USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=8 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= -0.0405 K(o=-5.7,f=-6.5) USER MOD Set 1.2: A 30 LYS NZ :NH3+ -154:sc= -5.69! (180deg=-7.77!) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0805 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.1) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.19) USER MOD Single : A 14 LYS NZ :NH3+ -150:sc= 0.278 (180deg=-0.386) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -105:sc= -2.7! (180deg=-5.53!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -0.0372 (180deg=-0.483) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 27 ASN : amide:sc= 0.036 X(o=0.036,f=-0.0025) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.060 -0.373 -0.603 1.00 1.00 N ATOM 2 CA GLY A 1 1.952 -0.213 -1.787 1.00 1.00 C ATOM 3 C GLY A 1 2.042 1.249 -2.228 1.00 1.00 C ATOM 4 O GLY A 1 1.459 2.121 -1.614 1.00 1.00 O ATOM 0 H1 GLY A 1 1.601 -0.778 0.187 1.00 1.00 H new ATOM 0 H2 GLY A 1 0.683 0.555 -0.324 1.00 1.00 H new ATOM 0 H3 GLY A 1 0.273 -1.008 -0.845 1.00 1.00 H new ATOM 0 HA2 GLY A 1 2.948 -0.583 -1.546 1.00 1.00 H new ATOM 0 HA3 GLY A 1 1.577 -0.820 -2.611 1.00 1.00 H new ATOM 10 N ASP A 2 2.779 1.461 -3.291 1.00 1.00 N ATOM 11 CA ASP A 2 2.974 2.816 -3.851 1.00 1.00 C ATOM 12 C ASP A 2 2.546 2.816 -5.305 1.00 1.00 C ATOM 13 O ASP A 2 2.780 1.875 -6.028 1.00 1.00 O ATOM 14 CB ASP A 2 4.472 3.193 -3.658 1.00 1.00 C ATOM 15 CG ASP A 2 5.555 2.342 -4.378 1.00 1.00 C ATOM 16 OD1 ASP A 2 5.276 1.698 -5.372 1.00 1.00 O ATOM 17 OD2 ASP A 2 6.664 2.391 -3.872 1.00 1.00 O ATOM 0 H ASP A 2 3.264 0.723 -3.802 1.00 1.00 H new ATOM 0 HA ASP A 2 2.365 3.565 -3.344 1.00 1.00 H new ATOM 0 HB2 ASP A 2 4.597 4.227 -3.980 1.00 1.00 H new ATOM 0 HB3 ASP A 2 4.685 3.164 -2.589 1.00 1.00 H new ATOM 22 N CYS A 3 1.934 3.876 -5.739 1.00 1.00 N ATOM 23 CA CYS A 3 1.496 3.893 -7.157 1.00 1.00 C ATOM 24 C CYS A 3 2.621 4.431 -8.031 1.00 1.00 C ATOM 25 O CYS A 3 2.504 5.471 -8.650 1.00 1.00 O ATOM 26 CB CYS A 3 0.230 4.747 -7.198 1.00 1.00 C ATOM 27 SG CYS A 3 -1.193 4.133 -6.256 1.00 1.00 S ATOM 0 H CYS A 3 1.722 4.710 -5.192 1.00 1.00 H new ATOM 0 HA CYS A 3 1.270 2.901 -7.548 1.00 1.00 H new ATOM 0 HB2 CYS A 3 0.478 5.743 -6.830 1.00 1.00 H new ATOM 0 HB3 CYS A 3 -0.073 4.858 -8.239 1.00 1.00 H new ATOM 32 N LEU A 4 3.698 3.672 -8.042 1.00 1.00 N ATOM 33 CA LEU A 4 4.870 4.100 -8.872 1.00 1.00 C ATOM 34 C LEU A 4 4.496 3.941 -10.363 1.00 1.00 C ATOM 35 O LEU A 4 4.388 2.820 -10.823 1.00 1.00 O ATOM 36 CB LEU A 4 6.111 3.219 -8.554 1.00 1.00 C ATOM 37 CG LEU A 4 6.809 3.677 -7.245 1.00 1.00 C ATOM 38 CD1 LEU A 4 7.897 2.641 -6.873 1.00 1.00 C ATOM 39 CD2 LEU A 4 7.516 5.039 -7.462 1.00 1.00 C ATOM 0 H LEU A 4 3.813 2.799 -7.527 1.00 1.00 H new ATOM 0 HA LEU A 4 5.116 5.138 -8.648 1.00 1.00 H new ATOM 0 HB2 LEU A 4 5.805 2.177 -8.460 1.00 1.00 H new ATOM 0 HB3 LEU A 4 6.818 3.270 -9.382 1.00 1.00 H new ATOM 0 HG LEU A 4 6.059 3.767 -6.460 1.00 1.00 H new ATOM 0 HD11 LEU A 4 8.396 2.951 -5.955 1.00 1.00 H new ATOM 0 HD12 LEU A 4 7.434 1.665 -6.723 1.00 1.00 H new ATOM 0 HD13 LEU A 4 8.628 2.576 -7.679 1.00 1.00 H new ATOM 0 HD21 LEU A 4 8.001 5.349 -6.536 1.00 1.00 H new ATOM 0 HD22 LEU A 4 8.264 4.939 -8.248 1.00 1.00 H new ATOM 0 HD23 LEU A 4 6.780 5.788 -7.754 1.00 1.00 H new ATOM 51 N PRO A 5 4.305 5.040 -11.075 1.00 1.00 N ATOM 52 CA PRO A 5 3.670 5.059 -12.432 1.00 1.00 C ATOM 53 C PRO A 5 4.233 3.961 -13.321 1.00 1.00 C ATOM 54 O PRO A 5 3.626 2.942 -13.590 1.00 1.00 O ATOM 55 CB PRO A 5 3.957 6.472 -12.966 1.00 1.00 C ATOM 56 CG PRO A 5 5.081 7.011 -12.044 1.00 1.00 C ATOM 57 CD PRO A 5 4.716 6.419 -10.682 1.00 1.00 C ATOM 0 HA PRO A 5 2.599 4.858 -12.403 1.00 1.00 H new ATOM 0 HB2 PRO A 5 4.276 6.446 -14.008 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.069 7.102 -12.920 1.00 1.00 H new ATOM 0 HG2 PRO A 5 6.067 6.685 -12.375 1.00 1.00 H new ATOM 0 HG3 PRO A 5 5.097 8.101 -12.020 1.00 1.00 H new ATOM 0 HD2 PRO A 5 5.560 6.417 -9.993 1.00 1.00 H new ATOM 0 HD3 PRO A 5 3.909 6.968 -10.196 1.00 1.00 H new ATOM 65 N HIS A 6 5.424 4.280 -13.728 1.00 1.00 N ATOM 66 CA HIS A 6 6.231 3.390 -14.611 1.00 1.00 C ATOM 67 C HIS A 6 6.662 2.163 -13.788 1.00 1.00 C ATOM 68 O HIS A 6 6.642 2.200 -12.573 1.00 1.00 O ATOM 69 CB HIS A 6 7.451 4.192 -15.091 1.00 1.00 C ATOM 70 CG HIS A 6 8.369 3.342 -15.975 1.00 1.00 C ATOM 71 ND1 HIS A 6 8.091 2.930 -17.166 1.00 1.00 N ATOM 72 CD2 HIS A 6 9.637 2.843 -15.727 1.00 1.00 C ATOM 73 CE1 HIS A 6 9.083 2.239 -17.630 1.00 1.00 C ATOM 74 NE2 HIS A 6 10.066 2.159 -16.768 1.00 1.00 N ATOM 0 H HIS A 6 5.891 5.152 -13.478 1.00 1.00 H new ATOM 0 HA HIS A 6 5.665 3.048 -15.477 1.00 1.00 H new ATOM 0 HB2 HIS A 6 7.116 5.067 -15.648 1.00 1.00 H new ATOM 0 HB3 HIS A 6 8.010 4.557 -14.229 1.00 1.00 H new ATOM 0 HD2 HIS A 6 10.193 2.993 -14.813 1.00 1.00 H new ATOM 0 HE1 HIS A 6 9.098 1.784 -18.609 1.00 1.00 H new ATOM 0 HE2 HIS A 6 10.959 1.678 -16.878 1.00 1.00 H new ATOM 82 N LEU A 7 7.023 1.121 -14.493 1.00 1.00 N ATOM 83 CA LEU A 7 7.478 -0.154 -13.866 1.00 1.00 C ATOM 84 C LEU A 7 8.878 0.002 -13.226 1.00 1.00 C ATOM 85 O LEU A 7 9.858 -0.546 -13.691 1.00 1.00 O ATOM 86 CB LEU A 7 7.436 -1.263 -14.978 1.00 1.00 C ATOM 87 CG LEU A 7 8.268 -0.910 -16.255 1.00 1.00 C ATOM 88 CD1 LEU A 7 8.907 -2.201 -16.815 1.00 1.00 C ATOM 89 CD2 LEU A 7 7.318 -0.375 -17.362 1.00 1.00 C ATOM 0 H LEU A 7 7.020 1.103 -15.513 1.00 1.00 H new ATOM 0 HA LEU A 7 6.820 -0.441 -13.046 1.00 1.00 H new ATOM 0 HB2 LEU A 7 7.809 -2.198 -14.560 1.00 1.00 H new ATOM 0 HB3 LEU A 7 6.399 -1.435 -15.267 1.00 1.00 H new ATOM 0 HG LEU A 7 9.022 -0.170 -15.988 1.00 1.00 H new ATOM 0 HD11 LEU A 7 9.489 -1.962 -17.705 1.00 1.00 H new ATOM 0 HD12 LEU A 7 9.561 -2.640 -16.061 1.00 1.00 H new ATOM 0 HD13 LEU A 7 8.123 -2.913 -17.074 1.00 1.00 H new ATOM 0 HD21 LEU A 7 7.898 -0.129 -18.252 1.00 1.00 H new ATOM 0 HD22 LEU A 7 6.581 -1.139 -17.609 1.00 1.00 H new ATOM 0 HD23 LEU A 7 6.808 0.519 -17.003 1.00 1.00 H new ATOM 101 N LYS A 8 8.921 0.767 -12.160 1.00 1.00 N ATOM 102 CA LYS A 8 10.195 1.025 -11.417 1.00 1.00 C ATOM 103 C LYS A 8 10.630 -0.241 -10.678 1.00 1.00 C ATOM 104 O LYS A 8 9.825 -1.123 -10.451 1.00 1.00 O ATOM 105 CB LYS A 8 9.961 2.166 -10.408 1.00 1.00 C ATOM 106 CG LYS A 8 9.527 3.473 -11.110 1.00 1.00 C ATOM 107 CD LYS A 8 10.677 4.041 -11.937 1.00 1.00 C ATOM 108 CE LYS A 8 11.826 4.414 -10.995 1.00 1.00 C ATOM 109 NZ LYS A 8 12.978 4.844 -11.803 1.00 1.00 N ATOM 0 H LYS A 8 8.105 1.234 -11.765 1.00 1.00 H new ATOM 0 HA LYS A 8 10.980 1.309 -12.118 1.00 1.00 H new ATOM 0 HB2 LYS A 8 9.196 1.867 -9.692 1.00 1.00 H new ATOM 0 HB3 LYS A 8 10.875 2.344 -9.842 1.00 1.00 H new ATOM 0 HG2 LYS A 8 8.669 3.280 -11.754 1.00 1.00 H new ATOM 0 HG3 LYS A 8 9.210 4.204 -10.367 1.00 1.00 H new ATOM 0 HD2 LYS A 8 11.013 3.307 -12.670 1.00 1.00 H new ATOM 0 HD3 LYS A 8 10.345 4.918 -12.493 1.00 1.00 H new ATOM 0 HE2 LYS A 8 11.518 5.213 -10.321 1.00 1.00 H new ATOM 0 HE3 LYS A 8 12.098 3.560 -10.374 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 13.766 5.100 -11.175 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 13.272 4.067 -12.429 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 12.711 5.669 -12.377 1.00 1.00 H new ATOM 123 N LEU A 9 11.887 -0.285 -10.311 1.00 1.00 N ATOM 124 CA LEU A 9 12.438 -1.447 -9.597 1.00 1.00 C ATOM 125 C LEU A 9 11.910 -1.582 -8.161 1.00 1.00 C ATOM 126 O LEU A 9 11.613 -0.605 -7.501 1.00 1.00 O ATOM 127 CB LEU A 9 13.958 -1.303 -9.611 1.00 1.00 C ATOM 128 CG LEU A 9 14.459 0.091 -9.111 1.00 1.00 C ATOM 129 CD1 LEU A 9 15.753 -0.115 -8.292 1.00 1.00 C ATOM 130 CD2 LEU A 9 14.827 0.987 -10.324 1.00 1.00 C ATOM 0 H LEU A 9 12.560 0.461 -10.487 1.00 1.00 H new ATOM 0 HA LEU A 9 12.120 -2.360 -10.102 1.00 1.00 H new ATOM 0 HB2 LEU A 9 14.394 -2.082 -8.986 1.00 1.00 H new ATOM 0 HB3 LEU A 9 14.321 -1.468 -10.626 1.00 1.00 H new ATOM 0 HG LEU A 9 13.674 0.557 -8.516 1.00 1.00 H new ATOM 0 HD11 LEU A 9 16.116 0.849 -7.936 1.00 1.00 H new ATOM 0 HD12 LEU A 9 15.545 -0.762 -7.440 1.00 1.00 H new ATOM 0 HD13 LEU A 9 16.513 -0.578 -8.922 1.00 1.00 H new ATOM 0 HD21 LEU A 9 15.175 1.957 -9.968 1.00 1.00 H new ATOM 0 HD22 LEU A 9 15.616 0.508 -10.904 1.00 1.00 H new ATOM 0 HD23 LEU A 9 13.948 1.126 -10.954 1.00 1.00 H new ATOM 142 N CYS A 10 11.815 -2.819 -7.742 1.00 1.00 N ATOM 143 CA CYS A 10 11.335 -3.188 -6.403 1.00 1.00 C ATOM 144 C CYS A 10 11.986 -4.514 -5.987 1.00 1.00 C ATOM 145 O CYS A 10 12.677 -5.150 -6.764 1.00 1.00 O ATOM 146 CB CYS A 10 9.760 -3.308 -6.419 1.00 1.00 C ATOM 147 SG CYS A 10 8.832 -3.179 -7.974 1.00 1.00 S ATOM 0 H CYS A 10 12.069 -3.621 -8.318 1.00 1.00 H new ATOM 0 HA CYS A 10 11.609 -2.421 -5.679 1.00 1.00 H new ATOM 0 HB2 CYS A 10 9.508 -4.271 -5.975 1.00 1.00 H new ATOM 0 HB3 CYS A 10 9.374 -2.538 -5.751 1.00 1.00 H new ATOM 152 N LYS A 11 11.727 -4.864 -4.754 1.00 1.00 N ATOM 153 CA LYS A 11 12.255 -6.123 -4.140 1.00 1.00 C ATOM 154 C LYS A 11 11.041 -6.969 -3.701 1.00 1.00 C ATOM 155 O LYS A 11 11.101 -8.182 -3.714 1.00 1.00 O ATOM 156 CB LYS A 11 13.142 -5.757 -2.943 1.00 1.00 C ATOM 157 CG LYS A 11 14.449 -6.606 -2.909 1.00 1.00 C ATOM 158 CD LYS A 11 14.131 -8.102 -2.822 1.00 1.00 C ATOM 159 CE LYS A 11 13.401 -8.395 -1.506 1.00 1.00 C ATOM 160 NZ LYS A 11 12.431 -9.487 -1.723 1.00 1.00 N ATOM 0 H LYS A 11 11.149 -4.308 -4.123 1.00 1.00 H new ATOM 0 HA LYS A 11 12.859 -6.695 -4.844 1.00 1.00 H new ATOM 0 HB2 LYS A 11 13.398 -4.698 -2.990 1.00 1.00 H new ATOM 0 HB3 LYS A 11 12.585 -5.910 -2.018 1.00 1.00 H new ATOM 0 HG2 LYS A 11 15.039 -6.408 -3.804 1.00 1.00 H new ATOM 0 HG3 LYS A 11 15.057 -6.310 -2.054 1.00 1.00 H new ATOM 0 HD2 LYS A 11 13.513 -8.403 -3.668 1.00 1.00 H new ATOM 0 HD3 LYS A 11 15.051 -8.684 -2.877 1.00 1.00 H new ATOM 0 HE2 LYS A 11 14.117 -8.676 -0.734 1.00 1.00 H new ATOM 0 HE3 LYS A 11 12.887 -7.500 -1.154 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 11.909 -9.667 -0.842 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 11.763 -9.214 -2.472 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 12.937 -10.350 -2.008 1.00 1.00 H new ATOM 174 N GLU A 12 9.979 -6.293 -3.323 1.00 1.00 N ATOM 175 CA GLU A 12 8.717 -6.966 -2.872 1.00 1.00 C ATOM 176 C GLU A 12 7.555 -6.542 -3.803 1.00 1.00 C ATOM 177 O GLU A 12 7.555 -5.445 -4.328 1.00 1.00 O ATOM 178 CB GLU A 12 8.448 -6.540 -1.412 1.00 1.00 C ATOM 179 CG GLU A 12 8.239 -5.005 -1.354 1.00 1.00 C ATOM 180 CD GLU A 12 8.059 -4.447 0.074 1.00 1.00 C ATOM 181 OE1 GLU A 12 8.295 -5.172 1.028 1.00 1.00 O ATOM 182 OE2 GLU A 12 7.685 -3.286 0.122 1.00 1.00 O ATOM 0 H GLU A 12 9.935 -5.274 -3.308 1.00 1.00 H new ATOM 0 HA GLU A 12 8.807 -8.051 -2.919 1.00 1.00 H new ATOM 0 HB2 GLU A 12 7.566 -7.053 -1.028 1.00 1.00 H new ATOM 0 HB3 GLU A 12 9.286 -6.828 -0.777 1.00 1.00 H new ATOM 0 HG2 GLU A 12 9.094 -4.515 -1.819 1.00 1.00 H new ATOM 0 HG3 GLU A 12 7.362 -4.746 -1.947 1.00 1.00 H new ATOM 189 N ASN A 13 6.594 -7.416 -3.983 1.00 1.00 N ATOM 190 CA ASN A 13 5.420 -7.118 -4.862 1.00 1.00 C ATOM 191 C ASN A 13 4.634 -5.930 -4.302 1.00 1.00 C ATOM 192 O ASN A 13 4.459 -4.907 -4.949 1.00 1.00 O ATOM 193 CB ASN A 13 4.530 -8.374 -4.930 1.00 1.00 C ATOM 194 CG ASN A 13 5.352 -9.549 -5.475 1.00 1.00 C ATOM 195 OD1 ASN A 13 5.819 -9.534 -6.596 1.00 1.00 O ATOM 196 ND2 ASN A 13 5.553 -10.586 -4.710 1.00 1.00 N ATOM 0 H ASN A 13 6.574 -8.339 -3.550 1.00 1.00 H new ATOM 0 HA ASN A 13 5.758 -6.855 -5.864 1.00 1.00 H new ATOM 0 HB2 ASN A 13 4.144 -8.614 -3.939 1.00 1.00 H new ATOM 0 HB3 ASN A 13 3.669 -8.189 -5.572 1.00 1.00 H new ATOM 0 HD21 ASN A 13 6.099 -11.376 -5.055 1.00 1.00 H new ATOM 0 HD22 ASN A 13 5.165 -10.607 -3.767 1.00 1.00 H new ATOM 203 N LYS A 14 4.200 -6.155 -3.083 1.00 1.00 N ATOM 204 CA LYS A 14 3.411 -5.156 -2.307 1.00 1.00 C ATOM 205 C LYS A 14 3.933 -3.734 -2.519 1.00 1.00 C ATOM 206 O LYS A 14 3.172 -2.795 -2.399 1.00 1.00 O ATOM 207 CB LYS A 14 3.464 -5.527 -0.812 1.00 1.00 C ATOM 208 CG LYS A 14 4.920 -5.648 -0.316 1.00 1.00 C ATOM 209 CD LYS A 14 4.957 -5.773 1.228 1.00 1.00 C ATOM 210 CE LYS A 14 4.307 -4.537 1.897 1.00 1.00 C ATOM 211 NZ LYS A 14 4.829 -3.272 1.300 1.00 1.00 N ATOM 0 H LYS A 14 4.370 -7.026 -2.580 1.00 1.00 H new ATOM 0 HA LYS A 14 2.380 -5.178 -2.661 1.00 1.00 H new ATOM 0 HB2 LYS A 14 2.940 -4.770 -0.228 1.00 1.00 H new ATOM 0 HB3 LYS A 14 2.943 -6.471 -0.651 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.394 -6.519 -0.769 1.00 1.00 H new ATOM 0 HG3 LYS A 14 5.492 -4.775 -0.630 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.432 -6.677 1.537 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.989 -5.873 1.564 1.00 1.00 H new ATOM 0 HE2 LYS A 14 3.224 -4.581 1.777 1.00 1.00 H new ATOM 0 HE3 LYS A 14 4.510 -4.549 2.968 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 4.815 -2.518 2.017 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 5.805 -3.420 0.972 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 4.231 -2.995 0.495 1.00 1.00 H new ATOM 225 N ASP A 15 5.211 -3.639 -2.822 1.00 1.00 N ATOM 226 CA ASP A 15 5.876 -2.325 -3.067 1.00 1.00 C ATOM 227 C ASP A 15 4.975 -1.383 -3.849 1.00 1.00 C ATOM 228 O ASP A 15 4.908 -0.221 -3.510 1.00 1.00 O ATOM 229 CB ASP A 15 7.190 -2.538 -3.858 1.00 1.00 C ATOM 230 CG ASP A 15 7.924 -1.194 -4.092 1.00 1.00 C ATOM 231 OD1 ASP A 15 7.450 -0.424 -4.915 1.00 1.00 O ATOM 232 OD2 ASP A 15 8.929 -1.012 -3.426 1.00 1.00 O ATOM 0 H ASP A 15 5.832 -4.443 -2.910 1.00 1.00 H new ATOM 0 HA ASP A 15 6.090 -1.877 -2.097 1.00 1.00 H new ATOM 0 HB2 ASP A 15 7.840 -3.221 -3.311 1.00 1.00 H new ATOM 0 HB3 ASP A 15 6.969 -3.007 -4.817 1.00 1.00 H new ATOM 237 N CYS A 16 4.316 -1.915 -4.850 1.00 1.00 N ATOM 238 CA CYS A 16 3.407 -1.064 -5.683 1.00 1.00 C ATOM 239 C CYS A 16 1.934 -1.232 -5.326 1.00 1.00 C ATOM 240 O CYS A 16 1.544 -2.227 -4.751 1.00 1.00 O ATOM 241 CB CYS A 16 3.576 -1.417 -7.173 1.00 1.00 C ATOM 242 SG CYS A 16 4.484 -0.167 -8.120 1.00 1.00 S ATOM 0 H CYS A 16 4.367 -2.896 -5.126 1.00 1.00 H new ATOM 0 HA CYS A 16 3.691 -0.031 -5.481 1.00 1.00 H new ATOM 0 HB2 CYS A 16 4.097 -2.371 -7.254 1.00 1.00 H new ATOM 0 HB3 CYS A 16 2.591 -1.553 -7.619 1.00 1.00 H new ATOM 247 N CYS A 17 1.166 -0.233 -5.685 1.00 1.00 N ATOM 248 CA CYS A 17 -0.292 -0.203 -5.450 1.00 1.00 C ATOM 249 C CYS A 17 -0.847 -1.379 -6.268 1.00 1.00 C ATOM 250 O CYS A 17 -1.738 -2.090 -5.846 1.00 1.00 O ATOM 251 CB CYS A 17 -0.820 1.129 -5.961 1.00 1.00 C ATOM 252 SG CYS A 17 -0.522 2.660 -5.040 1.00 1.00 S ATOM 0 H CYS A 17 1.521 0.600 -6.155 1.00 1.00 H new ATOM 0 HA CYS A 17 -0.576 -0.295 -4.402 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -0.412 1.273 -6.961 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -1.900 1.025 -6.069 1.00 1.00 H new ATOM 257 N SER A 18 -0.268 -1.517 -7.438 1.00 1.00 N ATOM 258 CA SER A 18 -0.625 -2.577 -8.403 1.00 1.00 C ATOM 259 C SER A 18 -0.142 -3.947 -7.902 1.00 1.00 C ATOM 260 O SER A 18 -0.499 -4.964 -8.462 1.00 1.00 O ATOM 261 CB SER A 18 0.027 -2.232 -9.740 1.00 1.00 C ATOM 262 OG SER A 18 -0.527 -0.972 -10.087 1.00 1.00 O ATOM 0 H SER A 18 0.474 -0.899 -7.767 1.00 1.00 H new ATOM 0 HA SER A 18 -1.707 -2.634 -8.517 1.00 1.00 H new ATOM 0 HB2 SER A 18 1.112 -2.178 -9.651 1.00 1.00 H new ATOM 0 HB3 SER A 18 -0.194 -2.985 -10.496 1.00 1.00 H new ATOM 0 HG SER A 18 -0.154 -0.675 -10.943 1.00 1.00 H new ATOM 268 N LYS A 19 0.650 -3.901 -6.853 1.00 1.00 N ATOM 269 CA LYS A 19 1.256 -5.096 -6.191 1.00 1.00 C ATOM 270 C LYS A 19 1.650 -6.238 -7.143 1.00 1.00 C ATOM 271 O LYS A 19 1.670 -7.381 -6.726 1.00 1.00 O ATOM 272 CB LYS A 19 0.253 -5.619 -5.153 1.00 1.00 C ATOM 273 CG LYS A 19 -0.065 -4.521 -4.118 1.00 1.00 C ATOM 274 CD LYS A 19 -0.952 -5.049 -2.983 1.00 1.00 C ATOM 275 CE LYS A 19 -2.325 -5.547 -3.489 1.00 1.00 C ATOM 276 NZ LYS A 19 -2.187 -6.841 -4.218 1.00 1.00 N ATOM 0 H LYS A 19 0.913 -3.023 -6.406 1.00 1.00 H new ATOM 0 HA LYS A 19 2.192 -4.765 -5.741 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -0.664 -5.936 -5.650 1.00 1.00 H new ATOM 0 HB3 LYS A 19 0.663 -6.495 -4.650 1.00 1.00 H new ATOM 0 HG2 LYS A 19 0.865 -4.133 -3.702 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -0.565 -3.688 -4.613 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -0.438 -5.864 -2.474 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -1.104 -4.259 -2.247 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -3.005 -5.671 -2.646 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -2.767 -4.799 -4.148 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -2.277 -6.675 -5.241 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -1.255 -7.256 -4.015 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -2.933 -7.496 -3.907 1.00 1.00 H new ATOM 290 N LYS A 20 1.964 -5.914 -8.381 1.00 1.00 N ATOM 291 CA LYS A 20 2.353 -7.005 -9.334 1.00 1.00 C ATOM 292 C LYS A 20 3.717 -6.661 -9.914 1.00 1.00 C ATOM 293 O LYS A 20 3.877 -6.408 -11.088 1.00 1.00 O ATOM 294 CB LYS A 20 1.257 -7.139 -10.469 1.00 1.00 C ATOM 295 CG LYS A 20 0.301 -8.323 -10.191 1.00 1.00 C ATOM 296 CD LYS A 20 -0.635 -8.015 -9.011 1.00 1.00 C ATOM 297 CE LYS A 20 -1.458 -9.255 -8.664 1.00 1.00 C ATOM 298 NZ LYS A 20 -2.249 -8.983 -7.433 1.00 1.00 N ATOM 0 H LYS A 20 1.968 -4.968 -8.763 1.00 1.00 H new ATOM 0 HA LYS A 20 2.414 -7.966 -8.823 1.00 1.00 H new ATOM 0 HB2 LYS A 20 0.684 -6.214 -10.535 1.00 1.00 H new ATOM 0 HB3 LYS A 20 1.745 -7.281 -11.433 1.00 1.00 H new ATOM 0 HG2 LYS A 20 -0.290 -8.534 -11.082 1.00 1.00 H new ATOM 0 HG3 LYS A 20 0.882 -9.220 -9.974 1.00 1.00 H new ATOM 0 HD2 LYS A 20 -0.052 -7.701 -8.145 1.00 1.00 H new ATOM 0 HD3 LYS A 20 -1.297 -7.188 -9.267 1.00 1.00 H new ATOM 0 HE2 LYS A 20 -2.122 -9.509 -9.490 1.00 1.00 H new ATOM 0 HE3 LYS A 20 -0.801 -10.111 -8.508 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 -2.812 -9.823 -7.190 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 -1.604 -8.760 -6.648 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 -2.884 -8.176 -7.600 1.00 1.00 H new ATOM 312 N CYS A 21 4.692 -6.670 -9.049 1.00 1.00 N ATOM 313 CA CYS A 21 6.075 -6.346 -9.499 1.00 1.00 C ATOM 314 C CYS A 21 6.816 -7.671 -9.724 1.00 1.00 C ATOM 315 O CYS A 21 6.780 -8.533 -8.870 1.00 1.00 O ATOM 316 CB CYS A 21 6.733 -5.477 -8.401 1.00 1.00 C ATOM 317 SG CYS A 21 8.486 -5.070 -8.602 1.00 1.00 S ATOM 0 H CYS A 21 4.593 -6.886 -8.057 1.00 1.00 H new ATOM 0 HA CYS A 21 6.097 -5.785 -10.433 1.00 1.00 H new ATOM 0 HB2 CYS A 21 6.176 -4.543 -8.331 1.00 1.00 H new ATOM 0 HB3 CYS A 21 6.613 -5.991 -7.447 1.00 1.00 H new ATOM 322 N LYS A 22 7.463 -7.794 -10.864 1.00 1.00 N ATOM 323 CA LYS A 22 8.225 -9.063 -11.189 1.00 1.00 C ATOM 324 C LYS A 22 9.644 -8.735 -11.685 1.00 1.00 C ATOM 325 O LYS A 22 9.859 -7.664 -12.208 1.00 1.00 O ATOM 326 CB LYS A 22 7.450 -9.854 -12.269 1.00 1.00 C ATOM 327 CG LYS A 22 5.996 -10.175 -11.806 1.00 1.00 C ATOM 328 CD LYS A 22 5.951 -11.074 -10.533 1.00 1.00 C ATOM 329 CE LYS A 22 6.534 -12.466 -10.807 1.00 1.00 C ATOM 330 NZ LYS A 22 6.508 -13.282 -9.560 1.00 1.00 N ATOM 0 H LYS A 22 7.500 -7.075 -11.586 1.00 1.00 H new ATOM 0 HA LYS A 22 8.316 -9.667 -10.286 1.00 1.00 H new ATOM 0 HB2 LYS A 22 7.420 -9.277 -13.193 1.00 1.00 H new ATOM 0 HB3 LYS A 22 7.976 -10.783 -12.490 1.00 1.00 H new ATOM 0 HG2 LYS A 22 5.469 -9.242 -11.605 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.463 -10.673 -12.616 1.00 1.00 H new ATOM 0 HD2 LYS A 22 6.510 -10.596 -9.729 1.00 1.00 H new ATOM 0 HD3 LYS A 22 4.921 -11.171 -10.191 1.00 1.00 H new ATOM 0 HE2 LYS A 22 5.960 -12.963 -11.589 1.00 1.00 H new ATOM 0 HE3 LYS A 22 7.557 -12.376 -11.172 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 7.135 -14.104 -9.670 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 6.833 -12.703 -8.759 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 5.537 -13.609 -9.379 1.00 1.00 H new ATOM 344 N ARG A 23 10.563 -9.664 -11.531 1.00 1.00 N ATOM 345 CA ARG A 23 11.990 -9.442 -11.961 1.00 1.00 C ATOM 346 C ARG A 23 12.461 -10.246 -13.181 1.00 1.00 C ATOM 347 O ARG A 23 13.320 -11.105 -13.096 1.00 1.00 O ATOM 348 CB ARG A 23 12.951 -9.748 -10.730 1.00 1.00 C ATOM 349 CG ARG A 23 12.807 -11.215 -10.227 1.00 1.00 C ATOM 350 CD ARG A 23 11.577 -11.359 -9.330 1.00 1.00 C ATOM 351 NE ARG A 23 10.935 -12.674 -9.615 1.00 1.00 N ATOM 352 CZ ARG A 23 10.737 -13.537 -8.656 1.00 1.00 C ATOM 353 NH1 ARG A 23 11.748 -14.230 -8.210 1.00 1.00 N ATOM 354 NH2 ARG A 23 9.532 -13.674 -8.177 1.00 1.00 N ATOM 0 H ARG A 23 10.384 -10.580 -11.120 1.00 1.00 H new ATOM 0 HA ARG A 23 12.034 -8.401 -12.280 1.00 1.00 H new ATOM 0 HB2 ARG A 23 13.985 -9.565 -11.023 1.00 1.00 H new ATOM 0 HB3 ARG A 23 12.725 -9.061 -9.914 1.00 1.00 H new ATOM 0 HG2 ARG A 23 12.724 -11.890 -11.078 1.00 1.00 H new ATOM 0 HG3 ARG A 23 13.701 -11.506 -9.676 1.00 1.00 H new ATOM 0 HD2 ARG A 23 11.864 -11.297 -8.280 1.00 1.00 H new ATOM 0 HD3 ARG A 23 10.875 -10.546 -9.517 1.00 1.00 H new ATOM 0 HE ARG A 23 10.648 -12.901 -10.567 1.00 1.00 H new ATOM 0 HH11 ARG A 23 12.676 -14.093 -8.610 1.00 1.00 H new ATOM 0 HH12 ARG A 23 11.610 -14.909 -7.461 1.00 1.00 H new ATOM 0 HH21 ARG A 23 8.767 -13.113 -8.552 1.00 1.00 H new ATOM 0 HH22 ARG A 23 9.354 -14.342 -7.427 1.00 1.00 H new ATOM 368 N ARG A 24 11.877 -9.932 -14.307 1.00 1.00 N ATOM 369 CA ARG A 24 12.247 -10.632 -15.573 1.00 1.00 C ATOM 370 C ARG A 24 13.321 -9.788 -16.273 1.00 1.00 C ATOM 371 O ARG A 24 13.217 -9.351 -17.403 1.00 1.00 O ATOM 372 CB ARG A 24 10.960 -10.779 -16.411 1.00 1.00 C ATOM 373 CG ARG A 24 10.145 -11.989 -15.893 1.00 1.00 C ATOM 374 CD ARG A 24 9.754 -11.891 -14.393 1.00 1.00 C ATOM 375 NE ARG A 24 9.064 -13.173 -14.078 1.00 1.00 N ATOM 376 CZ ARG A 24 7.789 -13.245 -13.797 1.00 1.00 C ATOM 377 NH1 ARG A 24 6.965 -12.321 -14.213 1.00 1.00 N ATOM 378 NH2 ARG A 24 7.378 -14.265 -13.096 1.00 1.00 N ATOM 0 H ARG A 24 11.156 -9.217 -14.405 1.00 1.00 H new ATOM 0 HA ARG A 24 12.659 -11.628 -15.410 1.00 1.00 H new ATOM 0 HB2 ARG A 24 10.363 -9.869 -16.344 1.00 1.00 H new ATOM 0 HB3 ARG A 24 11.211 -10.919 -17.462 1.00 1.00 H new ATOM 0 HG2 ARG A 24 9.237 -12.085 -16.489 1.00 1.00 H new ATOM 0 HG3 ARG A 24 10.726 -12.898 -16.048 1.00 1.00 H new ATOM 0 HD2 ARG A 24 10.635 -11.755 -13.766 1.00 1.00 H new ATOM 0 HD3 ARG A 24 9.099 -11.038 -14.213 1.00 1.00 H new ATOM 0 HE ARG A 24 9.611 -14.034 -14.082 1.00 1.00 H new ATOM 0 HH11 ARG A 24 7.315 -11.535 -14.762 1.00 1.00 H new ATOM 0 HH12 ARG A 24 5.972 -12.385 -13.989 1.00 1.00 H new ATOM 0 HH21 ARG A 24 8.044 -14.973 -12.786 1.00 1.00 H new ATOM 0 HH22 ARG A 24 6.390 -14.355 -12.857 1.00 1.00 H new ATOM 392 N GLY A 25 14.341 -9.620 -15.474 1.00 1.00 N ATOM 393 CA GLY A 25 15.572 -8.880 -15.759 1.00 1.00 C ATOM 394 C GLY A 25 16.730 -9.720 -15.229 1.00 1.00 C ATOM 395 O GLY A 25 16.562 -10.874 -14.881 1.00 1.00 O ATOM 0 H GLY A 25 14.348 -10.020 -14.536 1.00 1.00 H new ATOM 0 HA2 GLY A 25 15.679 -8.708 -16.830 1.00 1.00 H new ATOM 0 HA3 GLY A 25 15.554 -7.902 -15.279 1.00 1.00 H new ATOM 399 N THR A 26 17.879 -9.106 -15.184 1.00 1.00 N ATOM 400 CA THR A 26 19.093 -9.802 -14.685 1.00 1.00 C ATOM 401 C THR A 26 19.145 -9.601 -13.166 1.00 1.00 C ATOM 402 O THR A 26 19.204 -10.552 -12.410 1.00 1.00 O ATOM 403 CB THR A 26 20.352 -9.198 -15.374 1.00 1.00 C ATOM 404 OG1 THR A 26 20.307 -7.795 -15.136 1.00 1.00 O ATOM 405 CG2 THR A 26 20.276 -9.356 -16.907 1.00 1.00 C ATOM 0 H THR A 26 18.028 -8.140 -15.476 1.00 1.00 H new ATOM 0 HA THR A 26 19.066 -10.867 -14.914 1.00 1.00 H new ATOM 0 HB THR A 26 21.243 -9.694 -14.989 1.00 1.00 H new ATOM 0 HG1 THR A 26 21.085 -7.368 -15.552 1.00 1.00 H new ATOM 0 HG21 THR A 26 21.168 -8.925 -17.362 1.00 1.00 H new ATOM 0 HG22 THR A 26 20.214 -10.414 -17.161 1.00 1.00 H new ATOM 0 HG23 THR A 26 19.392 -8.840 -17.283 1.00 1.00 H new ATOM 413 N ASN A 27 19.118 -8.354 -12.779 1.00 1.00 N ATOM 414 CA ASN A 27 19.157 -7.972 -11.332 1.00 1.00 C ATOM 415 C ASN A 27 17.824 -8.325 -10.647 1.00 1.00 C ATOM 416 O ASN A 27 16.887 -8.749 -11.297 1.00 1.00 O ATOM 417 CB ASN A 27 19.406 -6.460 -11.228 1.00 1.00 C ATOM 418 CG ASN A 27 20.685 -6.091 -11.989 1.00 1.00 C ATOM 419 OD1 ASN A 27 21.772 -6.519 -11.656 1.00 1.00 O ATOM 420 ND2 ASN A 27 20.593 -5.299 -13.022 1.00 1.00 N ATOM 0 H ASN A 27 19.069 -7.562 -13.420 1.00 1.00 H new ATOM 0 HA ASN A 27 19.957 -8.520 -10.834 1.00 1.00 H new ATOM 0 HB2 ASN A 27 18.557 -5.913 -11.638 1.00 1.00 H new ATOM 0 HB3 ASN A 27 19.497 -6.168 -10.182 1.00 1.00 H new ATOM 0 HD21 ASN A 27 21.431 -5.043 -13.544 1.00 1.00 H new ATOM 0 HD22 ASN A 27 19.683 -4.936 -13.307 1.00 1.00 H new ATOM 427 N ILE A 28 17.781 -8.136 -9.349 1.00 1.00 N ATOM 428 CA ILE A 28 16.534 -8.432 -8.571 1.00 1.00 C ATOM 429 C ILE A 28 15.505 -7.367 -8.953 1.00 1.00 C ATOM 430 O ILE A 28 14.334 -7.574 -8.709 1.00 1.00 O ATOM 431 CB ILE A 28 16.782 -8.342 -7.055 1.00 1.00 C ATOM 432 CG1 ILE A 28 17.973 -9.241 -6.656 1.00 1.00 C ATOM 433 CG2 ILE A 28 15.489 -8.810 -6.303 1.00 1.00 C ATOM 434 CD1 ILE A 28 18.309 -9.029 -5.160 1.00 1.00 C ATOM 0 H ILE A 28 18.561 -7.787 -8.791 1.00 1.00 H new ATOM 0 HA ILE A 28 16.195 -9.442 -8.801 1.00 1.00 H new ATOM 0 HB ILE A 28 17.018 -7.313 -6.784 1.00 1.00 H new ATOM 0 HG12 ILE A 28 17.728 -10.287 -6.839 1.00 1.00 H new ATOM 0 HG13 ILE A 28 18.841 -9.004 -7.271 1.00 1.00 H new ATOM 0 HG21 ILE A 28 15.652 -8.751 -5.227 1.00 1.00 H new ATOM 0 HG22 ILE A 28 14.654 -8.166 -6.579 1.00 1.00 H new ATOM 0 HG23 ILE A 28 15.260 -9.839 -6.579 1.00 1.00 H new ATOM 0 HD11 ILE A 28 19.150 -9.665 -4.882 1.00 1.00 H new ATOM 0 HD12 ILE A 28 18.572 -7.985 -4.991 1.00 1.00 H new ATOM 0 HD13 ILE A 28 17.442 -9.288 -4.552 1.00 1.00 H new ATOM 446 N GLU A 29 15.990 -6.285 -9.533 1.00 1.00 N ATOM 447 CA GLU A 29 15.137 -5.137 -9.975 1.00 1.00 C ATOM 448 C GLU A 29 13.831 -5.668 -10.546 1.00 1.00 C ATOM 449 O GLU A 29 13.687 -5.980 -11.713 1.00 1.00 O ATOM 450 CB GLU A 29 15.878 -4.326 -11.047 1.00 1.00 C ATOM 451 CG GLU A 29 17.086 -3.609 -10.422 1.00 1.00 C ATOM 452 CD GLU A 29 17.750 -2.733 -11.499 1.00 1.00 C ATOM 453 OE1 GLU A 29 18.339 -3.318 -12.395 1.00 1.00 O ATOM 454 OE2 GLU A 29 17.624 -1.526 -11.368 1.00 1.00 O ATOM 0 H GLU A 29 16.983 -6.153 -9.722 1.00 1.00 H new ATOM 0 HA GLU A 29 14.924 -4.493 -9.122 1.00 1.00 H new ATOM 0 HB2 GLU A 29 16.211 -4.986 -11.848 1.00 1.00 H new ATOM 0 HB3 GLU A 29 15.203 -3.596 -11.494 1.00 1.00 H new ATOM 0 HG2 GLU A 29 16.767 -2.995 -9.579 1.00 1.00 H new ATOM 0 HG3 GLU A 29 17.799 -4.337 -10.034 1.00 1.00 H new ATOM 461 N LYS A 30 12.917 -5.736 -9.620 1.00 1.00 N ATOM 462 CA LYS A 30 11.555 -6.230 -9.897 1.00 1.00 C ATOM 463 C LYS A 30 10.845 -4.985 -10.378 1.00 1.00 C ATOM 464 O LYS A 30 10.835 -3.988 -9.697 1.00 1.00 O ATOM 465 CB LYS A 30 11.088 -6.781 -8.563 1.00 1.00 C ATOM 466 CG LYS A 30 10.106 -7.907 -8.715 1.00 1.00 C ATOM 467 CD LYS A 30 10.032 -8.714 -7.413 1.00 1.00 C ATOM 468 CE LYS A 30 9.492 -7.903 -6.240 1.00 1.00 C ATOM 469 NZ LYS A 30 8.135 -7.397 -6.541 1.00 1.00 N ATOM 0 H LYS A 30 13.071 -5.458 -8.651 1.00 1.00 H new ATOM 0 HA LYS A 30 11.411 -7.016 -10.638 1.00 1.00 H new ATOM 0 HB2 LYS A 30 11.951 -7.131 -7.996 1.00 1.00 H new ATOM 0 HB3 LYS A 30 10.629 -5.980 -7.984 1.00 1.00 H new ATOM 0 HG2 LYS A 30 9.121 -7.511 -8.964 1.00 1.00 H new ATOM 0 HG3 LYS A 30 10.407 -8.555 -9.538 1.00 1.00 H new ATOM 0 HD2 LYS A 30 9.397 -9.586 -7.568 1.00 1.00 H new ATOM 0 HD3 LYS A 30 11.027 -9.084 -7.164 1.00 1.00 H new ATOM 0 HE2 LYS A 30 9.465 -8.523 -5.344 1.00 1.00 H new ATOM 0 HE3 LYS A 30 10.160 -7.068 -6.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 7.956 -6.534 -5.989 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 8.062 -7.181 -7.556 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 7.431 -8.120 -6.290 1.00 1.00 H new ATOM 483 N ARG A 31 10.248 -5.046 -11.528 1.00 1.00 N ATOM 484 CA ARG A 31 9.559 -3.846 -12.038 1.00 1.00 C ATOM 485 C ARG A 31 8.102 -3.938 -11.671 1.00 1.00 C ATOM 486 O ARG A 31 7.574 -5.027 -11.588 1.00 1.00 O ATOM 487 CB ARG A 31 9.745 -3.778 -13.552 1.00 1.00 C ATOM 488 CG ARG A 31 11.236 -3.954 -13.940 1.00 1.00 C ATOM 489 CD ARG A 31 12.155 -2.964 -13.176 1.00 1.00 C ATOM 490 NE ARG A 31 13.575 -3.250 -13.544 1.00 1.00 N ATOM 491 CZ ARG A 31 14.318 -2.313 -14.070 1.00 1.00 C ATOM 492 NH1 ARG A 31 14.143 -2.003 -15.325 1.00 1.00 N ATOM 493 NH2 ARG A 31 15.212 -1.718 -13.327 1.00 1.00 N ATOM 0 H ARG A 31 10.209 -5.868 -12.130 1.00 1.00 H new ATOM 0 HA ARG A 31 9.973 -2.938 -11.599 1.00 1.00 H new ATOM 0 HB2 ARG A 31 9.148 -4.554 -14.030 1.00 1.00 H new ATOM 0 HB3 ARG A 31 9.380 -2.821 -13.924 1.00 1.00 H new ATOM 0 HG2 ARG A 31 11.548 -4.976 -13.727 1.00 1.00 H new ATOM 0 HG3 ARG A 31 11.352 -3.802 -15.013 1.00 1.00 H new ATOM 0 HD2 ARG A 31 11.898 -1.936 -13.431 1.00 1.00 H new ATOM 0 HD3 ARG A 31 12.014 -3.070 -12.100 1.00 1.00 H new ATOM 0 HE ARG A 31 13.965 -4.179 -13.384 1.00 1.00 H new ATOM 0 HH11 ARG A 31 13.436 -2.489 -15.877 1.00 1.00 H new ATOM 0 HH12 ARG A 31 14.713 -1.274 -15.755 1.00 1.00 H new ATOM 0 HH21 ARG A 31 15.323 -1.987 -12.349 1.00 1.00 H new ATOM 0 HH22 ARG A 31 15.799 -0.985 -13.724 1.00 1.00 H new ATOM 507 N CYS A 32 7.540 -2.771 -11.491 1.00 1.00 N ATOM 508 CA CYS A 32 6.105 -2.599 -11.102 1.00 1.00 C ATOM 509 C CYS A 32 5.056 -2.793 -12.197 1.00 1.00 C ATOM 510 O CYS A 32 4.901 -1.979 -13.086 1.00 1.00 O ATOM 511 CB CYS A 32 5.947 -1.188 -10.500 1.00 1.00 C ATOM 512 SG CYS A 32 6.244 -0.949 -8.731 1.00 1.00 S ATOM 0 H CYS A 32 8.041 -1.889 -11.603 1.00 1.00 H new ATOM 0 HA CYS A 32 5.901 -3.407 -10.399 1.00 1.00 H new ATOM 0 HB2 CYS A 32 6.621 -0.523 -11.039 1.00 1.00 H new ATOM 0 HB3 CYS A 32 4.932 -0.852 -10.711 1.00 1.00 H new ATOM 517 N ARG A 33 4.370 -3.899 -12.074 1.00 1.00 N ATOM 518 CA ARG A 33 3.297 -4.282 -13.025 1.00 1.00 C ATOM 519 C ARG A 33 1.992 -4.483 -12.193 1.00 1.00 C ATOM 520 O ARG A 33 2.046 -4.351 -10.970 1.00 1.00 O ATOM 521 CB ARG A 33 3.748 -5.588 -13.742 1.00 1.00 C ATOM 522 CG ARG A 33 5.303 -5.678 -13.769 1.00 1.00 C ATOM 523 CD ARG A 33 5.797 -6.968 -14.401 1.00 1.00 C ATOM 524 NE ARG A 33 7.252 -7.076 -14.058 1.00 1.00 N ATOM 525 CZ ARG A 33 8.171 -7.103 -14.987 1.00 1.00 C ATOM 526 NH1 ARG A 33 8.195 -6.160 -15.888 1.00 1.00 N ATOM 527 NH2 ARG A 33 9.039 -8.077 -14.978 1.00 1.00 N ATOM 528 OXT ARG A 33 0.996 -4.763 -12.838 1.00 1.00 O ATOM 0 H ARG A 33 4.519 -4.574 -11.324 1.00 1.00 H new ATOM 0 HA ARG A 33 3.109 -3.525 -13.786 1.00 1.00 H new ATOM 0 HB2 ARG A 33 3.335 -6.455 -13.227 1.00 1.00 H new ATOM 0 HB3 ARG A 33 3.358 -5.606 -14.760 1.00 1.00 H new ATOM 0 HG2 ARG A 33 5.704 -4.829 -14.322 1.00 1.00 H new ATOM 0 HG3 ARG A 33 5.686 -5.605 -12.751 1.00 1.00 H new ATOM 0 HD2 ARG A 33 5.243 -7.825 -14.018 1.00 1.00 H new ATOM 0 HD3 ARG A 33 5.653 -6.952 -15.481 1.00 1.00 H new ATOM 0 HE ARG A 33 7.531 -7.130 -13.078 1.00 1.00 H new ATOM 0 HH11 ARG A 33 7.501 -5.412 -15.862 1.00 1.00 H new ATOM 0 HH12 ARG A 33 8.907 -6.170 -16.618 1.00 1.00 H new ATOM 0 HH21 ARG A 33 8.991 -8.796 -14.256 1.00 1.00 H new ATOM 0 HH22 ARG A 33 9.765 -8.119 -15.693 1.00 1.00 H new TER 542 ARG A 33