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 Single : A 1 GLY N :NH3+ -117:sc= 0.0781 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -2.24! C(o=-2.2!,f=-2!) USER MOD Single : A 8 LYS NZ :NH3+ -127:sc= -7.27! (180deg=-13.7!) USER MOD Single : A 11 LYS NZ :NH3+ 133:sc= -4.05! (180deg=-6.16!) USER MOD Single : A 13 ASN : amide:sc= 0.0841 K(o=0.084,f=-1.6!) USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= -0.043 (180deg=-0.377) USER MOD Single : A 18 SER OG : rot 107:sc= 0.791 USER MOD Single : A 19 LYS NZ :NH3+ -110:sc= -2.49! (180deg=-5.49!) 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= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= 0.793 (180deg=0.305) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.439 -3.105 -2.811 1.00 1.00 N ATOM 2 CA GLY A 1 2.568 -2.158 -2.581 1.00 1.00 C ATOM 3 C GLY A 1 2.277 -0.785 -3.201 1.00 1.00 C ATOM 4 O GLY A 1 1.234 -0.571 -3.789 1.00 1.00 O ATOM 0 H1 GLY A 1 1.028 -3.384 -1.897 1.00 1.00 H new ATOM 0 H2 GLY A 1 0.711 -2.642 -3.392 1.00 1.00 H new ATOM 0 H3 GLY A 1 1.790 -3.950 -3.305 1.00 1.00 H new ATOM 0 HA2 GLY A 1 2.740 -2.047 -1.510 1.00 1.00 H new ATOM 0 HA3 GLY A 1 3.482 -2.567 -3.010 1.00 1.00 H new ATOM 10 N ASP A 2 3.229 0.100 -3.042 1.00 1.00 N ATOM 11 CA ASP A 2 3.135 1.481 -3.570 1.00 1.00 C ATOM 12 C ASP A 2 4.256 1.731 -4.584 1.00 1.00 C ATOM 13 O ASP A 2 5.147 2.525 -4.363 1.00 1.00 O ATOM 14 CB ASP A 2 3.218 2.478 -2.366 1.00 1.00 C ATOM 15 CG ASP A 2 4.502 2.370 -1.502 1.00 1.00 C ATOM 16 OD1 ASP A 2 5.316 1.491 -1.736 1.00 1.00 O ATOM 17 OD2 ASP A 2 4.591 3.208 -0.621 1.00 1.00 O ATOM 0 H ASP A 2 4.099 -0.095 -2.547 1.00 1.00 H new ATOM 0 HA ASP A 2 2.187 1.629 -4.088 1.00 1.00 H new ATOM 0 HB2 ASP A 2 3.144 3.495 -2.752 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.353 2.318 -1.723 1.00 1.00 H new ATOM 22 N CYS A 3 4.178 1.043 -5.694 1.00 1.00 N ATOM 23 CA CYS A 3 5.224 1.210 -6.741 1.00 1.00 C ATOM 24 C CYS A 3 4.904 2.388 -7.668 1.00 1.00 C ATOM 25 O CYS A 3 4.667 2.230 -8.852 1.00 1.00 O ATOM 26 CB CYS A 3 5.311 -0.098 -7.526 1.00 1.00 C ATOM 27 SG CYS A 3 5.739 -1.596 -6.608 1.00 1.00 S ATOM 0 H CYS A 3 3.439 0.377 -5.918 1.00 1.00 H new ATOM 0 HA CYS A 3 6.183 1.434 -6.274 1.00 1.00 H new ATOM 0 HB2 CYS A 3 4.349 -0.264 -8.011 1.00 1.00 H new ATOM 0 HB3 CYS A 3 6.048 0.033 -8.318 1.00 1.00 H new ATOM 32 N LEU A 4 4.905 3.547 -7.051 1.00 1.00 N ATOM 33 CA LEU A 4 4.628 4.849 -7.750 1.00 1.00 C ATOM 34 C LEU A 4 5.349 4.933 -9.122 1.00 1.00 C ATOM 35 O LEU A 4 6.348 4.265 -9.313 1.00 1.00 O ATOM 36 CB LEU A 4 5.098 5.982 -6.806 1.00 1.00 C ATOM 37 CG LEU A 4 4.016 6.364 -5.745 1.00 1.00 C ATOM 38 CD1 LEU A 4 3.529 5.142 -4.941 1.00 1.00 C ATOM 39 CD2 LEU A 4 4.651 7.342 -4.732 1.00 1.00 C ATOM 0 H LEU A 4 5.094 3.649 -6.054 1.00 1.00 H new ATOM 0 HA LEU A 4 3.563 4.938 -7.963 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.009 5.670 -6.295 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.349 6.863 -7.397 1.00 1.00 H new ATOM 0 HG LEU A 4 3.171 6.797 -6.280 1.00 1.00 H new ATOM 0 HD11 LEU A 4 2.778 5.459 -4.217 1.00 1.00 H new ATOM 0 HD12 LEU A 4 3.092 4.410 -5.620 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.372 4.692 -4.417 1.00 1.00 H new ATOM 0 HD21 LEU A 4 3.911 7.621 -3.982 1.00 1.00 H new ATOM 0 HD22 LEU A 4 5.498 6.861 -4.244 1.00 1.00 H new ATOM 0 HD23 LEU A 4 4.993 8.236 -5.254 1.00 1.00 H new ATOM 51 N PRO A 5 4.853 5.740 -10.037 1.00 1.00 N ATOM 52 CA PRO A 5 5.275 5.676 -11.465 1.00 1.00 C ATOM 53 C PRO A 5 6.662 6.309 -11.641 1.00 1.00 C ATOM 54 O PRO A 5 7.668 5.693 -11.347 1.00 1.00 O ATOM 55 CB PRO A 5 4.155 6.413 -12.194 1.00 1.00 C ATOM 56 CG PRO A 5 3.751 7.515 -11.172 1.00 1.00 C ATOM 57 CD PRO A 5 3.832 6.805 -9.803 1.00 1.00 C ATOM 0 HA PRO A 5 5.397 4.667 -11.858 1.00 1.00 H new ATOM 0 HB2 PRO A 5 4.498 6.840 -13.136 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.320 5.752 -12.428 1.00 1.00 H new ATOM 0 HG2 PRO A 5 4.426 8.369 -11.219 1.00 1.00 H new ATOM 0 HG3 PRO A 5 2.747 7.891 -11.367 1.00 1.00 H new ATOM 0 HD2 PRO A 5 4.137 7.489 -9.011 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.870 6.385 -9.509 1.00 1.00 H new ATOM 65 N HIS A 6 6.660 7.527 -12.116 1.00 1.00 N ATOM 66 CA HIS A 6 7.928 8.273 -12.337 1.00 1.00 C ATOM 67 C HIS A 6 8.516 8.638 -10.963 1.00 1.00 C ATOM 68 O HIS A 6 7.905 8.399 -9.940 1.00 1.00 O ATOM 69 CB HIS A 6 7.600 9.539 -13.160 1.00 1.00 C ATOM 70 CG HIS A 6 8.883 10.316 -13.478 1.00 1.00 C ATOM 71 ND1 HIS A 6 9.837 9.894 -14.241 1.00 1.00 N ATOM 72 CD2 HIS A 6 9.310 11.563 -13.056 1.00 1.00 C ATOM 73 CE1 HIS A 6 10.776 10.784 -14.297 1.00 1.00 C ATOM 74 NE2 HIS A 6 10.490 11.839 -13.575 1.00 1.00 N ATOM 0 H HIS A 6 5.816 8.043 -12.364 1.00 1.00 H new ATOM 0 HA HIS A 6 8.660 7.678 -12.883 1.00 1.00 H new ATOM 0 HB2 HIS A 6 7.098 9.259 -14.086 1.00 1.00 H new ATOM 0 HB3 HIS A 6 6.911 10.174 -12.603 1.00 1.00 H new ATOM 0 HD2 HIS A 6 8.757 12.216 -12.397 1.00 1.00 H new ATOM 0 HE1 HIS A 6 11.685 10.670 -14.869 1.00 1.00 H new ATOM 0 HE2 HIS A 6 11.051 12.681 -13.444 1.00 1.00 H new ATOM 82 N LEU A 7 9.696 9.192 -11.018 1.00 1.00 N ATOM 83 CA LEU A 7 10.465 9.641 -9.818 1.00 1.00 C ATOM 84 C LEU A 7 9.749 10.889 -9.268 1.00 1.00 C ATOM 85 O LEU A 7 10.263 11.990 -9.329 1.00 1.00 O ATOM 86 CB LEU A 7 11.936 9.976 -10.239 1.00 1.00 C ATOM 87 CG LEU A 7 12.450 9.121 -11.425 1.00 1.00 C ATOM 88 CD1 LEU A 7 13.926 9.476 -11.698 1.00 1.00 C ATOM 89 CD2 LEU A 7 12.320 7.605 -11.153 1.00 1.00 C ATOM 0 H LEU A 7 10.185 9.361 -11.897 1.00 1.00 H new ATOM 0 HA LEU A 7 10.508 8.866 -9.053 1.00 1.00 H new ATOM 0 HB2 LEU A 7 11.997 11.030 -10.508 1.00 1.00 H new ATOM 0 HB3 LEU A 7 12.593 9.827 -9.382 1.00 1.00 H new ATOM 0 HG LEU A 7 11.834 9.348 -12.295 1.00 1.00 H new ATOM 0 HD11 LEU A 7 14.296 8.879 -12.531 1.00 1.00 H new ATOM 0 HD12 LEU A 7 14.006 10.534 -11.947 1.00 1.00 H new ATOM 0 HD13 LEU A 7 14.521 9.266 -10.809 1.00 1.00 H new ATOM 0 HD21 LEU A 7 12.693 7.048 -12.012 1.00 1.00 H new ATOM 0 HD22 LEU A 7 12.903 7.343 -10.270 1.00 1.00 H new ATOM 0 HD23 LEU A 7 11.273 7.354 -10.985 1.00 1.00 H new ATOM 101 N LYS A 8 8.569 10.687 -8.738 1.00 1.00 N ATOM 102 CA LYS A 8 7.776 11.802 -8.180 1.00 1.00 C ATOM 103 C LYS A 8 8.436 12.294 -6.900 1.00 1.00 C ATOM 104 O LYS A 8 9.319 11.651 -6.358 1.00 1.00 O ATOM 105 CB LYS A 8 6.428 11.219 -7.975 1.00 1.00 C ATOM 106 CG LYS A 8 5.395 12.247 -7.525 1.00 1.00 C ATOM 107 CD LYS A 8 4.018 11.579 -7.482 1.00 1.00 C ATOM 108 CE LYS A 8 4.098 10.279 -6.668 1.00 1.00 C ATOM 109 NZ LYS A 8 4.665 9.157 -7.464 1.00 1.00 N ATOM 0 H LYS A 8 8.121 9.773 -8.672 1.00 1.00 H new ATOM 0 HA LYS A 8 7.711 12.681 -8.821 1.00 1.00 H new ATOM 0 HB2 LYS A 8 6.093 10.758 -8.904 1.00 1.00 H new ATOM 0 HB3 LYS A 8 6.491 10.426 -7.230 1.00 1.00 H new ATOM 0 HG2 LYS A 8 5.655 12.638 -6.541 1.00 1.00 H new ATOM 0 HG3 LYS A 8 5.382 13.094 -8.211 1.00 1.00 H new ATOM 0 HD2 LYS A 8 3.289 12.255 -7.035 1.00 1.00 H new ATOM 0 HD3 LYS A 8 3.675 11.365 -8.494 1.00 1.00 H new ATOM 0 HE2 LYS A 8 4.713 10.443 -5.783 1.00 1.00 H new ATOM 0 HE3 LYS A 8 3.102 10.008 -6.318 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 4.020 8.342 -7.424 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 4.783 9.458 -8.453 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 5.589 8.886 -7.072 1.00 1.00 H new ATOM 123 N LEU A 9 7.971 13.431 -6.462 1.00 1.00 N ATOM 124 CA LEU A 9 8.498 14.040 -5.247 1.00 1.00 C ATOM 125 C LEU A 9 8.082 13.239 -4.021 1.00 1.00 C ATOM 126 O LEU A 9 6.987 12.713 -3.945 1.00 1.00 O ATOM 127 CB LEU A 9 7.965 15.419 -5.161 1.00 1.00 C ATOM 128 CG LEU A 9 8.313 16.279 -6.410 1.00 1.00 C ATOM 129 CD1 LEU A 9 7.137 16.310 -7.415 1.00 1.00 C ATOM 130 CD2 LEU A 9 8.653 17.710 -5.955 1.00 1.00 C ATOM 0 H LEU A 9 7.230 13.963 -6.919 1.00 1.00 H new ATOM 0 HA LEU A 9 9.587 14.054 -5.280 1.00 1.00 H new ATOM 0 HB2 LEU A 9 6.882 15.378 -5.044 1.00 1.00 H new ATOM 0 HB3 LEU A 9 8.364 15.903 -4.270 1.00 1.00 H new ATOM 0 HG LEU A 9 9.170 15.833 -6.914 1.00 1.00 H new ATOM 0 HD11 LEU A 9 7.411 16.919 -8.277 1.00 1.00 H new ATOM 0 HD12 LEU A 9 6.913 15.295 -7.744 1.00 1.00 H new ATOM 0 HD13 LEU A 9 6.258 16.738 -6.933 1.00 1.00 H new ATOM 0 HD21 LEU A 9 8.898 18.320 -6.825 1.00 1.00 H new ATOM 0 HD22 LEU A 9 7.795 18.141 -5.440 1.00 1.00 H new ATOM 0 HD23 LEU A 9 9.507 17.683 -5.278 1.00 1.00 H new ATOM 142 N CYS A 10 9.001 13.184 -3.102 1.00 1.00 N ATOM 143 CA CYS A 10 8.794 12.462 -1.838 1.00 1.00 C ATOM 144 C CYS A 10 9.679 13.066 -0.743 1.00 1.00 C ATOM 145 O CYS A 10 10.434 13.991 -0.981 1.00 1.00 O ATOM 146 CB CYS A 10 9.132 10.958 -2.028 1.00 1.00 C ATOM 147 SG CYS A 10 10.679 10.347 -1.310 1.00 1.00 S ATOM 0 H CYS A 10 9.915 13.628 -3.187 1.00 1.00 H new ATOM 0 HA CYS A 10 7.750 12.555 -1.540 1.00 1.00 H new ATOM 0 HB2 CYS A 10 8.313 10.374 -1.607 1.00 1.00 H new ATOM 0 HB3 CYS A 10 9.154 10.751 -3.098 1.00 1.00 H new ATOM 152 N LYS A 11 9.540 12.504 0.429 1.00 1.00 N ATOM 153 CA LYS A 11 10.321 12.953 1.617 1.00 1.00 C ATOM 154 C LYS A 11 11.081 11.728 2.136 1.00 1.00 C ATOM 155 O LYS A 11 12.237 11.828 2.498 1.00 1.00 O ATOM 156 CB LYS A 11 9.353 13.493 2.668 1.00 1.00 C ATOM 157 CG LYS A 11 10.032 14.587 3.549 1.00 1.00 C ATOM 158 CD LYS A 11 10.176 14.206 5.048 1.00 1.00 C ATOM 159 CE LYS A 11 11.202 13.076 5.283 1.00 1.00 C ATOM 160 NZ LYS A 11 10.598 11.734 5.049 1.00 1.00 N ATOM 0 H LYS A 11 8.900 11.732 0.616 1.00 1.00 H new ATOM 0 HA LYS A 11 11.025 13.748 1.372 1.00 1.00 H new ATOM 0 HB2 LYS A 11 8.474 13.911 2.177 1.00 1.00 H new ATOM 0 HB3 LYS A 11 9.006 12.676 3.301 1.00 1.00 H new ATOM 0 HG2 LYS A 11 11.021 14.800 3.144 1.00 1.00 H new ATOM 0 HG3 LYS A 11 9.453 15.507 3.475 1.00 1.00 H new ATOM 0 HD2 LYS A 11 10.477 15.087 5.615 1.00 1.00 H new ATOM 0 HD3 LYS A 11 9.205 13.895 5.434 1.00 1.00 H new ATOM 0 HE2 LYS A 11 12.055 13.213 4.618 1.00 1.00 H new ATOM 0 HE3 LYS A 11 11.581 13.133 6.304 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 11.235 11.165 4.456 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 10.454 11.255 5.961 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 9.683 11.844 4.567 1.00 1.00 H new ATOM 174 N GLU A 12 10.391 10.610 2.154 1.00 1.00 N ATOM 175 CA GLU A 12 10.991 9.324 2.635 1.00 1.00 C ATOM 176 C GLU A 12 10.955 8.256 1.524 1.00 1.00 C ATOM 177 O GLU A 12 10.135 8.305 0.628 1.00 1.00 O ATOM 178 CB GLU A 12 10.180 8.828 3.857 1.00 1.00 C ATOM 179 CG GLU A 12 11.106 8.318 4.981 1.00 1.00 C ATOM 180 CD GLU A 12 11.994 7.151 4.516 1.00 1.00 C ATOM 181 OE1 GLU A 12 11.427 6.099 4.281 1.00 1.00 O ATOM 182 OE2 GLU A 12 13.190 7.373 4.418 1.00 1.00 O ATOM 0 H GLU A 12 9.420 10.535 1.850 1.00 1.00 H new ATOM 0 HA GLU A 12 12.031 9.494 2.912 1.00 1.00 H new ATOM 0 HB2 GLU A 12 9.559 9.639 4.236 1.00 1.00 H new ATOM 0 HB3 GLU A 12 9.507 8.028 3.548 1.00 1.00 H new ATOM 0 HG2 GLU A 12 11.737 9.136 5.329 1.00 1.00 H new ATOM 0 HG3 GLU A 12 10.502 7.997 5.830 1.00 1.00 H new ATOM 189 N ASN A 13 11.861 7.318 1.637 1.00 1.00 N ATOM 190 CA ASN A 13 11.986 6.192 0.667 1.00 1.00 C ATOM 191 C ASN A 13 10.703 5.365 0.580 1.00 1.00 C ATOM 192 O ASN A 13 10.238 5.069 -0.504 1.00 1.00 O ATOM 193 CB ASN A 13 13.159 5.316 1.108 1.00 1.00 C ATOM 194 CG ASN A 13 14.461 6.093 0.875 1.00 1.00 C ATOM 195 OD1 ASN A 13 14.737 7.082 1.525 1.00 1.00 O ATOM 196 ND2 ASN A 13 15.284 5.678 -0.049 1.00 1.00 N ATOM 0 H ASN A 13 12.545 7.288 2.393 1.00 1.00 H new ATOM 0 HA ASN A 13 12.162 6.597 -0.329 1.00 1.00 H new ATOM 0 HB2 ASN A 13 13.059 5.051 2.161 1.00 1.00 H new ATOM 0 HB3 ASN A 13 13.168 4.383 0.544 1.00 1.00 H new ATOM 0 HD21 ASN A 13 16.153 6.183 -0.222 1.00 1.00 H new ATOM 0 HD22 ASN A 13 15.058 4.849 -0.598 1.00 1.00 H new ATOM 203 N LYS A 14 10.182 5.031 1.737 1.00 1.00 N ATOM 204 CA LYS A 14 8.926 4.222 1.867 1.00 1.00 C ATOM 205 C LYS A 14 7.880 4.600 0.815 1.00 1.00 C ATOM 206 O LYS A 14 7.139 3.752 0.359 1.00 1.00 O ATOM 207 CB LYS A 14 8.353 4.436 3.282 1.00 1.00 C ATOM 208 CG LYS A 14 9.231 3.692 4.312 1.00 1.00 C ATOM 209 CD LYS A 14 8.989 2.162 4.214 1.00 1.00 C ATOM 210 CE LYS A 14 9.978 1.428 5.126 1.00 1.00 C ATOM 211 NZ LYS A 14 9.791 1.866 6.535 1.00 1.00 N ATOM 0 H LYS A 14 10.593 5.297 2.632 1.00 1.00 H new ATOM 0 HA LYS A 14 9.173 3.173 1.704 1.00 1.00 H new ATOM 0 HB2 LYS A 14 8.322 5.500 3.516 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.328 4.069 3.330 1.00 1.00 H new ATOM 0 HG2 LYS A 14 10.283 3.914 4.132 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.999 4.041 5.318 1.00 1.00 H new ATOM 0 HD2 LYS A 14 7.965 1.926 4.505 1.00 1.00 H new ATOM 0 HD3 LYS A 14 9.112 1.829 3.183 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.827 0.351 5.048 1.00 1.00 H new ATOM 0 HE3 LYS A 14 11.000 1.631 4.806 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 10.271 1.199 7.172 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 10.195 2.816 6.660 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 8.776 1.890 6.759 1.00 1.00 H new ATOM 225 N ASP A 15 7.875 5.870 0.481 1.00 1.00 N ATOM 226 CA ASP A 15 6.926 6.431 -0.537 1.00 1.00 C ATOM 227 C ASP A 15 6.717 5.483 -1.730 1.00 1.00 C ATOM 228 O ASP A 15 5.610 5.319 -2.205 1.00 1.00 O ATOM 229 CB ASP A 15 7.487 7.789 -1.017 1.00 1.00 C ATOM 230 CG ASP A 15 6.532 8.450 -2.035 1.00 1.00 C ATOM 231 OD1 ASP A 15 5.385 8.652 -1.667 1.00 1.00 O ATOM 232 OD2 ASP A 15 7.000 8.721 -3.128 1.00 1.00 O ATOM 0 H ASP A 15 8.508 6.561 0.884 1.00 1.00 H new ATOM 0 HA ASP A 15 5.948 6.558 -0.073 1.00 1.00 H new ATOM 0 HB2 ASP A 15 7.629 8.451 -0.163 1.00 1.00 H new ATOM 0 HB3 ASP A 15 8.466 7.642 -1.473 1.00 1.00 H new ATOM 237 N CYS A 16 7.802 4.898 -2.168 1.00 1.00 N ATOM 238 CA CYS A 16 7.791 3.947 -3.307 1.00 1.00 C ATOM 239 C CYS A 16 8.086 2.533 -2.800 1.00 1.00 C ATOM 240 O CYS A 16 8.779 2.378 -1.815 1.00 1.00 O ATOM 241 CB CYS A 16 8.861 4.373 -4.298 1.00 1.00 C ATOM 242 SG CYS A 16 8.330 5.495 -5.615 1.00 1.00 S ATOM 0 H CYS A 16 8.726 5.050 -1.764 1.00 1.00 H new ATOM 0 HA CYS A 16 6.814 3.950 -3.790 1.00 1.00 H new ATOM 0 HB2 CYS A 16 9.669 4.852 -3.745 1.00 1.00 H new ATOM 0 HB3 CYS A 16 9.278 3.477 -4.758 1.00 1.00 H new ATOM 247 N CYS A 17 7.561 1.541 -3.480 1.00 1.00 N ATOM 248 CA CYS A 17 7.787 0.136 -3.087 1.00 1.00 C ATOM 249 C CYS A 17 9.280 -0.148 -3.284 1.00 1.00 C ATOM 250 O CYS A 17 9.878 -0.911 -2.551 1.00 1.00 O ATOM 251 CB CYS A 17 6.928 -0.742 -3.979 1.00 1.00 C ATOM 252 SG CYS A 17 7.464 -1.131 -5.665 1.00 1.00 S ATOM 0 H CYS A 17 6.975 1.661 -4.306 1.00 1.00 H new ATOM 0 HA CYS A 17 7.517 -0.063 -2.050 1.00 1.00 H new ATOM 0 HB2 CYS A 17 6.785 -1.689 -3.459 1.00 1.00 H new ATOM 0 HB3 CYS A 17 5.949 -0.268 -4.053 1.00 1.00 H new ATOM 257 N SER A 18 9.824 0.494 -4.291 1.00 1.00 N ATOM 258 CA SER A 18 11.253 0.361 -4.639 1.00 1.00 C ATOM 259 C SER A 18 12.115 1.059 -3.568 1.00 1.00 C ATOM 260 O SER A 18 13.324 0.959 -3.594 1.00 1.00 O ATOM 261 CB SER A 18 11.460 0.996 -6.020 1.00 1.00 C ATOM 262 OG SER A 18 11.021 2.339 -5.878 1.00 1.00 O ATOM 0 H SER A 18 9.306 1.126 -4.902 1.00 1.00 H new ATOM 0 HA SER A 18 11.553 -0.686 -4.672 1.00 1.00 H new ATOM 0 HB2 SER A 18 12.507 0.953 -6.321 1.00 1.00 H new ATOM 0 HB3 SER A 18 10.887 0.472 -6.785 1.00 1.00 H new ATOM 0 HG SER A 18 11.797 2.938 -5.873 1.00 1.00 H new ATOM 268 N LYS A 19 11.435 1.734 -2.667 1.00 1.00 N ATOM 269 CA LYS A 19 12.048 2.494 -1.535 1.00 1.00 C ATOM 270 C LYS A 19 13.444 3.083 -1.794 1.00 1.00 C ATOM 271 O LYS A 19 14.308 3.041 -0.937 1.00 1.00 O ATOM 272 CB LYS A 19 12.095 1.554 -0.316 1.00 1.00 C ATOM 273 CG LYS A 19 10.662 1.140 0.081 1.00 1.00 C ATOM 274 CD LYS A 19 10.637 0.323 1.390 1.00 1.00 C ATOM 275 CE LYS A 19 11.422 -1.001 1.267 1.00 1.00 C ATOM 276 NZ LYS A 19 12.891 -0.746 1.238 1.00 1.00 N ATOM 0 H LYS A 19 10.416 1.788 -2.678 1.00 1.00 H new ATOM 0 HA LYS A 19 11.419 3.370 -1.375 1.00 1.00 H new ATOM 0 HB2 LYS A 19 12.687 0.669 -0.550 1.00 1.00 H new ATOM 0 HB3 LYS A 19 12.584 2.053 0.521 1.00 1.00 H new ATOM 0 HG2 LYS A 19 10.047 2.032 0.199 1.00 1.00 H new ATOM 0 HG3 LYS A 19 10.219 0.551 -0.722 1.00 1.00 H new ATOM 0 HD2 LYS A 19 11.060 0.921 2.197 1.00 1.00 H new ATOM 0 HD3 LYS A 19 9.604 0.107 1.662 1.00 1.00 H new ATOM 0 HE2 LYS A 19 11.178 -1.653 2.106 1.00 1.00 H new ATOM 0 HE3 LYS A 19 11.121 -1.524 0.359 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 13.260 -0.948 0.287 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 13.075 0.249 1.476 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 13.364 -1.361 1.931 1.00 1.00 H new ATOM 290 N LYS A 20 13.620 3.619 -2.977 1.00 1.00 N ATOM 291 CA LYS A 20 14.936 4.228 -3.332 1.00 1.00 C ATOM 292 C LYS A 20 14.658 5.660 -3.777 1.00 1.00 C ATOM 293 O LYS A 20 14.900 6.047 -4.901 1.00 1.00 O ATOM 294 CB LYS A 20 15.621 3.385 -4.476 1.00 1.00 C ATOM 295 CG LYS A 20 16.790 2.542 -3.920 1.00 1.00 C ATOM 296 CD LYS A 20 16.271 1.379 -3.059 1.00 1.00 C ATOM 297 CE LYS A 20 17.451 0.661 -2.408 1.00 1.00 C ATOM 298 NZ LYS A 20 16.946 -0.426 -1.525 1.00 1.00 N ATOM 0 H LYS A 20 12.911 3.660 -3.709 1.00 1.00 H new ATOM 0 HA LYS A 20 15.621 4.232 -2.484 1.00 1.00 H new ATOM 0 HB2 LYS A 20 14.884 2.730 -4.940 1.00 1.00 H new ATOM 0 HB3 LYS A 20 15.988 4.053 -5.255 1.00 1.00 H new ATOM 0 HG2 LYS A 20 17.385 2.151 -4.745 1.00 1.00 H new ATOM 0 HG3 LYS A 20 17.448 3.175 -3.324 1.00 1.00 H new ATOM 0 HD2 LYS A 20 15.592 1.754 -2.293 1.00 1.00 H new ATOM 0 HD3 LYS A 20 15.702 0.682 -3.675 1.00 1.00 H new ATOM 0 HE2 LYS A 20 18.106 0.246 -3.175 1.00 1.00 H new ATOM 0 HE3 LYS A 20 18.046 1.368 -1.829 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 17.750 -0.915 -1.082 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 16.338 -0.019 -0.786 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 16.397 -1.105 -2.090 1.00 1.00 H new ATOM 312 N CYS A 21 14.147 6.425 -2.851 1.00 1.00 N ATOM 313 CA CYS A 21 13.837 7.848 -3.179 1.00 1.00 C ATOM 314 C CYS A 21 14.980 8.658 -2.580 1.00 1.00 C ATOM 315 O CYS A 21 15.292 8.508 -1.414 1.00 1.00 O ATOM 316 CB CYS A 21 12.486 8.245 -2.564 1.00 1.00 C ATOM 317 SG CYS A 21 11.916 9.939 -2.853 1.00 1.00 S ATOM 0 H CYS A 21 13.933 6.134 -1.897 1.00 1.00 H new ATOM 0 HA CYS A 21 13.754 8.021 -4.252 1.00 1.00 H new ATOM 0 HB2 CYS A 21 11.727 7.563 -2.946 1.00 1.00 H new ATOM 0 HB3 CYS A 21 12.545 8.087 -1.487 1.00 1.00 H new ATOM 322 N LYS A 22 15.565 9.491 -3.408 1.00 1.00 N ATOM 323 CA LYS A 22 16.721 10.336 -2.933 1.00 1.00 C ATOM 324 C LYS A 22 16.690 11.801 -3.345 1.00 1.00 C ATOM 325 O LYS A 22 16.090 12.156 -4.340 1.00 1.00 O ATOM 326 CB LYS A 22 18.034 9.721 -3.444 1.00 1.00 C ATOM 327 CG LYS A 22 18.341 8.412 -2.671 1.00 1.00 C ATOM 328 CD LYS A 22 19.836 8.355 -2.293 1.00 1.00 C ATOM 329 CE LYS A 22 20.165 9.503 -1.306 1.00 1.00 C ATOM 330 NZ LYS A 22 21.565 9.371 -0.825 1.00 1.00 N ATOM 0 H LYS A 22 15.300 9.626 -4.384 1.00 1.00 H new ATOM 0 HA LYS A 22 16.641 10.333 -1.846 1.00 1.00 H new ATOM 0 HB2 LYS A 22 17.957 9.514 -4.511 1.00 1.00 H new ATOM 0 HB3 LYS A 22 18.852 10.430 -3.315 1.00 1.00 H new ATOM 0 HG2 LYS A 22 17.729 8.360 -1.771 1.00 1.00 H new ATOM 0 HG3 LYS A 22 18.080 7.549 -3.284 1.00 1.00 H new ATOM 0 HD2 LYS A 22 20.070 7.392 -1.839 1.00 1.00 H new ATOM 0 HD3 LYS A 22 20.452 8.443 -3.188 1.00 1.00 H new ATOM 0 HE2 LYS A 22 20.029 10.467 -1.797 1.00 1.00 H new ATOM 0 HE3 LYS A 22 19.477 9.476 -0.461 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 21.779 10.144 -0.163 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 21.681 8.458 -0.340 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 22.216 9.418 -1.635 1.00 1.00 H new ATOM 344 N ARG A 23 17.360 12.607 -2.554 1.00 1.00 N ATOM 345 CA ARG A 23 17.419 14.060 -2.829 1.00 1.00 C ATOM 346 C ARG A 23 18.817 14.532 -3.266 1.00 1.00 C ATOM 347 O ARG A 23 19.739 14.617 -2.479 1.00 1.00 O ATOM 348 CB ARG A 23 16.999 14.833 -1.558 1.00 1.00 C ATOM 349 CG ARG A 23 16.181 16.039 -1.970 1.00 1.00 C ATOM 350 CD ARG A 23 16.832 16.997 -2.992 1.00 1.00 C ATOM 351 NE ARG A 23 16.619 16.471 -4.379 1.00 1.00 N ATOM 352 CZ ARG A 23 15.790 17.045 -5.213 1.00 1.00 C ATOM 353 NH1 ARG A 23 15.742 18.346 -5.309 1.00 1.00 N ATOM 354 NH2 ARG A 23 15.021 16.279 -5.936 1.00 1.00 N ATOM 0 H ARG A 23 17.870 12.307 -1.723 1.00 1.00 H new ATOM 0 HA ARG A 23 16.737 14.260 -3.656 1.00 1.00 H new ATOM 0 HB2 ARG A 23 16.417 14.189 -0.899 1.00 1.00 H new ATOM 0 HB3 ARG A 23 17.880 15.147 -0.999 1.00 1.00 H new ATOM 0 HG2 ARG A 23 15.238 15.685 -2.387 1.00 1.00 H new ATOM 0 HG3 ARG A 23 15.939 16.610 -1.073 1.00 1.00 H new ATOM 0 HD2 ARG A 23 16.399 17.993 -2.899 1.00 1.00 H new ATOM 0 HD3 ARG A 23 17.898 17.093 -2.788 1.00 1.00 H new ATOM 0 HE ARG A 23 17.134 15.644 -4.681 1.00 1.00 H new ATOM 0 HH11 ARG A 23 16.354 18.923 -4.731 1.00 1.00 H new ATOM 0 HH12 ARG A 23 15.093 18.786 -5.962 1.00 1.00 H new ATOM 0 HH21 ARG A 23 15.077 15.265 -5.841 1.00 1.00 H new ATOM 0 HH22 ARG A 23 14.363 16.694 -6.596 1.00 1.00 H new ATOM 368 N ARG A 24 18.898 14.821 -4.538 1.00 1.00 N ATOM 369 CA ARG A 24 20.152 15.311 -5.188 1.00 1.00 C ATOM 370 C ARG A 24 19.906 16.793 -5.520 1.00 1.00 C ATOM 371 O ARG A 24 20.058 17.282 -6.622 1.00 1.00 O ATOM 372 CB ARG A 24 20.417 14.434 -6.463 1.00 1.00 C ATOM 373 CG ARG A 24 19.106 13.932 -7.161 1.00 1.00 C ATOM 374 CD ARG A 24 18.195 15.079 -7.643 1.00 1.00 C ATOM 375 NE ARG A 24 18.923 15.857 -8.689 1.00 1.00 N ATOM 376 CZ ARG A 24 18.414 15.977 -9.884 1.00 1.00 C ATOM 377 NH1 ARG A 24 18.697 15.075 -10.783 1.00 1.00 N ATOM 378 NH2 ARG A 24 17.639 16.995 -10.140 1.00 1.00 N ATOM 0 H ARG A 24 18.111 14.733 -5.181 1.00 1.00 H new ATOM 0 HA ARG A 24 21.036 15.229 -4.556 1.00 1.00 H new ATOM 0 HB2 ARG A 24 21.001 15.014 -7.178 1.00 1.00 H new ATOM 0 HB3 ARG A 24 21.022 13.572 -6.182 1.00 1.00 H new ATOM 0 HG2 ARG A 24 19.373 13.306 -8.013 1.00 1.00 H new ATOM 0 HG3 ARG A 24 18.550 13.303 -6.466 1.00 1.00 H new ATOM 0 HD2 ARG A 24 17.265 14.679 -8.047 1.00 1.00 H new ATOM 0 HD3 ARG A 24 17.927 15.726 -6.808 1.00 1.00 H new ATOM 0 HE ARG A 24 19.818 16.294 -8.469 1.00 1.00 H new ATOM 0 HH11 ARG A 24 19.307 14.293 -10.546 1.00 1.00 H new ATOM 0 HH12 ARG A 24 18.308 15.152 -11.723 1.00 1.00 H new ATOM 0 HH21 ARG A 24 17.440 17.681 -9.411 1.00 1.00 H new ATOM 0 HH22 ARG A 24 17.232 17.105 -11.069 1.00 1.00 H new ATOM 392 N GLY A 25 19.519 17.435 -4.451 1.00 1.00 N ATOM 393 CA GLY A 25 19.182 18.864 -4.369 1.00 1.00 C ATOM 394 C GLY A 25 19.579 19.434 -3.013 1.00 1.00 C ATOM 395 O GLY A 25 20.361 18.854 -2.283 1.00 1.00 O ATOM 0 H GLY A 25 19.419 16.963 -3.552 1.00 1.00 H new ATOM 0 HA2 GLY A 25 19.693 19.409 -5.162 1.00 1.00 H new ATOM 0 HA3 GLY A 25 18.112 19.000 -4.527 1.00 1.00 H new ATOM 399 N THR A 26 19.004 20.573 -2.738 1.00 1.00 N ATOM 400 CA THR A 26 19.251 21.297 -1.468 1.00 1.00 C ATOM 401 C THR A 26 18.112 20.966 -0.502 1.00 1.00 C ATOM 402 O THR A 26 18.347 20.494 0.593 1.00 1.00 O ATOM 403 CB THR A 26 19.297 22.813 -1.758 1.00 1.00 C ATOM 404 OG1 THR A 26 20.370 22.964 -2.678 1.00 1.00 O ATOM 405 CG2 THR A 26 19.745 23.612 -0.520 1.00 1.00 C ATOM 0 H THR A 26 18.352 21.043 -3.366 1.00 1.00 H new ATOM 0 HA THR A 26 20.200 20.999 -1.023 1.00 1.00 H new ATOM 0 HB THR A 26 18.317 23.157 -2.090 1.00 1.00 H new ATOM 0 HG1 THR A 26 20.465 23.910 -2.917 1.00 1.00 H new ATOM 0 HG21 THR A 26 19.766 24.675 -0.761 1.00 1.00 H new ATOM 0 HG22 THR A 26 19.045 23.439 0.298 1.00 1.00 H new ATOM 0 HG23 THR A 26 20.742 23.289 -0.219 1.00 1.00 H new ATOM 413 N ASN A 27 16.909 21.227 -0.948 1.00 1.00 N ATOM 414 CA ASN A 27 15.703 20.945 -0.096 1.00 1.00 C ATOM 415 C ASN A 27 15.515 19.418 -0.010 1.00 1.00 C ATOM 416 O ASN A 27 16.157 18.713 -0.756 1.00 1.00 O ATOM 417 CB ASN A 27 14.482 21.627 -0.743 1.00 1.00 C ATOM 418 CG ASN A 27 14.704 23.145 -0.747 1.00 1.00 C ATOM 419 OD1 ASN A 27 14.799 23.778 0.286 1.00 1.00 O ATOM 420 ND2 ASN A 27 14.793 23.765 -1.891 1.00 1.00 N ATOM 0 H ASN A 27 16.705 21.624 -1.865 1.00 1.00 H new ATOM 0 HA ASN A 27 15.825 21.336 0.914 1.00 1.00 H new ATOM 0 HB2 ASN A 27 14.343 21.264 -1.761 1.00 1.00 H new ATOM 0 HB3 ASN A 27 13.576 21.380 -0.190 1.00 1.00 H new ATOM 0 HD21 ASN A 27 14.941 24.774 -1.914 1.00 1.00 H new ATOM 0 HD22 ASN A 27 14.714 23.241 -2.763 1.00 1.00 H new ATOM 427 N ILE A 28 14.673 18.939 0.874 1.00 1.00 N ATOM 428 CA ILE A 28 14.443 17.452 1.014 1.00 1.00 C ATOM 429 C ILE A 28 13.667 16.794 -0.121 1.00 1.00 C ATOM 430 O ILE A 28 13.939 15.654 -0.440 1.00 1.00 O ATOM 431 CB ILE A 28 13.699 17.152 2.305 1.00 1.00 C ATOM 432 CG1 ILE A 28 14.478 17.797 3.458 1.00 1.00 C ATOM 433 CG2 ILE A 28 13.702 15.589 2.498 1.00 1.00 C ATOM 434 CD1 ILE A 28 13.526 17.961 4.642 1.00 1.00 C ATOM 0 H ILE A 28 14.126 19.515 1.514 1.00 1.00 H new ATOM 0 HA ILE A 28 15.448 17.031 1.000 1.00 1.00 H new ATOM 0 HB ILE A 28 12.679 17.534 2.280 1.00 1.00 H new ATOM 0 HG12 ILE A 28 15.329 17.175 3.737 1.00 1.00 H new ATOM 0 HG13 ILE A 28 14.877 18.765 3.153 1.00 1.00 H new ATOM 0 HG21 ILE A 28 13.175 15.335 3.418 1.00 1.00 H new ATOM 0 HG22 ILE A 28 13.203 15.117 1.652 1.00 1.00 H new ATOM 0 HG23 ILE A 28 14.730 15.232 2.558 1.00 1.00 H new ATOM 0 HD11 ILE A 28 14.058 18.419 5.476 1.00 1.00 H new ATOM 0 HD12 ILE A 28 12.690 18.598 4.351 1.00 1.00 H new ATOM 0 HD13 ILE A 28 13.150 16.984 4.944 1.00 1.00 H new ATOM 446 N GLU A 29 12.723 17.523 -0.660 1.00 1.00 N ATOM 447 CA GLU A 29 11.866 17.037 -1.789 1.00 1.00 C ATOM 448 C GLU A 29 12.702 16.212 -2.792 1.00 1.00 C ATOM 449 O GLU A 29 13.291 16.699 -3.735 1.00 1.00 O ATOM 450 CB GLU A 29 11.197 18.303 -2.436 1.00 1.00 C ATOM 451 CG GLU A 29 12.130 19.550 -2.446 1.00 1.00 C ATOM 452 CD GLU A 29 13.288 19.368 -3.439 1.00 1.00 C ATOM 453 OE1 GLU A 29 13.006 19.375 -4.627 1.00 1.00 O ATOM 454 OE2 GLU A 29 14.395 19.225 -2.952 1.00 1.00 O ATOM 0 H GLU A 29 12.502 18.470 -0.353 1.00 1.00 H new ATOM 0 HA GLU A 29 11.086 16.361 -1.440 1.00 1.00 H new ATOM 0 HB2 GLU A 29 10.903 18.068 -3.459 1.00 1.00 H new ATOM 0 HB3 GLU A 29 10.285 18.544 -1.890 1.00 1.00 H new ATOM 0 HG2 GLU A 29 11.554 20.436 -2.713 1.00 1.00 H new ATOM 0 HG3 GLU A 29 12.528 19.718 -1.445 1.00 1.00 H new ATOM 461 N LYS A 30 12.701 14.936 -2.513 1.00 1.00 N ATOM 462 CA LYS A 30 13.451 13.927 -3.322 1.00 1.00 C ATOM 463 C LYS A 30 12.622 13.250 -4.394 1.00 1.00 C ATOM 464 O LYS A 30 11.426 13.430 -4.449 1.00 1.00 O ATOM 465 CB LYS A 30 14.025 12.890 -2.327 1.00 1.00 C ATOM 466 CG LYS A 30 13.016 12.487 -1.244 1.00 1.00 C ATOM 467 CD LYS A 30 13.570 11.300 -0.411 1.00 1.00 C ATOM 468 CE LYS A 30 14.854 11.693 0.350 1.00 1.00 C ATOM 469 NZ LYS A 30 14.594 12.854 1.249 1.00 1.00 N ATOM 0 H LYS A 30 12.191 14.535 -1.726 1.00 1.00 H new ATOM 0 HA LYS A 30 14.238 14.440 -3.875 1.00 1.00 H new ATOM 0 HB2 LYS A 30 14.338 12.001 -2.875 1.00 1.00 H new ATOM 0 HB3 LYS A 30 14.916 13.302 -1.853 1.00 1.00 H new ATOM 0 HG2 LYS A 30 12.814 13.336 -0.591 1.00 1.00 H new ATOM 0 HG3 LYS A 30 12.069 12.207 -1.705 1.00 1.00 H new ATOM 0 HD2 LYS A 30 12.813 10.968 0.299 1.00 1.00 H new ATOM 0 HD3 LYS A 30 13.780 10.458 -1.071 1.00 1.00 H new ATOM 0 HE2 LYS A 30 15.211 10.845 0.935 1.00 1.00 H new ATOM 0 HE3 LYS A 30 15.642 11.945 -0.360 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 15.382 12.957 1.920 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 14.508 13.721 0.681 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 13.711 12.695 1.775 1.00 1.00 H new ATOM 483 N ARG A 31 13.297 12.482 -5.213 1.00 1.00 N ATOM 484 CA ARG A 31 12.626 11.759 -6.316 1.00 1.00 C ATOM 485 C ARG A 31 12.566 10.286 -5.952 1.00 1.00 C ATOM 486 O ARG A 31 13.411 9.809 -5.217 1.00 1.00 O ATOM 487 CB ARG A 31 13.423 11.949 -7.623 1.00 1.00 C ATOM 488 CG ARG A 31 13.625 13.436 -7.934 1.00 1.00 C ATOM 489 CD ARG A 31 12.290 14.122 -8.266 1.00 1.00 C ATOM 490 NE ARG A 31 12.533 15.597 -8.235 1.00 1.00 N ATOM 491 CZ ARG A 31 11.940 16.346 -7.341 1.00 1.00 C ATOM 492 NH1 ARG A 31 12.000 16.009 -6.081 1.00 1.00 N ATOM 493 NH2 ARG A 31 11.306 17.412 -7.740 1.00 1.00 N ATOM 0 H ARG A 31 14.304 12.328 -5.155 1.00 1.00 H new ATOM 0 HA ARG A 31 11.618 12.147 -6.465 1.00 1.00 H new ATOM 0 HB2 ARG A 31 14.392 11.457 -7.537 1.00 1.00 H new ATOM 0 HB3 ARG A 31 12.895 11.470 -8.448 1.00 1.00 H new ATOM 0 HG2 ARG A 31 14.087 13.929 -7.079 1.00 1.00 H new ATOM 0 HG3 ARG A 31 14.311 13.544 -8.774 1.00 1.00 H new ATOM 0 HD2 ARG A 31 11.931 13.811 -9.247 1.00 1.00 H new ATOM 0 HD3 ARG A 31 11.523 13.843 -7.543 1.00 1.00 H new ATOM 0 HE ARG A 31 13.164 16.022 -8.914 1.00 1.00 H new ATOM 0 HH11 ARG A 31 12.506 15.169 -5.801 1.00 1.00 H new ATOM 0 HH12 ARG A 31 11.541 16.586 -5.376 1.00 1.00 H new ATOM 0 HH21 ARG A 31 11.279 17.648 -8.732 1.00 1.00 H new ATOM 0 HH22 ARG A 31 10.837 18.010 -7.060 1.00 1.00 H new ATOM 507 N CYS A 32 11.566 9.657 -6.524 1.00 1.00 N ATOM 508 CA CYS A 32 11.254 8.205 -6.329 1.00 1.00 C ATOM 509 C CYS A 32 11.920 7.174 -7.269 1.00 1.00 C ATOM 510 O CYS A 32 11.414 6.891 -8.338 1.00 1.00 O ATOM 511 CB CYS A 32 9.711 8.077 -6.419 1.00 1.00 C ATOM 512 SG CYS A 32 8.788 7.373 -5.030 1.00 1.00 S ATOM 0 H CYS A 32 10.916 10.124 -7.156 1.00 1.00 H new ATOM 0 HA CYS A 32 11.685 7.938 -5.364 1.00 1.00 H new ATOM 0 HB2 CYS A 32 9.312 9.074 -6.604 1.00 1.00 H new ATOM 0 HB3 CYS A 32 9.485 7.475 -7.299 1.00 1.00 H new ATOM 517 N ARG A 33 13.039 6.636 -6.850 1.00 1.00 N ATOM 518 CA ARG A 33 13.761 5.618 -7.679 1.00 1.00 C ATOM 519 C ARG A 33 13.725 4.244 -6.956 1.00 1.00 C ATOM 520 O ARG A 33 13.114 4.169 -5.896 1.00 1.00 O ATOM 521 CB ARG A 33 15.213 6.110 -7.883 1.00 1.00 C ATOM 522 CG ARG A 33 15.192 7.434 -8.671 1.00 1.00 C ATOM 523 CD ARG A 33 16.586 8.064 -8.693 1.00 1.00 C ATOM 524 NE ARG A 33 16.976 8.397 -7.290 1.00 1.00 N ATOM 525 CZ ARG A 33 17.124 9.644 -6.938 1.00 1.00 C ATOM 526 NH1 ARG A 33 18.273 10.232 -7.131 1.00 1.00 N ATOM 527 NH2 ARG A 33 16.109 10.261 -6.403 1.00 1.00 N ATOM 528 OXT ARG A 33 14.312 3.327 -7.508 1.00 1.00 O ATOM 0 H ARG A 33 13.488 6.860 -5.962 1.00 1.00 H new ATOM 0 HA ARG A 33 13.285 5.494 -8.652 1.00 1.00 H new ATOM 0 HB2 ARG A 33 15.700 6.254 -6.919 1.00 1.00 H new ATOM 0 HB3 ARG A 33 15.791 5.360 -8.423 1.00 1.00 H new ATOM 0 HG2 ARG A 33 14.852 7.252 -9.691 1.00 1.00 H new ATOM 0 HG3 ARG A 33 14.481 8.124 -8.216 1.00 1.00 H new ATOM 0 HD2 ARG A 33 17.307 7.375 -9.133 1.00 1.00 H new ATOM 0 HD3 ARG A 33 16.586 8.963 -9.310 1.00 1.00 H new ATOM 0 HE ARG A 33 17.126 7.652 -6.610 1.00 1.00 H new ATOM 0 HH11 ARG A 33 19.045 9.717 -7.554 1.00 1.00 H new ATOM 0 HH12 ARG A 33 18.399 11.207 -6.859 1.00 1.00 H new ATOM 0 HH21 ARG A 33 15.226 9.769 -6.269 1.00 1.00 H new ATOM 0 HH22 ARG A 33 16.197 11.237 -6.119 1.00 1.00 H new TER 542 ARG A 33