.586 4.347 -4.258 1.00 1.00 N ATOM 323 CA LYS A 22 19.075 4.448 -4.036 1.00 1.00 C ATOM 324 C LYS A 22 19.729 5.844 -4.080 1.00 1.00 C ATOM 325 O LYS A 22 19.239 6.753 -4.720 1.00 1.00 O ATOM 326 CB LYS A 22 19.762 3.549 -5.081 1.00 1.00 C ATOM 327 CG LYS A 22 19.194 3.871 -6.496 1.00 1.00 C ATOM 328 CD LYS A 22 20.292 3.795 -7.576 1.00 1.00 C ATOM 329 CE LYS A 22 21.317 4.932 -7.369 1.00 1.00 C ATOM 330 NZ LYS A 22 20.629 6.257 -7.350 1.00 1.00 N ATOM 0 H LYS A 22 17.233 4.888 -5.047 1.00 1.00 H new ATOM 0 HA LYS A 22 19.217 4.139 -3.000 1.00 1.00 H new ATOM 0 HB2 LYS A 22 20.840 3.712 -5.064 1.00 1.00 H new ATOM 0 HB3 LYS A 22 19.594 2.499 -4.840 1.00 1.00 H new ATOM 0 HG2 LYS A 22 18.396 3.169 -6.737 1.00 1.00 H new ATOM 0 HG3 LYS A 22 18.752 4.868 -6.494 1.00 1.00 H new ATOM 0 HD2 LYS A 22 20.794 2.829 -7.528 1.00 1.00 H new ATOM 0 HD3 LYS A 22 19.845 3.873 -8.567 1.00 1.00 H new ATOM 0 HE2 LYS A 22 21.853 4.780 -6.432 1.00 1.00 H new ATOM 0 HE3 LYS A 22 22.058 4.912 -8.168 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 21.141 6.923 -7.963 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 19.654 6.147 -7.696 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 20.612 6.625 -6.378 1.00 1.00 H new ATOM 344 N ARG A 23 20.840 5.932 -3.380 1.00 1.00 N ATOM 345 CA ARG A 23 21.648 7.189 -3.279 1.00 1.00 C ATOM 346 C ARG A 23 23.117 6.953 -3.691 1.00 1.00 C ATOM 347 O ARG A 23 23.780 6.080 -3.166 1.00 1.00 O ATOM 348 CB ARG A 23 21.583 7.727 -1.794 1.00 1.00 C ATOM 349 CG ARG A 23 22.754 8.671 -1.446 1.00 1.00 C ATOM 350 CD ARG A 23 22.833 9.885 -2.400 1.00 1.00 C ATOM 351 NE ARG A 23 21.623 10.742 -2.274 1.00 1.00 N ATOM 352 CZ ARG A 23 21.758 12.039 -2.174 1.00 1.00 C ATOM 353 NH1 ARG A 23 22.469 12.677 -3.062 1.00 1.00 N ATOM 354 NH2 ARG A 23 21.177 12.659 -1.189 1.00 1.00 N ATOM 0 H ARG A 23 21.232 5.150 -2.855 1.00 1.00 H new ATOM 0 HA ARG A 23 21.228 7.926 -3.963 1.00 1.00 H new ATOM 0 HB2 ARG A 23 20.641 8.254 -1.645 1.00 1.00 H new ATOM 0 HB3 ARG A 23 21.587 6.882 -1.106 1.00 1.00 H new ATOM 0 HG2 ARG A 23 22.641 9.024 -0.421 1.00 1.00 H new ATOM 0 HG3 ARG A 23 23.691 8.116 -1.490 1.00 1.00 H new ATOM 0 HD2 ARG A 23 23.724 10.472 -2.175 1.00 1.00 H new ATOM 0 HD3 ARG A 23 22.932 9.538 -3.429 1.00 1.00 H new ATOM 0 HE ARG A 23 20.694 10.321 -2.266 1.00 1.00 H new ATOM 0 HH11 ARG A 23 22.913 12.164 -3.824 1.00 1.00 H new ATOM 0 HH12 ARG A 23 22.581 13.689 -2.994 1.00 1.00 H new ATOM 0 HH21 ARG A 23 20.627 12.134 -0.510 1.00 1.00 H new ATOM 0 HH22 ARG A 23 21.272 13.670 -1.096 1.00 1.00 H new ATOM 368 N ARG A 24 23.559 7.757 -4.626 1.00 1.00 N ATOM 369 CA ARG A 24 24.958 7.702 -5.155 1.00 1.00 C ATOM 370 C ARG A 24 25.549 9.114 -5.069 1.00 1.00 C ATOM 371 O ARG A 24 26.081 9.688 -6.000 1.00 1.00 O ATOM 372 CB ARG A 24 24.935 7.168 -6.629 1.00 1.00 C ATOM 373 CG ARG A 24 23.660 7.526 -7.449 1.00 1.00 C ATOM 374 CD ARG A 24 23.376 9.039 -7.622 1.00 1.00 C ATOM 375 NE ARG A 24 22.289 9.435 -6.667 1.00 1.00 N ATOM 376 CZ ARG A 24 22.377 10.453 -5.847 1.00 1.00 C ATOM 377 NH1 ARG A 24 23.473 11.155 -5.739 1.00 1.00 N ATOM 378 NH2 ARG A 24 21.319 10.738 -5.138 1.00 1.00 N ATOM 0 H ARG A 24 22.983 8.478 -5.061 1.00 1.00 H new ATOM 0 HA ARG A 24 25.579 7.023 -4.571 1.00 1.00 H new ATOM 0 HB2 ARG A 24 25.806 7.561 -7.154 1.00 1.00 H new ATOM 0 HB3 ARG A 24 25.039 6.083 -6.606 1.00 1.00 H new ATOM 0 HG2 ARG A 24 23.748 7.076 -8.438 1.00 1.00 H new ATOM 0 HG3 ARG A 24 22.798 7.066 -6.965 1.00 1.00 H new ATOM 0 HD2 ARG A 24 24.279 9.618 -7.428 1.00 1.00 H new ATOM 0 HD3 ARG A 24 23.075 9.252 -8.648 1.00 1.00 H new ATOM 0 HE ARG A 24 21.433 8.880 -6.655 1.00 1.00 H new ATOM 0 HH11 ARG A 24 24.289 10.916 -6.302 1.00 1.00 H new ATOM 0 HH12 ARG A 24 23.513 11.943 -5.092 1.00 1.00 H new ATOM 0 HH21 ARG A 24 20.473 10.177 -5.237 1.00 1.00 H new ATOM 0 HH22 ARG A 24 21.338 11.522 -4.485 1.00 1.00 H new ATOM 392 N GLY A 25 25.405 9.597 -3.867 1.00 1.00 N ATOM 393 CA GLY A 25 25.848 10.926 -3.423 1.00 1.00 C ATOM 394 C GLY A 25 26.386 10.865 -1.999 1.00 1.00 C ATOM 395 O GLY A 25 26.692 9.809 -1.478 1.00 1.00 O ATOM 0 H GLY A 25 24.957 9.064 -3.121 1.00 1.00 H new ATOM 0 HA2 GLY A 25 26.621 11.300 -4.094 1.00 1.00 H new ATOM 0 HA3 GLY A 25 25.016 11.628 -3.473 1.00 1.00 H new ATOM 399 N THR A 26 26.476 12.033 -1.425 1.00 1.00 N ATOM 400 CA THR A 26 26.977 12.187 -0.035 1.00 1.00 C ATOM 401 C THR A 26 25.788 12.126 0.928 1.00 1.00 C ATOM 402 O THR A 26 25.781 11.341 1.856 1.00 1.00 O ATOM 403 CB THR A 26 27.716 13.548 0.096 1.00 1.00 C ATOM 404 OG1 THR A 26 26.792 14.541 -0.334 1.00 1.00 O ATOM 405 CG2 THR A 26 28.884 13.652 -0.903 1.00 1.00 C ATOM 0 H THR A 26 26.215 12.909 -1.877 1.00 1.00 H new ATOM 0 HA THR A 26 27.675 11.386 0.208 1.00 1.00 H new ATOM 0 HB THR A 26 28.078 13.657 1.118 1.00 1.00 H new ATOM 0 HG1 THR A 26 27.209 15.426 -0.270 1.00 1.00 H new ATOM 0 HG21 THR A 26 29.379 14.616 -0.785 1.00 1.00 H new ATOM 0 HG22 THR A 26 29.598 12.851 -0.712 1.00 1.00 H new ATOM 0 HG23 THR A 26 28.502 13.563 -1.920 1.00 1.00 H new ATOM 413 N ASN A 27 24.818 12.964 0.668 1.00 1.00 N ATOM 414 CA ASN A 27 23.590 13.011 1.528 1.00 1.00 C ATOM 415 C ASN A 27 22.772 11.736 1.271 1.00 1.00 C ATOM 416 O ASN A 27 22.932 11.132 0.232 1.00 1.00 O ATOM 417 CB ASN A 27 22.788 14.266 1.153 1.00 1.00 C ATOM 418 CG ASN A 27 23.649 15.504 1.433 1.00 1.00 C ATOM 419 OD1 ASN A 27 23.967 15.816 2.563 1.00 1.00 O ATOM 420 ND2 ASN A 27 24.048 16.233 0.428 1.00 1.00 N ATOM 0 H ASN A 27 24.821 13.625 -0.109 1.00 1.00 H new ATOM 0 HA ASN A 27 23.844 13.058 2.587 1.00 1.00 H new ATOM 0 HB2 ASN A 27 22.505 14.233 0.101 1.00 1.00 H new ATOM 0 HB3 ASN A 27 21.864 14.310 1.730 1.00 1.00 H new ATOM 0 HD21 ASN A 27 24.623 17.059 0.594 1.00 1.00 H new ATOM 0 HD22 ASN A 27 23.785 15.977 -0.524 1.00 1.00 H new ATOM 427 N ILE A 28 21.935 11.349 2.200 1.00 1.00 N ATOM 428 CA ILE A 28 21.104 10.110 2.015 1.00 1.00 C ATOM 429 C ILE A 28 19.969 10.212 0.992 1.00 1.00 C ATOM 430 O ILE A 28 19.680 9.223 0.350 1.00 1.00 O ATOM 431 CB ILE A 28 20.513 9.688 3.379 1.00 1.00 C ATOM 432 CG1 ILE A 28 21.713 9.395 4.313 1.00 1.00 C ATOM 433 CG2 ILE A 28 19.658 8.384 3.188 1.00 1.00 C ATOM 434 CD1 ILE A 28 21.248 9.039 5.740 1.00 1.00 C ATOM 0 H ILE A 28 21.788 11.837 3.084 1.00 1.00 H new ATOM 0 HA ILE A 28 21.790 9.367 1.609 1.00 1.00 H new ATOM 0 HB ILE A 28 19.874 10.466 3.797 1.00 1.00 H new ATOM 0 HG12 ILE A 28 22.300 8.572 3.905 1.00 1.00 H new ATOM 0 HG13 ILE A 28 22.367 10.266 4.350 1.00 1.00 H new ATOM 0 HG21 ILE A 28 19.238 8.081 4.147 1.00 1.00 H new ATOM 0 HG22 ILE A 28 18.850 8.579 2.483 1.00 1.00 H new ATOM 0 HG23 ILE A 28 20.292 7.586 2.801 1.00 1.00 H new ATOM 0 HD11 ILE A 28 22.117 8.840 6.367 1.00 1.00 H new ATOM 0 HD12 ILE A 28 20.683 9.873 6.157 1.00 1.00 H new ATOM 0 HD13 ILE A 28 20.615 8.153 5.706 1.00 1.00 H new ATOM 446 N GLU A 29 19.379 11.380 0.880 1.00 1.00 N ATOM 447 CA GLU A 29 18.241 11.636 -0.074 1.00 1.00 C ATOM 448 C GLU A 29 18.421 10.896 -1.413 1.00 1.00 C ATOM 449 O GLU A 29 18.971 11.392 -2.376 1.00 1.00 O ATOM 450 CB GLU A 29 18.130 13.160 -0.328 1.00 1.00 C ATOM 451 CG GLU A 29 17.856 13.901 0.997 1.00 1.00 C ATOM 452 CD GLU A 29 17.776 15.415 0.727 1.00 1.00 C ATOM 453 OE1 GLU A 29 16.841 15.802 0.044 1.00 1.00 O ATOM 454 OE2 GLU A 29 18.657 16.103 1.219 1.00 1.00 O ATOM 0 H GLU A 29 19.647 12.197 1.429 1.00 1.00 H new ATOM 0 HA GLU A 29 17.327 11.255 0.383 1.00 1.00 H new ATOM 0 HB2 GLU A 29 19.052 13.530 -0.776 1.00 1.00 H new ATOM 0 HB3 GLU A 29 17.328 13.360 -1.038 1.00 1.00 H new ATOM 0 HG2 GLU A 29 16.923 13.549 1.438 1.00 1.00 H new ATOM 0 HG3 GLU A 29 18.648 13.690 1.716 1.00 1.00 H new ATOM 461 N LYS A 30 17.903 9.696 -1.383 1.00 1.00 N ATOM 462 CA LYS A 30 17.951 8.754 -2.546 1.00 1.00 C ATOM 463 C LYS A 30 16.706 8.872 -3.403 1.00 1.00 C ATOM 464 O LYS A 30 15.745 9.475 -2.980 1.00 1.00 O ATOM 465 CB LYS A 30 18.093 7.308 -1.987 1.00 1.00 C ATOM 466 CG LYS A 30 17.226 7.097 -0.729 1.00 1.00 C ATOM 467 CD LYS A 30 17.177 5.608 -0.285 1.00 1.00 C ATOM 468 CE LYS A 30 18.525 5.119 0.292 1.00 1.00 C ATOM 469 NZ LYS A 30 19.554 4.986 -0.775 1.00 1.00 N ATOM 0 H LYS A 30 17.428 9.314 -0.565 1.00 1.00 H new ATOM 0 HA LYS A 30 18.801 9.001 -3.182 1.00 1.00 H new ATOM 0 HB2 LYS A 30 17.802 6.591 -2.754 1.00 1.00 H new ATOM 0 HB3 LYS A 30 19.138 7.111 -1.747 1.00 1.00 H new ATOM 0 HG2 LYS A 30 17.620 7.703 0.086 1.00 1.00 H new ATOM 0 HG3 LYS A 30 16.213 7.448 -0.926 1.00 1.00 H new ATOM 0 HD2 LYS A 30 16.397 5.481 0.465 1.00 1.00 H new ATOM 0 HD3 LYS A 30 16.903 4.987 -1.138 1.00 1.00 H new ATOM 0 HE2 LYS A 30 18.874 5.819 1.051 1.00 1.00 H new ATOM 0 HE3 LYS A 30 18.384 4.158 0.786 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 19.896 4.004 -0.807 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 19.136 5.238 -1.694 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 20.350 5.623 -0.571 1.00 1.00 H new ATOM 483 N ARG A 31 16.756 8.292 -4.577 1.00 1.00 N ATOM 484 CA ARG A 31 15.595 8.346 -5.492 1.00 1.00 C ATOM 485 C ARG A 31 14.958 6.989 -5.589 1.00 1.00 C ATOM 486 O ARG A 31 15.522 6.027 -5.115 1.00 1.00 O ATOM 487 CB ARG A 31 15.998 8.783 -6.891 1.00 1.00 C ATOM 488 CG ARG A 31 16.388 10.261 -6.830 1.00 1.00 C ATOM 489 CD ARG A 31 16.347 10.783 -8.247 1.00 1.00 C ATOM 490 NE ARG A 31 16.621 12.248 -8.224 1.00 1.00 N ATOM 491 CZ ARG A 31 15.687 13.078 -8.601 1.00 1.00 C ATOM 492 NH1 ARG A 31 15.543 13.336 -9.871 1.00 1.00 N ATOM 493 NH2 ARG A 31 14.927 13.621 -7.689 1.00 1.00 N ATOM 0 H ARG A 31 17.563 7.781 -4.935 1.00 1.00 H new ATOM 0 HA ARG A 31 14.896 9.075 -5.083 1.00 1.00 H new ATOM 0 HB2 ARG A 31 16.833 8.183 -7.252 1.00 1.00 H new ATOM 0 HB3 ARG A 31 15.174 8.635 -7.589 1.00 1.00 H new ATOM 0 HG2 ARG A 31 15.699 10.816 -6.194 1.00 1.00 H new ATOM 0 HG3 ARG A 31 17.384 10.381 -6.403 1.00 1.00 H new ATOM 0 HD2 ARG A 31 17.087 10.270 -8.861 1.00 1.00 H new ATOM 0 HD3 ARG A 31 15.372 10.588 -8.694 1.00 1.00 H new ATOM 0 HE ARG A 31 17.529 12.598 -7.917 1.00 1.00 H new ATOM 0 HH11 ARG A 31 16.156 12.891 -10.554 1.00 1.00 H new ATOM 0 HH12 ARG A 31 14.818 13.983 -10.181 1.00 1.00 H new ATOM 0 HH21 ARG A 31 15.070 13.394 -6.705 1.00 1.00 H new ATOM 0 HH22 ARG A 31 14.191 14.273 -7.961 1.00 1.00 H new ATOM 507 N CYS A 32 13.824 6.985 -6.236 1.00 1.00 N ATOM 508 CA CYS A 32 13.010 5.749 -6.425 1.00 1.00 C ATOM 509 C CYS A 32 13.152 4.884 -7.679 1.00 1.00 C ATOM 510 O CYS A 32 12.673 5.234 -8.741 1.00 1.00 O ATOM 511 CB CYS A 32 11.529 6.151 -6.291 1.00 1.00 C ATOM 512 SG CYS A 32 10.713 6.060 -4.681 1.00 1.00 S ATOM 0 H CYS A 32 13.414 7.819 -6.657 1.00 1.00 H new ATOM 0 HA CYS A 32 13.418 5.088 -5.660 1.00 1.00 H new ATOM 0 HB2 CYS A 32 11.438 7.179 -6.643 1.00 1.00 H new ATOM 0 HB3 CYS A 32 10.960 5.527 -6.979 1.00 1.00 H new ATOM 517 N ARG A 33 13.816 3.768 -7.507 1.00 1.00 N ATOM 518 CA ARG A 33 14.025 2.816 -8.623 1.00 1.00 C ATOM 519 C ARG A 33 13.335 1.480 -8.208 1.00 1.00 C ATOM 520 O ARG A 33 12.806 1.401 -7.096 1.00 1.00 O ATOM 521 CB ARG A 33 15.546 2.626 -8.831 1.00 1.00 C ATOM 522 CG ARG A 33 16.322 3.977 -8.822 1.00 1.00 C ATOM 523 CD ARG A 33 15.854 4.922 -9.949 1.00 1.00 C ATOM 524 NE ARG A 33 16.112 4.266 -11.265 1.00 1.00 N ATOM 525 CZ ARG A 33 16.900 4.840 -12.133 1.00 1.00 C ATOM 526 NH1 ARG A 33 16.399 5.723 -12.953 1.00 1.00 N ATOM 527 NH2 ARG A 33 18.162 4.511 -12.150 1.00 1.00 N ATOM 528 OXT ARG A 33 13.375 0.593 -9.045 1.00 1.00 O ATOM 0 H ARG A 33 14.227 3.478 -6.620 1.00 1.00 H new ATOM 0 HA ARG A 33 13.601 3.173 -9.561 1.00 1.00 H new ATOM 0 HB2 ARG A 33 15.939 1.980 -8.046 1.00 1.00 H new ATOM 0 HB3 ARG A 33 15.719 2.117 -9.779 1.00 1.00 H new ATOM 0 HG2 ARG A 33 16.185 4.467 -7.858 1.00 1.00 H new ATOM 0 HG3 ARG A 33 17.389 3.783 -8.932 1.00 1.00 H new ATOM 0 HD2 ARG A 33 14.792 5.143 -9.839 1.00 1.00 H new ATOM 0 HD3 ARG A 33 16.385 5.872 -9.890 1.00 1.00 H new ATOM 0 HE ARG A 33 15.674 3.372 -11.485 1.00 1.00 H new ATOM 0 HH11 ARG A 33 15.407 5.955 -12.909 1.00 1.00 H new ATOM 0 HH12 ARG A 33 17.000 6.182 -13.638 1.00 1.00 H new ATOM 0 HH21 ARG A 33 18.517 3.817 -11.493 1.00 1.00 H new ATOM 0 HH22 ARG A 33 18.794 4.948 -12.821 1.00 1.00 H new TER 542 ARG A 33