USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 272 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 6 HIS : no HD1:sc= -3.5! C(o=-3.5!,f=-6.7!) USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= -0.0638 (180deg=-0.477) USER MOD Single : A 11 LYS NZ :NH3+ 144:sc= 0.0465 (180deg=-0.61) USER MOD Single : A 13 ASN : amide:sc= -2 K(o=-2,f=-4.2!) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= -0.0557 (180deg=-0.373) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -109:sc= -2.6! (180deg=-5.76!) USER MOD Single : A 20 LYS NZ :NH3+ 170:sc=-0.00647 (180deg=-0.136) 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=-0.00552 X(o=-0.0055,f=-0.0055) USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= 0.408 (180deg=-0.267) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 3.994 -1.610 -1.921 1.00 1.00 N ATOM 11 CA ASP A 2 3.480 -3.004 -1.886 1.00 1.00 C ATOM 12 C ASP A 2 4.578 -4.070 -1.824 1.00 1.00 C ATOM 13 O ASP A 2 5.558 -4.065 -2.539 1.00 1.00 O ATOM 14 CB ASP A 2 2.585 -3.167 -3.115 1.00 1.00 C ATOM 15 CG ASP A 2 3.294 -2.751 -4.412 1.00 1.00 C ATOM 16 OD1 ASP A 2 4.017 -3.584 -4.922 1.00 1.00 O ATOM 17 OD2 ASP A 2 3.075 -1.620 -4.816 1.00 1.00 O ATOM 0 HA ASP A 2 2.921 -3.163 -0.964 1.00 1.00 H new ATOM 0 HB2 ASP A 2 2.267 -4.207 -3.195 1.00 1.00 H new ATOM 0 HB3 ASP A 2 1.684 -2.567 -2.988 1.00 1.00 H new ATOM 22 N CYS A 3 4.328 -4.986 -0.935 1.00 1.00 N ATOM 23 CA CYS A 3 5.245 -6.124 -0.664 1.00 1.00 C ATOM 24 C CYS A 3 5.351 -7.181 -1.769 1.00 1.00 C ATOM 25 O CYS A 3 4.860 -8.287 -1.637 1.00 1.00 O ATOM 26 CB CYS A 3 4.756 -6.723 0.651 1.00 1.00 C ATOM 27 SG CYS A 3 4.662 -5.631 2.096 1.00 1.00 S ATOM 0 H CYS A 3 3.486 -4.991 -0.359 1.00 1.00 H new ATOM 0 HA CYS A 3 6.268 -5.751 -0.615 1.00 1.00 H new ATOM 0 HB2 CYS A 3 3.763 -7.139 0.481 1.00 1.00 H new ATOM 0 HB3 CYS A 3 5.412 -7.556 0.903 1.00 1.00 H new ATOM 32 N LEU A 4 6.000 -6.795 -2.840 1.00 1.00 N ATOM 33 CA LEU A 4 6.173 -7.754 -3.985 1.00 1.00 C ATOM 34 C LEU A 4 7.161 -8.861 -3.551 1.00 1.00 C ATOM 35 O LEU A 4 8.019 -8.605 -2.729 1.00 1.00 O ATOM 36 CB LEU A 4 6.769 -7.039 -5.217 1.00 1.00 C ATOM 37 CG LEU A 4 5.864 -5.888 -5.694 1.00 1.00 C ATOM 38 CD1 LEU A 4 6.540 -5.157 -6.870 1.00 1.00 C ATOM 39 CD2 LEU A 4 4.494 -6.434 -6.174 1.00 1.00 C ATOM 0 H LEU A 4 6.413 -5.872 -2.974 1.00 1.00 H new ATOM 0 HA LEU A 4 5.198 -8.166 -4.247 1.00 1.00 H new ATOM 0 HB2 LEU A 4 7.756 -6.649 -4.970 1.00 1.00 H new ATOM 0 HB3 LEU A 4 6.903 -7.757 -6.026 1.00 1.00 H new ATOM 0 HG LEU A 4 5.708 -5.204 -4.860 1.00 1.00 H new ATOM 0 HD11 LEU A 4 5.900 -4.342 -7.208 1.00 1.00 H new ATOM 0 HD12 LEU A 4 7.499 -4.754 -6.545 1.00 1.00 H new ATOM 0 HD13 LEU A 4 6.700 -5.857 -7.690 1.00 1.00 H new ATOM 0 HD21 LEU A 4 3.869 -5.606 -6.507 1.00 1.00 H new ATOM 0 HD22 LEU A 4 4.648 -7.128 -7.001 1.00 1.00 H new ATOM 0 HD23 LEU A 4 4.001 -6.953 -5.352 1.00 1.00 H new ATOM 51 N PRO A 5 7.030 -10.051 -4.099 1.00 1.00 N ATOM 52 CA PRO A 5 8.000 -11.160 -3.860 1.00 1.00 C ATOM 53 C PRO A 5 9.415 -10.799 -4.333 1.00 1.00 C ATOM 54 O PRO A 5 10.227 -10.293 -3.583 1.00 1.00 O ATOM 55 CB PRO A 5 7.391 -12.351 -4.615 1.00 1.00 C ATOM 56 CG PRO A 5 6.545 -11.682 -5.728 1.00 1.00 C ATOM 57 CD PRO A 5 5.930 -10.469 -5.018 1.00 1.00 C ATOM 0 HA PRO A 5 8.137 -11.384 -2.802 1.00 1.00 H new ATOM 0 HB2 PRO A 5 8.162 -12.998 -5.032 1.00 1.00 H new ATOM 0 HB3 PRO A 5 6.776 -12.969 -3.960 1.00 1.00 H new ATOM 0 HG2 PRO A 5 7.160 -11.383 -6.577 1.00 1.00 H new ATOM 0 HG3 PRO A 5 5.779 -12.356 -6.111 1.00 1.00 H new ATOM 0 HD2 PRO A 5 5.663 -9.679 -5.720 1.00 1.00 H new ATOM 0 HD3 PRO A 5 5.023 -10.732 -4.474 1.00 1.00 H new ATOM 65 N HIS A 6 9.637 -11.087 -5.586 1.00 1.00 N ATOM 66 CA HIS A 6 10.955 -10.812 -6.238 1.00 1.00 C ATOM 67 C HIS A 6 11.206 -9.304 -6.441 1.00 1.00 C ATOM 68 O HIS A 6 10.329 -8.481 -6.272 1.00 1.00 O ATOM 69 CB HIS A 6 10.967 -11.577 -7.596 1.00 1.00 C ATOM 70 CG HIS A 6 12.271 -11.351 -8.383 1.00 1.00 C ATOM 71 ND1 HIS A 6 12.574 -10.276 -9.035 1.00 1.00 N ATOM 72 CD2 HIS A 6 13.366 -12.176 -8.573 1.00 1.00 C ATOM 73 CE1 HIS A 6 13.739 -10.404 -9.583 1.00 1.00 C ATOM 74 NE2 HIS A 6 14.269 -11.572 -9.321 1.00 1.00 N ATOM 0 H HIS A 6 8.944 -11.512 -6.202 1.00 1.00 H new ATOM 0 HA HIS A 6 11.763 -11.157 -5.593 1.00 1.00 H new ATOM 0 HB2 HIS A 6 10.837 -12.643 -7.411 1.00 1.00 H new ATOM 0 HB3 HIS A 6 10.120 -11.253 -8.200 1.00 1.00 H new ATOM 0 HD2 HIS A 6 13.467 -13.172 -8.167 1.00 1.00 H new ATOM 0 HE1 HIS A 6 14.215 -9.642 -10.182 1.00 1.00 H new ATOM 0 HE2 HIS A 6 15.173 -11.932 -9.626 1.00 1.00 H new ATOM 82 N LEU A 7 12.437 -9.037 -6.787 1.00 1.00 N ATOM 83 CA LEU A 7 12.984 -7.674 -7.061 1.00 1.00 C ATOM 84 C LEU A 7 12.420 -7.130 -8.400 1.00 1.00 C ATOM 85 O LEU A 7 13.173 -6.881 -9.324 1.00 1.00 O ATOM 86 CB LEU A 7 14.535 -7.795 -7.105 1.00 1.00 C ATOM 87 CG LEU A 7 15.095 -8.785 -6.030 1.00 1.00 C ATOM 88 CD1 LEU A 7 16.633 -8.777 -6.098 1.00 1.00 C ATOM 89 CD2 LEU A 7 14.639 -8.411 -4.604 1.00 1.00 C ATOM 0 H LEU A 7 13.138 -9.770 -6.898 1.00 1.00 H new ATOM 0 HA LEU A 7 12.690 -6.970 -6.282 1.00 1.00 H new ATOM 0 HB2 LEU A 7 14.841 -8.130 -8.096 1.00 1.00 H new ATOM 0 HB3 LEU A 7 14.977 -6.810 -6.951 1.00 1.00 H new ATOM 0 HG LEU A 7 14.705 -9.779 -6.248 1.00 1.00 H new ATOM 0 HD11 LEU A 7 17.034 -9.464 -5.353 1.00 1.00 H new ATOM 0 HD12 LEU A 7 16.955 -9.091 -7.091 1.00 1.00 H new ATOM 0 HD13 LEU A 7 17.001 -7.770 -5.899 1.00 1.00 H new ATOM 0 HD21 LEU A 7 15.051 -9.125 -3.891 1.00 1.00 H new ATOM 0 HD22 LEU A 7 14.993 -7.409 -4.360 1.00 1.00 H new ATOM 0 HD23 LEU A 7 13.550 -8.434 -4.552 1.00 1.00 H new ATOM 101 N LYS A 8 11.122 -6.957 -8.483 1.00 1.00 N ATOM 102 CA LYS A 8 10.490 -6.436 -9.743 1.00 1.00 C ATOM 103 C LYS A 8 11.058 -5.086 -10.187 1.00 1.00 C ATOM 104 O LYS A 8 11.703 -4.395 -9.422 1.00 1.00 O ATOM 105 CB LYS A 8 8.961 -6.280 -9.537 1.00 1.00 C ATOM 106 CG LYS A 8 8.208 -7.592 -9.755 1.00 1.00 C ATOM 107 CD LYS A 8 8.599 -8.621 -8.709 1.00 1.00 C ATOM 108 CE LYS A 8 7.784 -9.878 -8.943 1.00 1.00 C ATOM 109 NZ LYS A 8 8.106 -10.485 -10.267 1.00 1.00 N ATOM 0 H LYS A 8 10.466 -7.155 -7.727 1.00 1.00 H new ATOM 0 HA LYS A 8 10.713 -7.164 -10.523 1.00 1.00 H new ATOM 0 HB2 LYS A 8 8.768 -5.917 -8.528 1.00 1.00 H new ATOM 0 HB3 LYS A 8 8.579 -5.526 -10.225 1.00 1.00 H new ATOM 0 HG2 LYS A 8 7.134 -7.411 -9.710 1.00 1.00 H new ATOM 0 HG3 LYS A 8 8.424 -7.979 -10.751 1.00 1.00 H new ATOM 0 HD2 LYS A 8 9.664 -8.842 -8.775 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.416 -8.232 -7.708 1.00 1.00 H new ATOM 0 HE2 LYS A 8 7.985 -10.599 -8.150 1.00 1.00 H new ATOM 0 HE3 LYS A 8 6.721 -9.641 -8.897 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 7.801 -11.479 -10.277 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 7.610 -9.963 -11.018 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 9.132 -10.436 -10.431 1.00 1.00 H new ATOM 123 N LEU A 9 10.783 -4.762 -11.427 1.00 1.00 N ATOM 124 CA LEU A 9 11.247 -3.502 -12.028 1.00 1.00 C ATOM 125 C LEU A 9 10.515 -2.305 -11.438 1.00 1.00 C ATOM 126 O LEU A 9 9.410 -2.442 -10.947 1.00 1.00 O ATOM 127 CB LEU A 9 11.001 -3.594 -13.486 1.00 1.00 C ATOM 128 CG LEU A 9 11.796 -4.763 -14.115 1.00 1.00 C ATOM 129 CD1 LEU A 9 10.858 -5.960 -14.384 1.00 1.00 C ATOM 130 CD2 LEU A 9 12.448 -4.276 -15.421 1.00 1.00 C ATOM 0 H LEU A 9 10.236 -5.349 -12.057 1.00 1.00 H new ATOM 0 HA LEU A 9 12.307 -3.356 -11.821 1.00 1.00 H new ATOM 0 HB2 LEU A 9 9.936 -3.735 -13.670 1.00 1.00 H new ATOM 0 HB3 LEU A 9 11.286 -2.657 -13.965 1.00 1.00 H new ATOM 0 HG LEU A 9 12.574 -5.094 -13.427 1.00 1.00 H new ATOM 0 HD11 LEU A 9 11.428 -6.777 -14.827 1.00 1.00 H new ATOM 0 HD12 LEU A 9 10.415 -6.293 -13.445 1.00 1.00 H new ATOM 0 HD13 LEU A 9 10.068 -5.656 -15.070 1.00 1.00 H new ATOM 0 HD21 LEU A 9 13.011 -5.092 -15.873 1.00 1.00 H new ATOM 0 HD22 LEU A 9 11.674 -3.943 -16.112 1.00 1.00 H new ATOM 0 HD23 LEU A 9 13.122 -3.447 -15.204 1.00 1.00 H new ATOM 142 N CYS A 10 11.159 -1.167 -11.513 1.00 1.00 N ATOM 143 CA CYS A 10 10.558 0.071 -10.973 1.00 1.00 C ATOM 144 C CYS A 10 11.348 1.337 -11.359 1.00 1.00 C ATOM 145 O CYS A 10 12.455 1.277 -11.866 1.00 1.00 O ATOM 146 CB CYS A 10 10.497 -0.077 -9.451 1.00 1.00 C ATOM 147 SG CYS A 10 12.095 -0.217 -8.619 1.00 1.00 S ATOM 0 H CYS A 10 12.082 -1.051 -11.930 1.00 1.00 H new ATOM 0 HA CYS A 10 9.564 0.199 -11.401 1.00 1.00 H new ATOM 0 HB2 CYS A 10 9.967 0.783 -9.041 1.00 1.00 H new ATOM 0 HB3 CYS A 10 9.904 -0.960 -9.213 1.00 1.00 H new ATOM 152 N LYS A 11 10.698 2.441 -11.085 1.00 1.00 N ATOM 153 CA LYS A 11 11.245 3.810 -11.352 1.00 1.00 C ATOM 154 C LYS A 11 11.132 4.629 -10.042 1.00 1.00 C ATOM 155 O LYS A 11 11.946 5.496 -9.791 1.00 1.00 O ATOM 156 CB LYS A 11 10.439 4.471 -12.485 1.00 1.00 C ATOM 157 CG LYS A 11 11.373 5.282 -13.442 1.00 1.00 C ATOM 158 CD LYS A 11 10.997 6.784 -13.474 1.00 1.00 C ATOM 159 CE LYS A 11 11.322 7.460 -12.130 1.00 1.00 C ATOM 160 NZ LYS A 11 12.788 7.400 -11.862 1.00 1.00 N ATOM 0 H LYS A 11 9.767 2.449 -10.668 1.00 1.00 H new ATOM 0 HA LYS A 11 12.288 3.762 -11.664 1.00 1.00 H new ATOM 0 HB2 LYS A 11 9.908 3.706 -13.052 1.00 1.00 H new ATOM 0 HB3 LYS A 11 9.685 5.134 -12.060 1.00 1.00 H new ATOM 0 HG2 LYS A 11 12.408 5.173 -13.118 1.00 1.00 H new ATOM 0 HG3 LYS A 11 11.309 4.869 -14.449 1.00 1.00 H new ATOM 0 HD2 LYS A 11 11.540 7.282 -14.277 1.00 1.00 H new ATOM 0 HD3 LYS A 11 9.935 6.893 -13.693 1.00 1.00 H new ATOM 0 HE2 LYS A 11 10.991 8.498 -12.148 1.00 1.00 H new ATOM 0 HE3 LYS A 11 10.778 6.966 -11.325 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 13.090 8.273 -11.384 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 12.997 6.583 -11.254 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 13.302 7.302 -12.761 1.00 1.00 H new ATOM 174 N GLU A 12 10.126 4.340 -9.246 1.00 1.00 N ATOM 175 CA GLU A 12 9.915 5.059 -7.948 1.00 1.00 C ATOM 176 C GLU A 12 9.968 4.037 -6.791 1.00 1.00 C ATOM 177 O GLU A 12 9.703 2.865 -6.977 1.00 1.00 O ATOM 178 CB GLU A 12 8.541 5.758 -8.010 1.00 1.00 C ATOM 179 CG GLU A 12 8.281 6.576 -6.722 1.00 1.00 C ATOM 180 CD GLU A 12 6.946 7.335 -6.845 1.00 1.00 C ATOM 181 OE1 GLU A 12 6.886 8.202 -7.703 1.00 1.00 O ATOM 182 OE2 GLU A 12 6.056 7.009 -6.077 1.00 1.00 O ATOM 0 H GLU A 12 9.430 3.622 -9.447 1.00 1.00 H new ATOM 0 HA GLU A 12 10.691 5.805 -7.778 1.00 1.00 H new ATOM 0 HB2 GLU A 12 8.502 6.416 -8.878 1.00 1.00 H new ATOM 0 HB3 GLU A 12 7.755 5.014 -8.138 1.00 1.00 H new ATOM 0 HG2 GLU A 12 8.254 5.912 -5.858 1.00 1.00 H new ATOM 0 HG3 GLU A 12 9.096 7.280 -6.557 1.00 1.00 H new ATOM 189 N ASN A 13 10.308 4.532 -5.626 1.00 1.00 N ATOM 190 CA ASN A 13 10.410 3.689 -4.397 1.00 1.00 C ATOM 191 C ASN A 13 9.077 3.013 -4.035 1.00 1.00 C ATOM 192 O ASN A 13 9.025 1.822 -3.783 1.00 1.00 O ATOM 193 CB ASN A 13 10.890 4.585 -3.231 1.00 1.00 C ATOM 194 CG ASN A 13 9.896 5.726 -2.966 1.00 1.00 C ATOM 195 OD1 ASN A 13 9.706 6.611 -3.776 1.00 1.00 O ATOM 196 ND2 ASN A 13 9.238 5.734 -1.839 1.00 1.00 N ATOM 0 H ASN A 13 10.525 5.517 -5.474 1.00 1.00 H new ATOM 0 HA ASN A 13 11.122 2.886 -4.587 1.00 1.00 H new ATOM 0 HB2 ASN A 13 11.006 3.983 -2.330 1.00 1.00 H new ATOM 0 HB3 ASN A 13 11.870 5.000 -3.466 1.00 1.00 H new ATOM 0 HD21 ASN A 13 8.570 6.480 -1.644 1.00 1.00 H new ATOM 0 HD22 ASN A 13 9.392 4.995 -1.153 1.00 1.00 H new ATOM 203 N LYS A 14 8.047 3.826 -4.039 1.00 1.00 N ATOM 204 CA LYS A 14 6.650 3.394 -3.716 1.00 1.00 C ATOM 205 C LYS A 14 6.333 2.010 -4.291 1.00 1.00 C ATOM 206 O LYS A 14 5.565 1.267 -3.712 1.00 1.00 O ATOM 207 CB LYS A 14 5.693 4.457 -4.285 1.00 1.00 C ATOM 208 CG LYS A 14 4.224 4.135 -3.912 1.00 1.00 C ATOM 209 CD LYS A 14 3.269 5.230 -4.456 1.00 1.00 C ATOM 210 CE LYS A 14 3.509 6.591 -3.762 1.00 1.00 C ATOM 211 NZ LYS A 14 3.285 6.474 -2.292 1.00 1.00 N ATOM 0 H LYS A 14 8.124 4.818 -4.264 1.00 1.00 H new ATOM 0 HA LYS A 14 6.533 3.309 -2.636 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.963 5.440 -3.899 1.00 1.00 H new ATOM 0 HB3 LYS A 14 5.796 4.501 -5.369 1.00 1.00 H new ATOM 0 HG2 LYS A 14 3.944 3.164 -4.321 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.125 4.064 -2.829 1.00 1.00 H new ATOM 0 HD2 LYS A 14 3.414 5.339 -5.531 1.00 1.00 H new ATOM 0 HD3 LYS A 14 2.235 4.920 -4.303 1.00 1.00 H new ATOM 0 HE2 LYS A 14 4.527 6.930 -3.955 1.00 1.00 H new ATOM 0 HE3 LYS A 14 2.838 7.342 -4.179 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 3.181 7.423 -1.880 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 2.420 5.924 -2.115 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 4.097 5.993 -1.854 1.00 1.00 H new ATOM 225 N ASP A 15 6.940 1.725 -5.417 1.00 1.00 N ATOM 226 CA ASP A 15 6.747 0.416 -6.112 1.00 1.00 C ATOM 227 C ASP A 15 6.683 -0.758 -5.128 1.00 1.00 C ATOM 228 O ASP A 15 5.877 -1.648 -5.298 1.00 1.00 O ATOM 229 CB ASP A 15 7.910 0.222 -7.114 1.00 1.00 C ATOM 230 CG ASP A 15 7.641 -0.992 -8.033 1.00 1.00 C ATOM 231 OD1 ASP A 15 7.696 -2.103 -7.532 1.00 1.00 O ATOM 232 OD2 ASP A 15 7.391 -0.738 -9.201 1.00 1.00 O ATOM 0 H ASP A 15 7.577 2.362 -5.894 1.00 1.00 H new ATOM 0 HA ASP A 15 5.791 0.433 -6.635 1.00 1.00 H new ATOM 0 HB2 ASP A 15 8.031 1.122 -7.717 1.00 1.00 H new ATOM 0 HB3 ASP A 15 8.844 0.074 -6.571 1.00 1.00 H new ATOM 237 N CYS A 16 7.537 -0.720 -4.138 1.00 1.00 N ATOM 238 CA CYS A 16 7.584 -1.790 -3.109 1.00 1.00 C ATOM 239 C CYS A 16 7.343 -1.312 -1.679 1.00 1.00 C ATOM 240 O CYS A 16 7.565 -0.158 -1.383 1.00 1.00 O ATOM 241 CB CYS A 16 8.943 -2.440 -3.169 1.00 1.00 C ATOM 242 SG CYS A 16 9.022 -3.925 -4.201 1.00 1.00 S ATOM 0 H CYS A 16 8.218 0.027 -4.001 1.00 1.00 H new ATOM 0 HA CYS A 16 6.771 -2.478 -3.342 1.00 1.00 H new ATOM 0 HB2 CYS A 16 9.663 -1.713 -3.545 1.00 1.00 H new ATOM 0 HB3 CYS A 16 9.252 -2.700 -2.157 1.00 1.00 H new ATOM 247 N CYS A 17 6.895 -2.222 -0.843 1.00 1.00 N ATOM 248 CA CYS A 17 6.629 -1.931 0.589 1.00 1.00 C ATOM 249 C CYS A 17 7.973 -1.476 1.186 1.00 1.00 C ATOM 250 O CYS A 17 8.049 -0.544 1.964 1.00 1.00 O ATOM 251 CB CYS A 17 6.187 -3.204 1.303 1.00 1.00 C ATOM 252 SG CYS A 17 4.462 -3.737 1.411 1.00 1.00 S ATOM 0 H CYS A 17 6.699 -3.186 -1.113 1.00 1.00 H new ATOM 0 HA CYS A 17 5.848 -1.178 0.700 1.00 1.00 H new ATOM 0 HB2 CYS A 17 6.733 -4.024 0.836 1.00 1.00 H new ATOM 0 HB3 CYS A 17 6.548 -3.123 2.328 1.00 1.00 H new ATOM 257 N SER A 18 8.991 -2.193 0.768 1.00 1.00 N ATOM 258 CA SER A 18 10.385 -1.954 1.203 1.00 1.00 C ATOM 259 C SER A 18 10.964 -0.659 0.619 1.00 1.00 C ATOM 260 O SER A 18 12.077 -0.282 0.931 1.00 1.00 O ATOM 261 CB SER A 18 11.205 -3.167 0.771 1.00 1.00 C ATOM 262 OG SER A 18 10.622 -4.253 1.477 1.00 1.00 O ATOM 0 H SER A 18 8.895 -2.968 0.112 1.00 1.00 H new ATOM 0 HA SER A 18 10.416 -1.827 2.285 1.00 1.00 H new ATOM 0 HB2 SER A 18 11.153 -3.319 -0.307 1.00 1.00 H new ATOM 0 HB3 SER A 18 12.258 -3.047 1.025 1.00 1.00 H new ATOM 0 HG SER A 18 11.095 -5.081 1.252 1.00 1.00 H new ATOM 268 N LYS A 19 10.160 -0.038 -0.207 1.00 1.00 N ATOM 269 CA LYS A 19 10.486 1.239 -0.906 1.00 1.00 C ATOM 270 C LYS A 19 11.974 1.535 -1.157 1.00 1.00 C ATOM 271 O LYS A 19 12.440 2.633 -0.915 1.00 1.00 O ATOM 272 CB LYS A 19 9.849 2.388 -0.088 1.00 1.00 C ATOM 273 CG LYS A 19 8.309 2.261 -0.101 1.00 1.00 C ATOM 274 CD LYS A 19 7.614 3.470 0.559 1.00 1.00 C ATOM 275 CE LYS A 19 7.997 3.620 2.046 1.00 1.00 C ATOM 276 NZ LYS A 19 9.400 4.106 2.183 1.00 1.00 N ATOM 0 H LYS A 19 9.231 -0.392 -0.436 1.00 1.00 H new ATOM 0 HA LYS A 19 10.079 1.144 -1.913 1.00 1.00 H new ATOM 0 HB2 LYS A 19 10.215 2.360 0.938 1.00 1.00 H new ATOM 0 HB3 LYS A 19 10.146 3.350 -0.506 1.00 1.00 H new ATOM 0 HG2 LYS A 19 7.964 2.164 -1.130 1.00 1.00 H new ATOM 0 HG3 LYS A 19 8.018 1.349 0.420 1.00 1.00 H new ATOM 0 HD2 LYS A 19 7.883 4.380 0.022 1.00 1.00 H new ATOM 0 HD3 LYS A 19 6.533 3.357 0.473 1.00 1.00 H new ATOM 0 HE2 LYS A 19 7.316 4.318 2.533 1.00 1.00 H new ATOM 0 HE3 LYS A 19 7.888 2.661 2.553 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 10.000 3.337 2.543 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 9.753 4.415 1.255 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 9.427 4.906 2.847 1.00 1.00 H new ATOM 290 N LYS A 20 12.682 0.539 -1.635 1.00 1.00 N ATOM 291 CA LYS A 20 14.133 0.752 -1.919 1.00 1.00 C ATOM 292 C LYS A 20 14.329 0.265 -3.355 1.00 1.00 C ATOM 293 O LYS A 20 14.916 -0.758 -3.642 1.00 1.00 O ATOM 294 CB LYS A 20 14.992 -0.048 -0.893 1.00 1.00 C ATOM 295 CG LYS A 20 16.502 0.259 -1.065 1.00 1.00 C ATOM 296 CD LYS A 20 16.846 1.762 -0.857 1.00 1.00 C ATOM 297 CE LYS A 20 16.406 2.259 0.538 1.00 1.00 C ATOM 298 NZ LYS A 20 17.067 1.461 1.611 1.00 1.00 N ATOM 0 H LYS A 20 12.325 -0.395 -1.837 1.00 1.00 H new ATOM 0 HA LYS A 20 14.445 1.792 -1.822 1.00 1.00 H new ATOM 0 HB2 LYS A 20 14.680 0.204 0.121 1.00 1.00 H new ATOM 0 HB3 LYS A 20 14.818 -1.116 -1.024 1.00 1.00 H new ATOM 0 HG2 LYS A 20 17.072 -0.340 -0.354 1.00 1.00 H new ATOM 0 HG3 LYS A 20 16.817 -0.045 -2.063 1.00 1.00 H new ATOM 0 HD2 LYS A 20 17.920 1.910 -0.974 1.00 1.00 H new ATOM 0 HD3 LYS A 20 16.356 2.358 -1.627 1.00 1.00 H new ATOM 0 HE2 LYS A 20 16.660 3.313 0.652 1.00 1.00 H new ATOM 0 HE3 LYS A 20 15.323 2.180 0.633 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 16.897 1.911 2.533 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 16.676 0.497 1.618 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 18.090 1.418 1.431 1.00 1.00 H new ATOM 312 N CYS A 21 13.787 1.076 -4.223 1.00 1.00 N ATOM 313 CA CYS A 21 13.839 0.826 -5.690 1.00 1.00 C ATOM 314 C CYS A 21 15.236 1.301 -6.109 1.00 1.00 C ATOM 315 O CYS A 21 15.491 2.490 -6.116 1.00 1.00 O ATOM 316 CB CYS A 21 12.680 1.634 -6.292 1.00 1.00 C ATOM 317 SG CYS A 21 12.504 1.685 -8.086 1.00 1.00 S ATOM 0 H CYS A 21 13.294 1.931 -3.964 1.00 1.00 H new ATOM 0 HA CYS A 21 13.714 -0.206 -6.019 1.00 1.00 H new ATOM 0 HB2 CYS A 21 11.752 1.239 -5.879 1.00 1.00 H new ATOM 0 HB3 CYS A 21 12.774 2.661 -5.939 1.00 1.00 H new ATOM 322 N LYS A 22 16.096 0.357 -6.442 1.00 1.00 N ATOM 323 CA LYS A 22 17.504 0.744 -6.851 1.00 1.00 C ATOM 324 C LYS A 22 18.097 0.170 -8.139 1.00 1.00 C ATOM 325 O LYS A 22 17.848 -0.956 -8.532 1.00 1.00 O ATOM 326 CB LYS A 22 18.470 0.385 -5.703 1.00 1.00 C ATOM 327 CG LYS A 22 18.312 1.361 -4.506 1.00 1.00 C ATOM 328 CD LYS A 22 19.352 2.522 -4.576 1.00 1.00 C ATOM 329 CE LYS A 22 19.353 3.251 -5.940 1.00 1.00 C ATOM 330 NZ LYS A 22 20.283 4.414 -5.889 1.00 1.00 N ATOM 0 H LYS A 22 15.896 -0.643 -6.450 1.00 1.00 H new ATOM 0 HA LYS A 22 17.399 1.808 -7.063 1.00 1.00 H new ATOM 0 HB2 LYS A 22 18.280 -0.635 -5.370 1.00 1.00 H new ATOM 0 HB3 LYS A 22 19.497 0.415 -6.066 1.00 1.00 H new ATOM 0 HG2 LYS A 22 17.303 1.774 -4.502 1.00 1.00 H new ATOM 0 HG3 LYS A 22 18.436 0.815 -3.571 1.00 1.00 H new ATOM 0 HD2 LYS A 22 19.139 3.242 -3.786 1.00 1.00 H new ATOM 0 HD3 LYS A 22 20.348 2.123 -4.383 1.00 1.00 H new ATOM 0 HE2 LYS A 22 19.658 2.564 -6.730 1.00 1.00 H new ATOM 0 HE3 LYS A 22 18.346 3.589 -6.183 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 20.281 4.901 -6.808 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 19.974 5.074 -5.147 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 21.245 4.080 -5.677 1.00 1.00 H new ATOM 344 N ARG A 23 18.892 1.035 -8.724 1.00 1.00 N ATOM 345 CA ARG A 23 19.611 0.757 -10.001 1.00 1.00 C ATOM 346 C ARG A 23 21.132 0.801 -9.815 1.00 1.00 C ATOM 347 O ARG A 23 21.653 1.467 -8.942 1.00 1.00 O ATOM 348 CB ARG A 23 19.230 1.825 -11.086 1.00 1.00 C ATOM 349 CG ARG A 23 18.658 1.169 -12.338 1.00 1.00 C ATOM 350 CD ARG A 23 19.501 0.051 -12.960 1.00 1.00 C ATOM 351 NE ARG A 23 20.819 0.553 -13.447 1.00 1.00 N ATOM 352 CZ ARG A 23 21.211 0.238 -14.656 1.00 1.00 C ATOM 353 NH1 ARG A 23 21.424 -1.013 -14.950 1.00 1.00 N ATOM 354 NH2 ARG A 23 21.385 1.175 -15.542 1.00 1.00 N ATOM 0 H ARG A 23 19.077 1.964 -8.346 1.00 1.00 H new ATOM 0 HA ARG A 23 19.313 -0.242 -10.320 1.00 1.00 H new ATOM 0 HB2 ARG A 23 18.500 2.521 -10.673 1.00 1.00 H new ATOM 0 HB3 ARG A 23 20.112 2.408 -11.350 1.00 1.00 H new ATOM 0 HG2 ARG A 23 17.676 0.763 -12.094 1.00 1.00 H new ATOM 0 HG3 ARG A 23 18.505 1.942 -13.091 1.00 1.00 H new ATOM 0 HD2 ARG A 23 19.662 -0.735 -12.223 1.00 1.00 H new ATOM 0 HD3 ARG A 23 18.954 -0.397 -13.790 1.00 1.00 H new ATOM 0 HE ARG A 23 21.406 1.133 -12.847 1.00 1.00 H new ATOM 0 HH11 ARG A 23 21.285 -1.734 -14.242 1.00 1.00 H new ATOM 0 HH12 ARG A 23 21.730 -1.272 -15.888 1.00 1.00 H new ATOM 0 HH21 ARG A 23 21.216 2.150 -15.293 1.00 1.00 H new ATOM 0 HH22 ARG A 23 21.690 0.935 -16.485 1.00 1.00 H new ATOM 368 N ARG A 24 21.769 0.060 -10.679 1.00 1.00 N ATOM 369 CA ARG A 24 23.254 -0.060 -10.716 1.00 1.00 C ATOM 370 C ARG A 24 23.722 0.000 -12.181 1.00 1.00 C ATOM 371 O ARG A 24 24.101 -0.985 -12.784 1.00 1.00 O ATOM 372 CB ARG A 24 23.682 -1.401 -9.997 1.00 1.00 C ATOM 373 CG ARG A 24 22.697 -2.608 -10.077 1.00 1.00 C ATOM 374 CD ARG A 24 22.584 -3.258 -11.467 1.00 1.00 C ATOM 375 NE ARG A 24 21.604 -2.498 -12.293 1.00 1.00 N ATOM 376 CZ ARG A 24 20.477 -3.072 -12.623 1.00 1.00 C ATOM 377 NH1 ARG A 24 19.526 -3.151 -11.732 1.00 1.00 N ATOM 378 NH2 ARG A 24 20.336 -3.547 -13.829 1.00 1.00 N ATOM 0 H ARG A 24 21.296 -0.493 -11.394 1.00 1.00 H new ATOM 0 HA ARG A 24 23.730 0.763 -10.183 1.00 1.00 H new ATOM 0 HB2 ARG A 24 24.637 -1.718 -10.417 1.00 1.00 H new ATOM 0 HB3 ARG A 24 23.855 -1.178 -8.944 1.00 1.00 H new ATOM 0 HG2 ARG A 24 23.015 -3.366 -9.362 1.00 1.00 H new ATOM 0 HG3 ARG A 24 21.707 -2.272 -9.767 1.00 1.00 H new ATOM 0 HD2 ARG A 24 23.558 -3.267 -11.956 1.00 1.00 H new ATOM 0 HD3 ARG A 24 22.266 -4.296 -11.370 1.00 1.00 H new ATOM 0 HE ARG A 24 21.809 -1.546 -12.596 1.00 1.00 H new ATOM 0 HH11 ARG A 24 19.670 -2.768 -10.797 1.00 1.00 H new ATOM 0 HH12 ARG A 24 18.639 -3.595 -11.970 1.00 1.00 H new ATOM 0 HH21 ARG A 24 21.100 -3.468 -14.501 1.00 1.00 H new ATOM 0 HH22 ARG A 24 19.462 -3.998 -14.101 1.00 1.00 H new ATOM 392 N GLY A 25 23.668 1.204 -12.701 1.00 1.00 N ATOM 393 CA GLY A 25 24.069 1.494 -14.100 1.00 1.00 C ATOM 394 C GLY A 25 23.577 2.873 -14.545 1.00 1.00 C ATOM 395 O GLY A 25 23.258 3.721 -13.734 1.00 1.00 O ATOM 0 H GLY A 25 23.348 2.024 -12.185 1.00 1.00 H new ATOM 0 HA2 GLY A 25 25.155 1.448 -14.186 1.00 1.00 H new ATOM 0 HA3 GLY A 25 23.663 0.730 -14.763 1.00 1.00 H new ATOM 399 N THR A 26 23.534 3.037 -15.842 1.00 1.00 N ATOM 400 CA THR A 26 23.084 4.320 -16.457 1.00 1.00 C ATOM 401 C THR A 26 21.557 4.417 -16.594 1.00 1.00 C ATOM 402 O THR A 26 20.981 5.441 -16.280 1.00 1.00 O ATOM 403 CB THR A 26 23.788 4.447 -17.843 1.00 1.00 C ATOM 404 OG1 THR A 26 23.324 5.678 -18.382 1.00 1.00 O ATOM 405 CG2 THR A 26 23.336 3.382 -18.868 1.00 1.00 C ATOM 0 H THR A 26 23.798 2.318 -16.515 1.00 1.00 H new ATOM 0 HA THR A 26 23.363 5.147 -15.803 1.00 1.00 H new ATOM 0 HB THR A 26 24.863 4.351 -17.689 1.00 1.00 H new ATOM 0 HG1 THR A 26 23.731 5.824 -19.261 1.00 1.00 H new ATOM 0 HG21 THR A 26 23.867 3.533 -19.808 1.00 1.00 H new ATOM 0 HG22 THR A 26 23.558 2.387 -18.481 1.00 1.00 H new ATOM 0 HG23 THR A 26 22.263 3.474 -19.039 1.00 1.00 H new ATOM 413 N ASN A 27 20.950 3.357 -17.055 1.00 1.00 N ATOM 414 CA ASN A 27 19.461 3.345 -17.228 1.00 1.00 C ATOM 415 C ASN A 27 18.816 3.328 -15.836 1.00 1.00 C ATOM 416 O ASN A 27 19.278 2.609 -14.978 1.00 1.00 O ATOM 417 CB ASN A 27 19.058 2.088 -18.015 1.00 1.00 C ATOM 418 CG ASN A 27 19.814 2.053 -19.347 1.00 1.00 C ATOM 419 OD1 ASN A 27 19.637 2.898 -20.202 1.00 1.00 O ATOM 420 ND2 ASN A 27 20.669 1.091 -19.560 1.00 1.00 N ATOM 0 H ASN A 27 21.420 2.492 -17.322 1.00 1.00 H new ATOM 0 HA ASN A 27 19.128 4.226 -17.776 1.00 1.00 H new ATOM 0 HB2 ASN A 27 19.284 1.194 -17.433 1.00 1.00 H new ATOM 0 HB3 ASN A 27 17.983 2.088 -18.195 1.00 1.00 H new ATOM 0 HD21 ASN A 27 21.184 1.052 -20.440 1.00 1.00 H new ATOM 0 HD22 ASN A 27 20.823 0.378 -18.847 1.00 1.00 H new ATOM 427 N ILE A 28 17.780 4.104 -15.633 1.00 1.00 N ATOM 428 CA ILE A 28 17.112 4.132 -14.287 1.00 1.00 C ATOM 429 C ILE A 28 16.328 2.884 -13.942 1.00 1.00 C ATOM 430 O ILE A 28 16.301 2.538 -12.785 1.00 1.00 O ATOM 431 CB ILE A 28 16.129 5.289 -14.160 1.00 1.00 C ATOM 432 CG1 ILE A 28 16.771 6.590 -14.627 1.00 1.00 C ATOM 433 CG2 ILE A 28 15.767 5.425 -12.637 1.00 1.00 C ATOM 434 CD1 ILE A 28 15.633 7.604 -14.836 1.00 1.00 C ATOM 0 H ILE A 28 17.367 4.718 -16.335 1.00 1.00 H new ATOM 0 HA ILE A 28 17.954 4.230 -13.602 1.00 1.00 H new ATOM 0 HB ILE A 28 15.247 5.098 -14.771 1.00 1.00 H new ATOM 0 HG12 ILE A 28 17.483 6.956 -13.887 1.00 1.00 H new ATOM 0 HG13 ILE A 28 17.325 6.436 -15.553 1.00 1.00 H new ATOM 0 HG21 ILE A 28 15.062 6.246 -12.502 1.00 1.00 H new ATOM 0 HG22 ILE A 28 15.315 4.497 -12.286 1.00 1.00 H new ATOM 0 HG23 ILE A 28 16.672 5.626 -12.064 1.00 1.00 H new ATOM 0 HD11 ILE A 28 16.049 8.554 -15.172 1.00 1.00 H new ATOM 0 HD12 ILE A 28 14.941 7.225 -15.588 1.00 1.00 H new ATOM 0 HD13 ILE A 28 15.101 7.753 -13.896 1.00 1.00 H new ATOM 446 N GLU A 29 15.723 2.258 -14.917 1.00 1.00 N ATOM 447 CA GLU A 29 14.915 1.012 -14.687 1.00 1.00 C ATOM 448 C GLU A 29 15.589 0.131 -13.614 1.00 1.00 C ATOM 449 O GLU A 29 16.457 -0.674 -13.891 1.00 1.00 O ATOM 450 CB GLU A 29 14.807 0.271 -16.045 1.00 1.00 C ATOM 451 CG GLU A 29 16.165 0.370 -16.799 1.00 1.00 C ATOM 452 CD GLU A 29 16.180 -0.545 -18.036 1.00 1.00 C ATOM 453 OE1 GLU A 29 16.075 -1.744 -17.829 1.00 1.00 O ATOM 454 OE2 GLU A 29 16.297 0.005 -19.119 1.00 1.00 O ATOM 0 H GLU A 29 15.753 2.563 -15.890 1.00 1.00 H new ATOM 0 HA GLU A 29 13.918 1.254 -14.319 1.00 1.00 H new ATOM 0 HB2 GLU A 29 14.545 -0.774 -15.881 1.00 1.00 H new ATOM 0 HB3 GLU A 29 14.011 0.708 -16.648 1.00 1.00 H new ATOM 0 HG2 GLU A 29 16.341 1.402 -17.104 1.00 1.00 H new ATOM 0 HG3 GLU A 29 16.978 0.093 -16.128 1.00 1.00 H new ATOM 461 N LYS A 30 15.130 0.346 -12.400 1.00 1.00 N ATOM 462 CA LYS A 30 15.669 -0.395 -11.221 1.00 1.00 C ATOM 463 C LYS A 30 14.830 -1.533 -10.706 1.00 1.00 C ATOM 464 O LYS A 30 13.778 -1.821 -11.236 1.00 1.00 O ATOM 465 CB LYS A 30 15.914 0.598 -10.068 1.00 1.00 C ATOM 466 CG LYS A 30 14.798 1.524 -9.719 1.00 1.00 C ATOM 467 CD LYS A 30 14.957 2.848 -10.443 1.00 1.00 C ATOM 468 CE LYS A 30 14.332 3.932 -9.611 1.00 1.00 C ATOM 469 NZ LYS A 30 15.098 4.113 -8.347 1.00 1.00 N ATOM 0 H LYS A 30 14.393 1.015 -12.178 1.00 1.00 H new ATOM 0 HA LYS A 30 16.586 -0.859 -11.584 1.00 1.00 H new ATOM 0 HB2 LYS A 30 16.169 0.025 -9.177 1.00 1.00 H new ATOM 0 HB3 LYS A 30 16.787 1.200 -10.320 1.00 1.00 H new ATOM 0 HG2 LYS A 30 13.844 1.069 -9.986 1.00 1.00 H new ATOM 0 HG3 LYS A 30 14.781 1.692 -8.642 1.00 1.00 H new ATOM 0 HD2 LYS A 30 16.012 3.062 -10.611 1.00 1.00 H new ATOM 0 HD3 LYS A 30 14.481 2.802 -11.423 1.00 1.00 H new ATOM 0 HE2 LYS A 30 14.314 4.867 -10.171 1.00 1.00 H new ATOM 0 HE3 LYS A 30 13.297 3.676 -9.385 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 14.970 5.085 -8.000 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 14.752 3.441 -7.632 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 16.108 3.939 -8.525 1.00 1.00 H new ATOM 483 N ARG A 31 15.354 -2.135 -9.668 1.00 1.00 N ATOM 484 CA ARG A 31 14.674 -3.275 -9.033 1.00 1.00 C ATOM 485 C ARG A 31 14.120 -2.884 -7.672 1.00 1.00 C ATOM 486 O ARG A 31 14.347 -1.789 -7.191 1.00 1.00 O ATOM 487 CB ARG A 31 15.640 -4.449 -8.871 1.00 1.00 C ATOM 488 CG ARG A 31 16.799 -4.080 -7.942 1.00 1.00 C ATOM 489 CD ARG A 31 17.584 -5.344 -7.679 1.00 1.00 C ATOM 490 NE ARG A 31 18.276 -5.750 -8.940 1.00 1.00 N ATOM 491 CZ ARG A 31 19.580 -5.766 -8.992 1.00 1.00 C ATOM 492 NH1 ARG A 31 20.209 -4.678 -9.342 1.00 1.00 N ATOM 493 NH2 ARG A 31 20.210 -6.868 -8.693 1.00 1.00 N ATOM 0 H ARG A 31 16.239 -1.871 -9.236 1.00 1.00 H new ATOM 0 HA ARG A 31 13.848 -3.574 -9.678 1.00 1.00 H new ATOM 0 HB2 ARG A 31 15.107 -5.311 -8.469 1.00 1.00 H new ATOM 0 HB3 ARG A 31 16.030 -4.742 -9.846 1.00 1.00 H new ATOM 0 HG2 ARG A 31 17.434 -3.322 -8.402 1.00 1.00 H new ATOM 0 HG3 ARG A 31 16.425 -3.659 -7.009 1.00 1.00 H new ATOM 0 HD2 ARG A 31 18.312 -5.178 -6.885 1.00 1.00 H new ATOM 0 HD3 ARG A 31 16.919 -6.138 -7.341 1.00 1.00 H new ATOM 0 HE ARG A 31 17.729 -6.014 -9.760 1.00 1.00 H new ATOM 0 HH11 ARG A 31 19.682 -3.835 -9.569 1.00 1.00 H new ATOM 0 HH12 ARG A 31 21.228 -4.671 -9.389 1.00 1.00 H new ATOM 0 HH21 ARG A 31 19.684 -7.699 -8.424 1.00 1.00 H new ATOM 0 HH22 ARG A 31 21.229 -6.899 -8.728 1.00 1.00 H new ATOM 507 N CYS A 32 13.446 -3.859 -7.124 1.00 1.00 N ATOM 508 CA CYS A 32 12.766 -3.763 -5.806 1.00 1.00 C ATOM 509 C CYS A 32 13.462 -4.345 -4.576 1.00 1.00 C ATOM 510 O CYS A 32 13.463 -5.543 -4.366 1.00 1.00 O ATOM 511 CB CYS A 32 11.378 -4.427 -5.965 1.00 1.00 C ATOM 512 SG CYS A 32 9.889 -3.402 -5.950 1.00 1.00 S ATOM 0 H CYS A 32 13.336 -4.771 -7.568 1.00 1.00 H new ATOM 0 HA CYS A 32 12.747 -2.697 -5.581 1.00 1.00 H new ATOM 0 HB2 CYS A 32 11.386 -4.977 -6.906 1.00 1.00 H new ATOM 0 HB3 CYS A 32 11.275 -5.163 -5.167 1.00 1.00 H new ATOM 517 N ARG A 33 14.036 -3.463 -3.801 1.00 1.00 N ATOM 518 CA ARG A 33 14.743 -3.866 -2.559 1.00 1.00 C ATOM 519 C ARG A 33 13.968 -3.256 -1.363 1.00 1.00 C ATOM 520 O ARG A 33 13.072 -2.449 -1.602 1.00 1.00 O ATOM 521 CB ARG A 33 16.184 -3.321 -2.594 1.00 1.00 C ATOM 522 CG ARG A 33 16.937 -3.715 -3.892 1.00 1.00 C ATOM 523 CD ARG A 33 16.925 -5.240 -4.112 1.00 1.00 C ATOM 524 NE ARG A 33 17.461 -5.920 -2.896 1.00 1.00 N ATOM 525 CZ ARG A 33 18.503 -6.700 -2.993 1.00 1.00 C ATOM 526 NH1 ARG A 33 18.330 -7.937 -3.372 1.00 1.00 N ATOM 527 NH2 ARG A 33 19.680 -6.217 -2.707 1.00 1.00 N ATOM 528 OXT ARG A 33 14.324 -3.633 -0.259 1.00 1.00 O ATOM 0 H ARG A 33 14.042 -2.460 -3.985 1.00 1.00 H new ATOM 0 HA ARG A 33 14.787 -4.951 -2.466 1.00 1.00 H new ATOM 0 HB2 ARG A 33 16.160 -2.235 -2.507 1.00 1.00 H new ATOM 0 HB3 ARG A 33 16.733 -3.698 -1.731 1.00 1.00 H new ATOM 0 HG2 ARG A 33 16.475 -3.220 -4.746 1.00 1.00 H new ATOM 0 HG3 ARG A 33 17.967 -3.362 -3.837 1.00 1.00 H new ATOM 0 HD2 ARG A 33 15.910 -5.581 -4.315 1.00 1.00 H new ATOM 0 HD3 ARG A 33 17.529 -5.498 -4.982 1.00 1.00 H new ATOM 0 HE ARG A 33 17.014 -5.775 -1.991 1.00 1.00 H new ATOM 0 HH11 ARG A 33 17.393 -8.278 -3.586 1.00 1.00 H new ATOM 0 HH12 ARG A 33 19.132 -8.562 -3.454 1.00 1.00 H new ATOM 0 HH21 ARG A 33 19.775 -5.245 -2.413 1.00 1.00 H new ATOM 0 HH22 ARG A 33 20.506 -6.811 -2.777 1.00 1.00 H new