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 Single : A 1 GLY N :NH3+ 178:sc= 0.182 (180deg=0.114) USER MOD Single : A 6 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-6.5!) 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 13 ASN : amide:sc= -1.19! C(o=-1.2!,f=-3.7!) USER MOD Single : A 14 LYS NZ :NH3+ -132:sc= -1.9 (180deg=-4.71!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -137:sc= -1.98! (180deg=-4.78!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 145:sc= -0.323 (180deg=-0.71) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0968 K(o=-0.097,f=-2.5!) USER MOD Single : A 30 LYS NZ :NH3+ -111:sc= -6.48! (180deg=-8.68!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.272 1.107 0.606 1.00 1.00 N ATOM 2 CA GLY A 1 1.609 0.442 0.591 1.00 1.00 C ATOM 3 C GLY A 1 2.503 1.057 -0.459 1.00 1.00 C ATOM 4 O GLY A 1 3.202 0.387 -1.194 1.00 1.00 O ATOM 0 H1 GLY A 1 -0.337 0.646 1.312 1.00 1.00 H new ATOM 0 H2 GLY A 1 0.387 2.111 0.851 1.00 1.00 H new ATOM 0 H3 GLY A 1 -0.166 1.027 -0.334 1.00 1.00 H new ATOM 0 HA2 GLY A 1 2.076 0.533 1.571 1.00 1.00 H new ATOM 0 HA3 GLY A 1 1.488 -0.623 0.393 1.00 1.00 H new ATOM 10 N ASP A 2 2.416 2.350 -0.457 1.00 1.00 N ATOM 11 CA ASP A 2 3.186 3.202 -1.386 1.00 1.00 C ATOM 12 C ASP A 2 3.978 4.309 -0.718 1.00 1.00 C ATOM 13 O ASP A 2 3.660 4.774 0.355 1.00 1.00 O ATOM 14 CB ASP A 2 2.220 3.799 -2.406 1.00 1.00 C ATOM 15 CG ASP A 2 1.069 4.647 -1.816 1.00 1.00 C ATOM 16 OD1 ASP A 2 0.851 4.601 -0.618 1.00 1.00 O ATOM 17 OD2 ASP A 2 0.449 5.310 -2.631 1.00 1.00 O ATOM 0 H ASP A 2 1.815 2.872 0.181 1.00 1.00 H new ATOM 0 HA ASP A 2 3.930 2.561 -1.859 1.00 1.00 H new ATOM 0 HB2 ASP A 2 2.788 4.421 -3.098 1.00 1.00 H new ATOM 0 HB3 ASP A 2 1.787 2.986 -2.989 1.00 1.00 H new ATOM 22 N CYS A 3 4.992 4.704 -1.431 1.00 1.00 N ATOM 23 CA CYS A 3 5.917 5.768 -0.970 1.00 1.00 C ATOM 24 C CYS A 3 5.309 7.165 -1.104 1.00 1.00 C ATOM 25 O CYS A 3 5.672 7.952 -1.959 1.00 1.00 O ATOM 26 CB CYS A 3 7.185 5.591 -1.800 1.00 1.00 C ATOM 27 SG CYS A 3 8.038 3.995 -1.678 1.00 1.00 S ATOM 0 H CYS A 3 5.224 4.318 -2.346 1.00 1.00 H new ATOM 0 HA CYS A 3 6.132 5.678 0.095 1.00 1.00 H new ATOM 0 HB2 CYS A 3 6.930 5.759 -2.846 1.00 1.00 H new ATOM 0 HB3 CYS A 3 7.888 6.373 -1.514 1.00 1.00 H new ATOM 32 N LEU A 4 4.377 7.411 -0.218 1.00 1.00 N ATOM 33 CA LEU A 4 3.667 8.727 -0.184 1.00 1.00 C ATOM 34 C LEU A 4 4.690 9.772 0.309 1.00 1.00 C ATOM 35 O LEU A 4 5.620 9.404 1.001 1.00 1.00 O ATOM 36 CB LEU A 4 2.476 8.599 0.793 1.00 1.00 C ATOM 37 CG LEU A 4 1.459 7.560 0.247 1.00 1.00 C ATOM 38 CD1 LEU A 4 0.504 7.101 1.371 1.00 1.00 C ATOM 39 CD2 LEU A 4 0.621 8.187 -0.889 1.00 1.00 C ATOM 0 H LEU A 4 4.073 6.746 0.494 1.00 1.00 H new ATOM 0 HA LEU A 4 3.282 9.027 -1.159 1.00 1.00 H new ATOM 0 HB2 LEU A 4 2.832 8.292 1.776 1.00 1.00 H new ATOM 0 HB3 LEU A 4 1.990 9.567 0.918 1.00 1.00 H new ATOM 0 HG LEU A 4 2.016 6.703 -0.132 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -0.203 6.373 0.973 1.00 1.00 H new ATOM 0 HD12 LEU A 4 1.081 6.644 2.175 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -0.041 7.961 1.759 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -0.089 7.451 -1.266 1.00 1.00 H new ATOM 0 HD22 LEU A 4 0.079 9.052 -0.507 1.00 1.00 H new ATOM 0 HD23 LEU A 4 1.281 8.501 -1.697 1.00 1.00 H new ATOM 51 N PRO A 5 4.515 11.028 -0.042 1.00 1.00 N ATOM 52 CA PRO A 5 5.484 12.104 0.320 1.00 1.00 C ATOM 53 C PRO A 5 5.533 12.291 1.846 1.00 1.00 C ATOM 54 O PRO A 5 6.145 11.511 2.550 1.00 1.00 O ATOM 55 CB PRO A 5 4.962 13.326 -0.455 1.00 1.00 C ATOM 56 CG PRO A 5 3.432 13.065 -0.494 1.00 1.00 C ATOM 57 CD PRO A 5 3.361 11.564 -0.821 1.00 1.00 C ATOM 0 HA PRO A 5 6.520 11.893 0.054 1.00 1.00 H new ATOM 0 HB2 PRO A 5 5.202 14.261 0.051 1.00 1.00 H new ATOM 0 HB3 PRO A 5 5.390 13.386 -1.456 1.00 1.00 H new ATOM 0 HG2 PRO A 5 2.956 13.296 0.459 1.00 1.00 H new ATOM 0 HG3 PRO A 5 2.936 13.670 -1.253 1.00 1.00 H new ATOM 0 HD2 PRO A 5 2.415 11.121 -0.508 1.00 1.00 H new ATOM 0 HD3 PRO A 5 3.464 11.373 -1.889 1.00 1.00 H new ATOM 65 N HIS A 6 4.883 13.326 2.306 1.00 1.00 N ATOM 66 CA HIS A 6 4.846 13.619 3.767 1.00 1.00 C ATOM 67 C HIS A 6 3.967 12.581 4.487 1.00 1.00 C ATOM 68 O HIS A 6 3.272 11.803 3.864 1.00 1.00 O ATOM 69 CB HIS A 6 4.290 15.060 3.946 1.00 1.00 C ATOM 70 CG HIS A 6 4.150 15.434 5.432 1.00 1.00 C ATOM 71 ND1 HIS A 6 3.188 15.053 6.209 1.00 1.00 N ATOM 72 CD2 HIS A 6 4.955 16.205 6.253 1.00 1.00 C ATOM 73 CE1 HIS A 6 3.364 15.532 7.398 1.00 1.00 C ATOM 74 NE2 HIS A 6 4.452 16.256 7.471 1.00 1.00 N ATOM 0 H HIS A 6 4.370 13.988 1.724 1.00 1.00 H new ATOM 0 HA HIS A 6 5.842 13.558 4.205 1.00 1.00 H new ATOM 0 HB2 HIS A 6 4.954 15.770 3.453 1.00 1.00 H new ATOM 0 HB3 HIS A 6 3.319 15.139 3.458 1.00 1.00 H new ATOM 0 HD2 HIS A 6 5.865 16.695 5.941 1.00 1.00 H new ATOM 0 HE1 HIS A 6 2.696 15.356 8.228 1.00 1.00 H new ATOM 0 HE2 HIS A 6 4.825 16.747 8.283 1.00 1.00 H new ATOM 82 N LEU A 7 4.073 12.634 5.787 1.00 1.00 N ATOM 83 CA LEU A 7 3.344 11.772 6.757 1.00 1.00 C ATOM 84 C LEU A 7 1.886 12.256 6.704 1.00 1.00 C ATOM 85 O LEU A 7 1.385 12.831 7.648 1.00 1.00 O ATOM 86 CB LEU A 7 3.979 11.978 8.167 1.00 1.00 C ATOM 87 CG LEU A 7 5.518 12.206 8.121 1.00 1.00 C ATOM 88 CD1 LEU A 7 6.051 12.283 9.566 1.00 1.00 C ATOM 89 CD2 LEU A 7 6.250 11.084 7.357 1.00 1.00 C ATOM 0 H LEU A 7 4.692 13.301 6.248 1.00 1.00 H new ATOM 0 HA LEU A 7 3.398 10.707 6.531 1.00 1.00 H new ATOM 0 HB2 LEU A 7 3.506 12.833 8.649 1.00 1.00 H new ATOM 0 HB3 LEU A 7 3.766 11.106 8.785 1.00 1.00 H new ATOM 0 HG LEU A 7 5.708 13.138 7.588 1.00 1.00 H new ATOM 0 HD11 LEU A 7 7.129 12.443 9.548 1.00 1.00 H new ATOM 0 HD12 LEU A 7 5.570 13.111 10.088 1.00 1.00 H new ATOM 0 HD13 LEU A 7 5.831 11.350 10.085 1.00 1.00 H new ATOM 0 HD21 LEU A 7 7.321 11.286 7.351 1.00 1.00 H new ATOM 0 HD22 LEU A 7 6.064 10.129 7.847 1.00 1.00 H new ATOM 0 HD23 LEU A 7 5.883 11.043 6.331 1.00 1.00 H new ATOM 101 N LYS A 8 1.236 12.016 5.594 1.00 1.00 N ATOM 102 CA LYS A 8 -0.176 12.450 5.438 1.00 1.00 C ATOM 103 C LYS A 8 -1.130 11.631 6.301 1.00 1.00 C ATOM 104 O LYS A 8 -0.756 10.617 6.864 1.00 1.00 O ATOM 105 CB LYS A 8 -0.538 12.334 3.961 1.00 1.00 C ATOM 106 CG LYS A 8 -0.199 10.928 3.406 1.00 1.00 C ATOM 107 CD LYS A 8 -0.940 10.769 2.082 1.00 1.00 C ATOM 108 CE LYS A 8 -2.443 10.635 2.394 1.00 1.00 C ATOM 109 NZ LYS A 8 -3.226 11.609 1.587 1.00 1.00 N ATOM 0 H LYS A 8 1.630 11.534 4.786 1.00 1.00 H new ATOM 0 HA LYS A 8 -0.276 13.481 5.777 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -1.602 12.533 3.829 1.00 1.00 H new ATOM 0 HB3 LYS A 8 0.001 13.091 3.392 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.876 10.822 3.259 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -0.502 10.154 4.111 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -0.759 11.629 1.438 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -0.581 9.890 1.547 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -2.777 9.621 2.177 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -2.618 10.808 3.456 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -4.237 11.508 1.807 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -2.917 12.576 1.814 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -3.072 11.425 0.575 1.00 1.00 H new ATOM 123 N LEU A 9 -2.341 12.124 6.358 1.00 1.00 N ATOM 124 CA LEU A 9 -3.401 11.476 7.144 1.00 1.00 C ATOM 125 C LEU A 9 -3.864 10.160 6.519 1.00 1.00 C ATOM 126 O LEU A 9 -4.173 10.101 5.345 1.00 1.00 O ATOM 127 CB LEU A 9 -4.606 12.445 7.282 1.00 1.00 C ATOM 128 CG LEU A 9 -4.775 13.445 6.094 1.00 1.00 C ATOM 129 CD1 LEU A 9 -6.258 13.875 6.017 1.00 1.00 C ATOM 130 CD2 LEU A 9 -3.955 14.736 6.376 1.00 1.00 C ATOM 0 H LEU A 9 -2.634 12.973 5.874 1.00 1.00 H new ATOM 0 HA LEU A 9 -2.990 11.242 8.126 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -5.519 11.857 7.378 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -4.494 13.013 8.205 1.00 1.00 H new ATOM 0 HG LEU A 9 -4.441 12.963 5.175 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -6.392 14.574 5.191 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -6.883 12.997 5.854 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -6.546 14.357 6.951 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -4.075 15.432 5.546 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -4.314 15.202 7.294 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -2.901 14.481 6.486 1.00 1.00 H new ATOM 142 N CYS A 10 -3.891 9.147 7.347 1.00 1.00 N ATOM 143 CA CYS A 10 -4.311 7.801 6.934 1.00 1.00 C ATOM 144 C CYS A 10 -5.098 7.135 8.076 1.00 1.00 C ATOM 145 O CYS A 10 -5.335 7.731 9.114 1.00 1.00 O ATOM 146 CB CYS A 10 -3.077 6.929 6.580 1.00 1.00 C ATOM 147 SG CYS A 10 -2.367 5.943 7.919 1.00 1.00 S ATOM 0 H CYS A 10 -3.626 9.216 8.329 1.00 1.00 H new ATOM 0 HA CYS A 10 -4.944 7.888 6.051 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -3.359 6.253 5.772 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -2.298 7.584 6.190 1.00 1.00 H new ATOM 152 N LYS A 11 -5.462 5.903 7.811 1.00 1.00 N ATOM 153 CA LYS A 11 -6.236 5.054 8.770 1.00 1.00 C ATOM 154 C LYS A 11 -5.427 3.818 9.193 1.00 1.00 C ATOM 155 O LYS A 11 -5.496 3.406 10.334 1.00 1.00 O ATOM 156 CB LYS A 11 -7.573 4.584 8.129 1.00 1.00 C ATOM 157 CG LYS A 11 -7.413 4.177 6.637 1.00 1.00 C ATOM 158 CD LYS A 11 -8.214 5.181 5.786 1.00 1.00 C ATOM 159 CE LYS A 11 -7.673 6.610 6.000 1.00 1.00 C ATOM 160 NZ LYS A 11 -8.682 7.589 5.552 1.00 1.00 N ATOM 0 H LYS A 11 -5.244 5.434 6.932 1.00 1.00 H new ATOM 0 HA LYS A 11 -6.444 5.664 9.649 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -7.963 3.737 8.693 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -8.309 5.384 8.206 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -6.362 4.186 6.349 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -7.779 3.163 6.476 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -8.145 4.912 4.732 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -9.269 5.139 6.057 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -7.439 6.768 7.053 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -6.746 6.747 5.444 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -8.318 8.553 5.696 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -8.884 7.442 4.542 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -9.556 7.463 6.102 1.00 1.00 H new ATOM 174 N GLU A 12 -4.692 3.266 8.254 1.00 1.00 N ATOM 175 CA GLU A 12 -3.849 2.051 8.521 1.00 1.00 C ATOM 176 C GLU A 12 -2.363 2.328 8.208 1.00 1.00 C ATOM 177 O GLU A 12 -2.050 3.184 7.403 1.00 1.00 O ATOM 178 CB GLU A 12 -4.403 0.906 7.636 1.00 1.00 C ATOM 179 CG GLU A 12 -3.599 -0.418 7.752 1.00 1.00 C ATOM 180 CD GLU A 12 -3.757 -1.082 9.137 1.00 1.00 C ATOM 181 OE1 GLU A 12 -3.319 -0.486 10.108 1.00 1.00 O ATOM 182 OE2 GLU A 12 -4.314 -2.167 9.147 1.00 1.00 O ATOM 0 H GLU A 12 -4.639 3.612 7.296 1.00 1.00 H new ATOM 0 HA GLU A 12 -3.898 1.775 9.574 1.00 1.00 H new ATOM 0 HB2 GLU A 12 -5.441 0.716 7.911 1.00 1.00 H new ATOM 0 HB3 GLU A 12 -4.403 1.231 6.595 1.00 1.00 H new ATOM 0 HG2 GLU A 12 -3.932 -1.111 6.979 1.00 1.00 H new ATOM 0 HG3 GLU A 12 -2.544 -0.217 7.567 1.00 1.00 H new ATOM 189 N ASN A 13 -1.491 1.585 8.850 1.00 1.00 N ATOM 190 CA ASN A 13 -0.020 1.745 8.644 1.00 1.00 C ATOM 191 C ASN A 13 0.369 1.422 7.186 1.00 1.00 C ATOM 192 O ASN A 13 1.044 2.179 6.498 1.00 1.00 O ATOM 193 CB ASN A 13 0.717 0.811 9.644 1.00 1.00 C ATOM 194 CG ASN A 13 0.433 -0.673 9.370 1.00 1.00 C ATOM 195 OD1 ASN A 13 -0.666 -1.156 9.552 1.00 1.00 O ATOM 196 ND2 ASN A 13 1.399 -1.429 8.927 1.00 1.00 N ATOM 0 H ASN A 13 -1.746 0.860 9.521 1.00 1.00 H new ATOM 0 HA ASN A 13 0.271 2.779 8.828 1.00 1.00 H new ATOM 0 HB2 ASN A 13 1.790 0.991 9.583 1.00 1.00 H new ATOM 0 HB3 ASN A 13 0.410 1.056 10.661 1.00 1.00 H new ATOM 0 HD21 ASN A 13 1.228 -2.416 8.737 1.00 1.00 H new ATOM 0 HD22 ASN A 13 2.326 -1.033 8.771 1.00 1.00 H new ATOM 203 N LYS A 14 -0.126 0.269 6.800 1.00 1.00 N ATOM 204 CA LYS A 14 0.077 -0.317 5.442 1.00 1.00 C ATOM 205 C LYS A 14 0.025 0.765 4.370 1.00 1.00 C ATOM 206 O LYS A 14 0.681 0.642 3.358 1.00 1.00 O ATOM 207 CB LYS A 14 -1.021 -1.366 5.179 1.00 1.00 C ATOM 208 CG LYS A 14 -0.919 -2.510 6.221 1.00 1.00 C ATOM 209 CD LYS A 14 -2.075 -3.540 6.086 1.00 1.00 C ATOM 210 CE LYS A 14 -2.036 -4.299 4.739 1.00 1.00 C ATOM 211 NZ LYS A 14 -2.470 -3.424 3.612 1.00 1.00 N ATOM 0 H LYS A 14 -0.694 -0.318 7.411 1.00 1.00 H new ATOM 0 HA LYS A 14 1.060 -0.787 5.402 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -2.004 -0.898 5.235 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -0.917 -1.769 4.172 1.00 1.00 H new ATOM 0 HG2 LYS A 14 0.036 -3.022 6.102 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -0.930 -2.085 7.225 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.017 -4.257 6.905 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -3.030 -3.024 6.181 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -1.025 -4.662 4.552 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -2.684 -5.174 4.793 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -3.168 -3.929 3.030 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -2.898 -2.556 3.992 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -1.646 -3.177 3.028 1.00 1.00 H new ATOM 225 N ASP A 15 -0.760 1.782 4.641 1.00 1.00 N ATOM 226 CA ASP A 15 -0.930 2.935 3.710 1.00 1.00 C ATOM 227 C ASP A 15 0.365 3.362 3.023 1.00 1.00 C ATOM 228 O ASP A 15 0.331 3.731 1.867 1.00 1.00 O ATOM 229 CB ASP A 15 -1.503 4.146 4.488 1.00 1.00 C ATOM 230 CG ASP A 15 -1.708 5.371 3.557 1.00 1.00 C ATOM 231 OD1 ASP A 15 -2.144 5.168 2.434 1.00 1.00 O ATOM 232 OD2 ASP A 15 -1.418 6.459 4.026 1.00 1.00 O ATOM 0 H ASP A 15 -1.306 1.858 5.499 1.00 1.00 H new ATOM 0 HA ASP A 15 -1.614 2.602 2.929 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -2.454 3.871 4.944 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -0.826 4.413 5.299 1.00 1.00 H new ATOM 237 N CYS A 16 1.459 3.302 3.739 1.00 1.00 N ATOM 238 CA CYS A 16 2.757 3.715 3.114 1.00 1.00 C ATOM 239 C CYS A 16 3.696 2.543 2.762 1.00 1.00 C ATOM 240 O CYS A 16 3.527 1.455 3.269 1.00 1.00 O ATOM 241 CB CYS A 16 3.442 4.675 4.098 1.00 1.00 C ATOM 242 SG CYS A 16 3.233 6.448 3.776 1.00 1.00 S ATOM 0 H CYS A 16 1.514 2.992 4.709 1.00 1.00 H new ATOM 0 HA CYS A 16 2.539 4.189 2.157 1.00 1.00 H new ATOM 0 HB2 CYS A 16 3.066 4.463 5.099 1.00 1.00 H new ATOM 0 HB3 CYS A 16 4.509 4.453 4.105 1.00 1.00 H new ATOM 247 N CYS A 17 4.653 2.810 1.894 1.00 1.00 N ATOM 248 CA CYS A 17 5.669 1.814 1.436 1.00 1.00 C ATOM 249 C CYS A 17 6.337 1.251 2.691 1.00 1.00 C ATOM 250 O CYS A 17 6.600 0.072 2.823 1.00 1.00 O ATOM 251 CB CYS A 17 6.735 2.516 0.578 1.00 1.00 C ATOM 252 SG CYS A 17 6.643 2.599 -1.228 1.00 1.00 S ATOM 0 H CYS A 17 4.769 3.729 1.467 1.00 1.00 H new ATOM 0 HA CYS A 17 5.200 1.028 0.843 1.00 1.00 H new ATOM 0 HB2 CYS A 17 6.791 3.545 0.933 1.00 1.00 H new ATOM 0 HB3 CYS A 17 7.687 2.044 0.819 1.00 1.00 H new ATOM 257 N SER A 18 6.577 2.192 3.567 1.00 1.00 N ATOM 258 CA SER A 18 7.218 1.944 4.872 1.00 1.00 C ATOM 259 C SER A 18 6.268 1.173 5.789 1.00 1.00 C ATOM 260 O SER A 18 6.688 0.462 6.679 1.00 1.00 O ATOM 261 CB SER A 18 7.575 3.297 5.471 1.00 1.00 C ATOM 262 OG SER A 18 8.533 3.841 4.574 1.00 1.00 O ATOM 0 H SER A 18 6.337 3.171 3.411 1.00 1.00 H new ATOM 0 HA SER A 18 8.117 1.339 4.753 1.00 1.00 H new ATOM 0 HB2 SER A 18 6.698 3.939 5.552 1.00 1.00 H new ATOM 0 HB3 SER A 18 7.986 3.191 6.475 1.00 1.00 H new ATOM 0 HG SER A 18 8.815 4.724 4.893 1.00 1.00 H new ATOM 268 N LYS A 19 5.004 1.362 5.508 1.00 1.00 N ATOM 269 CA LYS A 19 3.886 0.727 6.260 1.00 1.00 C ATOM 270 C LYS A 19 3.963 1.078 7.749 1.00 1.00 C ATOM 271 O LYS A 19 3.731 0.237 8.597 1.00 1.00 O ATOM 272 CB LYS A 19 3.947 -0.814 6.066 1.00 1.00 C ATOM 273 CG LYS A 19 3.838 -1.136 4.564 1.00 1.00 C ATOM 274 CD LYS A 19 3.947 -2.643 4.268 1.00 1.00 C ATOM 275 CE LYS A 19 2.721 -3.434 4.787 1.00 1.00 C ATOM 276 NZ LYS A 19 2.735 -3.542 6.275 1.00 1.00 N ATOM 0 H LYS A 19 4.690 1.964 4.746 1.00 1.00 H new ATOM 0 HA LYS A 19 2.939 1.106 5.874 1.00 1.00 H new ATOM 0 HB2 LYS A 19 4.881 -1.207 6.468 1.00 1.00 H new ATOM 0 HB3 LYS A 19 3.136 -1.295 6.614 1.00 1.00 H new ATOM 0 HG2 LYS A 19 2.886 -0.764 4.185 1.00 1.00 H new ATOM 0 HG3 LYS A 19 4.624 -0.607 4.026 1.00 1.00 H new ATOM 0 HD2 LYS A 19 4.045 -2.794 3.193 1.00 1.00 H new ATOM 0 HD3 LYS A 19 4.853 -3.037 4.729 1.00 1.00 H new ATOM 0 HE2 LYS A 19 1.804 -2.940 4.465 1.00 1.00 H new ATOM 0 HE3 LYS A 19 2.717 -4.432 4.348 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 2.475 -4.509 6.555 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 3.688 -3.323 6.630 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 2.052 -2.869 6.678 1.00 1.00 H new ATOM 290 N LYS A 20 4.295 2.320 8.018 1.00 1.00 N ATOM 291 CA LYS A 20 4.392 2.773 9.435 1.00 1.00 C ATOM 292 C LYS A 20 3.669 4.110 9.607 1.00 1.00 C ATOM 293 O LYS A 20 4.263 5.142 9.847 1.00 1.00 O ATOM 294 CB LYS A 20 5.904 2.882 9.837 1.00 1.00 C ATOM 295 CG LYS A 20 6.568 1.486 9.911 1.00 1.00 C ATOM 296 CD LYS A 20 5.978 0.646 11.069 1.00 1.00 C ATOM 297 CE LYS A 20 6.683 -0.719 11.109 1.00 1.00 C ATOM 298 NZ LYS A 20 6.121 -1.548 12.213 1.00 1.00 N ATOM 0 H LYS A 20 4.501 3.033 7.318 1.00 1.00 H new ATOM 0 HA LYS A 20 3.910 2.050 10.093 1.00 1.00 H new ATOM 0 HB2 LYS A 20 6.432 3.500 9.111 1.00 1.00 H new ATOM 0 HB3 LYS A 20 5.991 3.380 10.803 1.00 1.00 H new ATOM 0 HG2 LYS A 20 6.423 0.961 8.967 1.00 1.00 H new ATOM 0 HG3 LYS A 20 7.643 1.599 10.051 1.00 1.00 H new ATOM 0 HD2 LYS A 20 6.112 1.166 12.017 1.00 1.00 H new ATOM 0 HD3 LYS A 20 4.906 0.512 10.928 1.00 1.00 H new ATOM 0 HE2 LYS A 20 6.555 -1.232 10.156 1.00 1.00 H new ATOM 0 HE3 LYS A 20 7.754 -0.581 11.255 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 6.602 -2.470 12.234 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 6.265 -1.061 13.121 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 5.103 -1.692 12.055 1.00 1.00 H new ATOM 312 N CYS A 21 2.370 4.053 9.466 1.00 1.00 N ATOM 313 CA CYS A 21 1.565 5.296 9.625 1.00 1.00 C ATOM 314 C CYS A 21 0.933 5.091 11.005 1.00 1.00 C ATOM 315 O CYS A 21 0.324 4.065 11.247 1.00 1.00 O ATOM 316 CB CYS A 21 0.521 5.389 8.489 1.00 1.00 C ATOM 317 SG CYS A 21 -0.623 6.793 8.475 1.00 1.00 S ATOM 0 H CYS A 21 1.839 3.209 9.250 1.00 1.00 H new ATOM 0 HA CYS A 21 2.127 6.228 9.564 1.00 1.00 H new ATOM 0 HB2 CYS A 21 1.061 5.393 7.542 1.00 1.00 H new ATOM 0 HB3 CYS A 21 -0.075 4.477 8.512 1.00 1.00 H new ATOM 322 N LYS A 22 1.101 6.065 11.872 1.00 1.00 N ATOM 323 CA LYS A 22 0.528 5.943 13.263 1.00 1.00 C ATOM 324 C LYS A 22 -0.222 7.147 13.847 1.00 1.00 C ATOM 325 O LYS A 22 -0.096 8.258 13.368 1.00 1.00 O ATOM 326 CB LYS A 22 1.694 5.532 14.201 1.00 1.00 C ATOM 327 CG LYS A 22 2.957 6.426 14.074 1.00 1.00 C ATOM 328 CD LYS A 22 2.774 7.882 14.590 1.00 1.00 C ATOM 329 CE LYS A 22 2.140 7.914 15.999 1.00 1.00 C ATOM 330 NZ LYS A 22 2.808 6.940 16.905 1.00 1.00 N ATOM 0 H LYS A 22 1.604 6.932 11.684 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.266 5.200 13.184 1.00 1.00 H new ATOM 0 HB2 LYS A 22 1.344 5.562 15.233 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.970 4.499 13.988 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.773 5.959 14.625 1.00 1.00 H new ATOM 0 HG3 LYS A 22 3.258 6.461 13.027 1.00 1.00 H new ATOM 0 HD2 LYS A 22 3.741 8.383 14.615 1.00 1.00 H new ATOM 0 HD3 LYS A 22 2.145 8.438 13.895 1.00 1.00 H new ATOM 0 HE2 LYS A 22 2.220 8.918 16.415 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.077 7.682 15.929 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 2.840 7.328 17.869 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 2.275 6.047 16.909 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 3.777 6.763 16.571 1.00 1.00 H new ATOM 344 N ARG A 23 -0.982 6.856 14.882 1.00 1.00 N ATOM 345 CA ARG A 23 -1.795 7.896 15.594 1.00 1.00 C ATOM 346 C ARG A 23 -1.406 8.018 17.076 1.00 1.00 C ATOM 347 O ARG A 23 -0.782 7.146 17.649 1.00 1.00 O ATOM 348 CB ARG A 23 -3.314 7.537 15.524 1.00 1.00 C ATOM 349 CG ARG A 23 -4.128 8.618 14.804 1.00 1.00 C ATOM 350 CD ARG A 23 -3.936 10.040 15.396 1.00 1.00 C ATOM 351 NE ARG A 23 -4.317 10.066 16.840 1.00 1.00 N ATOM 352 CZ ARG A 23 -5.020 11.065 17.304 1.00 1.00 C ATOM 353 NH1 ARG A 23 -4.451 12.233 17.414 1.00 1.00 N ATOM 354 NH2 ARG A 23 -6.262 10.872 17.644 1.00 1.00 N ATOM 0 H ARG A 23 -1.073 5.917 15.270 1.00 1.00 H new ATOM 0 HA ARG A 23 -1.596 8.844 15.094 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -3.438 6.585 15.007 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -3.702 7.404 16.534 1.00 1.00 H new ATOM 0 HG2 ARG A 23 -3.847 8.631 13.751 1.00 1.00 H new ATOM 0 HG3 ARG A 23 -5.185 8.355 14.849 1.00 1.00 H new ATOM 0 HD2 ARG A 23 -2.897 10.349 15.283 1.00 1.00 H new ATOM 0 HD3 ARG A 23 -4.543 10.755 14.841 1.00 1.00 H new ATOM 0 HE ARG A 23 -4.030 9.309 17.460 1.00 1.00 H new ATOM 0 HH11 ARG A 23 -3.476 12.353 17.140 1.00 1.00 H new ATOM 0 HH12 ARG A 23 -4.981 13.027 17.774 1.00 1.00 H new ATOM 0 HH21 ARG A 23 -6.679 9.946 17.547 1.00 1.00 H new ATOM 0 HH22 ARG A 23 -6.818 11.647 18.007 1.00 1.00 H new ATOM 368 N ARG A 24 -1.811 9.134 17.625 1.00 1.00 N ATOM 369 CA ARG A 24 -1.562 9.484 19.052 1.00 1.00 C ATOM 370 C ARG A 24 -2.838 10.140 19.619 1.00 1.00 C ATOM 371 O ARG A 24 -2.886 11.321 19.901 1.00 1.00 O ATOM 372 CB ARG A 24 -0.307 10.434 19.115 1.00 1.00 C ATOM 373 CG ARG A 24 -0.413 11.813 18.372 1.00 1.00 C ATOM 374 CD ARG A 24 -0.771 11.690 16.878 1.00 1.00 C ATOM 375 NE ARG A 24 0.116 10.670 16.237 1.00 1.00 N ATOM 376 CZ ARG A 24 0.870 10.994 15.222 1.00 1.00 C ATOM 377 NH1 ARG A 24 2.068 11.455 15.448 1.00 1.00 N ATOM 378 NH2 ARG A 24 0.400 10.843 14.016 1.00 1.00 N ATOM 0 H ARG A 24 -2.329 9.849 17.114 1.00 1.00 H new ATOM 0 HA ARG A 24 -1.344 8.606 19.660 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -0.085 10.632 20.164 1.00 1.00 H new ATOM 0 HB3 ARG A 24 0.546 9.894 18.705 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -1.167 12.425 18.867 1.00 1.00 H new ATOM 0 HG3 ARG A 24 0.537 12.340 18.466 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -1.816 11.401 16.766 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -0.652 12.654 16.384 1.00 1.00 H new ATOM 0 HE ARG A 24 0.132 9.715 16.595 1.00 1.00 H new ATOM 0 HH11 ARG A 24 2.403 11.558 16.406 1.00 1.00 H new ATOM 0 HH12 ARG A 24 2.671 11.713 14.667 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -0.542 10.477 13.878 1.00 1.00 H new ATOM 0 HH22 ARG A 24 0.974 11.091 13.210 1.00 1.00 H new ATOM 392 N GLY A 25 -3.850 9.320 19.768 1.00 1.00 N ATOM 393 CA GLY A 25 -5.161 9.766 20.295 1.00 1.00 C ATOM 394 C GLY A 25 -6.318 8.886 19.807 1.00 1.00 C ATOM 395 O GLY A 25 -6.111 7.780 19.346 1.00 1.00 O ATOM 0 H GLY A 25 -3.811 8.328 19.535 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.134 9.755 21.385 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.340 10.797 19.991 1.00 1.00 H new ATOM 399 N THR A 26 -7.506 9.425 19.929 1.00 1.00 N ATOM 400 CA THR A 26 -8.740 8.696 19.505 1.00 1.00 C ATOM 401 C THR A 26 -8.988 8.800 17.994 1.00 1.00 C ATOM 402 O THR A 26 -9.286 7.805 17.362 1.00 1.00 O ATOM 403 CB THR A 26 -9.936 9.273 20.327 1.00 1.00 C ATOM 404 OG1 THR A 26 -11.066 8.525 19.898 1.00 1.00 O ATOM 405 CG2 THR A 26 -10.291 10.731 19.975 1.00 1.00 C ATOM 0 H THR A 26 -7.675 10.356 20.311 1.00 1.00 H new ATOM 0 HA THR A 26 -8.623 7.631 19.706 1.00 1.00 H new ATOM 0 HB THR A 26 -9.676 9.223 21.384 1.00 1.00 H new ATOM 0 HG1 THR A 26 -11.863 8.833 20.377 1.00 1.00 H new ATOM 0 HG21 THR A 26 -11.131 11.059 20.588 1.00 1.00 H new ATOM 0 HG22 THR A 26 -9.430 11.371 20.166 1.00 1.00 H new ATOM 0 HG23 THR A 26 -10.564 10.795 18.922 1.00 1.00 H new ATOM 413 N ASN A 27 -8.862 9.989 17.464 1.00 1.00 N ATOM 414 CA ASN A 27 -9.077 10.199 15.993 1.00 1.00 C ATOM 415 C ASN A 27 -8.038 9.327 15.282 1.00 1.00 C ATOM 416 O ASN A 27 -6.862 9.581 15.426 1.00 1.00 O ATOM 417 CB ASN A 27 -8.847 11.679 15.619 1.00 1.00 C ATOM 418 CG ASN A 27 -9.914 12.572 16.256 1.00 1.00 C ATOM 419 OD1 ASN A 27 -10.015 12.687 17.461 1.00 1.00 O ATOM 420 ND2 ASN A 27 -10.731 13.224 15.474 1.00 1.00 N ATOM 0 H ASN A 27 -8.618 10.831 17.986 1.00 1.00 H new ATOM 0 HA ASN A 27 -10.096 9.937 15.706 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -7.858 11.993 15.951 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -8.871 11.793 14.535 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -11.450 13.826 15.876 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -10.651 13.131 14.461 1.00 1.00 H new ATOM 427 N ILE A 28 -8.475 8.339 14.540 1.00 1.00 N ATOM 428 CA ILE A 28 -7.508 7.435 13.821 1.00 1.00 C ATOM 429 C ILE A 28 -6.791 8.125 12.643 1.00 1.00 C ATOM 430 O ILE A 28 -6.208 7.494 11.787 1.00 1.00 O ATOM 431 CB ILE A 28 -8.276 6.185 13.324 1.00 1.00 C ATOM 432 CG1 ILE A 28 -9.200 5.699 14.477 1.00 1.00 C ATOM 433 CG2 ILE A 28 -7.231 5.050 13.030 1.00 1.00 C ATOM 434 CD1 ILE A 28 -10.068 4.519 14.022 1.00 1.00 C ATOM 0 H ILE A 28 -9.460 8.115 14.398 1.00 1.00 H new ATOM 0 HA ILE A 28 -6.726 7.155 14.527 1.00 1.00 H new ATOM 0 HB ILE A 28 -8.855 6.418 12.430 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -8.594 5.401 15.333 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -9.838 6.519 14.807 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -7.751 4.159 12.678 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -6.532 5.388 12.265 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -6.684 4.814 13.943 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -10.705 4.197 14.846 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -10.690 4.827 13.181 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -9.427 3.693 13.715 1.00 1.00 H new ATOM 446 N GLU A 29 -6.869 9.425 12.644 1.00 1.00 N ATOM 447 CA GLU A 29 -6.255 10.293 11.632 1.00 1.00 C ATOM 448 C GLU A 29 -4.742 10.192 11.908 1.00 1.00 C ATOM 449 O GLU A 29 -4.180 11.043 12.571 1.00 1.00 O ATOM 450 CB GLU A 29 -6.823 11.711 11.846 1.00 1.00 C ATOM 451 CG GLU A 29 -8.387 11.644 11.805 1.00 1.00 C ATOM 452 CD GLU A 29 -9.057 12.997 12.152 1.00 1.00 C ATOM 453 OE1 GLU A 29 -8.355 13.977 12.351 1.00 1.00 O ATOM 454 OE2 GLU A 29 -10.276 12.968 12.200 1.00 1.00 O ATOM 0 H GLU A 29 -7.373 9.944 13.363 1.00 1.00 H new ATOM 0 HA GLU A 29 -6.456 10.023 10.595 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -6.488 12.110 12.803 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -6.454 12.385 11.073 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -8.706 11.330 10.811 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -8.732 10.883 12.505 1.00 1.00 H new ATOM 461 N LYS A 30 -4.119 9.162 11.387 1.00 1.00 N ATOM 462 CA LYS A 30 -2.644 8.970 11.622 1.00 1.00 C ATOM 463 C LYS A 30 -1.744 9.531 10.537 1.00 1.00 C ATOM 464 O LYS A 30 -2.212 9.835 9.464 1.00 1.00 O ATOM 465 CB LYS A 30 -2.393 7.444 11.800 1.00 1.00 C ATOM 466 CG LYS A 30 -3.183 6.609 10.791 1.00 1.00 C ATOM 467 CD LYS A 30 -2.752 5.119 10.794 1.00 1.00 C ATOM 468 CE LYS A 30 -3.232 4.351 12.048 1.00 1.00 C ATOM 469 NZ LYS A 30 -2.533 4.805 13.279 1.00 1.00 N ATOM 0 H LYS A 30 -4.562 8.446 10.811 1.00 1.00 H new ATOM 0 HA LYS A 30 -2.379 9.539 12.513 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -1.329 7.237 11.687 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -2.670 7.147 12.811 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -4.247 6.678 11.020 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -3.044 7.023 9.792 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -3.147 4.631 9.903 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -1.665 5.061 10.734 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -4.306 4.489 12.169 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -3.062 3.284 11.907 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -1.904 4.050 13.619 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -1.971 5.654 13.066 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -3.234 5.029 14.014 1.00 1.00 H new ATOM 483 N ARG A 31 -0.471 9.645 10.835 1.00 1.00 N ATOM 484 CA ARG A 31 0.484 10.191 9.840 1.00 1.00 C ATOM 485 C ARG A 31 1.253 9.028 9.266 1.00 1.00 C ATOM 486 O ARG A 31 1.458 8.051 9.956 1.00 1.00 O ATOM 487 CB ARG A 31 1.434 11.179 10.517 1.00 1.00 C ATOM 488 CG ARG A 31 0.624 12.324 11.151 1.00 1.00 C ATOM 489 CD ARG A 31 -0.060 13.200 10.079 1.00 1.00 C ATOM 490 NE ARG A 31 -1.183 13.939 10.725 1.00 1.00 N ATOM 491 CZ ARG A 31 -2.406 13.730 10.312 1.00 1.00 C ATOM 492 NH1 ARG A 31 -2.961 12.571 10.539 1.00 1.00 N ATOM 493 NH2 ARG A 31 -3.031 14.688 9.685 1.00 1.00 N ATOM 0 H ARG A 31 -0.059 9.380 11.730 1.00 1.00 H new ATOM 0 HA ARG A 31 -0.043 10.724 9.048 1.00 1.00 H new ATOM 0 HB2 ARG A 31 2.021 10.669 11.281 1.00 1.00 H new ATOM 0 HB3 ARG A 31 2.139 11.579 9.788 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -0.131 11.909 11.819 1.00 1.00 H new ATOM 0 HG3 ARG A 31 1.283 12.942 11.760 1.00 1.00 H new ATOM 0 HD2 ARG A 31 0.656 13.899 9.647 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -0.433 12.580 9.263 1.00 1.00 H new ATOM 0 HE ARG A 31 -0.999 14.600 11.480 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -2.442 11.845 11.032 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -3.914 12.391 10.224 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -2.565 15.581 9.524 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -3.985 14.544 9.355 1.00 1.00 H new ATOM 507 N CYS A 32 1.648 9.234 8.036 1.00 1.00 N ATOM 508 CA CYS A 32 2.411 8.235 7.209 1.00 1.00 C ATOM 509 C CYS A 32 3.959 8.134 7.219 1.00 1.00 C ATOM 510 O CYS A 32 4.604 8.761 6.400 1.00 1.00 O ATOM 511 CB CYS A 32 1.934 8.455 5.748 1.00 1.00 C ATOM 512 SG CYS A 32 1.535 7.022 4.711 1.00 1.00 S ATOM 0 H CYS A 32 1.463 10.106 7.540 1.00 1.00 H new ATOM 0 HA CYS A 32 2.177 7.290 7.700 1.00 1.00 H new ATOM 0 HB2 CYS A 32 1.047 9.087 5.786 1.00 1.00 H new ATOM 0 HB3 CYS A 32 2.709 9.024 5.234 1.00 1.00 H new ATOM 517 N ARG A 33 4.541 7.366 8.116 1.00 1.00 N ATOM 518 CA ARG A 33 6.030 7.249 8.130 1.00 1.00 C ATOM 519 C ARG A 33 6.464 5.773 7.913 1.00 1.00 C ATOM 520 O ARG A 33 5.608 4.989 7.515 1.00 1.00 O ATOM 521 CB ARG A 33 6.542 7.823 9.475 1.00 1.00 C ATOM 522 CG ARG A 33 5.918 7.192 10.701 1.00 1.00 C ATOM 523 CD ARG A 33 6.502 7.880 11.928 1.00 1.00 C ATOM 524 NE ARG A 33 5.747 7.363 13.096 1.00 1.00 N ATOM 525 CZ ARG A 33 6.355 6.747 14.074 1.00 1.00 C ATOM 526 NH1 ARG A 33 6.963 5.618 13.831 1.00 1.00 N ATOM 527 NH2 ARG A 33 6.332 7.282 15.263 1.00 1.00 N ATOM 528 OXT ARG A 33 7.631 5.500 8.142 1.00 1.00 O ATOM 0 H ARG A 33 4.052 6.824 8.828 1.00 1.00 H new ATOM 0 HA ARG A 33 6.470 7.819 7.312 1.00 1.00 H new ATOM 0 HB2 ARG A 33 7.623 7.692 9.524 1.00 1.00 H new ATOM 0 HB3 ARG A 33 6.349 8.896 9.495 1.00 1.00 H new ATOM 0 HG2 ARG A 33 4.834 7.306 10.679 1.00 1.00 H new ATOM 0 HG3 ARG A 33 6.126 6.122 10.728 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.566 7.663 12.026 1.00 1.00 H new ATOM 0 HD3 ARG A 33 6.404 8.963 11.850 1.00 1.00 H new ATOM 0 HE ARG A 33 4.736 7.491 13.136 1.00 1.00 H new ATOM 0 HH11 ARG A 33 6.959 5.229 12.888 1.00 1.00 H new ATOM 0 HH12 ARG A 33 7.442 5.125 14.584 1.00 1.00 H new ATOM 0 HH21 ARG A 33 5.845 8.165 15.415 1.00 1.00 H new ATOM 0 HH22 ARG A 33 6.801 6.817 16.041 1.00 1.00 H new TER 542 ARG A 33