USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 772 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 LYS NZ :NH3+ -173:sc= -0.37! (180deg=-0.816!) USER MOD Set 1.2: A 5 ASN : amide:sc= -0.0416 K(o=-0.41,f=-1.1) USER MOD Single : A 1 MET CE :methyl 147:sc= -0.685 (180deg=-2.55!) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.0811 (180deg=-0.316) USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= -0.0845 (180deg=-0.207) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.79 X(o=-0.79,f=-0.72) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.0056) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.238 K(o=-0.24,f=-1.9!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.401 X(o=-0.4,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.49) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 158:sc= -3.08! USER MOD Single : A 60 HIS : no HE2:sc= -1.84 K(o=-1.8,f=-2.5) USER MOD Single : A 62 LYS NZ :NH3+ -149:sc= 0.00357 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 161:sc= 0.426 USER MOD Single : A 84 HIS : no HE2:sc= -0.849 K(o=-0.85,f=-2.8) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.616 -1.425 11.624 1.00 0.00 N ATOM 2 CA MET A 1 -9.643 -2.371 12.136 1.00 0.00 C ATOM 3 C MET A 1 -10.687 -2.703 11.072 1.00 0.00 C ATOM 4 O MET A 1 -11.642 -3.435 11.337 1.00 0.00 O ATOM 5 CB MET A 1 -10.322 -1.744 13.355 1.00 0.00 C ATOM 6 CG MET A 1 -9.414 -1.630 14.571 1.00 0.00 C ATOM 7 SD MET A 1 -8.547 -0.050 14.659 1.00 0.00 S ATOM 8 CE MET A 1 -9.892 1.095 14.364 1.00 0.00 C ATOM 0 H1 MET A 1 -8.070 -1.040 12.421 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.975 -1.926 10.976 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.083 -0.647 11.116 1.00 0.00 H new ATOM 0 HA MET A 1 -9.151 -3.304 12.411 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.683 -0.751 13.088 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.195 -2.340 13.620 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.008 -1.763 15.475 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.683 -2.438 14.549 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.718 2.013 14.925 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.948 1.324 13.300 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.831 0.645 14.688 1.00 0.00 H new ATOM 20 N LEU A 2 -10.503 -2.165 9.871 1.00 0.00 N ATOM 21 CA LEU A 2 -11.433 -2.408 8.774 1.00 0.00 C ATOM 22 C LEU A 2 -11.009 -3.627 7.963 1.00 0.00 C ATOM 23 O LEU A 2 -9.858 -4.059 8.026 1.00 0.00 O ATOM 24 CB LEU A 2 -11.515 -1.179 7.866 1.00 0.00 C ATOM 25 CG LEU A 2 -11.744 0.149 8.591 1.00 0.00 C ATOM 26 CD1 LEU A 2 -10.989 1.273 7.901 1.00 0.00 C ATOM 27 CD2 LEU A 2 -13.230 0.467 8.659 1.00 0.00 C ATOM 0 H LEU A 2 -9.719 -1.558 9.633 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.417 -2.602 9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.591 -1.108 7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.323 -1.329 7.150 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.363 0.056 9.608 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.165 2.209 8.432 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.922 1.050 7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.338 1.368 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.376 1.415 9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.633 0.540 7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -13.747 -0.326 9.199 1.00 0.00 H new ATOM 39 N LYS A 3 -11.946 -4.179 7.198 1.00 0.00 N ATOM 40 CA LYS A 3 -11.670 -5.348 6.373 1.00 0.00 C ATOM 41 C LYS A 3 -10.572 -5.047 5.358 1.00 0.00 C ATOM 42 O LYS A 3 -10.504 -3.946 4.809 1.00 0.00 O ATOM 43 CB LYS A 3 -12.940 -5.800 5.651 1.00 0.00 C ATOM 44 CG LYS A 3 -13.140 -7.308 5.656 1.00 0.00 C ATOM 45 CD LYS A 3 -12.360 -7.981 4.538 1.00 0.00 C ATOM 46 CE LYS A 3 -12.794 -7.478 3.169 1.00 0.00 C ATOM 47 NZ LYS A 3 -11.725 -6.686 2.503 1.00 0.00 N ATOM 0 H LYS A 3 -12.904 -3.834 7.133 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.328 -6.151 7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.802 -5.326 6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.905 -5.450 4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.823 -7.714 6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.201 -7.535 5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.295 -7.794 4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.504 -9.060 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.063 -8.326 2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.688 -6.864 3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.099 -6.263 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.403 -5.932 3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.925 -7.309 2.271 1.00 0.00 H new ATOM 61 N LEU A 4 -9.713 -6.030 5.112 1.00 0.00 N ATOM 62 CA LEU A 4 -8.619 -5.872 4.164 1.00 0.00 C ATOM 63 C LEU A 4 -8.804 -6.787 2.958 1.00 0.00 C ATOM 64 O LEU A 4 -9.458 -7.825 3.049 1.00 0.00 O ATOM 65 CB LEU A 4 -7.282 -6.171 4.842 1.00 0.00 C ATOM 66 CG LEU A 4 -6.060 -5.539 4.173 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.944 -4.071 4.552 1.00 0.00 C ATOM 68 CD2 LEU A 4 -4.795 -6.292 4.556 1.00 0.00 C ATOM 0 H LEU A 4 -9.754 -6.946 5.558 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.621 -4.839 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.331 -5.826 5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.142 -7.251 4.873 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.186 -5.605 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.069 -3.638 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.839 -3.540 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.841 -3.981 5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.935 -5.829 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.664 -6.257 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.878 -7.330 4.234 1.00 0.00 H new ATOM 80 N ASN A 5 -8.221 -6.394 1.830 1.00 0.00 N ATOM 81 CA ASN A 5 -8.320 -7.178 0.605 1.00 0.00 C ATOM 82 C ASN A 5 -6.983 -7.210 -0.128 1.00 0.00 C ATOM 83 O ASN A 5 -6.021 -6.565 0.289 1.00 0.00 O ATOM 84 CB ASN A 5 -9.405 -6.603 -0.308 1.00 0.00 C ATOM 85 CG ASN A 5 -10.297 -7.679 -0.895 1.00 0.00 C ATOM 86 OD1 ASN A 5 -10.924 -8.448 -0.166 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.357 -7.740 -2.219 1.00 0.00 N ATOM 0 H ASN A 5 -7.675 -5.537 1.739 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.589 -8.199 0.876 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.015 -5.898 0.257 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.936 -6.043 -1.117 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.940 -8.444 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.820 -7.082 -2.785 1.00 0.00 H new ATOM 94 N LEU A 6 -6.928 -7.964 -1.220 1.00 0.00 N ATOM 95 CA LEU A 6 -5.707 -8.079 -2.008 1.00 0.00 C ATOM 96 C LEU A 6 -6.016 -8.053 -3.502 1.00 0.00 C ATOM 97 O LEU A 6 -6.869 -8.799 -3.984 1.00 0.00 O ATOM 98 CB LEU A 6 -4.965 -9.369 -1.653 1.00 0.00 C ATOM 99 CG LEU A 6 -4.700 -9.573 -0.161 1.00 0.00 C ATOM 100 CD1 LEU A 6 -4.604 -11.055 0.166 1.00 0.00 C ATOM 101 CD2 LEU A 6 -3.428 -8.851 0.257 1.00 0.00 C ATOM 0 H LEU A 6 -7.715 -8.505 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.072 -7.225 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.543 -10.216 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.011 -9.379 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.535 -9.151 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.415 -11.181 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.540 -11.547 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.788 -11.501 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.254 -9.007 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.584 -9.244 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.533 -7.784 0.059 1.00 0.00 H new ATOM 113 N LYS A 7 -5.316 -7.189 -4.230 1.00 0.00 N ATOM 114 CA LYS A 7 -5.515 -7.065 -5.670 1.00 0.00 C ATOM 115 C LYS A 7 -4.475 -7.879 -6.432 1.00 0.00 C ATOM 116 O LYS A 7 -3.647 -8.564 -5.832 1.00 0.00 O ATOM 117 CB LYS A 7 -5.439 -5.596 -6.091 1.00 0.00 C ATOM 118 CG LYS A 7 -6.739 -4.835 -5.882 1.00 0.00 C ATOM 119 CD LYS A 7 -7.806 -5.273 -6.872 1.00 0.00 C ATOM 120 CE LYS A 7 -9.191 -4.828 -6.431 1.00 0.00 C ATOM 121 NZ LYS A 7 -9.686 -5.620 -5.272 1.00 0.00 N ATOM 0 H LYS A 7 -4.606 -6.565 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.504 -7.454 -5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.646 -5.106 -5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.161 -5.542 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.097 -4.996 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.557 -3.766 -5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.585 -4.857 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.786 -6.358 -6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.165 -3.772 -6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.887 -4.929 -7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.703 -5.445 -5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.530 -6.632 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.172 -5.337 -4.413 1.00 0.00 H new ATOM 135 N LYS A 8 -4.524 -7.801 -7.759 1.00 0.00 N ATOM 136 CA LYS A 8 -3.585 -8.532 -8.602 1.00 0.00 C ATOM 137 C LYS A 8 -2.244 -7.807 -8.680 1.00 0.00 C ATOM 138 O LYS A 8 -1.191 -8.437 -8.771 1.00 0.00 O ATOM 139 CB LYS A 8 -4.164 -8.711 -10.007 1.00 0.00 C ATOM 140 CG LYS A 8 -4.901 -10.027 -10.198 1.00 0.00 C ATOM 141 CD LYS A 8 -3.963 -11.216 -10.057 1.00 0.00 C ATOM 142 CE LYS A 8 -4.094 -11.870 -8.691 1.00 0.00 C ATOM 143 NZ LYS A 8 -4.945 -13.091 -8.738 1.00 0.00 N ATOM 0 H LYS A 8 -5.203 -7.239 -8.272 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.421 -9.513 -8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.847 -7.888 -10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.355 -8.648 -10.735 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.703 -10.106 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.367 -10.045 -11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.182 -11.948 -10.834 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.934 -10.889 -10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.104 -12.132 -8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.522 -11.157 -7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.009 -13.507 -7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.898 -12.838 -9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.524 -13.783 -9.390 1.00 0.00 H new ATOM 157 N SER A 9 -2.292 -6.479 -8.647 1.00 0.00 N ATOM 158 CA SER A 9 -1.082 -5.669 -8.715 1.00 0.00 C ATOM 159 C SER A 9 -0.321 -5.710 -7.393 1.00 0.00 C ATOM 160 O SER A 9 0.909 -5.673 -7.372 1.00 0.00 O ATOM 161 CB SER A 9 -1.432 -4.222 -9.068 1.00 0.00 C ATOM 162 OG SER A 9 -1.572 -4.059 -10.470 1.00 0.00 O ATOM 0 H SER A 9 -3.156 -5.942 -8.574 1.00 0.00 H new ATOM 0 HA SER A 9 -0.442 -6.084 -9.494 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.359 -3.937 -8.571 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.654 -3.555 -8.697 1.00 0.00 H new ATOM 0 HG SER A 9 -1.797 -3.126 -10.670 1.00 0.00 H new ATOM 168 N PHE A 10 -1.062 -5.787 -6.292 1.00 0.00 N ATOM 169 CA PHE A 10 -0.458 -5.833 -4.965 1.00 0.00 C ATOM 170 C PHE A 10 0.433 -7.062 -4.810 1.00 0.00 C ATOM 171 O PHE A 10 1.407 -7.043 -4.057 1.00 0.00 O ATOM 172 CB PHE A 10 -1.544 -5.836 -3.888 1.00 0.00 C ATOM 173 CG PHE A 10 -1.025 -5.523 -2.514 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.695 -4.225 -2.163 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.868 -6.530 -1.573 1.00 0.00 C ATOM 176 CE1 PHE A 10 -0.216 -3.935 -0.899 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.391 -6.246 -0.308 1.00 0.00 C ATOM 178 CZ PHE A 10 -0.064 -4.947 0.029 1.00 0.00 C ATOM 0 H PHE A 10 -2.082 -5.819 -6.293 1.00 0.00 H new ATOM 0 HA PHE A 10 0.161 -4.944 -4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.310 -5.107 -4.153 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.026 -6.813 -3.872 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.813 -3.430 -2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.121 -7.547 -1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.039 -2.919 -0.637 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.274 -7.038 0.416 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.310 -4.723 1.017 1.00 0.00 H new ATOM 188 N GLN A 11 0.094 -8.128 -5.527 1.00 0.00 N ATOM 189 CA GLN A 11 0.864 -9.366 -5.467 1.00 0.00 C ATOM 190 C GLN A 11 2.212 -9.206 -6.162 1.00 0.00 C ATOM 191 O GLN A 11 3.237 -9.671 -5.662 1.00 0.00 O ATOM 192 CB GLN A 11 0.080 -10.511 -6.109 1.00 0.00 C ATOM 193 CG GLN A 11 -1.254 -10.791 -5.433 1.00 0.00 C ATOM 194 CD GLN A 11 -1.106 -11.079 -3.952 1.00 0.00 C ATOM 195 OE1 GLN A 11 -0.119 -11.677 -3.519 1.00 0.00 O ATOM 196 NE2 GLN A 11 -2.089 -10.656 -3.165 1.00 0.00 N ATOM 0 H GLN A 11 -0.708 -8.160 -6.156 1.00 0.00 H new ATOM 0 HA GLN A 11 1.043 -9.600 -4.418 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.097 -10.276 -7.159 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.688 -11.416 -6.083 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.913 -9.934 -5.569 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.732 -11.641 -5.919 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.888 -10.165 -3.566 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.045 -10.822 -2.160 1.00 0.00 H new ATOM 205 N LYS A 12 2.203 -8.547 -7.316 1.00 0.00 N ATOM 206 CA LYS A 12 3.428 -8.327 -8.078 1.00 0.00 C ATOM 207 C LYS A 12 4.251 -7.183 -7.487 1.00 0.00 C ATOM 208 O LYS A 12 5.448 -7.068 -7.741 1.00 0.00 O ATOM 209 CB LYS A 12 3.094 -8.029 -9.541 1.00 0.00 C ATOM 210 CG LYS A 12 2.130 -9.028 -10.160 1.00 0.00 C ATOM 211 CD LYS A 12 2.577 -9.447 -11.551 1.00 0.00 C ATOM 212 CE LYS A 12 2.573 -8.275 -12.517 1.00 0.00 C ATOM 213 NZ LYS A 12 1.366 -8.277 -13.388 1.00 0.00 N ATOM 0 H LYS A 12 1.363 -8.157 -7.744 1.00 0.00 H new ATOM 0 HA LYS A 12 4.025 -9.238 -8.024 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.663 -7.030 -9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.017 -8.020 -10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.056 -9.908 -9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.134 -8.588 -10.214 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.579 -9.873 -11.499 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.917 -10.230 -11.925 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.614 -7.342 -11.955 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.468 -8.313 -13.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.402 -7.461 -14.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.340 -9.156 -13.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.512 -8.215 -12.798 1.00 0.00 H new ATOM 227 N ASP A 13 3.600 -6.340 -6.696 1.00 0.00 N ATOM 228 CA ASP A 13 4.270 -5.207 -6.066 1.00 0.00 C ATOM 229 C ASP A 13 4.830 -5.591 -4.697 1.00 0.00 C ATOM 230 O ASP A 13 5.589 -4.834 -4.092 1.00 0.00 O ATOM 231 CB ASP A 13 3.298 -4.034 -5.920 1.00 0.00 C ATOM 232 CG ASP A 13 3.044 -3.326 -7.236 1.00 0.00 C ATOM 233 OD1 ASP A 13 3.983 -2.687 -7.758 1.00 0.00 O ATOM 234 OD2 ASP A 13 1.907 -3.412 -7.745 1.00 0.00 O ATOM 0 H ASP A 13 2.607 -6.419 -6.474 1.00 0.00 H new ATOM 0 HA ASP A 13 5.101 -4.909 -6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.352 -4.397 -5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.698 -3.322 -5.199 1.00 0.00 H new ATOM 239 N PHE A 14 4.449 -6.768 -4.217 1.00 0.00 N ATOM 240 CA PHE A 14 4.909 -7.255 -2.927 1.00 0.00 C ATOM 241 C PHE A 14 6.180 -8.079 -3.082 1.00 0.00 C ATOM 242 O PHE A 14 7.240 -7.694 -2.601 1.00 0.00 O ATOM 243 CB PHE A 14 3.818 -8.095 -2.262 1.00 0.00 C ATOM 244 CG PHE A 14 4.089 -8.400 -0.816 1.00 0.00 C ATOM 245 CD1 PHE A 14 5.136 -9.232 -0.450 1.00 0.00 C ATOM 246 CD2 PHE A 14 3.291 -7.857 0.179 1.00 0.00 C ATOM 247 CE1 PHE A 14 5.383 -9.514 0.879 1.00 0.00 C ATOM 248 CE2 PHE A 14 3.532 -8.135 1.509 1.00 0.00 C ATOM 249 CZ PHE A 14 4.580 -8.965 1.861 1.00 0.00 C ATOM 0 H PHE A 14 3.819 -7.404 -4.706 1.00 0.00 H new ATOM 0 HA PHE A 14 5.131 -6.395 -2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.867 -7.568 -2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.710 -9.032 -2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.766 -9.665 -1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.470 -7.208 -0.090 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.203 -10.163 1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.903 -7.705 2.274 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.771 -9.184 2.901 1.00 0.00 H new ATOM 259 N ASP A 15 6.053 -9.221 -3.747 1.00 0.00 N ATOM 260 CA ASP A 15 7.177 -10.123 -3.967 1.00 0.00 C ATOM 261 C ASP A 15 7.900 -9.832 -5.279 1.00 0.00 C ATOM 262 O ASP A 15 9.123 -9.946 -5.358 1.00 0.00 O ATOM 263 CB ASP A 15 6.695 -11.575 -3.953 1.00 0.00 C ATOM 264 CG ASP A 15 7.690 -12.507 -3.289 1.00 0.00 C ATOM 265 OD1 ASP A 15 8.738 -12.794 -3.906 1.00 0.00 O ATOM 266 OD2 ASP A 15 7.422 -12.950 -2.153 1.00 0.00 O ATOM 0 H ASP A 15 5.173 -9.547 -4.147 1.00 0.00 H new ATOM 0 HA ASP A 15 7.887 -9.961 -3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.741 -11.633 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.518 -11.906 -4.976 1.00 0.00 H new ATOM 271 N LYS A 16 7.143 -9.480 -6.320 1.00 0.00 N ATOM 272 CA LYS A 16 7.740 -9.207 -7.624 1.00 0.00 C ATOM 273 C LYS A 16 8.435 -7.852 -7.652 1.00 0.00 C ATOM 274 O LYS A 16 9.275 -7.598 -8.518 1.00 0.00 O ATOM 275 CB LYS A 16 6.684 -9.283 -8.729 1.00 0.00 C ATOM 276 CG LYS A 16 7.067 -10.210 -9.871 1.00 0.00 C ATOM 277 CD LYS A 16 7.069 -11.664 -9.433 1.00 0.00 C ATOM 278 CE LYS A 16 5.656 -12.202 -9.273 1.00 0.00 C ATOM 279 NZ LYS A 16 5.499 -13.547 -9.893 1.00 0.00 N ATOM 0 H LYS A 16 6.129 -9.379 -6.285 1.00 0.00 H new ATOM 0 HA LYS A 16 8.494 -9.973 -7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.742 -9.621 -8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.512 -8.282 -9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.368 -10.079 -10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.055 -9.940 -10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.607 -12.265 -10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.604 -11.759 -8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.408 -12.260 -8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.950 -11.508 -9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.522 -13.878 -9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.711 -13.488 -10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.155 -14.216 -9.441 1.00 0.00 H new ATOM 293 N LEU A 17 8.103 -6.985 -6.702 1.00 0.00 N ATOM 294 CA LEU A 17 8.724 -5.673 -6.635 1.00 0.00 C ATOM 295 C LEU A 17 10.094 -5.782 -5.987 1.00 0.00 C ATOM 296 O LEU A 17 11.023 -5.058 -6.344 1.00 0.00 O ATOM 297 CB LEU A 17 7.846 -4.698 -5.851 1.00 0.00 C ATOM 298 CG LEU A 17 7.840 -3.262 -6.378 1.00 0.00 C ATOM 299 CD1 LEU A 17 6.749 -2.450 -5.699 1.00 0.00 C ATOM 300 CD2 LEU A 17 9.199 -2.613 -6.169 1.00 0.00 C ATOM 0 H LEU A 17 7.412 -7.167 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 17 8.838 -5.291 -7.649 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.823 -5.073 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.180 -4.686 -4.813 1.00 0.00 H new ATOM 0 HG LEU A 17 7.633 -3.288 -7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.759 -1.431 -6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.779 -2.905 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.925 -2.431 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.177 -1.592 -6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.436 -2.599 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.960 -3.183 -6.702 1.00 0.00 H new ATOM 312 N LEU A 18 10.215 -6.699 -5.033 1.00 0.00 N ATOM 313 CA LEU A 18 11.485 -6.905 -4.340 1.00 0.00 C ATOM 314 C LEU A 18 12.538 -7.462 -5.293 1.00 0.00 C ATOM 315 O LEU A 18 13.724 -7.155 -5.171 1.00 0.00 O ATOM 316 CB LEU A 18 11.306 -7.851 -3.151 1.00 0.00 C ATOM 317 CG LEU A 18 9.926 -7.814 -2.498 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.913 -8.633 -1.223 1.00 0.00 C ATOM 319 CD2 LEU A 18 9.505 -6.378 -2.222 1.00 0.00 C ATOM 0 H LEU A 18 9.457 -7.307 -4.723 1.00 0.00 H new ATOM 0 HA LEU A 18 11.825 -5.937 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.507 -8.870 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.055 -7.608 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 18 9.208 -8.254 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.920 -8.593 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.165 -9.668 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.644 -8.228 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.519 -6.371 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.226 -5.910 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.468 -5.823 -3.160 1.00 0.00 H new ATOM 331 N LEU A 19 12.097 -8.282 -6.241 1.00 0.00 N ATOM 332 CA LEU A 19 13.003 -8.880 -7.215 1.00 0.00 C ATOM 333 C LEU A 19 13.324 -7.896 -8.336 1.00 0.00 C ATOM 334 O LEU A 19 14.445 -7.862 -8.844 1.00 0.00 O ATOM 335 CB LEU A 19 12.390 -10.157 -7.798 1.00 0.00 C ATOM 336 CG LEU A 19 12.798 -11.452 -7.094 1.00 0.00 C ATOM 337 CD1 LEU A 19 12.032 -12.634 -7.668 1.00 0.00 C ATOM 338 CD2 LEU A 19 14.300 -11.676 -7.218 1.00 0.00 C ATOM 0 H LEU A 19 11.119 -8.548 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 19 13.931 -9.133 -6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.304 -10.069 -7.763 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.670 -10.229 -8.849 1.00 0.00 H new ATOM 0 HG LEU A 19 12.550 -11.363 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.335 -13.547 -7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.962 -12.477 -7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.249 -12.726 -8.732 1.00 0.00 H new ATOM 0 HD21 LEU A 19 14.573 -12.602 -6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.572 -11.745 -8.271 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.831 -10.842 -6.760 1.00 0.00 H new ATOM 350 N ASN A 20 12.333 -7.095 -8.713 1.00 0.00 N ATOM 351 CA ASN A 20 12.512 -6.106 -9.772 1.00 0.00 C ATOM 352 C ASN A 20 13.649 -5.145 -9.439 1.00 0.00 C ATOM 353 O ASN A 20 14.232 -4.527 -10.328 1.00 0.00 O ATOM 354 CB ASN A 20 11.215 -5.324 -9.988 1.00 0.00 C ATOM 355 CG ASN A 20 11.286 -4.407 -11.195 1.00 0.00 C ATOM 356 OD1 ASN A 20 11.022 -3.208 -11.095 1.00 0.00 O ATOM 357 ND2 ASN A 20 11.644 -4.969 -12.344 1.00 0.00 N ATOM 0 H ASN A 20 11.399 -7.110 -8.303 1.00 0.00 H new ATOM 0 HA ASN A 20 12.769 -6.636 -10.689 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.389 -6.024 -10.115 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.998 -4.733 -9.098 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.709 -4.403 -13.190 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.854 -5.967 -12.380 1.00 0.00 H new ATOM 364 N GLY A 21 13.961 -5.025 -8.151 1.00 0.00 N ATOM 365 CA GLY A 21 15.026 -4.139 -7.724 1.00 0.00 C ATOM 366 C GLY A 21 14.624 -3.263 -6.551 1.00 0.00 C ATOM 367 O GLY A 21 15.018 -2.100 -6.474 1.00 0.00 O ATOM 0 H GLY A 21 13.494 -5.527 -7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 21 15.898 -4.732 -7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.324 -3.506 -8.560 1.00 0.00 H new ATOM 371 N PHE A 22 13.835 -3.823 -5.640 1.00 0.00 N ATOM 372 CA PHE A 22 13.378 -3.087 -4.469 1.00 0.00 C ATOM 373 C PHE A 22 13.796 -3.793 -3.184 1.00 0.00 C ATOM 374 O PHE A 22 14.158 -4.970 -3.202 1.00 0.00 O ATOM 375 CB PHE A 22 11.857 -2.936 -4.509 1.00 0.00 C ATOM 376 CG PHE A 22 11.308 -2.100 -3.391 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.306 -0.717 -3.477 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.791 -2.698 -2.254 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.801 0.055 -2.449 1.00 0.00 C ATOM 380 CE2 PHE A 22 10.284 -1.931 -1.221 1.00 0.00 C ATOM 381 CZ PHE A 22 10.289 -0.553 -1.318 1.00 0.00 C ATOM 0 H PHE A 22 13.499 -4.785 -5.691 1.00 0.00 H new ATOM 0 HA PHE A 22 13.840 -2.100 -4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.569 -2.489 -5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.401 -3.925 -4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.704 -0.237 -4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.784 -3.775 -2.173 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.806 1.132 -2.529 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.884 -2.409 -0.339 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.894 0.048 -0.512 1.00 0.00 H new ATOM 391 N ASP A 23 13.747 -3.069 -2.072 1.00 0.00 N ATOM 392 CA ASP A 23 14.123 -3.628 -0.779 1.00 0.00 C ATOM 393 C ASP A 23 12.938 -4.333 -0.124 1.00 0.00 C ATOM 394 O ASP A 23 11.886 -3.732 0.089 1.00 0.00 O ATOM 395 CB ASP A 23 14.648 -2.527 0.143 1.00 0.00 C ATOM 396 CG ASP A 23 15.398 -3.082 1.338 1.00 0.00 C ATOM 397 OD1 ASP A 23 14.742 -3.621 2.253 1.00 0.00 O ATOM 398 OD2 ASP A 23 16.643 -2.979 1.357 1.00 0.00 O ATOM 0 H ASP A 23 13.451 -2.094 -2.040 1.00 0.00 H new ATOM 0 HA ASP A 23 14.912 -4.361 -0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.307 -1.868 -0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.813 -1.920 0.492 1.00 0.00 H new ATOM 403 N ASP A 24 13.119 -5.612 0.193 1.00 0.00 N ATOM 404 CA ASP A 24 12.068 -6.400 0.824 1.00 0.00 C ATOM 405 C ASP A 24 11.963 -6.079 2.312 1.00 0.00 C ATOM 406 O ASP A 24 10.883 -6.146 2.897 1.00 0.00 O ATOM 407 CB ASP A 24 12.341 -7.894 0.636 1.00 0.00 C ATOM 408 CG ASP A 24 13.751 -8.281 1.038 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.704 -7.635 0.553 1.00 0.00 O ATOM 410 OD2 ASP A 24 13.901 -9.228 1.838 1.00 0.00 O ATOM 0 H ASP A 24 13.985 -6.124 0.023 1.00 0.00 H new ATOM 0 HA ASP A 24 11.122 -6.144 0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.627 -8.468 1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.178 -8.161 -0.408 1.00 0.00 H new ATOM 415 N SER A 25 13.093 -5.737 2.918 1.00 0.00 N ATOM 416 CA SER A 25 13.133 -5.411 4.339 1.00 0.00 C ATOM 417 C SER A 25 12.250 -4.209 4.658 1.00 0.00 C ATOM 418 O SER A 25 11.558 -4.188 5.676 1.00 0.00 O ATOM 419 CB SER A 25 14.572 -5.129 4.777 1.00 0.00 C ATOM 420 OG SER A 25 14.713 -5.255 6.181 1.00 0.00 O ATOM 0 H SER A 25 13.996 -5.678 2.447 1.00 0.00 H new ATOM 0 HA SER A 25 12.750 -6.271 4.889 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.250 -5.821 4.277 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.859 -4.124 4.469 1.00 0.00 H new ATOM 0 HG SER A 25 15.642 -5.071 6.434 1.00 0.00 H new ATOM 426 N VAL A 26 12.281 -3.207 3.785 1.00 0.00 N ATOM 427 CA VAL A 26 11.485 -2.000 3.981 1.00 0.00 C ATOM 428 C VAL A 26 9.997 -2.325 4.073 1.00 0.00 C ATOM 429 O VAL A 26 9.266 -1.718 4.856 1.00 0.00 O ATOM 430 CB VAL A 26 11.710 -0.986 2.841 1.00 0.00 C ATOM 431 CG1 VAL A 26 10.943 0.303 3.106 1.00 0.00 C ATOM 432 CG2 VAL A 26 13.195 -0.701 2.667 1.00 0.00 C ATOM 0 H VAL A 26 12.847 -3.207 2.937 1.00 0.00 H new ATOM 0 HA VAL A 26 11.813 -1.557 4.921 1.00 0.00 H new ATOM 0 HB VAL A 26 11.332 -1.421 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.116 1.004 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.877 0.084 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.286 0.744 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.336 0.016 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.597 -0.288 3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.717 -1.627 2.425 1.00 0.00 H new ATOM 442 N LEU A 27 9.552 -3.285 3.269 1.00 0.00 N ATOM 443 CA LEU A 27 8.149 -3.684 3.263 1.00 0.00 C ATOM 444 C LEU A 27 7.724 -4.209 4.633 1.00 0.00 C ATOM 445 O LEU A 27 6.582 -4.027 5.050 1.00 0.00 O ATOM 446 CB LEU A 27 7.900 -4.744 2.180 1.00 0.00 C ATOM 447 CG LEU A 27 8.086 -6.200 2.619 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.758 -6.799 3.056 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.696 -7.022 1.495 1.00 0.00 C ATOM 0 H LEU A 27 10.141 -3.800 2.615 1.00 0.00 H new ATOM 0 HA LEU A 27 7.546 -2.805 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.883 -4.624 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.571 -4.547 1.344 1.00 0.00 H new ATOM 0 HG LEU A 27 8.769 -6.218 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.909 -7.833 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.358 -6.226 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.054 -6.768 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.821 -8.053 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.038 -6.996 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.667 -6.607 1.227 1.00 0.00 H new ATOM 461 N ASN A 28 8.651 -4.861 5.327 1.00 0.00 N ATOM 462 CA ASN A 28 8.371 -5.413 6.649 1.00 0.00 C ATOM 463 C ASN A 28 7.917 -4.323 7.615 1.00 0.00 C ATOM 464 O ASN A 28 7.158 -4.585 8.548 1.00 0.00 O ATOM 465 CB ASN A 28 9.610 -6.119 7.202 1.00 0.00 C ATOM 466 CG ASN A 28 9.276 -7.446 7.853 1.00 0.00 C ATOM 467 OD1 ASN A 28 8.281 -8.085 7.513 1.00 0.00 O ATOM 468 ND2 ASN A 28 10.108 -7.867 8.799 1.00 0.00 N ATOM 0 H ASN A 28 9.603 -5.020 4.997 1.00 0.00 H new ATOM 0 HA ASN A 28 7.563 -6.137 6.547 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.323 -6.283 6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.098 -5.472 7.931 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.933 -8.752 9.275 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.922 -7.305 9.050 1.00 0.00 H new ATOM 475 N GLU A 29 8.385 -3.100 7.386 1.00 0.00 N ATOM 476 CA GLU A 29 8.025 -1.973 8.237 1.00 0.00 C ATOM 477 C GLU A 29 6.576 -1.556 8.009 1.00 0.00 C ATOM 478 O GLU A 29 5.834 -1.304 8.959 1.00 0.00 O ATOM 479 CB GLU A 29 8.957 -0.789 7.974 1.00 0.00 C ATOM 480 CG GLU A 29 10.327 -0.937 8.615 1.00 0.00 C ATOM 481 CD GLU A 29 11.008 0.396 8.853 1.00 0.00 C ATOM 482 OE1 GLU A 29 11.510 0.988 7.874 1.00 0.00 O ATOM 483 OE2 GLU A 29 11.040 0.847 10.016 1.00 0.00 O ATOM 0 H GLU A 29 9.014 -2.865 6.618 1.00 0.00 H new ATOM 0 HA GLU A 29 8.133 -2.287 9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.080 -0.667 6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.488 0.121 8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.225 -1.463 9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.958 -1.554 7.975 1.00 0.00 H new ATOM 490 N VAL A 30 6.178 -1.483 6.742 1.00 0.00 N ATOM 491 CA VAL A 30 4.818 -1.095 6.391 1.00 0.00 C ATOM 492 C VAL A 30 3.854 -2.269 6.542 1.00 0.00 C ATOM 493 O VAL A 30 2.773 -2.125 7.114 1.00 0.00 O ATOM 494 CB VAL A 30 4.743 -0.548 4.950 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.170 -1.608 3.946 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.341 -0.046 4.639 1.00 0.00 C ATOM 0 H VAL A 30 6.778 -1.687 5.943 1.00 0.00 H new ATOM 0 HA VAL A 30 4.524 -0.304 7.081 1.00 0.00 H new ATOM 0 HB VAL A 30 5.433 0.292 4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.109 -1.199 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.196 -1.913 4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.511 -2.473 4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.309 0.336 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.630 -0.866 4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.078 0.752 5.333 1.00 0.00 H new ATOM 506 N ILE A 31 4.252 -3.429 6.029 1.00 0.00 N ATOM 507 CA ILE A 31 3.424 -4.627 6.115 1.00 0.00 C ATOM 508 C ILE A 31 3.120 -4.969 7.574 1.00 0.00 C ATOM 509 O ILE A 31 2.076 -5.541 7.885 1.00 0.00 O ATOM 510 CB ILE A 31 4.113 -5.833 5.420 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.686 -5.914 3.954 1.00 0.00 C ATOM 512 CG2 ILE A 31 3.799 -7.144 6.133 1.00 0.00 C ATOM 513 CD1 ILE A 31 4.068 -4.696 3.141 1.00 0.00 C ATOM 0 H ILE A 31 5.142 -3.565 5.550 1.00 0.00 H new ATOM 0 HA ILE A 31 2.487 -4.421 5.598 1.00 0.00 H new ATOM 0 HB ILE A 31 5.190 -5.675 5.471 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.136 -6.798 3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.605 -6.047 3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.298 -7.966 5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.153 -7.092 7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.722 -7.312 6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.733 -4.826 2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.596 -3.811 3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.151 -4.573 3.157 1.00 0.00 H new ATOM 525 N LEU A 32 4.044 -4.617 8.461 1.00 0.00 N ATOM 526 CA LEU A 32 3.884 -4.887 9.886 1.00 0.00 C ATOM 527 C LEU A 32 2.741 -4.063 10.479 1.00 0.00 C ATOM 528 O LEU A 32 2.159 -4.438 11.496 1.00 0.00 O ATOM 529 CB LEU A 32 5.196 -4.589 10.623 1.00 0.00 C ATOM 530 CG LEU A 32 5.056 -4.194 12.096 1.00 0.00 C ATOM 531 CD1 LEU A 32 6.302 -4.586 12.875 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.793 -2.700 12.223 1.00 0.00 C ATOM 0 H LEU A 32 4.914 -4.143 8.218 1.00 0.00 H new ATOM 0 HA LEU A 32 3.635 -5.941 10.010 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.834 -5.471 10.561 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.712 -3.785 10.098 1.00 0.00 H new ATOM 0 HG LEU A 32 4.206 -4.730 12.518 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.184 -4.297 13.919 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.447 -5.664 12.811 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.169 -4.078 12.454 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.696 -2.436 13.276 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.623 -2.146 11.785 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.871 -2.447 11.699 1.00 0.00 H new ATOM 544 N THR A 33 2.429 -2.936 9.846 1.00 0.00 N ATOM 545 CA THR A 33 1.362 -2.064 10.328 1.00 0.00 C ATOM 546 C THR A 33 0.014 -2.433 9.712 1.00 0.00 C ATOM 547 O THR A 33 -1.038 -2.136 10.279 1.00 0.00 O ATOM 548 CB THR A 33 1.692 -0.604 10.010 1.00 0.00 C ATOM 549 OG1 THR A 33 2.957 -0.249 10.539 1.00 0.00 O ATOM 550 CG2 THR A 33 0.675 0.373 10.559 1.00 0.00 C ATOM 0 H THR A 33 2.897 -2.606 9.002 1.00 0.00 H new ATOM 0 HA THR A 33 1.289 -2.196 11.407 1.00 0.00 H new ATOM 0 HB THR A 33 1.686 -0.537 8.922 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.151 0.687 10.324 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.969 1.390 10.298 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.304 0.158 10.131 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.626 0.277 11.644 1.00 0.00 H new ATOM 558 N LEU A 34 0.047 -3.073 8.548 1.00 0.00 N ATOM 559 CA LEU A 34 -1.179 -3.468 7.860 1.00 0.00 C ATOM 560 C LEU A 34 -1.633 -4.866 8.278 1.00 0.00 C ATOM 561 O LEU A 34 -2.829 -5.120 8.421 1.00 0.00 O ATOM 562 CB LEU A 34 -0.972 -3.419 6.345 1.00 0.00 C ATOM 563 CG LEU A 34 -0.250 -2.173 5.831 1.00 0.00 C ATOM 564 CD1 LEU A 34 0.417 -2.456 4.495 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.221 -1.008 5.708 1.00 0.00 C ATOM 0 H LEU A 34 0.906 -3.329 8.062 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.960 -2.762 8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.405 -4.300 6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.945 -3.483 5.858 1.00 0.00 H new ATOM 0 HG LEU A 34 0.524 -1.902 6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.926 -1.558 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.142 -3.261 4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.338 -2.752 3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.691 -0.129 5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.016 -1.269 5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.653 -0.789 6.685 1.00 0.00 H new ATOM 577 N ARG A 35 -0.675 -5.771 8.459 1.00 0.00 N ATOM 578 CA ARG A 35 -0.988 -7.144 8.844 1.00 0.00 C ATOM 579 C ARG A 35 -1.012 -7.322 10.362 1.00 0.00 C ATOM 580 O ARG A 35 -0.892 -8.441 10.860 1.00 0.00 O ATOM 581 CB ARG A 35 0.028 -8.106 8.230 1.00 0.00 C ATOM 582 CG ARG A 35 0.291 -7.852 6.755 1.00 0.00 C ATOM 583 CD ARG A 35 1.123 -8.966 6.139 1.00 0.00 C ATOM 584 NE ARG A 35 0.394 -10.232 6.084 1.00 0.00 N ATOM 585 CZ ARG A 35 -0.355 -10.617 5.052 1.00 0.00 C ATOM 586 NH1 ARG A 35 -0.494 -9.832 3.989 1.00 0.00 N ATOM 587 NH2 ARG A 35 -0.971 -11.790 5.085 1.00 0.00 N ATOM 0 H ARG A 35 0.320 -5.580 8.346 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.985 -7.369 8.466 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.967 -8.027 8.777 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.329 -9.128 8.356 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.657 -7.768 6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.809 -6.900 6.635 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.425 -8.678 5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.036 -9.099 6.719 1.00 0.00 H new ATOM 0 HE ARG A 35 0.463 -10.859 6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.025 -8.927 3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.069 -10.135 3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.871 -12.396 5.899 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.545 -12.087 4.296 1.00 0.00 H new ATOM 601 N LYS A 36 -1.169 -6.225 11.098 1.00 0.00 N ATOM 602 CA LYS A 36 -1.208 -6.294 12.556 1.00 0.00 C ATOM 603 C LYS A 36 -2.605 -5.974 13.082 1.00 0.00 C ATOM 604 O LYS A 36 -3.200 -6.776 13.801 1.00 0.00 O ATOM 605 CB LYS A 36 -0.186 -5.329 13.161 1.00 0.00 C ATOM 606 CG LYS A 36 1.033 -6.021 13.747 1.00 0.00 C ATOM 607 CD LYS A 36 1.551 -5.292 14.977 1.00 0.00 C ATOM 608 CE LYS A 36 3.052 -5.475 15.144 1.00 0.00 C ATOM 609 NZ LYS A 36 3.376 -6.523 16.150 1.00 0.00 N ATOM 0 H LYS A 36 -1.270 -5.286 10.713 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.955 -7.312 12.853 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.139 -4.629 12.392 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.671 -4.743 13.942 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.778 -7.047 14.012 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.820 -6.072 12.995 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.320 -4.230 14.896 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.037 -5.663 15.864 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.494 -5.744 14.185 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.501 -4.529 15.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.408 -6.616 16.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.977 -6.254 17.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.970 -7.431 15.848 1.00 0.00 H new ATOM 623 N LYS A 37 -3.121 -4.802 12.704 1.00 0.00 N ATOM 624 CA LYS A 37 -4.456 -4.353 13.120 1.00 0.00 C ATOM 625 C LYS A 37 -4.562 -2.829 13.078 1.00 0.00 C ATOM 626 O LYS A 37 -5.661 -2.277 13.027 1.00 0.00 O ATOM 627 CB LYS A 37 -4.797 -4.836 14.537 1.00 0.00 C ATOM 628 CG LYS A 37 -3.665 -4.647 15.534 1.00 0.00 C ATOM 629 CD LYS A 37 -4.183 -4.164 16.880 1.00 0.00 C ATOM 630 CE LYS A 37 -4.799 -2.777 16.779 1.00 0.00 C ATOM 631 NZ LYS A 37 -6.160 -2.726 17.380 1.00 0.00 N ATOM 0 H LYS A 37 -2.630 -4.139 12.104 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.166 -4.786 12.416 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.677 -4.299 14.893 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.062 -5.892 14.498 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.133 -5.589 15.665 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.948 -3.927 15.140 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.926 -4.866 17.257 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.365 -4.148 17.600 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.154 -2.056 17.281 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.854 -2.480 15.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.543 -1.763 17.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.784 -3.395 16.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.105 -2.984 18.386 1.00 0.00 H new ATOM 645 N GLU A 38 -3.416 -2.152 13.107 1.00 0.00 N ATOM 646 CA GLU A 38 -3.389 -0.695 13.080 1.00 0.00 C ATOM 647 C GLU A 38 -3.618 -0.165 11.664 1.00 0.00 C ATOM 648 O GLU A 38 -2.782 -0.357 10.781 1.00 0.00 O ATOM 649 CB GLU A 38 -2.051 -0.182 13.616 1.00 0.00 C ATOM 650 CG GLU A 38 -2.175 1.071 14.465 1.00 0.00 C ATOM 651 CD GLU A 38 -2.798 0.798 15.821 1.00 0.00 C ATOM 652 OE1 GLU A 38 -2.389 -0.184 16.476 1.00 0.00 O ATOM 653 OE2 GLU A 38 -3.695 1.565 16.227 1.00 0.00 O ATOM 0 H GLU A 38 -2.496 -2.590 13.149 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.196 -0.332 13.717 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.582 -0.967 14.209 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.387 0.023 12.776 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.187 1.510 14.605 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.778 1.807 13.934 1.00 0.00 H new ATOM 660 N PRO A 39 -4.756 0.513 11.425 1.00 0.00 N ATOM 661 CA PRO A 39 -5.081 1.068 10.109 1.00 0.00 C ATOM 662 C PRO A 39 -4.262 2.316 9.794 1.00 0.00 C ATOM 663 O PRO A 39 -3.434 2.746 10.596 1.00 0.00 O ATOM 664 CB PRO A 39 -6.563 1.418 10.232 1.00 0.00 C ATOM 665 CG PRO A 39 -6.760 1.704 11.681 1.00 0.00 C ATOM 666 CD PRO A 39 -5.815 0.793 12.417 1.00 0.00 C ATOM 0 HA PRO A 39 -4.860 0.370 9.302 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.819 2.282 9.619 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.194 0.594 9.901 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.547 2.749 11.905 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.792 1.518 11.978 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.411 1.271 13.310 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.312 -0.121 12.742 1.00 0.00 H new ATOM 674 N LEU A 40 -4.501 2.891 8.620 1.00 0.00 N ATOM 675 CA LEU A 40 -3.785 4.091 8.200 1.00 0.00 C ATOM 676 C LEU A 40 -4.496 5.347 8.693 1.00 0.00 C ATOM 677 O LEU A 40 -5.628 5.628 8.300 1.00 0.00 O ATOM 678 CB LEU A 40 -3.659 4.126 6.675 1.00 0.00 C ATOM 679 CG LEU A 40 -3.027 2.882 6.050 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.386 2.785 4.577 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.517 2.903 6.234 1.00 0.00 C ATOM 0 H LEU A 40 -5.183 2.547 7.944 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.788 4.064 8.639 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.652 4.265 6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.066 4.996 6.394 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.422 2.002 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.928 1.894 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.469 2.723 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.019 3.668 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.083 2.010 5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.104 3.790 5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.280 2.924 7.298 1.00 0.00 H new ATOM 693 N ASP A 41 -3.824 6.099 9.559 1.00 0.00 N ATOM 694 CA ASP A 41 -4.391 7.326 10.108 1.00 0.00 C ATOM 695 C ASP A 41 -4.691 8.333 9.001 1.00 0.00 C ATOM 696 O ASP A 41 -4.134 8.249 7.906 1.00 0.00 O ATOM 697 CB ASP A 41 -3.432 7.943 11.127 1.00 0.00 C ATOM 698 CG ASP A 41 -3.535 7.285 12.489 1.00 0.00 C ATOM 699 OD1 ASP A 41 -2.837 6.274 12.714 1.00 0.00 O ATOM 700 OD2 ASP A 41 -4.312 7.780 13.332 1.00 0.00 O ATOM 0 H ASP A 41 -2.886 5.880 9.896 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.327 7.072 10.605 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.410 7.854 10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.645 9.008 11.224 1.00 0.00 H new ATOM 705 N PRO A 42 -5.580 9.304 9.274 1.00 0.00 N ATOM 706 CA PRO A 42 -5.953 10.332 8.296 1.00 0.00 C ATOM 707 C PRO A 42 -4.834 11.340 8.050 1.00 0.00 C ATOM 708 O PRO A 42 -4.920 12.163 7.138 1.00 0.00 O ATOM 709 CB PRO A 42 -7.156 11.017 8.944 1.00 0.00 C ATOM 710 CG PRO A 42 -6.963 10.815 10.406 1.00 0.00 C ATOM 711 CD PRO A 42 -6.291 9.477 10.555 1.00 0.00 C ATOM 0 HA PRO A 42 -6.164 9.902 7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.192 12.077 8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.093 10.577 8.604 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.350 11.609 10.832 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.918 10.833 10.932 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.603 9.465 11.401 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.016 8.680 10.723 1.00 0.00 H new ATOM 719 N GLN A 43 -3.785 11.275 8.866 1.00 0.00 N ATOM 720 CA GLN A 43 -2.654 12.186 8.729 1.00 0.00 C ATOM 721 C GLN A 43 -1.612 11.635 7.755 1.00 0.00 C ATOM 722 O GLN A 43 -0.516 12.185 7.634 1.00 0.00 O ATOM 723 CB GLN A 43 -2.010 12.438 10.093 1.00 0.00 C ATOM 724 CG GLN A 43 -1.408 11.192 10.723 1.00 0.00 C ATOM 725 CD GLN A 43 0.099 11.276 10.863 1.00 0.00 C ATOM 726 OE1 GLN A 43 0.617 11.637 11.921 1.00 0.00 O ATOM 727 NE2 GLN A 43 0.812 10.942 9.794 1.00 0.00 N ATOM 0 H GLN A 43 -3.695 10.602 9.627 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.030 13.128 8.328 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.231 13.192 9.983 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.760 12.850 10.768 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.852 11.037 11.706 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.664 10.323 10.117 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.341 10.649 8.938 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.831 10.979 9.829 1.00 0.00 H new ATOM 736 N PHE A 44 -1.955 10.553 7.061 1.00 0.00 N ATOM 737 CA PHE A 44 -1.044 9.942 6.100 1.00 0.00 C ATOM 738 C PHE A 44 -1.268 10.496 4.693 1.00 0.00 C ATOM 739 O PHE A 44 -0.748 9.957 3.716 1.00 0.00 O ATOM 740 CB PHE A 44 -1.224 8.423 6.093 1.00 0.00 C ATOM 741 CG PHE A 44 -0.549 7.732 7.243 1.00 0.00 C ATOM 742 CD1 PHE A 44 -0.821 8.105 8.549 1.00 0.00 C ATOM 743 CD2 PHE A 44 0.359 6.710 7.019 1.00 0.00 C ATOM 744 CE1 PHE A 44 -0.202 7.472 9.609 1.00 0.00 C ATOM 745 CE2 PHE A 44 0.982 6.072 8.075 1.00 0.00 C ATOM 746 CZ PHE A 44 0.701 6.455 9.373 1.00 0.00 C ATOM 0 H PHE A 44 -2.856 10.083 7.147 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.026 10.184 6.405 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.289 8.192 6.116 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.831 8.023 5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.526 8.901 8.741 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.583 6.408 6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.424 7.773 10.622 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.687 5.276 7.886 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.187 5.960 10.201 1.00 0.00 H new ATOM 756 N GLN A 45 -2.042 11.575 4.595 1.00 0.00 N ATOM 757 CA GLN A 45 -2.327 12.193 3.306 1.00 0.00 C ATOM 758 C GLN A 45 -3.045 11.218 2.380 1.00 0.00 C ATOM 759 O GLN A 45 -2.871 11.261 1.162 1.00 0.00 O ATOM 760 CB GLN A 45 -1.032 12.678 2.652 1.00 0.00 C ATOM 761 CG GLN A 45 -0.158 13.511 3.576 1.00 0.00 C ATOM 762 CD GLN A 45 -0.800 14.833 3.952 1.00 0.00 C ATOM 763 OE1 GLN A 45 -1.116 15.650 3.087 1.00 0.00 O ATOM 764 NE2 GLN A 45 -0.995 15.048 5.247 1.00 0.00 N ATOM 0 H GLN A 45 -2.481 12.037 5.392 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.981 13.048 3.479 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.463 11.814 2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.279 13.268 1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.051 12.942 4.482 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.799 13.701 3.091 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.717 14.342 5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.423 15.919 5.561 1.00 0.00 H new ATOM 773 N ASP A 46 -3.850 10.338 2.966 1.00 0.00 N ATOM 774 CA ASP A 46 -4.594 9.350 2.193 1.00 0.00 C ATOM 775 C ASP A 46 -5.687 10.020 1.366 1.00 0.00 C ATOM 776 O ASP A 46 -6.767 10.322 1.873 1.00 0.00 O ATOM 777 CB ASP A 46 -5.210 8.304 3.123 1.00 0.00 C ATOM 778 CG ASP A 46 -6.149 8.917 4.143 1.00 0.00 C ATOM 779 OD1 ASP A 46 -5.656 9.443 5.163 1.00 0.00 O ATOM 780 OD2 ASP A 46 -7.378 8.869 3.923 1.00 0.00 O ATOM 0 H ASP A 46 -4.004 10.289 3.973 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.899 8.857 1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.753 7.569 2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.414 7.769 3.641 1.00 0.00 H new ATOM 785 N HIS A 47 -5.400 10.249 0.088 1.00 0.00 N ATOM 786 CA HIS A 47 -6.358 10.883 -0.810 1.00 0.00 C ATOM 787 C HIS A 47 -6.258 10.296 -2.214 1.00 0.00 C ATOM 788 O HIS A 47 -5.413 9.443 -2.483 1.00 0.00 O ATOM 789 CB HIS A 47 -6.121 12.393 -0.856 1.00 0.00 C ATOM 790 CG HIS A 47 -6.152 13.046 0.491 1.00 0.00 C ATOM 791 ND1 HIS A 47 -5.095 13.770 1.000 1.00 0.00 N ATOM 792 CD2 HIS A 47 -7.120 13.081 1.436 1.00 0.00 C ATOM 793 CE1 HIS A 47 -5.411 14.223 2.200 1.00 0.00 C ATOM 794 NE2 HIS A 47 -6.635 13.818 2.489 1.00 0.00 N ATOM 0 H HIS A 47 -4.511 10.005 -0.349 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.361 10.691 -0.427 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -5.155 12.587 -1.322 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.879 12.852 -1.491 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -8.093 12.616 1.374 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.777 14.822 2.836 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -7.138 14.020 3.353 1.00 0.00 H new ATOM 803 N ALA A 48 -7.127 10.759 -3.106 1.00 0.00 N ATOM 804 CA ALA A 48 -7.137 10.282 -4.483 1.00 0.00 C ATOM 805 C ALA A 48 -6.041 10.952 -5.305 1.00 0.00 C ATOM 806 O ALA A 48 -5.909 12.176 -5.302 1.00 0.00 O ATOM 807 CB ALA A 48 -8.498 10.528 -5.117 1.00 0.00 C ATOM 0 H ALA A 48 -7.834 11.465 -2.899 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.942 9.210 -4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.491 10.167 -6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.264 9.998 -4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.715 11.596 -5.109 1.00 0.00 H new ATOM 813 N LEU A 49 -5.256 10.141 -6.008 1.00 0.00 N ATOM 814 CA LEU A 49 -4.171 10.656 -6.835 1.00 0.00 C ATOM 815 C LEU A 49 -4.717 11.338 -8.084 1.00 0.00 C ATOM 816 O LEU A 49 -5.930 11.420 -8.280 1.00 0.00 O ATOM 817 CB LEU A 49 -3.222 9.523 -7.231 1.00 0.00 C ATOM 818 CG LEU A 49 -2.238 9.090 -6.144 1.00 0.00 C ATOM 819 CD1 LEU A 49 -1.714 7.690 -6.426 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.089 10.081 -6.040 1.00 0.00 C ATOM 0 H LEU A 49 -5.351 9.126 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.621 11.394 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.817 8.658 -7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.656 9.835 -8.109 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.764 9.073 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.015 7.398 -5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.547 6.987 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.204 7.680 -7.389 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.398 9.757 -5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.563 10.130 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.481 11.067 -5.790 1.00 0.00 H new ATOM 832 N LYS A 50 -3.814 11.829 -8.928 1.00 0.00 N ATOM 833 CA LYS A 50 -4.204 12.505 -10.159 1.00 0.00 C ATOM 834 C LYS A 50 -3.631 11.790 -11.378 1.00 0.00 C ATOM 835 O LYS A 50 -2.791 10.900 -11.249 1.00 0.00 O ATOM 836 CB LYS A 50 -3.732 13.960 -10.139 1.00 0.00 C ATOM 837 CG LYS A 50 -4.563 14.857 -9.235 1.00 0.00 C ATOM 838 CD LYS A 50 -4.437 16.320 -9.631 1.00 0.00 C ATOM 839 CE LYS A 50 -3.802 17.149 -8.524 1.00 0.00 C ATOM 840 NZ LYS A 50 -2.811 18.122 -9.057 1.00 0.00 N ATOM 0 H LYS A 50 -2.806 11.771 -8.781 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.292 12.484 -10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.693 13.992 -9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.759 14.356 -11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.609 14.555 -9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.242 14.730 -8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.837 16.402 -10.537 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.423 16.720 -9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.580 17.685 -7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.312 16.487 -7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.402 18.667 -8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.055 17.610 -9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.283 18.771 -9.719 1.00 0.00 H new ATOM 854 N GLY A 51 -4.090 12.187 -12.560 1.00 0.00 N ATOM 855 CA GLY A 51 -3.611 11.574 -13.786 1.00 0.00 C ATOM 856 C GLY A 51 -4.266 10.235 -14.059 1.00 0.00 C ATOM 857 O GLY A 51 -5.483 10.155 -14.233 1.00 0.00 O ATOM 0 H GLY A 51 -4.785 12.922 -12.691 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.802 12.246 -14.623 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.531 11.441 -13.724 1.00 0.00 H new ATOM 861 N LYS A 52 -3.457 9.181 -14.100 1.00 0.00 N ATOM 862 CA LYS A 52 -3.964 7.837 -14.356 1.00 0.00 C ATOM 863 C LYS A 52 -4.466 7.182 -13.072 1.00 0.00 C ATOM 864 O LYS A 52 -5.272 6.252 -13.115 1.00 0.00 O ATOM 865 CB LYS A 52 -2.871 6.971 -14.988 1.00 0.00 C ATOM 866 CG LYS A 52 -2.427 7.459 -16.357 1.00 0.00 C ATOM 867 CD LYS A 52 -3.576 7.454 -17.352 1.00 0.00 C ATOM 868 CE LYS A 52 -4.234 8.820 -17.450 1.00 0.00 C ATOM 869 NZ LYS A 52 -3.796 9.562 -18.665 1.00 0.00 N ATOM 0 H LYS A 52 -2.448 9.231 -13.959 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.803 7.921 -15.047 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.008 6.946 -14.322 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.235 5.947 -15.076 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.024 8.468 -16.271 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.622 6.824 -16.727 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.207 7.155 -18.333 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.316 6.713 -17.051 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.317 8.701 -17.468 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.993 9.404 -16.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.267 10.489 -18.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.765 9.699 -18.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.049 9.018 -19.514 1.00 0.00 H new ATOM 883 N TRP A 53 -3.987 7.671 -11.931 1.00 0.00 N ATOM 884 CA TRP A 53 -4.391 7.129 -10.639 1.00 0.00 C ATOM 885 C TRP A 53 -5.521 7.955 -10.032 1.00 0.00 C ATOM 886 O TRP A 53 -5.557 8.183 -8.823 1.00 0.00 O ATOM 887 CB TRP A 53 -3.197 7.092 -9.679 1.00 0.00 C ATOM 888 CG TRP A 53 -1.918 6.661 -10.331 1.00 0.00 C ATOM 889 CD1 TRP A 53 -1.058 7.445 -11.046 1.00 0.00 C ATOM 890 CD2 TRP A 53 -1.356 5.344 -10.332 1.00 0.00 C ATOM 891 NE1 TRP A 53 0.005 6.696 -11.491 1.00 0.00 N ATOM 892 CE2 TRP A 53 -0.156 5.402 -11.065 1.00 0.00 C ATOM 893 CE3 TRP A 53 -1.751 4.120 -9.785 1.00 0.00 C ATOM 894 CZ2 TRP A 53 0.653 4.286 -11.264 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -0.948 3.012 -9.982 1.00 0.00 C ATOM 896 CH2 TRP A 53 0.241 3.101 -10.716 1.00 0.00 C ATOM 0 H TRP A 53 -3.320 8.440 -11.876 1.00 0.00 H new ATOM 0 HA TRP A 53 -4.752 6.113 -10.797 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.059 8.083 -9.246 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.423 6.413 -8.857 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.194 8.500 -11.234 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.786 7.045 -12.047 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.667 4.041 -9.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.571 4.353 -11.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.243 2.061 -9.563 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.846 2.217 -10.853 1.00 0.00 H new ATOM 907 N LYS A 54 -6.443 8.399 -10.879 1.00 0.00 N ATOM 908 CA LYS A 54 -7.574 9.201 -10.429 1.00 0.00 C ATOM 909 C LYS A 54 -8.599 8.345 -9.687 1.00 0.00 C ATOM 910 O LYS A 54 -9.005 8.681 -8.576 1.00 0.00 O ATOM 911 CB LYS A 54 -8.238 9.901 -11.618 1.00 0.00 C ATOM 912 CG LYS A 54 -8.623 11.344 -11.335 1.00 0.00 C ATOM 913 CD LYS A 54 -9.626 11.861 -12.354 1.00 0.00 C ATOM 914 CE LYS A 54 -8.973 12.109 -13.704 1.00 0.00 C ATOM 915 NZ LYS A 54 -9.899 12.789 -14.653 1.00 0.00 N ATOM 0 H LYS A 54 -6.429 8.217 -11.882 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.195 9.954 -9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.559 9.875 -12.470 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.130 9.345 -11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.048 11.419 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.731 11.970 -11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.435 11.140 -12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.072 12.786 -11.989 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.080 12.719 -13.569 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.649 11.160 -14.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.416 12.940 -15.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.740 12.196 -14.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.188 13.707 -14.258 1.00 0.00 H new ATOM 929 N PRO A 55 -9.032 7.224 -10.290 1.00 0.00 N ATOM 930 CA PRO A 55 -10.012 6.332 -9.671 1.00 0.00 C ATOM 931 C PRO A 55 -9.385 5.409 -8.629 1.00 0.00 C ATOM 932 O PRO A 55 -9.638 4.204 -8.622 1.00 0.00 O ATOM 933 CB PRO A 55 -10.535 5.524 -10.856 1.00 0.00 C ATOM 934 CG PRO A 55 -9.386 5.460 -11.803 1.00 0.00 C ATOM 935 CD PRO A 55 -8.608 6.740 -11.619 1.00 0.00 C ATOM 0 HA PRO A 55 -10.784 6.880 -9.130 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.851 4.527 -10.548 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.400 6.005 -11.313 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.760 4.592 -11.595 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.735 5.363 -12.831 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.533 6.563 -11.656 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.839 7.464 -12.400 1.00 0.00 H new ATOM 943 N PHE A 56 -8.567 5.981 -7.748 1.00 0.00 N ATOM 944 CA PHE A 56 -7.909 5.205 -6.704 1.00 0.00 C ATOM 945 C PHE A 56 -7.498 6.100 -5.539 1.00 0.00 C ATOM 946 O PHE A 56 -7.659 7.319 -5.593 1.00 0.00 O ATOM 947 CB PHE A 56 -6.682 4.488 -7.267 1.00 0.00 C ATOM 948 CG PHE A 56 -7.012 3.469 -8.321 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.469 2.210 -7.966 1.00 0.00 C ATOM 950 CD2 PHE A 56 -6.867 3.771 -9.665 1.00 0.00 C ATOM 951 CE1 PHE A 56 -7.774 1.271 -8.933 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.170 2.836 -10.637 1.00 0.00 C ATOM 953 CZ PHE A 56 -7.625 1.584 -10.270 1.00 0.00 C ATOM 0 H PHE A 56 -8.346 6.977 -7.738 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.618 4.463 -6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.001 5.227 -7.689 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.153 3.996 -6.451 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.588 1.960 -6.922 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.513 4.749 -9.957 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.129 0.293 -8.643 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.051 3.084 -11.681 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.864 0.852 -11.027 1.00 0.00 H new ATOM 963 N ARG A 57 -6.963 5.485 -4.490 1.00 0.00 N ATOM 964 CA ARG A 57 -6.525 6.226 -3.311 1.00 0.00 C ATOM 965 C ARG A 57 -5.114 5.814 -2.904 1.00 0.00 C ATOM 966 O ARG A 57 -4.795 4.627 -2.855 1.00 0.00 O ATOM 967 CB ARG A 57 -7.494 5.996 -2.149 1.00 0.00 C ATOM 968 CG ARG A 57 -7.336 7.001 -1.020 1.00 0.00 C ATOM 969 CD ARG A 57 -8.660 7.266 -0.320 1.00 0.00 C ATOM 970 NE ARG A 57 -9.238 8.550 -0.713 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.505 8.892 -0.488 1.00 0.00 C ATOM 972 NH1 ARG A 57 -11.328 8.051 0.125 1.00 0.00 N ATOM 973 NH2 ARG A 57 -10.949 10.078 -0.878 1.00 0.00 N ATOM 0 H ARG A 57 -6.822 4.477 -4.431 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.516 7.287 -3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.516 6.041 -2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.343 4.991 -1.754 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.610 6.627 -0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.939 7.936 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.361 6.465 -0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.509 7.251 0.759 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.636 9.223 -1.187 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.991 7.137 0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.298 8.319 0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.320 10.728 -1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.919 10.341 -0.706 1.00 0.00 H new ATOM 987 N GLU A 58 -4.277 6.802 -2.614 1.00 0.00 N ATOM 988 CA GLU A 58 -2.898 6.541 -2.213 1.00 0.00 C ATOM 989 C GLU A 58 -2.717 6.748 -0.713 1.00 0.00 C ATOM 990 O GLU A 58 -3.588 7.303 -0.041 1.00 0.00 O ATOM 991 CB GLU A 58 -1.941 7.452 -2.983 1.00 0.00 C ATOM 992 CG GLU A 58 -0.507 6.949 -3.004 1.00 0.00 C ATOM 993 CD GLU A 58 0.369 7.639 -1.977 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.592 8.861 -2.112 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.830 6.959 -1.038 1.00 0.00 O ATOM 0 H GLU A 58 -4.527 7.790 -2.648 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.669 5.501 -2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.296 7.555 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.962 8.447 -2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.500 5.875 -2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.086 7.104 -3.998 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.579 6.298 -0.193 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.279 6.431 1.227 1.00 0.00 C ATOM 1004 C CYS A 59 0.166 6.035 1.511 1.00 0.00 C ATOM 1005 O CYS A 59 0.551 4.880 1.327 1.00 0.00 O ATOM 1006 CB CYS A 59 -2.230 5.567 2.058 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.350 6.062 3.792 1.00 0.00 S ATOM 0 H CYS A 59 -0.849 5.837 -0.736 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.416 7.476 1.507 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.223 5.605 1.611 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.898 4.530 2.009 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.467 5.623 4.292 1.00 0.00 H new ATOM 1013 N HIS A 60 0.964 7.000 1.956 1.00 0.00 N ATOM 1014 CA HIS A 60 2.368 6.750 2.259 1.00 0.00 C ATOM 1015 C HIS A 60 2.558 6.405 3.735 1.00 0.00 C ATOM 1016 O HIS A 60 2.420 7.262 4.606 1.00 0.00 O ATOM 1017 CB HIS A 60 3.215 7.972 1.894 1.00 0.00 C ATOM 1018 CG HIS A 60 2.925 9.179 2.732 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.755 9.607 3.746 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.888 10.050 2.704 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.243 10.688 4.306 1.00 0.00 C ATOM 1022 NE2 HIS A 60 2.110 10.977 3.692 1.00 0.00 N ATOM 0 H HIS A 60 0.663 7.961 2.115 1.00 0.00 H new ATOM 0 HA HIS A 60 2.695 5.898 1.663 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.269 7.715 1.995 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.047 8.220 0.846 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.629 9.158 4.021 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.044 10.021 2.030 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.677 11.241 5.126 1.00 0.00 H new ATOM 1031 N ILE A 61 2.881 5.143 4.006 1.00 0.00 N ATOM 1032 CA ILE A 61 3.097 4.688 5.375 1.00 0.00 C ATOM 1033 C ILE A 61 4.472 5.118 5.877 1.00 0.00 C ATOM 1034 O ILE A 61 4.678 5.303 7.077 1.00 0.00 O ATOM 1035 CB ILE A 61 2.969 3.152 5.485 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.567 2.706 5.064 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.270 2.686 6.904 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.382 2.617 3.566 1.00 0.00 C ATOM 0 H ILE A 61 2.999 4.419 3.297 1.00 0.00 H new ATOM 0 HA ILE A 61 2.326 5.148 5.994 1.00 0.00 H new ATOM 0 HB ILE A 61 3.698 2.697 4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.357 1.732 5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.836 3.404 5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.174 1.602 6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.286 2.975 7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.566 3.148 7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.365 2.295 3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.559 3.595 3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.089 1.897 3.154 1.00 0.00 H new ATOM 1050 N LYS A 62 5.411 5.276 4.950 1.00 0.00 N ATOM 1051 CA LYS A 62 6.767 5.684 5.292 1.00 0.00 C ATOM 1052 C LYS A 62 7.242 6.802 4.365 1.00 0.00 C ATOM 1053 O LYS A 62 6.597 7.100 3.361 1.00 0.00 O ATOM 1054 CB LYS A 62 7.716 4.487 5.200 1.00 0.00 C ATOM 1055 CG LYS A 62 7.391 3.378 6.187 1.00 0.00 C ATOM 1056 CD LYS A 62 8.649 2.686 6.682 1.00 0.00 C ATOM 1057 CE LYS A 62 9.392 3.539 7.698 1.00 0.00 C ATOM 1058 NZ LYS A 62 8.903 3.304 9.084 1.00 0.00 N ATOM 0 H LYS A 62 5.256 5.127 3.953 1.00 0.00 H new ATOM 0 HA LYS A 62 6.767 6.059 6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.682 4.083 4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.737 4.829 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.845 3.792 7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.736 2.648 5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.386 1.729 7.132 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.304 2.472 5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.458 3.318 7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.272 4.592 7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.001 4.178 9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.902 3.022 9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.464 2.548 9.526 1.00 0.00 H new ATOM 1072 N PRO A 63 8.381 7.443 4.693 1.00 0.00 N ATOM 1073 CA PRO A 63 8.935 8.536 3.885 1.00 0.00 C ATOM 1074 C PRO A 63 9.461 8.069 2.529 1.00 0.00 C ATOM 1075 O PRO A 63 9.946 8.873 1.734 1.00 0.00 O ATOM 1076 CB PRO A 63 10.087 9.084 4.745 1.00 0.00 C ATOM 1077 CG PRO A 63 9.904 8.477 6.098 1.00 0.00 C ATOM 1078 CD PRO A 63 9.209 7.166 5.872 1.00 0.00 C ATOM 0 HA PRO A 63 8.171 9.277 3.648 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.055 8.814 4.322 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.054 10.172 4.796 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.864 8.330 6.593 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.311 9.128 6.741 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.917 6.358 5.689 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.606 6.873 6.731 1.00 0.00 H new ATOM 1086 N ASP A 64 9.357 6.772 2.269 1.00 0.00 N ATOM 1087 CA ASP A 64 9.819 6.203 1.009 1.00 0.00 C ATOM 1088 C ASP A 64 8.907 5.064 0.562 1.00 0.00 C ATOM 1089 O ASP A 64 9.338 4.150 -0.141 1.00 0.00 O ATOM 1090 CB ASP A 64 11.258 5.701 1.149 1.00 0.00 C ATOM 1091 CG ASP A 64 12.266 6.668 0.558 1.00 0.00 C ATOM 1092 OD1 ASP A 64 11.979 7.244 -0.513 1.00 0.00 O ATOM 1093 OD2 ASP A 64 13.342 6.847 1.166 1.00 0.00 O ATOM 0 H ASP A 64 8.956 6.093 2.915 1.00 0.00 H new ATOM 0 HA ASP A 64 9.790 6.985 0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.484 5.543 2.204 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.353 4.734 0.655 1.00 0.00 H new ATOM 1098 N VAL A 65 7.643 5.126 0.971 1.00 0.00 N ATOM 1099 CA VAL A 65 6.671 4.100 0.611 1.00 0.00 C ATOM 1100 C VAL A 65 5.343 4.725 0.198 1.00 0.00 C ATOM 1101 O VAL A 65 4.962 5.785 0.694 1.00 0.00 O ATOM 1102 CB VAL A 65 6.425 3.120 1.774 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.461 2.019 1.357 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.738 2.528 2.256 1.00 0.00 C ATOM 0 H VAL A 65 7.268 5.876 1.552 1.00 0.00 H new ATOM 0 HA VAL A 65 7.091 3.550 -0.231 1.00 0.00 H new ATOM 0 HB VAL A 65 5.973 3.672 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.302 1.339 2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.509 2.461 1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.881 1.468 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.546 1.838 3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.218 1.992 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.393 3.328 2.600 1.00 0.00 H new ATOM 1114 N LEU A 66 4.642 4.057 -0.712 1.00 0.00 N ATOM 1115 CA LEU A 66 3.353 4.541 -1.191 1.00 0.00 C ATOM 1116 C LEU A 66 2.427 3.375 -1.525 1.00 0.00 C ATOM 1117 O LEU A 66 2.455 2.845 -2.635 1.00 0.00 O ATOM 1118 CB LEU A 66 3.539 5.429 -2.425 1.00 0.00 C ATOM 1119 CG LEU A 66 4.836 6.240 -2.457 1.00 0.00 C ATOM 1120 CD1 LEU A 66 5.123 6.734 -3.866 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.759 7.409 -1.485 1.00 0.00 C ATOM 0 H LEU A 66 4.945 3.179 -1.133 1.00 0.00 H new ATOM 0 HA LEU A 66 2.897 5.131 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.501 4.800 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.697 6.118 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 66 5.655 5.590 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.049 7.309 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.223 5.881 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.302 7.367 -4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.690 7.974 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.929 8.059 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.603 7.032 -0.474 1.00 0.00 H new ATOM 1133 N LEU A 67 1.612 2.980 -0.553 1.00 0.00 N ATOM 1134 CA LEU A 67 0.679 1.874 -0.737 1.00 0.00 C ATOM 1135 C LEU A 67 -0.691 2.386 -1.177 1.00 0.00 C ATOM 1136 O LEU A 67 -1.328 3.169 -0.473 1.00 0.00 O ATOM 1137 CB LEU A 67 0.559 1.069 0.565 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.689 0.190 0.692 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -0.916 -0.615 -0.579 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.565 -0.735 1.893 1.00 0.00 C ATOM 0 H LEU A 67 1.579 3.410 0.371 1.00 0.00 H new ATOM 0 HA LEU A 67 1.063 1.223 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.439 0.433 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.577 1.765 1.404 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.551 0.840 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.808 -1.231 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.050 0.064 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.053 -1.255 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.459 -1.353 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.309 -1.375 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.456 -0.141 2.800 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.135 1.935 -2.346 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.427 2.341 -2.885 1.00 0.00 C ATOM 1154 C VAL A 68 -3.515 1.336 -2.516 1.00 0.00 C ATOM 1155 O VAL A 68 -3.316 0.126 -2.616 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.374 2.486 -4.418 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.707 2.981 -4.963 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.245 3.421 -4.824 1.00 0.00 C ATOM 0 H VAL A 68 -0.617 1.287 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.666 3.309 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.179 1.504 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.644 3.075 -6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.492 2.270 -4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.940 3.953 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.221 3.513 -5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.409 4.403 -4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.295 3.018 -4.473 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.664 1.847 -2.087 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.782 0.995 -1.703 1.00 0.00 C ATOM 1170 C TYR A 69 -7.117 1.664 -2.020 1.00 0.00 C ATOM 1171 O TYR A 69 -7.167 2.855 -2.329 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.709 0.665 -0.211 1.00 0.00 C ATOM 1173 CG TYR A 69 -5.931 1.863 0.688 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.214 2.320 0.961 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.859 2.533 1.261 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.422 3.413 1.781 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -5.058 3.627 2.082 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.341 4.063 2.339 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.544 5.152 3.155 1.00 0.00 O ATOM 0 H TYR A 69 -4.845 2.847 -1.997 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.714 0.072 -2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.455 -0.096 0.021 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.733 0.232 0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.063 1.813 0.526 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.853 2.194 1.062 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.426 3.756 1.984 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.213 4.138 2.520 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.680 5.493 3.467 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.194 0.890 -1.940 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.530 1.406 -2.214 1.00 0.00 C ATOM 1191 C LEU A 70 -10.443 1.205 -1.009 1.00 0.00 C ATOM 1192 O LEU A 70 -10.351 0.194 -0.310 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.125 0.717 -3.446 1.00 0.00 C ATOM 1194 CG LEU A 70 -10.666 1.665 -4.518 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -9.542 2.513 -5.096 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.364 0.880 -5.620 1.00 0.00 C ATOM 0 H LEU A 70 -8.168 -0.098 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.449 2.475 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.360 0.084 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.932 0.060 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.395 2.330 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.945 3.181 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.085 3.102 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.790 1.864 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.743 1.570 -6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.656 0.192 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.194 0.316 -5.195 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.321 2.172 -0.769 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.249 2.101 0.354 1.00 0.00 C ATOM 1210 C VAL A 71 -13.644 1.694 -0.107 1.00 0.00 C ATOM 1211 O VAL A 71 -14.411 2.522 -0.597 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.338 3.446 1.096 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.150 3.300 2.374 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -10.947 3.982 1.397 1.00 0.00 C ATOM 0 H VAL A 71 -11.410 3.015 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.860 1.344 1.035 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.847 4.162 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.201 4.262 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.158 2.965 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.673 2.568 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.030 4.934 1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.409 3.269 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.404 4.128 0.464 1.00 0.00 H new ATOM 1224 N LYS A 72 -13.964 0.414 0.053 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.268 -0.101 -0.345 1.00 0.00 C ATOM 1226 C LYS A 72 -16.333 0.275 0.681 1.00 0.00 C ATOM 1227 O LYS A 72 -16.011 0.718 1.784 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.211 -1.622 -0.506 1.00 0.00 C ATOM 1229 CG LYS A 72 -16.096 -2.152 -1.626 1.00 0.00 C ATOM 1230 CD LYS A 72 -15.782 -1.482 -2.955 1.00 0.00 C ATOM 1231 CE LYS A 72 -16.896 -0.540 -3.382 1.00 0.00 C ATOM 1232 NZ LYS A 72 -16.864 -0.267 -4.846 1.00 0.00 N ATOM 0 H LYS A 72 -13.339 -0.284 0.455 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.535 0.348 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.180 -1.920 -0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.509 -2.089 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.958 -3.229 -1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.143 -1.985 -1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.847 -0.927 -2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.634 -2.243 -3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.860 -0.973 -3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.806 0.399 -2.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.640 0.379 -5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.955 0.170 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.975 -1.160 -5.368 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.600 0.096 0.303 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.738 0.414 1.173 1.00 0.00 C ATOM 1248 C ASP A 73 -18.398 0.246 2.652 1.00 0.00 C ATOM 1249 O ASP A 73 -18.464 1.200 3.427 1.00 0.00 O ATOM 1250 CB ASP A 73 -19.937 -0.469 0.819 1.00 0.00 C ATOM 1251 CG ASP A 73 -19.533 -1.878 0.430 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -18.432 -2.311 0.829 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -20.319 -2.549 -0.273 1.00 0.00 O ATOM 0 H ASP A 73 -17.867 -0.272 -0.610 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.987 1.462 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.615 -0.512 1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.488 -0.013 -0.004 1.00 0.00 H new ATOM 1258 N ASP A 74 -18.036 -0.971 3.037 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.686 -1.261 4.422 1.00 0.00 C ATOM 1260 C ASP A 74 -16.552 -2.276 4.492 1.00 0.00 C ATOM 1261 O ASP A 74 -16.468 -3.065 5.433 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.906 -1.789 5.179 1.00 0.00 C ATOM 1263 CG ASP A 74 -19.859 -0.681 5.584 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -20.634 -0.220 4.721 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -19.829 -0.277 6.764 1.00 0.00 O ATOM 0 H ASP A 74 -17.977 -1.773 2.410 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.352 -0.335 4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.435 -2.509 4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.575 -2.323 6.070 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.680 -2.253 3.487 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.552 -3.176 3.441 1.00 0.00 C ATOM 1272 C GLU A 75 -13.402 -2.601 2.620 1.00 0.00 C ATOM 1273 O GLU A 75 -13.490 -2.498 1.397 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.992 -4.518 2.850 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.782 -5.380 3.821 1.00 0.00 C ATOM 1276 CD GLU A 75 -17.275 -5.131 3.741 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -17.805 -5.061 2.613 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -17.913 -5.004 4.807 1.00 0.00 O ATOM 0 H GLU A 75 -15.733 -1.609 2.698 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.201 -3.328 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.599 -4.334 1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.110 -5.068 2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.581 -6.431 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.439 -5.184 4.837 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.321 -2.234 3.302 1.00 0.00 N ATOM 1286 CA LEU A 76 -11.152 -1.675 2.634 1.00 0.00 C ATOM 1287 C LEU A 76 -10.431 -2.744 1.820 1.00 0.00 C ATOM 1288 O LEU A 76 -10.332 -3.897 2.241 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.194 -1.065 3.660 1.00 0.00 C ATOM 1290 CG LEU A 76 -8.913 -0.467 3.076 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -9.016 1.049 2.999 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.704 -0.880 3.904 1.00 0.00 C ATOM 0 H LEU A 76 -12.231 -2.314 4.315 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.491 -0.892 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.723 -0.286 4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.921 -1.835 4.382 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.785 -0.853 2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.095 1.455 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.856 1.325 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.171 1.454 3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.802 -0.445 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.825 -0.525 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.618 -1.967 3.905 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.931 -2.358 0.650 1.00 0.00 N ATOM 1305 CA ILE A 77 -9.222 -3.288 -0.221 1.00 0.00 C ATOM 1306 C ILE A 77 -7.881 -2.715 -0.670 1.00 0.00 C ATOM 1307 O ILE A 77 -7.786 -1.542 -1.033 1.00 0.00 O ATOM 1308 CB ILE A 77 -10.064 -3.645 -1.463 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.266 -2.410 -2.347 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.405 -4.228 -1.045 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.332 -2.361 -3.537 1.00 0.00 C ATOM 0 H ILE A 77 -10.004 -1.409 0.284 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.045 -4.193 0.360 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.527 -4.397 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.296 -2.392 -2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.121 -1.514 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.987 -4.475 -1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.242 -5.130 -0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.949 -3.497 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.531 -1.461 -4.119 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.299 -2.348 -3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.493 -3.239 -4.162 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.848 -3.550 -0.644 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.513 -3.127 -1.052 1.00 0.00 C ATOM 1325 C LEU A 78 -5.388 -3.117 -2.572 1.00 0.00 C ATOM 1326 O LEU A 78 -5.863 -4.030 -3.248 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.454 -4.050 -0.447 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.338 -3.988 1.078 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -3.261 -4.943 1.568 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.042 -2.568 1.532 1.00 0.00 C ATOM 0 H LEU A 78 -6.909 -4.523 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.352 -2.113 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.679 -5.076 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.486 -3.801 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.291 -4.294 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.191 -4.887 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.516 -5.961 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.303 -4.667 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.963 -2.543 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.103 -2.234 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.848 -1.908 1.211 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.748 -2.082 -3.103 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.562 -1.957 -4.543 1.00 0.00 C ATOM 1344 C LEU A 79 -3.187 -2.468 -4.962 1.00 0.00 C ATOM 1345 O LEU A 79 -3.066 -3.537 -5.561 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.736 -0.499 -4.978 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.814 -0.264 -6.039 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.544 -1.107 -7.274 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.193 -0.572 -5.473 1.00 0.00 C ATOM 0 H LEU A 79 -4.349 -1.318 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.319 -2.567 -5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.976 0.100 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.784 -0.134 -5.363 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.786 0.786 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.322 -0.925 -8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.574 -0.839 -7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.543 -2.162 -7.001 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.948 -0.400 -6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.231 -1.614 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.389 0.076 -4.619 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.151 -1.699 -4.641 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.786 -2.078 -4.985 1.00 0.00 C ATOM 1363 C ARG A 80 0.224 -1.371 -4.090 1.00 0.00 C ATOM 1364 O ARG A 80 -0.139 -0.513 -3.284 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.499 -1.752 -6.452 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.735 -0.294 -6.808 1.00 0.00 C ATOM 1367 CD ARG A 80 -2.059 -0.106 -7.529 1.00 0.00 C ATOM 1368 NE ARG A 80 -1.992 -0.549 -8.920 1.00 0.00 N ATOM 1369 CZ ARG A 80 -2.825 -0.135 -9.873 1.00 0.00 C ATOM 1370 NH1 ARG A 80 -3.789 0.732 -9.591 1.00 0.00 N ATOM 1371 NH2 ARG A 80 -2.691 -0.589 -11.112 1.00 0.00 N ATOM 0 H ARG A 80 -2.231 -0.812 -4.144 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.688 -3.152 -4.830 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.536 -2.009 -6.677 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.128 -2.378 -7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.724 0.310 -5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.079 0.064 -7.439 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.838 -0.663 -7.008 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.343 0.946 -7.497 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.263 -1.215 -9.176 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.895 1.085 -8.640 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.424 1.045 -10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.951 -1.254 -11.334 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.328 -0.273 -11.843 1.00 0.00 H new ATOM 1385 N LEU A 81 1.491 -1.738 -4.236 1.00 0.00 N ATOM 1386 CA LEU A 81 2.561 -1.143 -3.442 1.00 0.00 C ATOM 1387 C LEU A 81 3.589 -0.463 -4.343 1.00 0.00 C ATOM 1388 O LEU A 81 4.047 -1.044 -5.326 1.00 0.00 O ATOM 1389 CB LEU A 81 3.241 -2.216 -2.587 1.00 0.00 C ATOM 1390 CG LEU A 81 4.223 -1.691 -1.536 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.506 -1.210 -2.196 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.589 -0.576 -0.719 1.00 0.00 C ATOM 0 H LEU A 81 1.804 -2.447 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 81 2.124 -0.389 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.470 -2.797 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.773 -2.900 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 81 4.472 -2.510 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.191 -0.841 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.972 -2.037 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.276 -0.407 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.303 -0.217 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.308 0.244 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.701 -0.955 -0.213 1.00 0.00 H new ATOM 1404 N GLY A 82 3.945 0.771 -4.000 1.00 0.00 N ATOM 1405 CA GLY A 82 4.915 1.507 -4.790 1.00 0.00 C ATOM 1406 C GLY A 82 5.794 2.405 -3.942 1.00 0.00 C ATOM 1407 O GLY A 82 5.711 2.387 -2.713 1.00 0.00 O ATOM 0 H GLY A 82 3.580 1.274 -3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.542 0.803 -5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.392 2.111 -5.531 1.00 0.00 H new ATOM 1411 N SER A 83 6.637 3.193 -4.599 1.00 0.00 N ATOM 1412 CA SER A 83 7.537 4.104 -3.900 1.00 0.00 C ATOM 1413 C SER A 83 7.875 5.307 -4.773 1.00 0.00 C ATOM 1414 O SER A 83 7.315 5.480 -5.855 1.00 0.00 O ATOM 1415 CB SER A 83 8.819 3.375 -3.494 1.00 0.00 C ATOM 1416 OG SER A 83 8.528 2.208 -2.744 1.00 0.00 O ATOM 0 H SER A 83 6.717 3.220 -5.616 1.00 0.00 H new ATOM 0 HA SER A 83 7.031 4.460 -3.002 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.386 3.106 -4.385 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.449 4.042 -2.905 1.00 0.00 H new ATOM 0 HG SER A 83 9.303 1.609 -2.758 1.00 0.00 H new ATOM 1422 N HIS A 84 8.797 6.138 -4.295 1.00 0.00 N ATOM 1423 CA HIS A 84 9.210 7.327 -5.033 1.00 0.00 C ATOM 1424 C HIS A 84 9.918 6.943 -6.330 1.00 0.00 C ATOM 1425 O HIS A 84 9.852 7.669 -7.321 1.00 0.00 O ATOM 1426 CB HIS A 84 10.131 8.192 -4.172 1.00 0.00 C ATOM 1427 CG HIS A 84 10.412 9.538 -4.764 1.00 0.00 C ATOM 1428 ND1 HIS A 84 11.034 9.710 -5.983 1.00 0.00 N ATOM 1429 CD2 HIS A 84 10.150 10.783 -4.299 1.00 0.00 C ATOM 1430 CE1 HIS A 84 11.144 11.002 -6.241 1.00 0.00 C ATOM 1431 NE2 HIS A 84 10.615 11.673 -5.235 1.00 0.00 N ATOM 0 H HIS A 84 9.272 6.010 -3.401 1.00 0.00 H new ATOM 0 HA HIS A 84 8.316 7.898 -5.283 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.679 8.324 -3.189 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.074 7.666 -4.021 1.00 0.00 H new ATOM 0 HD1 HIS A 84 11.358 8.958 -6.591 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.666 11.029 -3.366 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.590 11.435 -7.124 1.00 0.00 H new ATOM 1440 N SER A 85 10.592 5.798 -6.313 1.00 0.00 N ATOM 1441 CA SER A 85 11.312 5.319 -7.488 1.00 0.00 C ATOM 1442 C SER A 85 10.413 4.448 -8.361 1.00 0.00 C ATOM 1443 O SER A 85 10.575 4.399 -9.580 1.00 0.00 O ATOM 1444 CB SER A 85 12.551 4.528 -7.065 1.00 0.00 C ATOM 1445 OG SER A 85 13.532 5.381 -6.499 1.00 0.00 O ATOM 0 H SER A 85 10.655 5.185 -5.500 1.00 0.00 H new ATOM 0 HA SER A 85 11.623 6.186 -8.070 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.269 3.763 -6.342 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.969 4.011 -7.929 1.00 0.00 H new ATOM 0 HG SER A 85 14.313 4.851 -6.235 1.00 0.00 H new ATOM 1451 N GLU A 86 9.466 3.763 -7.729 1.00 0.00 N ATOM 1452 CA GLU A 86 8.542 2.895 -8.449 1.00 0.00 C ATOM 1453 C GLU A 86 7.495 3.715 -9.199 1.00 0.00 C ATOM 1454 O GLU A 86 7.541 3.830 -10.423 1.00 0.00 O ATOM 1455 CB GLU A 86 7.856 1.929 -7.477 1.00 0.00 C ATOM 1456 CG GLU A 86 8.207 0.471 -7.724 1.00 0.00 C ATOM 1457 CD GLU A 86 7.574 -0.076 -8.988 1.00 0.00 C ATOM 1458 OE1 GLU A 86 6.482 0.402 -9.362 1.00 0.00 O ATOM 1459 OE2 GLU A 86 8.171 -0.982 -9.607 1.00 0.00 O ATOM 0 H GLU A 86 9.318 3.792 -6.720 1.00 0.00 H new ATOM 0 HA GLU A 86 9.114 2.320 -9.178 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.134 2.194 -6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.776 2.053 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.290 0.368 -7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.882 -0.126 -6.872 1.00 0.00 H new ATOM 1466 N LEU A 87 6.552 4.284 -8.454 1.00 0.00 N ATOM 1467 CA LEU A 87 5.494 5.092 -9.046 1.00 0.00 C ATOM 1468 C LEU A 87 6.066 6.359 -9.675 1.00 0.00 C ATOM 1469 O LEU A 87 5.567 6.838 -10.695 1.00 0.00 O ATOM 1470 CB LEU A 87 4.451 5.460 -7.989 1.00 0.00 C ATOM 1471 CG LEU A 87 3.939 4.288 -7.149 1.00 0.00 C ATOM 1472 CD1 LEU A 87 3.018 4.786 -6.045 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.221 3.276 -8.030 1.00 0.00 C ATOM 0 H LEU A 87 6.500 4.200 -7.439 1.00 0.00 H new ATOM 0 HA LEU A 87 5.015 4.503 -9.828 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.881 6.206 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.602 5.929 -8.486 1.00 0.00 H new ATOM 0 HG LEU A 87 4.794 3.795 -6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.663 3.939 -5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.564 5.473 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.166 5.303 -6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.863 2.449 -7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.375 3.757 -8.521 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.910 2.897 -8.784 1.00 0.00 H new ATOM 1485 N PHE A 88 7.115 6.897 -9.062 1.00 0.00 N ATOM 1486 CA PHE A 88 7.755 8.108 -9.562 1.00 0.00 C ATOM 1487 C PHE A 88 9.172 7.817 -10.042 1.00 0.00 C ATOM 1488 O PHE A 88 9.707 6.746 -9.688 1.00 0.00 O ATOM 1489 CB PHE A 88 7.783 9.182 -8.473 1.00 0.00 C ATOM 1490 CG PHE A 88 6.557 10.051 -8.454 1.00 0.00 C ATOM 1491 CD1 PHE A 88 6.417 11.093 -9.357 1.00 0.00 C ATOM 1492 CD2 PHE A 88 5.547 9.825 -7.534 1.00 0.00 C ATOM 1493 CE1 PHE A 88 5.290 11.893 -9.341 1.00 0.00 C ATOM 1494 CE2 PHE A 88 4.418 10.622 -7.514 1.00 0.00 C ATOM 1495 CZ PHE A 88 4.290 11.658 -8.419 1.00 0.00 C ATOM 1496 OXT PHE A 88 9.735 8.661 -10.770 1.00 0.00 O ATOM 0 H PHE A 88 7.540 6.513 -8.218 1.00 0.00 H new ATOM 0 HA PHE A 88 7.173 8.473 -10.408 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.892 8.700 -7.501 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.662 9.811 -8.617 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.196 11.282 -10.080 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.643 9.017 -6.824 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.192 12.702 -10.050 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.637 10.435 -6.792 1.00 0.00 H new ATOM 0 HZ PHE A 88 3.409 12.283 -8.405 1.00 0.00 H new TER 1506 PHE A 88