USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 448 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 NoAdj-H: A 47 HIS HE2 : A 47 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0718 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00999 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0455) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0809 X(o=-0.081,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.59 K(o=-1.6,f=-3) USER MOD Single : A 25 MET CE :methyl 173:sc= 0 (180deg=-0.0889) USER MOD Single : A 26 MET CE :methyl -171:sc= 0 (180deg=-0.0608) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.0275 (180deg=-0.247) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.05 K(o=-1.1,f=-8.7!) USER MOD Single : A 40 LYS NZ :NH3+ -125:sc= -0.202 (180deg=-1.62) USER MOD Single : A 41 HIS : no HD1:sc= -6.38 K(o=-6.4,f=-8.5!) USER MOD Single : A 43 HIS : no HD1:sc= -2.93! C(o=-2.9!,f=-4.6!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HE2:sc= -2.27! C(o=-2.3!,f=-5.2!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc=0.000766 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.062 -14.150 11.690 1.00 0.00 N ATOM 2 CA GLY A 1 -24.821 -13.961 10.468 1.00 0.00 C ATOM 3 C GLY A 1 -24.344 -12.767 9.667 1.00 0.00 C ATOM 4 O GLY A 1 -23.570 -11.948 10.162 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.566 -15.063 11.653 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.367 -13.383 11.789 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.708 -14.140 12.505 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.746 -14.859 9.855 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.875 -13.831 10.715 1.00 0.00 H new ATOM 8 N SER A 2 -24.805 -12.667 8.424 1.00 0.00 N ATOM 9 CA SER A 2 -24.415 -11.567 7.550 1.00 0.00 C ATOM 10 C SER A 2 -25.609 -10.666 7.246 1.00 0.00 C ATOM 11 O SER A 2 -26.720 -11.145 7.022 1.00 0.00 O ATOM 12 CB SER A 2 -23.824 -12.107 6.246 1.00 0.00 C ATOM 13 OG SER A 2 -24.774 -12.887 5.541 1.00 0.00 O ATOM 0 H SER A 2 -25.449 -13.335 8.000 1.00 0.00 H new ATOM 0 HA SER A 2 -23.658 -10.977 8.066 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.494 -11.277 5.621 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.943 -12.711 6.465 1.00 0.00 H new ATOM 0 HG SER A 2 -24.373 -13.219 4.711 1.00 0.00 H new ATOM 19 N SER A 3 -25.369 -9.359 7.240 1.00 0.00 N ATOM 20 CA SER A 3 -26.424 -8.390 6.967 1.00 0.00 C ATOM 21 C SER A 3 -25.870 -7.178 6.223 1.00 0.00 C ATOM 22 O SER A 3 -24.693 -6.843 6.350 1.00 0.00 O ATOM 23 CB SER A 3 -27.085 -7.942 8.273 1.00 0.00 C ATOM 24 OG SER A 3 -27.901 -6.802 8.067 1.00 0.00 O ATOM 0 H SER A 3 -24.454 -8.947 7.421 1.00 0.00 H new ATOM 0 HA SER A 3 -27.171 -8.872 6.336 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.687 -8.756 8.677 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.318 -7.715 9.013 1.00 0.00 H new ATOM 0 HG SER A 3 -28.313 -6.537 8.916 1.00 0.00 H new ATOM 30 N GLY A 4 -26.728 -6.525 5.446 1.00 0.00 N ATOM 31 CA GLY A 4 -26.308 -5.358 4.693 1.00 0.00 C ATOM 32 C GLY A 4 -25.603 -5.725 3.401 1.00 0.00 C ATOM 33 O GLY A 4 -25.685 -6.865 2.944 1.00 0.00 O ATOM 0 H GLY A 4 -27.707 -6.783 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.179 -4.743 4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.642 -4.753 5.308 1.00 0.00 H new ATOM 37 N SER A 5 -24.911 -4.756 2.811 1.00 0.00 N ATOM 38 CA SER A 5 -24.194 -4.981 1.561 1.00 0.00 C ATOM 39 C SER A 5 -22.709 -4.672 1.723 1.00 0.00 C ATOM 40 O SER A 5 -22.335 -3.599 2.197 1.00 0.00 O ATOM 41 CB SER A 5 -24.788 -4.118 0.446 1.00 0.00 C ATOM 42 OG SER A 5 -24.624 -4.737 -0.819 1.00 0.00 O ATOM 0 H SER A 5 -24.831 -3.808 3.178 1.00 0.00 H new ATOM 0 HA SER A 5 -24.301 -6.032 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.848 -3.949 0.637 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.305 -3.141 0.442 1.00 0.00 H new ATOM 0 HG SER A 5 -25.013 -4.167 -1.515 1.00 0.00 H new ATOM 48 N SER A 6 -21.867 -5.621 1.327 1.00 0.00 N ATOM 49 CA SER A 6 -20.422 -5.453 1.431 1.00 0.00 C ATOM 50 C SER A 6 -19.783 -5.373 0.048 1.00 0.00 C ATOM 51 O SER A 6 -20.330 -5.879 -0.931 1.00 0.00 O ATOM 52 CB SER A 6 -19.809 -6.610 2.222 1.00 0.00 C ATOM 53 OG SER A 6 -19.858 -6.358 3.616 1.00 0.00 O ATOM 0 H SER A 6 -22.160 -6.514 0.931 1.00 0.00 H new ATOM 0 HA SER A 6 -20.227 -4.518 1.957 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.345 -7.532 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.775 -6.758 1.912 1.00 0.00 H new ATOM 0 HG SER A 6 -19.462 -7.113 4.099 1.00 0.00 H new ATOM 59 N GLY A 7 -18.621 -4.731 -0.023 1.00 0.00 N ATOM 60 CA GLY A 7 -17.926 -4.595 -1.290 1.00 0.00 C ATOM 61 C GLY A 7 -16.486 -5.063 -1.214 1.00 0.00 C ATOM 62 O GLY A 7 -15.589 -4.426 -1.767 1.00 0.00 O ATOM 0 H GLY A 7 -18.149 -4.303 0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.452 -5.169 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.950 -3.551 -1.604 1.00 0.00 H new ATOM 66 N ARG A 8 -16.263 -6.178 -0.527 1.00 0.00 N ATOM 67 CA ARG A 8 -14.922 -6.729 -0.378 1.00 0.00 C ATOM 68 C ARG A 8 -14.517 -7.517 -1.621 1.00 0.00 C ATOM 69 O ARG A 8 -14.615 -8.743 -1.651 1.00 0.00 O ATOM 70 CB ARG A 8 -14.851 -7.631 0.856 1.00 0.00 C ATOM 71 CG ARG A 8 -15.153 -6.907 2.158 1.00 0.00 C ATOM 72 CD ARG A 8 -14.421 -7.541 3.330 1.00 0.00 C ATOM 73 NE ARG A 8 -15.068 -8.771 3.779 1.00 0.00 N ATOM 74 CZ ARG A 8 -14.812 -9.353 4.945 1.00 0.00 C ATOM 75 NH1 ARG A 8 -13.927 -8.819 5.776 1.00 0.00 N ATOM 76 NH2 ARG A 8 -15.442 -10.471 5.282 1.00 0.00 N ATOM 0 H ARG A 8 -16.994 -6.718 -0.064 1.00 0.00 H new ATOM 0 HA ARG A 8 -14.227 -5.898 -0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.556 -8.453 0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.856 -8.071 0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -14.863 -5.860 2.069 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -16.227 -6.925 2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.393 -7.757 3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.377 -6.832 4.157 1.00 0.00 H new ATOM 0 HE ARG A 8 -15.754 -9.207 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.441 -7.959 5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.732 -9.268 6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.123 -10.884 4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.245 -10.917 6.178 1.00 0.00 H new ATOM 90 N LYS A 9 -14.061 -6.803 -2.644 1.00 0.00 N ATOM 91 CA LYS A 9 -13.640 -7.433 -3.890 1.00 0.00 C ATOM 92 C LYS A 9 -12.141 -7.257 -4.109 1.00 0.00 C ATOM 93 O LYS A 9 -11.547 -6.282 -3.648 1.00 0.00 O ATOM 94 CB LYS A 9 -14.412 -6.841 -5.071 1.00 0.00 C ATOM 95 CG LYS A 9 -14.334 -7.685 -6.332 1.00 0.00 C ATOM 96 CD LYS A 9 -14.836 -6.920 -7.546 1.00 0.00 C ATOM 97 CE LYS A 9 -14.902 -7.811 -8.777 1.00 0.00 C ATOM 98 NZ LYS A 9 -13.557 -8.310 -9.174 1.00 0.00 N ATOM 0 H LYS A 9 -13.973 -5.787 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.856 -8.499 -3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.458 -6.722 -4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.024 -5.845 -5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.303 -7.998 -6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.925 -8.591 -6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.825 -6.512 -7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.177 -6.074 -7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.559 -8.658 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.342 -7.255 -9.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.627 -8.814 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.904 -7.507 -9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.198 -8.959 -8.445 1.00 0.00 H new ATOM 112 N ILE A 10 -11.535 -8.206 -4.816 1.00 0.00 N ATOM 113 CA ILE A 10 -10.106 -8.153 -5.098 1.00 0.00 C ATOM 114 C ILE A 10 -9.810 -7.219 -6.266 1.00 0.00 C ATOM 115 O ILE A 10 -9.028 -7.550 -7.158 1.00 0.00 O ATOM 116 CB ILE A 10 -9.544 -9.551 -5.418 1.00 0.00 C ATOM 117 CG1 ILE A 10 -10.254 -10.144 -6.636 1.00 0.00 C ATOM 118 CG2 ILE A 10 -9.690 -10.469 -4.213 1.00 0.00 C ATOM 119 CD1 ILE A 10 -9.525 -11.319 -7.248 1.00 0.00 C ATOM 0 H ILE A 10 -12.012 -9.020 -5.204 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.621 -7.772 -4.200 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.483 -9.455 -5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.255 -10.460 -6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -10.372 -9.367 -7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.288 -11.453 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.142 -10.051 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.744 -10.561 -3.952 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.086 -11.688 -8.107 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.533 -11.003 -7.571 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.430 -12.114 -6.508 1.00 0.00 H new ATOM 131 N PHE A 11 -10.440 -6.048 -6.255 1.00 0.00 N ATOM 132 CA PHE A 11 -10.243 -5.065 -7.313 1.00 0.00 C ATOM 133 C PHE A 11 -9.206 -4.024 -6.903 1.00 0.00 C ATOM 134 O PHE A 11 -8.363 -3.620 -7.704 1.00 0.00 O ATOM 135 CB PHE A 11 -11.568 -4.376 -7.650 1.00 0.00 C ATOM 136 CG PHE A 11 -11.923 -3.264 -6.705 1.00 0.00 C ATOM 137 CD1 PHE A 11 -12.371 -3.543 -5.424 1.00 0.00 C ATOM 138 CD2 PHE A 11 -11.809 -1.940 -7.098 1.00 0.00 C ATOM 139 CE1 PHE A 11 -12.699 -2.522 -4.552 1.00 0.00 C ATOM 140 CE2 PHE A 11 -12.134 -0.915 -6.230 1.00 0.00 C ATOM 141 CZ PHE A 11 -12.581 -1.206 -4.956 1.00 0.00 C ATOM 0 H PHE A 11 -11.091 -5.758 -5.525 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.877 -5.588 -8.197 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -11.514 -3.978 -8.663 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.366 -5.118 -7.642 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.465 -4.570 -5.103 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.462 -1.707 -8.094 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.047 -2.753 -3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.039 0.113 -6.548 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.838 -0.406 -4.277 1.00 0.00 H new ATOM 151 N THR A 12 -9.274 -3.592 -5.647 1.00 0.00 N ATOM 152 CA THR A 12 -8.344 -2.597 -5.129 1.00 0.00 C ATOM 153 C THR A 12 -6.899 -3.049 -5.310 1.00 0.00 C ATOM 154 O THR A 12 -6.630 -4.232 -5.515 1.00 0.00 O ATOM 155 CB THR A 12 -8.598 -2.314 -3.637 1.00 0.00 C ATOM 156 OG1 THR A 12 -8.618 -3.542 -2.901 1.00 0.00 O ATOM 157 CG2 THR A 12 -9.915 -1.578 -3.442 1.00 0.00 C ATOM 0 H THR A 12 -9.964 -3.916 -4.970 1.00 0.00 H new ATOM 0 HA THR A 12 -8.510 -1.682 -5.698 1.00 0.00 H new ATOM 0 HB THR A 12 -7.790 -1.683 -3.267 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.778 -3.353 -1.953 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.073 -1.389 -2.380 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.885 -0.630 -3.979 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.733 -2.187 -3.827 1.00 0.00 H new ATOM 165 N ASN A 13 -5.973 -2.099 -5.232 1.00 0.00 N ATOM 166 CA ASN A 13 -4.554 -2.400 -5.388 1.00 0.00 C ATOM 167 C ASN A 13 -3.817 -2.249 -4.060 1.00 0.00 C ATOM 168 O ASN A 13 -4.161 -1.398 -3.240 1.00 0.00 O ATOM 169 CB ASN A 13 -3.929 -1.482 -6.439 1.00 0.00 C ATOM 170 CG ASN A 13 -4.879 -1.179 -7.582 1.00 0.00 C ATOM 171 OD1 ASN A 13 -5.267 -2.073 -8.334 1.00 0.00 O ATOM 172 ND2 ASN A 13 -5.258 0.086 -7.716 1.00 0.00 N ATOM 0 H ASN A 13 -6.179 -1.115 -5.062 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.461 -3.434 -5.719 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.624 -0.548 -5.966 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.027 -1.949 -6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.897 0.350 -8.466 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.911 0.794 -7.069 1.00 0.00 H new ATOM 179 N LYS A 14 -2.801 -3.080 -3.856 1.00 0.00 N ATOM 180 CA LYS A 14 -2.013 -3.038 -2.630 1.00 0.00 C ATOM 181 C LYS A 14 -0.687 -2.321 -2.860 1.00 0.00 C ATOM 182 O LYS A 14 0.110 -2.723 -3.708 1.00 0.00 O ATOM 183 CB LYS A 14 -1.755 -4.457 -2.117 1.00 0.00 C ATOM 184 CG LYS A 14 -1.012 -4.499 -0.793 1.00 0.00 C ATOM 185 CD LYS A 14 -0.148 -5.744 -0.677 1.00 0.00 C ATOM 186 CE LYS A 14 0.824 -5.641 0.488 1.00 0.00 C ATOM 187 NZ LYS A 14 1.863 -6.707 0.439 1.00 0.00 N ATOM 0 H LYS A 14 -2.504 -3.791 -4.524 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.580 -2.485 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.709 -4.973 -2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.181 -5.006 -2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.387 -3.611 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.728 -4.474 0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.785 -6.619 -0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.407 -5.891 -1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.306 -4.663 0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.275 -5.712 1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.506 -6.603 1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.405 -7.640 0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.404 -6.624 -0.445 1.00 0.00 H new ATOM 201 N CYS A 15 -0.455 -1.257 -2.098 1.00 0.00 N ATOM 202 CA CYS A 15 0.775 -0.483 -2.217 1.00 0.00 C ATOM 203 C CYS A 15 1.997 -1.397 -2.188 1.00 0.00 C ATOM 204 O CYS A 15 1.944 -2.504 -1.653 1.00 0.00 O ATOM 205 CB CYS A 15 0.867 0.545 -1.088 1.00 0.00 C ATOM 206 SG CYS A 15 2.381 1.558 -1.126 1.00 0.00 S ATOM 0 H CYS A 15 -1.104 -0.911 -1.391 1.00 0.00 H new ATOM 0 HA CYS A 15 0.755 0.039 -3.174 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.000 1.204 -1.140 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.815 0.024 -0.132 1.00 0.00 H new ATOM 211 N GLU A 16 3.097 -0.924 -2.767 1.00 0.00 N ATOM 212 CA GLU A 16 4.331 -1.699 -2.807 1.00 0.00 C ATOM 213 C GLU A 16 5.368 -1.120 -1.849 1.00 0.00 C ATOM 214 O GLU A 16 6.572 -1.282 -2.049 1.00 0.00 O ATOM 215 CB GLU A 16 4.895 -1.728 -4.229 1.00 0.00 C ATOM 216 CG GLU A 16 3.944 -2.334 -5.249 1.00 0.00 C ATOM 217 CD GLU A 16 4.665 -2.883 -6.464 1.00 0.00 C ATOM 218 OE1 GLU A 16 5.654 -3.624 -6.284 1.00 0.00 O ATOM 219 OE2 GLU A 16 4.239 -2.572 -7.596 1.00 0.00 O ATOM 0 H GLU A 16 3.158 -0.009 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 16 4.101 -2.717 -2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.141 -0.711 -4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.826 -2.296 -4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.373 -3.134 -4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.228 -1.576 -5.568 1.00 0.00 H new ATOM 226 N ARG A 17 4.892 -0.445 -0.808 1.00 0.00 N ATOM 227 CA ARG A 17 5.777 0.160 0.180 1.00 0.00 C ATOM 228 C ARG A 17 5.779 -0.648 1.474 1.00 0.00 C ATOM 229 O ARG A 17 4.787 -1.288 1.820 1.00 0.00 O ATOM 230 CB ARG A 17 5.348 1.600 0.466 1.00 0.00 C ATOM 231 CG ARG A 17 6.506 2.523 0.808 1.00 0.00 C ATOM 232 CD ARG A 17 6.760 2.567 2.307 1.00 0.00 C ATOM 233 NE ARG A 17 7.265 3.867 2.739 1.00 0.00 N ATOM 234 CZ ARG A 17 7.948 4.054 3.863 1.00 0.00 C ATOM 235 NH1 ARG A 17 8.206 3.029 4.664 1.00 0.00 N ATOM 236 NH2 ARG A 17 8.375 5.268 4.188 1.00 0.00 N ATOM 0 H ARG A 17 3.898 -0.303 -0.627 1.00 0.00 H new ATOM 0 HA ARG A 17 6.788 0.164 -0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.825 1.994 -0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.637 1.601 1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.406 2.184 0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.291 3.528 0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.835 2.343 2.838 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.478 1.792 2.576 1.00 0.00 H new ATOM 0 HE ARG A 17 7.083 4.676 2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.880 2.094 4.418 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.731 3.175 5.526 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.179 6.059 3.574 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.899 5.410 5.051 1.00 0.00 H new ATOM 250 N ALA A 18 6.902 -0.614 2.185 1.00 0.00 N ATOM 251 CA ALA A 18 7.033 -1.342 3.441 1.00 0.00 C ATOM 252 C ALA A 18 6.221 -0.677 4.548 1.00 0.00 C ATOM 253 O ALA A 18 6.183 0.548 4.653 1.00 0.00 O ATOM 254 CB ALA A 18 8.497 -1.440 3.844 1.00 0.00 C ATOM 0 H ALA A 18 7.734 -0.090 1.912 1.00 0.00 H new ATOM 0 HA ALA A 18 6.640 -2.348 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.580 -1.986 4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.053 -1.966 3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.908 -0.438 3.969 1.00 0.00 H new ATOM 260 N GLY A 19 5.572 -1.494 5.372 1.00 0.00 N ATOM 261 CA GLY A 19 4.769 -0.966 6.460 1.00 0.00 C ATOM 262 C GLY A 19 3.654 -0.063 5.972 1.00 0.00 C ATOM 263 O GLY A 19 3.349 0.953 6.597 1.00 0.00 O ATOM 0 H GLY A 19 5.588 -2.512 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.341 -1.793 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.410 -0.410 7.144 1.00 0.00 H new ATOM 267 N CYS A 20 3.044 -0.431 4.850 1.00 0.00 N ATOM 268 CA CYS A 20 1.958 0.354 4.276 1.00 0.00 C ATOM 269 C CYS A 20 0.805 -0.548 3.844 1.00 0.00 C ATOM 270 O CYS A 20 -0.305 -0.446 4.367 1.00 0.00 O ATOM 271 CB CYS A 20 2.463 1.163 3.080 1.00 0.00 C ATOM 272 SG CYS A 20 1.392 2.566 2.627 1.00 0.00 S ATOM 0 H CYS A 20 3.284 -1.269 4.320 1.00 0.00 H new ATOM 0 HA CYS A 20 1.593 1.039 5.041 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.461 1.539 3.305 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.558 0.500 2.220 1.00 0.00 H new ATOM 277 N ARG A 21 1.077 -1.429 2.888 1.00 0.00 N ATOM 278 CA ARG A 21 0.062 -2.348 2.385 1.00 0.00 C ATOM 279 C ARG A 21 -1.281 -1.641 2.226 1.00 0.00 C ATOM 280 O ARG A 21 -2.337 -2.251 2.391 1.00 0.00 O ATOM 281 CB ARG A 21 -0.087 -3.543 3.328 1.00 0.00 C ATOM 282 CG ARG A 21 -0.616 -3.171 4.703 1.00 0.00 C ATOM 283 CD ARG A 21 -0.720 -4.389 5.608 1.00 0.00 C ATOM 284 NE ARG A 21 -1.455 -4.097 6.836 1.00 0.00 N ATOM 285 CZ ARG A 21 -1.315 -4.793 7.959 1.00 0.00 C ATOM 286 NH1 ARG A 21 -0.472 -5.815 8.009 1.00 0.00 N ATOM 287 NH2 ARG A 21 -2.019 -4.467 9.036 1.00 0.00 N ATOM 0 H ARG A 21 1.991 -1.527 2.446 1.00 0.00 H new ATOM 0 HA ARG A 21 0.384 -2.704 1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.759 -4.271 2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.882 -4.030 3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.042 -2.432 5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.597 -2.706 4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.217 -5.198 5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.281 -4.740 5.859 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.111 -3.316 6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.071 -6.069 7.184 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.367 -6.347 8.873 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.669 -3.681 9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.911 -5.002 9.897 1.00 0.00 H new ATOM 301 N GLN A 22 -1.231 -0.352 1.906 1.00 0.00 N ATOM 302 CA GLN A 22 -2.444 0.438 1.727 1.00 0.00 C ATOM 303 C GLN A 22 -3.335 -0.170 0.649 1.00 0.00 C ATOM 304 O GLN A 22 -2.922 -1.080 -0.071 1.00 0.00 O ATOM 305 CB GLN A 22 -2.089 1.880 1.359 1.00 0.00 C ATOM 306 CG GLN A 22 -2.068 2.824 2.551 1.00 0.00 C ATOM 307 CD GLN A 22 -3.236 2.602 3.491 1.00 0.00 C ATOM 308 OE1 GLN A 22 -4.368 2.390 3.055 1.00 0.00 O ATOM 309 NE2 GLN A 22 -2.968 2.651 4.791 1.00 0.00 N ATOM 0 H GLN A 22 -0.364 0.167 1.765 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.992 0.435 2.669 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.111 1.893 0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.809 2.247 0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.135 2.691 3.099 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.084 3.854 2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.015 2.829 5.109 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.715 2.510 5.471 1.00 0.00 H new ATOM 318 N ARG A 23 -4.558 0.338 0.543 1.00 0.00 N ATOM 319 CA ARG A 23 -5.508 -0.156 -0.446 1.00 0.00 C ATOM 320 C ARG A 23 -6.178 1.001 -1.182 1.00 0.00 C ATOM 321 O ARG A 23 -7.265 1.439 -0.808 1.00 0.00 O ATOM 322 CB ARG A 23 -6.569 -1.030 0.226 1.00 0.00 C ATOM 323 CG ARG A 23 -6.198 -2.503 0.281 1.00 0.00 C ATOM 324 CD ARG A 23 -6.999 -3.239 1.344 1.00 0.00 C ATOM 325 NE ARG A 23 -8.373 -3.491 0.918 1.00 0.00 N ATOM 326 CZ ARG A 23 -9.132 -4.458 1.420 1.00 0.00 C ATOM 327 NH1 ARG A 23 -8.654 -5.261 2.360 1.00 0.00 N ATOM 328 NH2 ARG A 23 -10.373 -4.624 0.981 1.00 0.00 N ATOM 0 H ARG A 23 -4.915 1.092 1.130 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.959 -0.756 -1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.737 -0.668 1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.511 -0.921 -0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.376 -2.961 -0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.133 -2.604 0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.511 -4.186 1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.006 -2.653 2.263 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.771 -2.891 0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.700 -5.137 2.700 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.240 -6.003 2.743 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.745 -4.009 0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.955 -5.367 1.367 1.00 0.00 H new ATOM 342 N GLU A 24 -5.521 1.489 -2.229 1.00 0.00 N ATOM 343 CA GLU A 24 -6.053 2.596 -3.015 1.00 0.00 C ATOM 344 C GLU A 24 -7.040 2.093 -4.064 1.00 0.00 C ATOM 345 O GLU A 24 -6.818 1.060 -4.696 1.00 0.00 O ATOM 346 CB GLU A 24 -4.915 3.361 -3.695 1.00 0.00 C ATOM 347 CG GLU A 24 -4.340 4.480 -2.844 1.00 0.00 C ATOM 348 CD GLU A 24 -5.192 5.735 -2.876 1.00 0.00 C ATOM 349 OE1 GLU A 24 -5.394 6.287 -3.978 1.00 0.00 O ATOM 350 OE2 GLU A 24 -5.656 6.164 -1.799 1.00 0.00 O ATOM 0 H GLU A 24 -4.620 1.136 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.580 3.269 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.118 2.661 -3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.280 3.780 -4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.245 4.136 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.336 4.718 -3.194 1.00 0.00 H new ATOM 357 N MET A 25 -8.132 2.830 -4.243 1.00 0.00 N ATOM 358 CA MET A 25 -9.153 2.459 -5.216 1.00 0.00 C ATOM 359 C MET A 25 -8.599 2.517 -6.635 1.00 0.00 C ATOM 360 O MET A 25 -8.900 1.659 -7.465 1.00 0.00 O ATOM 361 CB MET A 25 -10.366 3.383 -5.091 1.00 0.00 C ATOM 362 CG MET A 25 -11.187 3.142 -3.835 1.00 0.00 C ATOM 363 SD MET A 25 -10.525 4.003 -2.396 1.00 0.00 S ATOM 364 CE MET A 25 -10.200 2.626 -1.298 1.00 0.00 C ATOM 0 H MET A 25 -8.332 3.687 -3.727 1.00 0.00 H new ATOM 0 HA MET A 25 -9.462 1.435 -5.008 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.026 4.419 -5.100 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.005 3.250 -5.964 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.213 3.468 -4.008 1.00 0.00 H new ATOM 0 HG3 MET A 25 -11.223 2.072 -3.629 1.00 0.00 H new ATOM 0 HE1 MET A 25 -9.673 2.983 -0.413 1.00 0.00 H new ATOM 0 HE2 MET A 25 -11.143 2.169 -0.999 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.586 1.887 -1.813 1.00 0.00 H new ATOM 374 N MET A 26 -7.787 3.533 -6.908 1.00 0.00 N ATOM 375 CA MET A 26 -7.190 3.702 -8.228 1.00 0.00 C ATOM 376 C MET A 26 -5.754 3.187 -8.245 1.00 0.00 C ATOM 377 O MET A 26 -5.129 3.025 -7.197 1.00 0.00 O ATOM 378 CB MET A 26 -7.221 5.174 -8.641 1.00 0.00 C ATOM 379 CG MET A 26 -6.264 6.049 -7.848 1.00 0.00 C ATOM 380 SD MET A 26 -6.403 7.795 -8.274 1.00 0.00 S ATOM 381 CE MET A 26 -5.605 7.817 -9.877 1.00 0.00 C ATOM 0 H MET A 26 -7.527 4.252 -6.233 1.00 0.00 H new ATOM 0 HA MET A 26 -7.775 3.120 -8.941 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.977 5.251 -9.701 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.235 5.556 -8.519 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.460 5.922 -6.783 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.241 5.716 -8.026 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.468 8.849 -10.201 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.634 7.327 -9.807 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.227 7.289 -10.600 1.00 0.00 H new ATOM 391 N LYS A 27 -5.236 2.931 -9.441 1.00 0.00 N ATOM 392 CA LYS A 27 -3.874 2.435 -9.596 1.00 0.00 C ATOM 393 C LYS A 27 -2.887 3.590 -9.729 1.00 0.00 C ATOM 394 O LYS A 27 -3.005 4.421 -10.631 1.00 0.00 O ATOM 395 CB LYS A 27 -3.777 1.524 -10.821 1.00 0.00 C ATOM 396 CG LYS A 27 -2.365 1.046 -11.114 1.00 0.00 C ATOM 397 CD LYS A 27 -2.303 0.246 -12.404 1.00 0.00 C ATOM 398 CE LYS A 27 -2.931 -1.129 -12.238 1.00 0.00 C ATOM 399 NZ LYS A 27 -2.125 -2.002 -11.340 1.00 0.00 N ATOM 0 H LYS A 27 -5.740 3.059 -10.319 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.619 1.862 -8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.421 0.657 -10.671 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.159 2.058 -11.691 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.697 1.904 -11.185 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.009 0.432 -10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.819 0.790 -13.196 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.264 0.137 -12.716 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.937 -1.022 -11.833 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.029 -1.604 -13.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.409 -2.994 -11.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.116 -1.897 -11.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.286 -1.726 -10.351 1.00 0.00 H new ATOM 413 N LEU A 28 -1.913 3.637 -8.826 1.00 0.00 N ATOM 414 CA LEU A 28 -0.903 4.690 -8.844 1.00 0.00 C ATOM 415 C LEU A 28 0.497 4.100 -8.978 1.00 0.00 C ATOM 416 O LEU A 28 1.026 3.505 -8.038 1.00 0.00 O ATOM 417 CB LEU A 28 -0.994 5.532 -7.570 1.00 0.00 C ATOM 418 CG LEU A 28 -2.294 6.313 -7.373 1.00 0.00 C ATOM 419 CD1 LEU A 28 -2.602 6.470 -5.892 1.00 0.00 C ATOM 420 CD2 LEU A 28 -2.206 7.673 -8.049 1.00 0.00 C ATOM 0 H LEU A 28 -1.801 2.959 -8.073 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.093 5.327 -9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.856 4.873 -6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.165 6.239 -7.566 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.107 5.752 -7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.530 7.028 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.708 5.486 -5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.789 7.009 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.140 8.215 -7.899 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.383 8.242 -7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.033 7.538 -9.117 1.00 0.00 H new ATOM 432 N THR A 29 1.095 4.269 -10.154 1.00 0.00 N ATOM 433 CA THR A 29 2.434 3.754 -10.412 1.00 0.00 C ATOM 434 C THR A 29 3.446 4.888 -10.522 1.00 0.00 C ATOM 435 O THR A 29 3.178 5.916 -11.145 1.00 0.00 O ATOM 436 CB THR A 29 2.474 2.917 -11.704 1.00 0.00 C ATOM 437 OG1 THR A 29 1.488 1.880 -11.647 1.00 0.00 O ATOM 438 CG2 THR A 29 3.852 2.304 -11.908 1.00 0.00 C ATOM 0 H THR A 29 0.673 4.759 -10.943 1.00 0.00 H new ATOM 0 HA THR A 29 2.697 3.117 -9.568 1.00 0.00 H new ATOM 0 HB THR A 29 2.258 3.576 -12.545 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.519 1.354 -12.473 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.857 1.717 -12.827 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.596 3.097 -11.980 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.091 1.658 -11.063 1.00 0.00 H new ATOM 446 N CYS A 30 4.612 4.695 -9.915 1.00 0.00 N ATOM 447 CA CYS A 30 5.667 5.702 -9.945 1.00 0.00 C ATOM 448 C CYS A 30 6.091 6.003 -11.380 1.00 0.00 C ATOM 449 O CYS A 30 5.667 5.326 -12.317 1.00 0.00 O ATOM 450 CB CYS A 30 6.874 5.230 -9.133 1.00 0.00 C ATOM 451 SG CYS A 30 7.942 6.579 -8.536 1.00 0.00 S ATOM 0 H CYS A 30 4.851 3.850 -9.396 1.00 0.00 H new ATOM 0 HA CYS A 30 5.275 6.617 -9.501 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.520 4.655 -8.277 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.469 4.554 -9.747 1.00 0.00 H new ATOM 456 N GLU A 31 6.929 7.021 -11.542 1.00 0.00 N ATOM 457 CA GLU A 31 7.409 7.412 -12.862 1.00 0.00 C ATOM 458 C GLU A 31 8.876 7.031 -13.042 1.00 0.00 C ATOM 459 O GLU A 31 9.383 6.981 -14.163 1.00 0.00 O ATOM 460 CB GLU A 31 7.233 8.917 -13.069 1.00 0.00 C ATOM 461 CG GLU A 31 8.009 9.764 -12.074 1.00 0.00 C ATOM 462 CD GLU A 31 7.589 11.220 -12.095 1.00 0.00 C ATOM 463 OE1 GLU A 31 6.538 11.544 -11.504 1.00 0.00 O ATOM 464 OE2 GLU A 31 8.313 12.037 -12.702 1.00 0.00 O ATOM 0 H GLU A 31 7.290 7.590 -10.776 1.00 0.00 H new ATOM 0 HA GLU A 31 6.818 6.879 -13.607 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.551 9.176 -14.079 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.174 9.164 -12.995 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.865 9.363 -11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.074 9.694 -12.296 1.00 0.00 H new ATOM 471 N ARG A 32 9.553 6.764 -11.929 1.00 0.00 N ATOM 472 CA ARG A 32 10.961 6.390 -11.963 1.00 0.00 C ATOM 473 C ARG A 32 11.125 4.878 -11.842 1.00 0.00 C ATOM 474 O ARG A 32 11.782 4.245 -12.670 1.00 0.00 O ATOM 475 CB ARG A 32 11.724 7.088 -10.835 1.00 0.00 C ATOM 476 CG ARG A 32 11.995 8.559 -11.104 1.00 0.00 C ATOM 477 CD ARG A 32 12.652 9.232 -9.908 1.00 0.00 C ATOM 478 NE ARG A 32 13.973 8.678 -9.626 1.00 0.00 N ATOM 479 CZ ARG A 32 14.552 8.730 -8.432 1.00 0.00 C ATOM 480 NH1 ARG A 32 13.929 9.308 -7.414 1.00 0.00 N ATOM 481 NH2 ARG A 32 15.757 8.203 -8.254 1.00 0.00 N ATOM 0 H ARG A 32 9.149 6.800 -10.993 1.00 0.00 H new ATOM 0 HA ARG A 32 11.372 6.708 -12.921 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.154 6.995 -9.910 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.673 6.575 -10.678 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.639 8.658 -11.978 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.059 9.066 -11.339 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.740 10.302 -10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.015 9.115 -9.031 1.00 0.00 H new ATOM 0 HE ARG A 32 14.479 8.226 -10.388 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.003 9.714 -7.547 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.376 9.347 -6.498 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.239 7.758 -9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.201 8.243 -7.337 1.00 0.00 H new ATOM 495 N CYS A 33 10.525 4.304 -10.805 1.00 0.00 N ATOM 496 CA CYS A 33 10.604 2.867 -10.573 1.00 0.00 C ATOM 497 C CYS A 33 9.458 2.139 -11.270 1.00 0.00 C ATOM 498 O CYS A 33 9.526 0.933 -11.506 1.00 0.00 O ATOM 499 CB CYS A 33 10.575 2.568 -9.073 1.00 0.00 C ATOM 500 SG CYS A 33 9.164 3.313 -8.194 1.00 0.00 S ATOM 0 H CYS A 33 9.978 4.813 -10.111 1.00 0.00 H new ATOM 0 HA CYS A 33 11.545 2.509 -10.990 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.550 1.488 -8.929 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.500 2.928 -8.624 1.00 0.00 H new ATOM 505 N SER A 34 8.405 2.882 -11.598 1.00 0.00 N ATOM 506 CA SER A 34 7.242 2.308 -12.265 1.00 0.00 C ATOM 507 C SER A 34 6.594 1.233 -11.397 1.00 0.00 C ATOM 508 O SER A 34 6.223 0.166 -11.887 1.00 0.00 O ATOM 509 CB SER A 34 7.644 1.716 -13.617 1.00 0.00 C ATOM 510 OG SER A 34 8.139 2.719 -14.486 1.00 0.00 O ATOM 0 H SER A 34 8.334 3.882 -11.413 1.00 0.00 H new ATOM 0 HA SER A 34 6.516 3.105 -12.427 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.405 0.950 -13.470 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.784 1.227 -14.074 1.00 0.00 H new ATOM 0 HG SER A 34 8.391 2.315 -15.343 1.00 0.00 H new ATOM 516 N ARG A 35 6.462 1.523 -10.107 1.00 0.00 N ATOM 517 CA ARG A 35 5.861 0.581 -9.171 1.00 0.00 C ATOM 518 C ARG A 35 4.593 1.164 -8.552 1.00 0.00 C ATOM 519 O ARG A 35 4.456 2.379 -8.424 1.00 0.00 O ATOM 520 CB ARG A 35 6.858 0.218 -8.069 1.00 0.00 C ATOM 521 CG ARG A 35 7.964 -0.716 -8.532 1.00 0.00 C ATOM 522 CD ARG A 35 8.645 -1.399 -7.357 1.00 0.00 C ATOM 523 NE ARG A 35 9.832 -2.144 -7.769 1.00 0.00 N ATOM 524 CZ ARG A 35 10.784 -2.533 -6.928 1.00 0.00 C ATOM 525 NH1 ARG A 35 10.689 -2.250 -5.637 1.00 0.00 N ATOM 526 NH2 ARG A 35 11.834 -3.207 -7.380 1.00 0.00 N ATOM 0 H ARG A 35 6.763 2.402 -9.686 1.00 0.00 H new ATOM 0 HA ARG A 35 5.595 -0.321 -9.722 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.306 1.133 -7.680 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.321 -0.250 -7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.549 -1.469 -9.201 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.701 -0.153 -9.104 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.926 -0.651 -6.616 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.941 -2.077 -6.874 1.00 0.00 H new ATOM 0 HE ARG A 35 9.936 -2.378 -8.756 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.883 -1.732 -5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.422 -2.550 -4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.910 -3.426 -8.373 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.565 -3.506 -6.734 1.00 0.00 H new ATOM 540 N ASN A 36 3.669 0.287 -8.172 1.00 0.00 N ATOM 541 CA ASN A 36 2.413 0.715 -7.569 1.00 0.00 C ATOM 542 C ASN A 36 2.634 1.205 -6.141 1.00 0.00 C ATOM 543 O ASN A 36 3.489 0.688 -5.421 1.00 0.00 O ATOM 544 CB ASN A 36 1.403 -0.435 -7.574 1.00 0.00 C ATOM 545 CG ASN A 36 -0.025 0.049 -7.417 1.00 0.00 C ATOM 546 OD1 ASN A 36 -0.271 1.128 -6.877 1.00 0.00 O ATOM 547 ND2 ASN A 36 -0.976 -0.749 -7.888 1.00 0.00 N ATOM 0 H ASN A 36 3.767 -0.723 -8.271 1.00 0.00 H new ATOM 0 HA ASN A 36 2.018 1.541 -8.161 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.495 -0.991 -8.507 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.640 -1.127 -6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.956 -0.476 -7.810 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.727 -1.635 -8.328 1.00 0.00 H new ATOM 554 N PHE A 37 1.857 2.204 -5.737 1.00 0.00 N ATOM 555 CA PHE A 37 1.968 2.765 -4.395 1.00 0.00 C ATOM 556 C PHE A 37 0.697 3.519 -4.014 1.00 0.00 C ATOM 557 O PHE A 37 -0.211 3.682 -4.831 1.00 0.00 O ATOM 558 CB PHE A 37 3.175 3.701 -4.309 1.00 0.00 C ATOM 559 CG PHE A 37 4.477 3.034 -4.649 1.00 0.00 C ATOM 560 CD1 PHE A 37 5.025 2.085 -3.801 1.00 0.00 C ATOM 561 CD2 PHE A 37 5.151 3.355 -5.815 1.00 0.00 C ATOM 562 CE1 PHE A 37 6.223 1.470 -4.111 1.00 0.00 C ATOM 563 CE2 PHE A 37 6.350 2.743 -6.130 1.00 0.00 C ATOM 564 CZ PHE A 37 6.886 1.798 -5.278 1.00 0.00 C ATOM 0 H PHE A 37 1.143 2.642 -6.319 1.00 0.00 H new ATOM 0 HA PHE A 37 2.105 1.942 -3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.020 4.543 -4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.237 4.108 -3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.510 1.823 -2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.735 4.092 -6.486 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.641 0.733 -3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.867 3.004 -7.042 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.821 1.316 -5.523 1.00 0.00 H new ATOM 574 N CYS A 38 0.638 3.976 -2.768 1.00 0.00 N ATOM 575 CA CYS A 38 -0.520 4.711 -2.276 1.00 0.00 C ATOM 576 C CYS A 38 -0.253 6.214 -2.280 1.00 0.00 C ATOM 577 O CYS A 38 0.891 6.651 -2.147 1.00 0.00 O ATOM 578 CB CYS A 38 -0.881 4.250 -0.863 1.00 0.00 C ATOM 579 SG CYS A 38 0.392 4.618 0.387 1.00 0.00 S ATOM 0 H CYS A 38 1.380 3.850 -2.080 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.358 4.507 -2.943 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.816 4.725 -0.565 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -1.060 3.175 -0.878 1.00 0.00 H new ATOM 584 N ILE A 39 -1.314 6.998 -2.433 1.00 0.00 N ATOM 585 CA ILE A 39 -1.194 8.450 -2.452 1.00 0.00 C ATOM 586 C ILE A 39 -0.120 8.926 -1.480 1.00 0.00 C ATOM 587 O ILE A 39 0.603 9.883 -1.757 1.00 0.00 O ATOM 588 CB ILE A 39 -2.530 9.130 -2.097 1.00 0.00 C ATOM 589 CG1 ILE A 39 -3.486 9.081 -3.291 1.00 0.00 C ATOM 590 CG2 ILE A 39 -2.292 10.568 -1.661 1.00 0.00 C ATOM 591 CD1 ILE A 39 -4.898 9.501 -2.951 1.00 0.00 C ATOM 0 H ILE A 39 -2.267 6.652 -2.546 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.912 8.730 -3.467 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.987 8.590 -1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.103 9.728 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.503 8.067 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.245 11.036 -1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.643 10.580 -0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.817 11.120 -2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.520 9.442 -3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.300 8.839 -2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.893 10.526 -2.579 1.00 0.00 H new ATOM 603 N LYS A 40 -0.019 8.250 -0.341 1.00 0.00 N ATOM 604 CA LYS A 40 0.969 8.601 0.672 1.00 0.00 C ATOM 605 C LYS A 40 2.384 8.348 0.163 1.00 0.00 C ATOM 606 O LYS A 40 3.280 9.170 0.354 1.00 0.00 O ATOM 607 CB LYS A 40 0.725 7.797 1.952 1.00 0.00 C ATOM 608 CG LYS A 40 -0.352 8.388 2.845 1.00 0.00 C ATOM 609 CD LYS A 40 -1.732 7.873 2.471 1.00 0.00 C ATOM 610 CE LYS A 40 -1.849 6.374 2.704 1.00 0.00 C ATOM 611 NZ LYS A 40 -3.241 5.975 3.052 1.00 0.00 N ATOM 0 H LYS A 40 -0.610 7.455 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 40 0.865 9.664 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.444 6.779 1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.657 7.733 2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.140 8.140 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.335 9.475 2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.488 8.394 3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.933 8.096 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.532 5.841 1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.174 6.077 3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.238 5.454 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.833 6.825 3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.626 5.367 2.301 1.00 0.00 H new ATOM 625 N HIS A 41 2.578 7.205 -0.489 1.00 0.00 N ATOM 626 CA HIS A 41 3.885 6.845 -1.028 1.00 0.00 C ATOM 627 C HIS A 41 3.892 6.949 -2.550 1.00 0.00 C ATOM 628 O HIS A 41 4.782 6.419 -3.214 1.00 0.00 O ATOM 629 CB HIS A 41 4.264 5.427 -0.600 1.00 0.00 C ATOM 630 CG HIS A 41 4.339 5.250 0.885 1.00 0.00 C ATOM 631 ND1 HIS A 41 4.077 4.051 1.514 1.00 0.00 N ATOM 632 CD2 HIS A 41 4.650 6.127 1.867 1.00 0.00 C ATOM 633 CE1 HIS A 41 4.222 4.199 2.818 1.00 0.00 C ATOM 634 NE2 HIS A 41 4.570 5.450 3.059 1.00 0.00 N ATOM 0 H HIS A 41 1.847 6.513 -0.657 1.00 0.00 H new ATOM 0 HA HIS A 41 4.620 7.545 -0.630 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.533 4.727 -1.005 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.229 5.170 -1.038 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.912 7.167 1.737 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.080 3.428 3.561 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.750 5.848 3.981 1.00 0.00 H new ATOM 642 N ARG A 42 2.892 7.634 -3.096 1.00 0.00 N ATOM 643 CA ARG A 42 2.783 7.806 -4.540 1.00 0.00 C ATOM 644 C ARG A 42 3.949 8.627 -5.080 1.00 0.00 C ATOM 645 O ARG A 42 4.322 8.502 -6.247 1.00 0.00 O ATOM 646 CB ARG A 42 1.459 8.485 -4.895 1.00 0.00 C ATOM 647 CG ARG A 42 1.507 9.272 -6.195 1.00 0.00 C ATOM 648 CD ARG A 42 1.589 8.350 -7.401 1.00 0.00 C ATOM 649 NE ARG A 42 2.278 8.978 -8.525 1.00 0.00 N ATOM 650 CZ ARG A 42 1.761 9.967 -9.245 1.00 0.00 C ATOM 651 NH1 ARG A 42 0.555 10.439 -8.959 1.00 0.00 N ATOM 652 NH2 ARG A 42 2.450 10.487 -10.252 1.00 0.00 N ATOM 0 H ARG A 42 2.146 8.079 -2.561 1.00 0.00 H new ATOM 0 HA ARG A 42 2.813 6.819 -5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.680 7.727 -4.968 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.176 9.156 -4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.619 9.899 -6.275 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.369 9.939 -6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.110 7.434 -7.122 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.583 8.063 -7.707 1.00 0.00 H new ATOM 0 HE ARG A 42 3.208 8.638 -8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.023 10.042 -8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.160 11.199 -9.513 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.378 10.127 -10.474 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.052 11.247 -10.804 1.00 0.00 H new ATOM 666 N HIS A 43 4.521 9.468 -4.224 1.00 0.00 N ATOM 667 CA HIS A 43 5.646 10.310 -4.616 1.00 0.00 C ATOM 668 C HIS A 43 6.973 9.625 -4.302 1.00 0.00 C ATOM 669 O HIS A 43 7.123 8.944 -3.287 1.00 0.00 O ATOM 670 CB HIS A 43 5.574 11.659 -3.900 1.00 0.00 C ATOM 671 CG HIS A 43 6.081 12.802 -4.725 1.00 0.00 C ATOM 672 ND1 HIS A 43 7.375 13.271 -4.646 1.00 0.00 N ATOM 673 CD2 HIS A 43 5.459 13.570 -5.651 1.00 0.00 C ATOM 674 CE1 HIS A 43 7.527 14.279 -5.486 1.00 0.00 C ATOM 675 NE2 HIS A 43 6.380 14.480 -6.108 1.00 0.00 N ATOM 0 H HIS A 43 4.224 9.585 -3.255 1.00 0.00 H new ATOM 0 HA HIS A 43 5.587 10.474 -5.692 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.540 11.856 -3.617 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.152 11.603 -2.977 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.431 13.483 -5.970 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.435 14.843 -5.638 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.206 15.196 -6.814 1.00 0.00 H new ATOM 683 N PRO A 44 7.959 9.807 -5.193 1.00 0.00 N ATOM 684 CA PRO A 44 9.290 9.215 -5.032 1.00 0.00 C ATOM 685 C PRO A 44 10.073 9.850 -3.888 1.00 0.00 C ATOM 686 O PRO A 44 11.254 9.557 -3.692 1.00 0.00 O ATOM 687 CB PRO A 44 9.971 9.504 -6.372 1.00 0.00 C ATOM 688 CG PRO A 44 9.274 10.711 -6.898 1.00 0.00 C ATOM 689 CD PRO A 44 7.851 10.606 -6.425 1.00 0.00 C ATOM 0 HA PRO A 44 9.237 8.155 -4.785 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.038 9.688 -6.243 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.873 8.661 -7.056 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.742 11.624 -6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.322 10.746 -7.986 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.419 11.588 -6.231 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.216 10.119 -7.165 1.00 0.00 H new ATOM 697 N LEU A 45 9.410 10.719 -3.134 1.00 0.00 N ATOM 698 CA LEU A 45 10.044 11.396 -2.008 1.00 0.00 C ATOM 699 C LEU A 45 9.625 10.762 -0.686 1.00 0.00 C ATOM 700 O LEU A 45 10.341 10.852 0.312 1.00 0.00 O ATOM 701 CB LEU A 45 9.682 12.882 -2.011 1.00 0.00 C ATOM 702 CG LEU A 45 10.463 13.761 -2.989 1.00 0.00 C ATOM 703 CD1 LEU A 45 9.991 15.204 -2.904 1.00 0.00 C ATOM 704 CD2 LEU A 45 11.957 13.670 -2.712 1.00 0.00 C ATOM 0 H LEU A 45 8.433 10.972 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 45 11.124 11.291 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.620 12.976 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.829 13.273 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 45 10.278 13.399 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.558 15.814 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.931 15.255 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.145 15.578 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.497 14.302 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.160 14.006 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.286 12.637 -2.825 1.00 0.00 H new ATOM 716 N ASP A 46 8.463 10.119 -0.686 1.00 0.00 N ATOM 717 CA ASP A 46 7.949 9.466 0.513 1.00 0.00 C ATOM 718 C ASP A 46 8.107 7.952 0.417 1.00 0.00 C ATOM 719 O ASP A 46 7.364 7.199 1.047 1.00 0.00 O ATOM 720 CB ASP A 46 6.478 9.826 0.725 1.00 0.00 C ATOM 721 CG ASP A 46 6.302 11.185 1.374 1.00 0.00 C ATOM 722 OD1 ASP A 46 6.901 12.161 0.877 1.00 0.00 O ATOM 723 OD2 ASP A 46 5.563 11.271 2.377 1.00 0.00 O ATOM 0 H ASP A 46 7.858 10.036 -1.503 1.00 0.00 H new ATOM 0 HA ASP A 46 8.528 9.820 1.366 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.962 9.816 -0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.007 9.065 1.348 1.00 0.00 H new ATOM 728 N HIS A 47 9.079 7.512 -0.376 1.00 0.00 N ATOM 729 CA HIS A 47 9.334 6.087 -0.555 1.00 0.00 C ATOM 730 C HIS A 47 10.676 5.858 -1.244 1.00 0.00 C ATOM 731 O HIS A 47 10.992 6.509 -2.240 1.00 0.00 O ATOM 732 CB HIS A 47 8.212 5.445 -1.371 1.00 0.00 C ATOM 733 CG HIS A 47 8.411 5.554 -2.852 1.00 0.00 C ATOM 734 ND1 HIS A 47 7.521 6.199 -3.685 1.00 0.00 N ATOM 735 CD2 HIS A 47 9.406 5.096 -3.647 1.00 0.00 C ATOM 736 CE1 HIS A 47 7.960 6.131 -4.930 1.00 0.00 C ATOM 737 NE2 HIS A 47 9.102 5.468 -4.934 1.00 0.00 N ATOM 0 H HIS A 47 9.703 8.122 -0.905 1.00 0.00 H new ATOM 0 HA HIS A 47 9.367 5.622 0.430 1.00 0.00 H new ATOM 0 HB2 HIS A 47 8.133 4.392 -1.100 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.265 5.915 -1.104 1.00 0.00 H new ATOM 0 HD1 HIS A 47 6.659 6.657 -3.387 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.277 4.542 -3.329 1.00 0.00 H new ATOM 0 HE1 HIS A 47 7.468 6.547 -5.797 1.00 0.00 H new ATOM 745 N ASP A 48 11.460 4.930 -0.707 1.00 0.00 N ATOM 746 CA ASP A 48 12.768 4.615 -1.271 1.00 0.00 C ATOM 747 C ASP A 48 12.651 4.256 -2.749 1.00 0.00 C ATOM 748 O ASP A 48 12.438 3.096 -3.102 1.00 0.00 O ATOM 749 CB ASP A 48 13.413 3.460 -0.503 1.00 0.00 C ATOM 750 CG ASP A 48 14.223 3.937 0.687 1.00 0.00 C ATOM 751 OD1 ASP A 48 15.182 4.709 0.480 1.00 0.00 O ATOM 752 OD2 ASP A 48 13.898 3.537 1.825 1.00 0.00 O ATOM 0 H ASP A 48 11.213 4.383 0.118 1.00 0.00 H new ATOM 0 HA ASP A 48 13.398 5.500 -1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.636 2.777 -0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.059 2.896 -1.176 1.00 0.00 H new ATOM 757 N CYS A 49 12.789 5.260 -3.608 1.00 0.00 N ATOM 758 CA CYS A 49 12.698 5.052 -5.048 1.00 0.00 C ATOM 759 C CYS A 49 14.015 4.523 -5.607 1.00 0.00 C ATOM 760 O CYS A 49 15.042 5.199 -5.550 1.00 0.00 O ATOM 761 CB CYS A 49 12.322 6.359 -5.750 1.00 0.00 C ATOM 762 SG CYS A 49 11.757 6.144 -7.469 1.00 0.00 S ATOM 0 H CYS A 49 12.964 6.226 -3.332 1.00 0.00 H new ATOM 0 HA CYS A 49 11.921 4.310 -5.234 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.535 6.852 -5.179 1.00 0.00 H new ATOM 0 HB3 CYS A 49 13.186 7.024 -5.743 1.00 0.00 H new ATOM 767 N SER A 50 13.978 3.309 -6.146 1.00 0.00 N ATOM 768 CA SER A 50 15.169 2.686 -6.712 1.00 0.00 C ATOM 769 C SER A 50 15.329 3.057 -8.183 1.00 0.00 C ATOM 770 O SER A 50 16.374 3.554 -8.600 1.00 0.00 O ATOM 771 CB SER A 50 15.095 1.165 -6.562 1.00 0.00 C ATOM 772 OG SER A 50 16.366 0.571 -6.762 1.00 0.00 O ATOM 0 H SER A 50 13.136 2.737 -6.203 1.00 0.00 H new ATOM 0 HA SER A 50 16.037 3.056 -6.166 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.724 0.912 -5.569 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.383 0.760 -7.281 1.00 0.00 H new ATOM 0 HG SER A 50 16.293 -0.401 -6.659 1.00 0.00 H new ATOM 778 N GLY A 51 14.283 2.809 -8.967 1.00 0.00 N ATOM 779 CA GLY A 51 14.327 3.122 -10.383 1.00 0.00 C ATOM 780 C GLY A 51 14.818 1.957 -11.219 1.00 0.00 C ATOM 781 O GLY A 51 15.991 1.899 -11.585 1.00 0.00 O ATOM 0 H GLY A 51 13.407 2.397 -8.646 1.00 0.00 H new ATOM 0 HA2 GLY A 51 13.331 3.412 -10.719 1.00 0.00 H new ATOM 0 HA3 GLY A 51 14.980 3.980 -10.542 1.00 0.00 H new ATOM 785 N GLU A 52 13.918 1.026 -11.521 1.00 0.00 N ATOM 786 CA GLU A 52 14.268 -0.144 -12.317 1.00 0.00 C ATOM 787 C GLU A 52 15.324 0.204 -13.362 1.00 0.00 C ATOM 788 O GLU A 52 16.277 -0.544 -13.570 1.00 0.00 O ATOM 789 CB GLU A 52 13.024 -0.712 -13.004 1.00 0.00 C ATOM 790 CG GLU A 52 13.298 -1.962 -13.823 1.00 0.00 C ATOM 791 CD GLU A 52 12.051 -2.502 -14.497 1.00 0.00 C ATOM 792 OE1 GLU A 52 11.715 -2.020 -15.599 1.00 0.00 O ATOM 793 OE2 GLU A 52 11.413 -3.409 -13.923 1.00 0.00 O ATOM 0 H GLU A 52 12.942 1.060 -11.227 1.00 0.00 H new ATOM 0 HA GLU A 52 14.680 -0.897 -11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.274 -0.941 -12.247 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.598 0.052 -13.654 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.048 -1.738 -14.581 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.719 -2.731 -13.176 1.00 0.00 H new ATOM 800 N GLY A 53 15.146 1.348 -14.017 1.00 0.00 N ATOM 801 CA GLY A 53 16.090 1.776 -15.032 1.00 0.00 C ATOM 802 C GLY A 53 17.498 1.924 -14.490 1.00 0.00 C ATOM 803 O GLY A 53 17.893 3.005 -14.053 1.00 0.00 O ATOM 0 H GLY A 53 14.365 1.985 -13.862 1.00 0.00 H new ATOM 0 HA2 GLY A 53 16.093 1.054 -15.849 1.00 0.00 H new ATOM 0 HA3 GLY A 53 15.763 2.728 -15.449 1.00 0.00 H new ATOM 807 N HIS A 54 18.257 0.833 -14.515 1.00 0.00 N ATOM 808 CA HIS A 54 19.629 0.845 -14.020 1.00 0.00 C ATOM 809 C HIS A 54 20.597 0.348 -15.090 1.00 0.00 C ATOM 810 O HIS A 54 20.255 -0.482 -15.933 1.00 0.00 O ATOM 811 CB HIS A 54 19.749 -0.020 -12.766 1.00 0.00 C ATOM 812 CG HIS A 54 19.452 -1.468 -13.006 1.00 0.00 C ATOM 813 ND1 HIS A 54 20.041 -2.200 -14.016 1.00 0.00 N ATOM 814 CD2 HIS A 54 18.623 -2.321 -12.360 1.00 0.00 C ATOM 815 CE1 HIS A 54 19.586 -3.440 -13.981 1.00 0.00 C ATOM 816 NE2 HIS A 54 18.724 -3.540 -12.985 1.00 0.00 N ATOM 0 H HIS A 54 17.945 -0.070 -14.873 1.00 0.00 H new ATOM 0 HA HIS A 54 19.889 1.873 -13.769 1.00 0.00 H new ATOM 0 HB2 HIS A 54 20.758 0.074 -12.365 1.00 0.00 H new ATOM 0 HB3 HIS A 54 19.067 0.361 -12.005 1.00 0.00 H new ATOM 0 HD1 HIS A 54 20.721 -1.840 -14.685 1.00 0.00 H new ATOM 0 HD2 HIS A 54 17.998 -2.087 -11.511 1.00 0.00 H new ATOM 0 HE1 HIS A 54 19.871 -4.236 -14.653 1.00 0.00 H new ATOM 824 N PRO A 55 21.833 0.866 -15.058 1.00 0.00 N ATOM 825 CA PRO A 55 22.875 0.490 -16.018 1.00 0.00 C ATOM 826 C PRO A 55 23.363 -0.940 -15.812 1.00 0.00 C ATOM 827 O PRO A 55 23.226 -1.504 -14.726 1.00 0.00 O ATOM 828 CB PRO A 55 24.001 1.486 -15.729 1.00 0.00 C ATOM 829 CG PRO A 55 23.796 1.888 -14.309 1.00 0.00 C ATOM 830 CD PRO A 55 22.310 1.860 -14.081 1.00 0.00 C ATOM 0 HA PRO A 55 22.513 0.522 -17.046 1.00 0.00 H new ATOM 0 HB2 PRO A 55 24.980 1.029 -15.874 1.00 0.00 H new ATOM 0 HB3 PRO A 55 23.949 2.347 -16.396 1.00 0.00 H new ATOM 0 HG2 PRO A 55 24.308 1.204 -13.632 1.00 0.00 H new ATOM 0 HG3 PRO A 55 24.201 2.883 -14.123 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.066 1.569 -13.059 1.00 0.00 H new ATOM 0 HD3 PRO A 55 21.859 2.838 -14.250 1.00 0.00 H new ATOM 838 N THR A 56 23.935 -1.522 -16.862 1.00 0.00 N ATOM 839 CA THR A 56 24.444 -2.886 -16.796 1.00 0.00 C ATOM 840 C THR A 56 25.631 -2.986 -15.845 1.00 0.00 C ATOM 841 O THR A 56 26.484 -2.099 -15.807 1.00 0.00 O ATOM 842 CB THR A 56 24.870 -3.394 -18.187 1.00 0.00 C ATOM 843 OG1 THR A 56 25.139 -4.800 -18.133 1.00 0.00 O ATOM 844 CG2 THR A 56 26.106 -2.655 -18.677 1.00 0.00 C ATOM 0 H THR A 56 24.057 -1.070 -17.768 1.00 0.00 H new ATOM 0 HA THR A 56 23.631 -3.509 -16.423 1.00 0.00 H new ATOM 0 HB THR A 56 24.054 -3.207 -18.884 1.00 0.00 H new ATOM 0 HG1 THR A 56 25.407 -5.116 -19.021 1.00 0.00 H new ATOM 0 HG21 THR A 56 26.388 -3.030 -19.661 1.00 0.00 H new ATOM 0 HG22 THR A 56 25.890 -1.589 -18.744 1.00 0.00 H new ATOM 0 HG23 THR A 56 26.927 -2.816 -17.978 1.00 0.00 H new ATOM 852 N SER A 57 25.680 -4.071 -15.079 1.00 0.00 N ATOM 853 CA SER A 57 26.762 -4.284 -14.125 1.00 0.00 C ATOM 854 C SER A 57 27.471 -5.607 -14.395 1.00 0.00 C ATOM 855 O SER A 57 26.839 -6.602 -14.751 1.00 0.00 O ATOM 856 CB SER A 57 26.220 -4.266 -12.694 1.00 0.00 C ATOM 857 OG SER A 57 25.462 -5.432 -12.421 1.00 0.00 O ATOM 0 H SER A 57 24.983 -4.816 -15.100 1.00 0.00 H new ATOM 0 HA SER A 57 27.482 -3.474 -14.243 1.00 0.00 H new ATOM 0 HB2 SER A 57 27.048 -4.194 -11.989 1.00 0.00 H new ATOM 0 HB3 SER A 57 25.599 -3.382 -12.548 1.00 0.00 H new ATOM 0 HG SER A 57 25.128 -5.397 -11.500 1.00 0.00 H new ATOM 863 N SER A 58 28.789 -5.611 -14.223 1.00 0.00 N ATOM 864 CA SER A 58 29.587 -6.810 -14.452 1.00 0.00 C ATOM 865 C SER A 58 28.923 -8.032 -13.824 1.00 0.00 C ATOM 866 O SER A 58 28.807 -9.082 -14.454 1.00 0.00 O ATOM 867 CB SER A 58 30.994 -6.629 -13.880 1.00 0.00 C ATOM 868 OG SER A 58 31.857 -6.027 -14.829 1.00 0.00 O ATOM 0 H SER A 58 29.327 -4.797 -13.926 1.00 0.00 H new ATOM 0 HA SER A 58 29.658 -6.969 -15.528 1.00 0.00 H new ATOM 0 HB2 SER A 58 30.948 -6.012 -12.983 1.00 0.00 H new ATOM 0 HB3 SER A 58 31.396 -7.597 -13.581 1.00 0.00 H new ATOM 0 HG SER A 58 32.749 -5.921 -14.438 1.00 0.00 H new ATOM 874 N GLY A 59 28.489 -7.886 -12.576 1.00 0.00 N ATOM 875 CA GLY A 59 27.842 -8.984 -11.882 1.00 0.00 C ATOM 876 C GLY A 59 27.823 -8.790 -10.379 1.00 0.00 C ATOM 877 O GLY A 59 28.516 -7.930 -9.834 1.00 0.00 O ATOM 0 H GLY A 59 28.574 -7.027 -12.033 1.00 0.00 H new ATOM 0 HA2 GLY A 59 26.819 -9.087 -12.245 1.00 0.00 H new ATOM 0 HA3 GLY A 59 28.359 -9.914 -12.119 1.00 0.00 H new ATOM 881 N PRO A 60 27.013 -9.602 -9.684 1.00 0.00 N ATOM 882 CA PRO A 60 26.887 -9.533 -8.225 1.00 0.00 C ATOM 883 C PRO A 60 28.145 -10.015 -7.510 1.00 0.00 C ATOM 884 O PRO A 60 28.759 -11.003 -7.913 1.00 0.00 O ATOM 885 CB PRO A 60 25.711 -10.467 -7.927 1.00 0.00 C ATOM 886 CG PRO A 60 25.689 -11.425 -9.068 1.00 0.00 C ATOM 887 CD PRO A 60 26.159 -10.649 -10.268 1.00 0.00 C ATOM 0 HA PRO A 60 26.737 -8.511 -7.877 1.00 0.00 H new ATOM 0 HB2 PRO A 60 25.848 -10.985 -6.978 1.00 0.00 H new ATOM 0 HB3 PRO A 60 24.774 -9.914 -7.856 1.00 0.00 H new ATOM 0 HG2 PRO A 60 26.340 -12.277 -8.875 1.00 0.00 H new ATOM 0 HG3 PRO A 60 24.686 -11.820 -9.227 1.00 0.00 H new ATOM 0 HD2 PRO A 60 26.714 -11.280 -10.962 1.00 0.00 H new ATOM 0 HD3 PRO A 60 25.324 -10.223 -10.823 1.00 0.00 H new ATOM 895 N SER A 61 28.523 -9.311 -6.448 1.00 0.00 N ATOM 896 CA SER A 61 29.710 -9.666 -5.679 1.00 0.00 C ATOM 897 C SER A 61 29.432 -10.859 -4.770 1.00 0.00 C ATOM 898 O SER A 61 29.109 -10.694 -3.593 1.00 0.00 O ATOM 899 CB SER A 61 30.178 -8.472 -4.845 1.00 0.00 C ATOM 900 OG SER A 61 31.037 -7.631 -5.595 1.00 0.00 O ATOM 0 H SER A 61 28.025 -8.492 -6.101 1.00 0.00 H new ATOM 0 HA SER A 61 30.498 -9.942 -6.380 1.00 0.00 H new ATOM 0 HB2 SER A 61 29.314 -7.902 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 61 30.698 -8.827 -3.955 1.00 0.00 H new ATOM 0 HG SER A 61 31.321 -6.875 -5.040 1.00 0.00 H new ATOM 906 N SER A 62 29.560 -12.060 -5.324 1.00 0.00 N ATOM 907 CA SER A 62 29.320 -13.282 -4.565 1.00 0.00 C ATOM 908 C SER A 62 30.595 -13.751 -3.872 1.00 0.00 C ATOM 909 O SER A 62 31.702 -13.482 -4.336 1.00 0.00 O ATOM 910 CB SER A 62 28.791 -14.383 -5.486 1.00 0.00 C ATOM 911 OG SER A 62 29.655 -14.582 -6.591 1.00 0.00 O ATOM 0 H SER A 62 29.829 -12.213 -6.296 1.00 0.00 H new ATOM 0 HA SER A 62 28.572 -13.066 -3.802 1.00 0.00 H new ATOM 0 HB2 SER A 62 28.691 -15.313 -4.926 1.00 0.00 H new ATOM 0 HB3 SER A 62 27.796 -14.117 -5.842 1.00 0.00 H new ATOM 0 HG SER A 62 29.296 -15.292 -7.163 1.00 0.00 H new ATOM 917 N GLY A 63 30.430 -14.455 -2.756 1.00 0.00 N ATOM 918 CA GLY A 63 31.576 -14.951 -2.016 1.00 0.00 C ATOM 919 C GLY A 63 31.284 -16.256 -1.303 1.00 0.00 C ATOM 920 O GLY A 63 30.125 -16.663 -1.248 1.00 0.00 O ATOM 0 H GLY A 63 29.524 -14.691 -2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 63 32.413 -15.093 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 63 31.885 -14.203 -1.286 1.00 0.00 H new TER 924 GLY A 63 HETATM 925 ZN ZN A 201 2.168 3.155 0.529 1.00 0.00 ZN HETATM 926 ZN ZN A 401 9.560 5.405 -7.259 1.00 0.00 ZN