USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 400 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 18 HIS HE2 : A 18 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.00992 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 39:sc= 0.401 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 8 TYR OH : rot 180:sc= -0.237 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0688 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -1.23! C(o=-2.1!,f=-1.2!) USER MOD Single : A 25 THR OG1 : rot -48:sc= 1.26 USER MOD Single : A 26 ASN : amide:sc= -0.121 K(o=-0.12,f=-2) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0936 X(o=-0.094,f=-0.12) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0253) USER MOD Single : A 39 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.53) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 171:sc= 0 (180deg=-0.0237) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.074 F(o=-0.59,f=-0.074) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.968 -10.071 6.005 1.00 0.00 N ATOM 2 CA GLY A 1 -10.926 -8.805 5.297 1.00 0.00 C ATOM 3 C GLY A 1 -10.570 -7.644 6.205 1.00 0.00 C ATOM 4 O GLY A 1 -10.993 -7.599 7.360 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.750 -10.649 5.637 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.070 -10.576 5.866 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.114 -9.897 7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.196 -8.868 4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.896 -8.618 4.836 1.00 0.00 H new ATOM 8 N SER A 2 -9.788 -6.705 5.683 1.00 0.00 N ATOM 9 CA SER A 2 -9.370 -5.541 6.457 1.00 0.00 C ATOM 10 C SER A 2 -10.143 -4.298 6.028 1.00 0.00 C ATOM 11 O SER A 2 -10.447 -4.118 4.849 1.00 0.00 O ATOM 12 CB SER A 2 -7.868 -5.305 6.291 1.00 0.00 C ATOM 13 OG SER A 2 -7.129 -6.003 7.279 1.00 0.00 O ATOM 0 H SER A 2 -9.431 -6.727 4.728 1.00 0.00 H new ATOM 0 HA SER A 2 -9.585 -5.737 7.507 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.553 -5.630 5.300 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.655 -4.238 6.359 1.00 0.00 H new ATOM 0 HG SER A 2 -6.172 -5.837 7.150 1.00 0.00 H new ATOM 19 N SER A 3 -10.458 -3.442 6.995 1.00 0.00 N ATOM 20 CA SER A 3 -11.199 -2.216 6.719 1.00 0.00 C ATOM 21 C SER A 3 -10.374 -0.988 7.090 1.00 0.00 C ATOM 22 O SER A 3 -10.070 -0.760 8.260 1.00 0.00 O ATOM 23 CB SER A 3 -12.520 -2.209 7.490 1.00 0.00 C ATOM 24 OG SER A 3 -12.302 -2.410 8.876 1.00 0.00 O ATOM 0 H SER A 3 -10.212 -3.574 7.976 1.00 0.00 H new ATOM 0 HA SER A 3 -11.410 -2.181 5.650 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.031 -1.259 7.333 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.174 -2.991 7.104 1.00 0.00 H new ATOM 0 HG SER A 3 -11.498 -1.923 9.155 1.00 0.00 H new ATOM 30 N GLY A 4 -10.014 -0.198 6.083 1.00 0.00 N ATOM 31 CA GLY A 4 -9.227 0.998 6.322 1.00 0.00 C ATOM 32 C GLY A 4 -8.368 1.375 5.132 1.00 0.00 C ATOM 33 O GLY A 4 -8.744 2.232 4.332 1.00 0.00 O ATOM 0 H GLY A 4 -10.253 -0.365 5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.894 1.826 6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.589 0.841 7.192 1.00 0.00 H new ATOM 37 N SER A 5 -7.209 0.734 5.014 1.00 0.00 N ATOM 38 CA SER A 5 -6.291 1.010 3.915 1.00 0.00 C ATOM 39 C SER A 5 -7.056 1.276 2.622 1.00 0.00 C ATOM 40 O SER A 5 -6.888 2.320 1.992 1.00 0.00 O ATOM 41 CB SER A 5 -5.328 -0.162 3.720 1.00 0.00 C ATOM 42 OG SER A 5 -4.346 -0.191 4.741 1.00 0.00 O ATOM 0 H SER A 5 -6.884 0.020 5.666 1.00 0.00 H new ATOM 0 HA SER A 5 -5.718 1.902 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.885 -1.099 3.721 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.843 -0.080 2.747 1.00 0.00 H new ATOM 0 HG SER A 5 -3.744 -0.950 4.594 1.00 0.00 H new ATOM 48 N SER A 6 -7.895 0.322 2.232 1.00 0.00 N ATOM 49 CA SER A 6 -8.684 0.450 1.012 1.00 0.00 C ATOM 50 C SER A 6 -10.164 0.211 1.294 1.00 0.00 C ATOM 51 O SER A 6 -10.521 -0.556 2.187 1.00 0.00 O ATOM 52 CB SER A 6 -8.189 -0.538 -0.046 1.00 0.00 C ATOM 53 OG SER A 6 -7.047 -0.036 -0.719 1.00 0.00 O ATOM 0 H SER A 6 -8.046 -0.548 2.743 1.00 0.00 H new ATOM 0 HA SER A 6 -8.563 1.466 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.947 -1.490 0.426 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.983 -0.732 -0.767 1.00 0.00 H new ATOM 0 HG SER A 6 -6.749 -0.687 -1.389 1.00 0.00 H new ATOM 59 N GLY A 7 -11.021 0.875 0.525 1.00 0.00 N ATOM 60 CA GLY A 7 -12.453 0.722 0.707 1.00 0.00 C ATOM 61 C GLY A 7 -12.891 -0.728 0.670 1.00 0.00 C ATOM 62 O GLY A 7 -13.539 -1.212 1.598 1.00 0.00 O ATOM 0 H GLY A 7 -10.750 1.516 -0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.744 1.162 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.976 1.276 -0.072 1.00 0.00 H new ATOM 66 N TYR A 8 -12.538 -1.424 -0.405 1.00 0.00 N ATOM 67 CA TYR A 8 -12.903 -2.827 -0.561 1.00 0.00 C ATOM 68 C TYR A 8 -12.064 -3.490 -1.650 1.00 0.00 C ATOM 69 O TYR A 8 -11.375 -2.817 -2.417 1.00 0.00 O ATOM 70 CB TYR A 8 -14.389 -2.955 -0.899 1.00 0.00 C ATOM 71 CG TYR A 8 -14.680 -2.906 -2.382 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.488 -4.024 -3.184 1.00 0.00 C ATOM 73 CD2 TYR A 8 -15.146 -1.742 -2.980 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.752 -3.984 -4.540 1.00 0.00 C ATOM 75 CE2 TYR A 8 -15.413 -1.693 -4.335 1.00 0.00 C ATOM 76 CZ TYR A 8 -15.215 -2.817 -5.110 1.00 0.00 C ATOM 77 OH TYR A 8 -15.479 -2.772 -6.460 1.00 0.00 O ATOM 0 H TYR A 8 -12.000 -1.039 -1.181 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.707 -3.334 0.384 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.765 -3.895 -0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.936 -2.153 -0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.126 -4.940 -2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.302 -0.861 -2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.597 -4.862 -5.150 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.775 -0.780 -4.785 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.799 -1.878 -6.701 1.00 0.00 H new ATOM 87 N THR A 9 -12.127 -4.816 -1.711 1.00 0.00 N ATOM 88 CA THR A 9 -11.375 -5.573 -2.704 1.00 0.00 C ATOM 89 C THR A 9 -12.102 -6.857 -3.085 1.00 0.00 C ATOM 90 O THR A 9 -12.860 -7.412 -2.289 1.00 0.00 O ATOM 91 CB THR A 9 -9.966 -5.927 -2.191 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.319 -4.753 -1.686 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.124 -6.539 -3.300 1.00 0.00 C ATOM 0 H THR A 9 -12.692 -5.389 -1.084 1.00 0.00 H new ATOM 0 HA THR A 9 -11.285 -4.936 -3.584 1.00 0.00 H new ATOM 0 HB THR A 9 -10.069 -6.658 -1.389 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.425 -4.987 -1.360 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.134 -6.781 -2.914 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.604 -7.448 -3.662 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.030 -5.827 -4.120 1.00 0.00 H new ATOM 101 N CYS A 10 -11.867 -7.325 -4.306 1.00 0.00 N ATOM 102 CA CYS A 10 -12.499 -8.545 -4.793 1.00 0.00 C ATOM 103 C CYS A 10 -12.278 -9.699 -3.819 1.00 0.00 C ATOM 104 O CYS A 10 -11.155 -10.172 -3.645 1.00 0.00 O ATOM 105 CB CYS A 10 -11.949 -8.914 -6.172 1.00 0.00 C ATOM 106 SG CYS A 10 -12.621 -10.466 -6.849 1.00 0.00 S ATOM 0 H CYS A 10 -11.243 -6.877 -4.977 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.570 -8.362 -4.874 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.166 -8.103 -6.867 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.864 -8.997 -6.108 1.00 0.00 H new ATOM 111 N PHE A 11 -13.358 -10.147 -3.187 1.00 0.00 N ATOM 112 CA PHE A 11 -13.282 -11.245 -2.230 1.00 0.00 C ATOM 113 C PHE A 11 -13.129 -12.582 -2.947 1.00 0.00 C ATOM 114 O PHE A 11 -13.025 -13.632 -2.312 1.00 0.00 O ATOM 115 CB PHE A 11 -14.532 -11.267 -1.347 1.00 0.00 C ATOM 116 CG PHE A 11 -14.446 -12.245 -0.210 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.903 -11.867 1.007 1.00 0.00 C ATOM 118 CD2 PHE A 11 -14.909 -13.542 -0.359 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.822 -12.765 2.054 1.00 0.00 C ATOM 120 CE2 PHE A 11 -14.831 -14.445 0.685 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.288 -14.055 1.893 1.00 0.00 C ATOM 0 H PHE A 11 -14.295 -9.767 -3.320 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.405 -11.087 -1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.700 -10.268 -0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.397 -11.513 -1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.539 -10.859 1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.336 -13.851 -1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.395 -12.458 2.997 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.194 -15.454 0.556 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.228 -14.758 2.711 1.00 0.00 H new ATOM 131 N ARG A 12 -13.117 -12.537 -4.275 1.00 0.00 N ATOM 132 CA ARG A 12 -12.979 -13.744 -5.080 1.00 0.00 C ATOM 133 C ARG A 12 -11.515 -14.158 -5.193 1.00 0.00 C ATOM 134 O ARG A 12 -11.106 -15.188 -4.656 1.00 0.00 O ATOM 135 CB ARG A 12 -13.567 -13.523 -6.475 1.00 0.00 C ATOM 136 CG ARG A 12 -13.999 -14.807 -7.165 1.00 0.00 C ATOM 137 CD ARG A 12 -14.801 -14.520 -8.425 1.00 0.00 C ATOM 138 NE ARG A 12 -15.074 -15.734 -9.188 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.924 -16.675 -8.792 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.580 -16.542 -7.648 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.119 -17.752 -9.542 1.00 0.00 N ATOM 0 H ARG A 12 -13.201 -11.677 -4.816 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.528 -14.545 -4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.426 -12.856 -6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.827 -13.018 -7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.119 -15.398 -7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.598 -15.406 -6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.743 -14.042 -8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.254 -13.814 -9.050 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.586 -15.867 -10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.433 -15.715 -7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.232 -17.266 -7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.616 -17.858 -10.423 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.772 -18.474 -9.237 1.00 0.00 H new ATOM 155 N CYS A 13 -10.729 -13.348 -5.896 1.00 0.00 N ATOM 156 CA CYS A 13 -9.311 -13.629 -6.081 1.00 0.00 C ATOM 157 C CYS A 13 -8.464 -12.821 -5.103 1.00 0.00 C ATOM 158 O CYS A 13 -7.372 -13.238 -4.719 1.00 0.00 O ATOM 159 CB CYS A 13 -8.890 -13.314 -7.518 1.00 0.00 C ATOM 160 SG CYS A 13 -8.996 -11.548 -7.954 1.00 0.00 S ATOM 0 H CYS A 13 -11.051 -12.492 -6.347 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.148 -14.689 -5.886 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.865 -13.653 -7.668 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.518 -13.885 -8.203 1.00 0.00 H new ATOM 165 N GLY A 14 -8.977 -11.661 -4.703 1.00 0.00 N ATOM 166 CA GLY A 14 -8.255 -10.812 -3.773 1.00 0.00 C ATOM 167 C GLY A 14 -7.489 -9.706 -4.472 1.00 0.00 C ATOM 168 O GLY A 14 -6.371 -9.371 -4.080 1.00 0.00 O ATOM 0 H GLY A 14 -9.879 -11.294 -5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.959 -10.372 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.561 -11.421 -3.194 1.00 0.00 H new ATOM 172 N LYS A 15 -8.090 -9.138 -5.511 1.00 0.00 N ATOM 173 CA LYS A 15 -7.458 -8.064 -6.268 1.00 0.00 C ATOM 174 C LYS A 15 -8.383 -6.855 -6.372 1.00 0.00 C ATOM 175 O LYS A 15 -9.555 -6.968 -6.730 1.00 0.00 O ATOM 176 CB LYS A 15 -7.081 -8.552 -7.668 1.00 0.00 C ATOM 177 CG LYS A 15 -5.916 -9.526 -7.679 1.00 0.00 C ATOM 178 CD LYS A 15 -4.587 -8.805 -7.828 1.00 0.00 C ATOM 179 CE LYS A 15 -4.198 -8.647 -9.290 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.743 -8.373 -9.450 1.00 0.00 N ATOM 0 H LYS A 15 -9.015 -9.404 -5.849 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.554 -7.764 -5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.948 -9.031 -8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.830 -7.692 -8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.915 -10.104 -6.755 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.041 -10.234 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.650 -7.823 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.810 -9.360 -7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.459 -9.554 -9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.772 -7.833 -9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.518 -8.272 -10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.498 -7.494 -8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.195 -9.162 -9.051 1.00 0.00 H new ATOM 194 N PRO A 16 -7.845 -5.668 -6.052 1.00 0.00 N ATOM 195 CA PRO A 16 -8.604 -4.415 -6.103 1.00 0.00 C ATOM 196 C PRO A 16 -8.929 -3.993 -7.532 1.00 0.00 C ATOM 197 O PRO A 16 -8.579 -4.683 -8.489 1.00 0.00 O ATOM 198 CB PRO A 16 -7.661 -3.403 -5.448 1.00 0.00 C ATOM 199 CG PRO A 16 -6.297 -3.964 -5.658 1.00 0.00 C ATOM 200 CD PRO A 16 -6.454 -5.459 -5.616 1.00 0.00 C ATOM 0 HA PRO A 16 -9.570 -4.502 -5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.758 -2.418 -5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.882 -3.286 -4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.885 -3.641 -6.614 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.611 -3.622 -4.884 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.746 -5.956 -6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.283 -5.853 -4.614 1.00 0.00 H new ATOM 208 N GLY A 17 -9.602 -2.854 -7.669 1.00 0.00 N ATOM 209 CA GLY A 17 -9.963 -2.360 -8.985 1.00 0.00 C ATOM 210 C GLY A 17 -11.293 -2.906 -9.464 1.00 0.00 C ATOM 211 O GLY A 17 -12.008 -2.246 -10.220 1.00 0.00 O ATOM 0 H GLY A 17 -9.903 -2.265 -6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.008 -1.271 -8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.184 -2.631 -9.698 1.00 0.00 H new ATOM 215 N HIS A 18 -11.628 -4.116 -9.026 1.00 0.00 N ATOM 216 CA HIS A 18 -12.881 -4.751 -9.417 1.00 0.00 C ATOM 217 C HIS A 18 -13.524 -5.459 -8.228 1.00 0.00 C ATOM 218 O HIS A 18 -12.892 -5.648 -7.189 1.00 0.00 O ATOM 219 CB HIS A 18 -12.641 -5.748 -10.550 1.00 0.00 C ATOM 220 CG HIS A 18 -11.862 -6.956 -10.130 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.485 -7.017 -10.174 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.275 -8.154 -9.655 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.085 -8.201 -9.745 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.152 -8.910 -9.423 1.00 0.00 N ATOM 0 H HIS A 18 -11.049 -4.676 -8.400 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.560 -3.974 -9.766 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.603 -6.068 -10.951 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.109 -5.246 -11.358 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.871 -6.266 -10.489 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.298 -8.459 -9.489 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.060 -8.533 -9.670 1.00 0.00 H new ATOM 232 N TYR A 19 -14.784 -5.849 -8.389 1.00 0.00 N ATOM 233 CA TYR A 19 -15.514 -6.533 -7.328 1.00 0.00 C ATOM 234 C TYR A 19 -15.738 -8.001 -7.681 1.00 0.00 C ATOM 235 O TYR A 19 -15.756 -8.373 -8.854 1.00 0.00 O ATOM 236 CB TYR A 19 -16.857 -5.846 -7.079 1.00 0.00 C ATOM 237 CG TYR A 19 -17.430 -5.173 -8.306 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.786 -4.090 -8.892 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.615 -5.618 -8.879 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.305 -3.471 -10.013 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.140 -5.007 -10.000 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.482 -3.933 -10.563 1.00 0.00 C ATOM 243 OH TYR A 19 -19.004 -3.320 -11.680 1.00 0.00 O ATOM 0 H TYR A 19 -15.321 -5.703 -9.244 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.915 -6.483 -6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.571 -6.584 -6.713 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.735 -5.103 -6.291 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.864 -3.726 -8.464 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.135 -6.457 -8.440 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.792 -2.630 -10.456 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.061 -5.368 -10.434 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.836 -3.768 -11.941 1.00 0.00 H new ATOM 253 N ILE A 20 -15.909 -8.829 -6.656 1.00 0.00 N ATOM 254 CA ILE A 20 -16.134 -10.255 -6.856 1.00 0.00 C ATOM 255 C ILE A 20 -17.151 -10.501 -7.966 1.00 0.00 C ATOM 256 O ILE A 20 -17.052 -11.477 -8.709 1.00 0.00 O ATOM 257 CB ILE A 20 -16.626 -10.934 -5.564 1.00 0.00 C ATOM 258 CG1 ILE A 20 -16.993 -12.394 -5.838 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.818 -10.181 -4.991 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.765 -13.306 -4.653 1.00 0.00 C ATOM 0 H ILE A 20 -15.896 -8.537 -5.679 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.176 -10.689 -7.142 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.821 -10.913 -4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.041 -12.448 -6.131 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.407 -12.755 -6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.154 -10.673 -4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.526 -9.156 -4.764 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.629 -10.175 -5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.046 -14.325 -4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.712 -13.282 -4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.372 -12.969 -3.813 1.00 0.00 H new ATOM 272 N LYS A 21 -18.128 -9.607 -8.074 1.00 0.00 N ATOM 273 CA LYS A 21 -19.162 -9.723 -9.095 1.00 0.00 C ATOM 274 C LYS A 21 -18.602 -9.400 -10.476 1.00 0.00 C ATOM 275 O LYS A 21 -19.030 -9.971 -11.478 1.00 0.00 O ATOM 276 CB LYS A 21 -20.331 -8.788 -8.775 1.00 0.00 C ATOM 277 CG LYS A 21 -20.446 -8.440 -7.300 1.00 0.00 C ATOM 278 CD LYS A 21 -21.774 -7.774 -6.987 1.00 0.00 C ATOM 279 CE LYS A 21 -21.646 -6.792 -5.832 1.00 0.00 C ATOM 280 NZ LYS A 21 -22.790 -5.840 -5.784 1.00 0.00 N ATOM 0 H LYS A 21 -18.225 -8.794 -7.466 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.519 -10.753 -9.099 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.217 -7.868 -9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.259 -9.256 -9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.342 -9.346 -6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.629 -7.776 -7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -22.138 -7.251 -7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.514 -8.535 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.591 -7.342 -4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -20.714 -6.235 -5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -22.666 -5.188 -4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.827 -5.297 -6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.677 -6.369 -5.665 1.00 0.00 H new ATOM 294 N ASN A 22 -17.643 -8.481 -10.520 1.00 0.00 N ATOM 295 CA ASN A 22 -17.024 -8.083 -11.780 1.00 0.00 C ATOM 296 C ASN A 22 -15.639 -8.707 -11.926 1.00 0.00 C ATOM 297 O ASN A 22 -14.827 -8.259 -12.736 1.00 0.00 O ATOM 298 CB ASN A 22 -16.920 -6.559 -11.861 1.00 0.00 C ATOM 299 CG ASN A 22 -16.136 -6.097 -13.075 1.00 0.00 C ATOM 300 OD1 ASN A 22 -15.090 -5.314 -12.840 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -16.468 -6.441 -14.209 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.278 -7.998 -9.699 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.653 -8.442 -12.595 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.922 -6.130 -11.894 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.441 -6.182 -10.957 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.280 -7.044 -14.342 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.931 -6.123 -15.016 1.00 0.00 H new ATOM 308 N CYS A 23 -15.377 -9.744 -11.138 1.00 0.00 N ATOM 309 CA CYS A 23 -14.092 -10.431 -11.179 1.00 0.00 C ATOM 310 C CYS A 23 -13.922 -11.189 -12.491 1.00 0.00 C ATOM 311 O CYS A 23 -14.831 -11.872 -12.965 1.00 0.00 O ATOM 312 CB CYS A 23 -13.968 -11.397 -9.999 1.00 0.00 C ATOM 313 SG CYS A 23 -12.367 -12.261 -9.910 1.00 0.00 S ATOM 0 H CYS A 23 -16.038 -10.127 -10.463 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.305 -9.680 -11.109 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.122 -10.844 -9.073 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.765 -12.138 -10.064 1.00 0.00 H new ATOM 318 N PRO A 24 -12.730 -11.069 -13.095 1.00 0.00 N ATOM 319 CA PRO A 24 -12.412 -11.737 -14.360 1.00 0.00 C ATOM 320 C PRO A 24 -12.289 -13.248 -14.203 1.00 0.00 C ATOM 321 O PRO A 24 -12.857 -14.013 -14.985 1.00 0.00 O ATOM 322 CB PRO A 24 -11.063 -11.129 -14.753 1.00 0.00 C ATOM 323 CG PRO A 24 -10.454 -10.693 -13.465 1.00 0.00 C ATOM 324 CD PRO A 24 -11.600 -10.272 -12.587 1.00 0.00 C ATOM 0 HA PRO A 24 -13.194 -11.592 -15.105 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.433 -11.859 -15.262 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.191 -10.288 -15.435 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.888 -11.504 -13.006 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.759 -9.868 -13.621 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.400 -10.483 -11.536 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.795 -9.202 -12.666 1.00 0.00 H new ATOM 332 N THR A 25 -11.545 -13.675 -13.188 1.00 0.00 N ATOM 333 CA THR A 25 -11.348 -15.096 -12.928 1.00 0.00 C ATOM 334 C THR A 25 -12.638 -15.878 -13.145 1.00 0.00 C ATOM 335 O THR A 25 -12.608 -17.055 -13.504 1.00 0.00 O ATOM 336 CB THR A 25 -10.847 -15.341 -11.492 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.869 -14.993 -10.551 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.593 -14.527 -11.211 1.00 0.00 C ATOM 0 H THR A 25 -11.068 -13.057 -12.532 1.00 0.00 H new ATOM 0 HA THR A 25 -10.592 -15.444 -13.632 1.00 0.00 H new ATOM 0 HB THR A 25 -10.605 -16.399 -11.390 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.237 -14.114 -10.778 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.257 -14.716 -10.191 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.808 -14.815 -11.911 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.814 -13.466 -11.330 1.00 0.00 H new ATOM 346 N ASN A 26 -13.770 -15.217 -12.926 1.00 0.00 N ATOM 347 CA ASN A 26 -15.071 -15.853 -13.098 1.00 0.00 C ATOM 348 C ASN A 26 -15.118 -16.655 -14.394 1.00 0.00 C ATOM 349 O ASN A 26 -15.519 -17.818 -14.402 1.00 0.00 O ATOM 350 CB ASN A 26 -16.180 -14.799 -13.097 1.00 0.00 C ATOM 351 CG ASN A 26 -16.701 -14.508 -11.702 1.00 0.00 C ATOM 352 OD1 ASN A 26 -17.255 -15.385 -11.039 1.00 0.00 O ATOM 353 ND2 ASN A 26 -16.525 -13.272 -11.251 1.00 0.00 N ATOM 0 H ASN A 26 -13.813 -14.242 -12.629 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.227 -16.537 -12.263 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.802 -13.878 -13.540 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.003 -15.141 -13.725 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.855 -13.017 -10.320 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -16.060 -12.577 -11.835 1.00 0.00 H new ATOM 360 N GLY A 27 -14.705 -16.025 -15.490 1.00 0.00 N ATOM 361 CA GLY A 27 -14.707 -16.695 -16.777 1.00 0.00 C ATOM 362 C GLY A 27 -13.383 -17.367 -17.082 1.00 0.00 C ATOM 363 O GLY A 27 -12.837 -17.211 -18.175 1.00 0.00 O ATOM 0 H GLY A 27 -14.369 -15.062 -15.509 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.502 -17.441 -16.794 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.932 -15.971 -17.560 1.00 0.00 H new ATOM 367 N ASP A 28 -12.864 -18.116 -16.115 1.00 0.00 N ATOM 368 CA ASP A 28 -11.595 -18.814 -16.286 1.00 0.00 C ATOM 369 C ASP A 28 -11.567 -20.099 -15.465 1.00 0.00 C ATOM 370 O ASP A 28 -12.149 -20.169 -14.382 1.00 0.00 O ATOM 371 CB ASP A 28 -10.432 -17.908 -15.880 1.00 0.00 C ATOM 372 CG ASP A 28 -10.052 -16.927 -16.972 1.00 0.00 C ATOM 373 OD1 ASP A 28 -9.789 -17.376 -18.108 1.00 0.00 O ATOM 374 OD2 ASP A 28 -10.019 -15.711 -16.692 1.00 0.00 O ATOM 0 H ASP A 28 -13.303 -18.255 -15.205 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.491 -19.075 -17.339 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.702 -17.357 -14.979 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.567 -18.522 -15.631 1.00 0.00 H new ATOM 379 N LYS A 29 -10.887 -21.114 -15.987 1.00 0.00 N ATOM 380 CA LYS A 29 -10.782 -22.397 -15.303 1.00 0.00 C ATOM 381 C LYS A 29 -9.526 -22.452 -14.438 1.00 0.00 C ATOM 382 O LYS A 29 -9.590 -22.786 -13.256 1.00 0.00 O ATOM 383 CB LYS A 29 -10.763 -23.541 -16.320 1.00 0.00 C ATOM 384 CG LYS A 29 -12.122 -23.830 -16.934 1.00 0.00 C ATOM 385 CD LYS A 29 -13.028 -24.567 -15.962 1.00 0.00 C ATOM 386 CE LYS A 29 -14.276 -25.094 -16.654 1.00 0.00 C ATOM 387 NZ LYS A 29 -15.196 -23.992 -17.052 1.00 0.00 N ATOM 0 H LYS A 29 -10.400 -21.073 -16.882 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.653 -22.507 -14.657 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.058 -23.298 -17.115 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.394 -24.444 -15.833 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.593 -22.894 -17.234 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.995 -24.426 -17.838 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.482 -25.396 -15.512 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.315 -23.897 -15.151 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.988 -25.664 -17.537 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.798 -25.781 -15.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.034 -24.392 -17.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.491 -23.463 -16.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.706 -23.351 -17.708 1.00 0.00 H new ATOM 401 N ASN A 30 -8.387 -22.119 -15.036 1.00 0.00 N ATOM 402 CA ASN A 30 -7.116 -22.130 -14.319 1.00 0.00 C ATOM 403 C ASN A 30 -6.583 -20.712 -14.137 1.00 0.00 C ATOM 404 O ASN A 30 -6.104 -20.091 -15.086 1.00 0.00 O ATOM 405 CB ASN A 30 -6.090 -22.980 -15.071 1.00 0.00 C ATOM 406 CG ASN A 30 -4.663 -22.571 -14.761 1.00 0.00 C ATOM 407 OD1 ASN A 30 -4.229 -22.614 -13.610 1.00 0.00 O ATOM 408 ND2 ASN A 30 -3.926 -22.172 -15.791 1.00 0.00 N ATOM 0 H ASN A 30 -8.317 -21.838 -16.014 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.286 -22.565 -13.334 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.230 -24.029 -14.810 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.266 -22.893 -16.143 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.958 -21.885 -15.645 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.328 -22.152 -16.728 1.00 0.00 H new ATOM 415 N PHE A 31 -6.668 -20.206 -12.911 1.00 0.00 N ATOM 416 CA PHE A 31 -6.195 -18.862 -12.604 1.00 0.00 C ATOM 417 C PHE A 31 -5.289 -18.872 -11.377 1.00 0.00 C ATOM 418 O PHE A 31 -5.161 -19.888 -10.695 1.00 0.00 O ATOM 419 CB PHE A 31 -7.379 -17.922 -12.370 1.00 0.00 C ATOM 420 CG PHE A 31 -8.383 -18.456 -11.388 1.00 0.00 C ATOM 421 CD1 PHE A 31 -9.270 -19.454 -11.757 1.00 0.00 C ATOM 422 CD2 PHE A 31 -8.438 -17.959 -10.095 1.00 0.00 C ATOM 423 CE1 PHE A 31 -10.195 -19.946 -10.855 1.00 0.00 C ATOM 424 CE2 PHE A 31 -9.361 -18.448 -9.189 1.00 0.00 C ATOM 425 CZ PHE A 31 -10.239 -19.443 -9.570 1.00 0.00 C ATOM 0 H PHE A 31 -7.060 -20.707 -12.114 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.619 -18.503 -13.457 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.006 -16.963 -12.011 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.877 -17.734 -13.321 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.239 -19.852 -12.760 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.752 -17.181 -9.792 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.882 -20.723 -11.155 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.395 -18.052 -8.185 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.960 -19.828 -8.863 1.00 0.00 H new ATOM 435 N GLU A 32 -4.661 -17.732 -11.103 1.00 0.00 N ATOM 436 CA GLU A 32 -3.765 -17.610 -9.958 1.00 0.00 C ATOM 437 C GLU A 32 -4.550 -17.619 -8.650 1.00 0.00 C ATOM 438 O GLU A 32 -5.781 -17.611 -8.652 1.00 0.00 O ATOM 439 CB GLU A 32 -2.940 -16.326 -10.063 1.00 0.00 C ATOM 440 CG GLU A 32 -3.756 -15.060 -9.858 1.00 0.00 C ATOM 441 CD GLU A 32 -4.499 -14.637 -11.111 1.00 0.00 C ATOM 442 OE1 GLU A 32 -3.999 -14.914 -12.220 1.00 0.00 O ATOM 443 OE2 GLU A 32 -5.582 -14.027 -10.980 1.00 0.00 O ATOM 0 H GLU A 32 -4.756 -16.881 -11.657 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.091 -18.467 -9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.140 -16.356 -9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.466 -16.288 -11.044 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.472 -15.220 -9.052 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.095 -14.253 -9.542 1.00 0.00 H new ATOM 450 N SER A 33 -3.828 -17.635 -7.534 1.00 0.00 N ATOM 451 CA SER A 33 -4.456 -17.649 -6.218 1.00 0.00 C ATOM 452 C SER A 33 -3.937 -16.502 -5.356 1.00 0.00 C ATOM 453 O SER A 33 -2.757 -16.160 -5.404 1.00 0.00 O ATOM 454 CB SER A 33 -4.195 -18.985 -5.519 1.00 0.00 C ATOM 455 OG SER A 33 -4.866 -20.045 -6.179 1.00 0.00 O ATOM 0 H SER A 33 -2.808 -17.639 -7.515 1.00 0.00 H new ATOM 0 HA SER A 33 -5.530 -17.522 -6.354 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.124 -19.185 -5.499 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.529 -18.928 -4.483 1.00 0.00 H new ATOM 0 HG SER A 33 -4.682 -20.888 -5.714 1.00 0.00 H new ATOM 461 N GLY A 34 -4.830 -15.912 -4.567 1.00 0.00 N ATOM 462 CA GLY A 34 -4.445 -14.810 -3.705 1.00 0.00 C ATOM 463 C GLY A 34 -3.445 -13.880 -4.365 1.00 0.00 C ATOM 464 O GLY A 34 -3.323 -13.833 -5.589 1.00 0.00 O ATOM 0 H GLY A 34 -5.813 -16.178 -4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.333 -14.244 -3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.016 -15.206 -2.784 1.00 0.00 H new ATOM 468 N PRO A 35 -2.709 -13.117 -3.543 1.00 0.00 N ATOM 469 CA PRO A 35 -1.703 -12.170 -4.032 1.00 0.00 C ATOM 470 C PRO A 35 -0.488 -12.871 -4.629 1.00 0.00 C ATOM 471 O PRO A 35 -0.060 -12.554 -5.739 1.00 0.00 O ATOM 472 CB PRO A 35 -1.308 -11.392 -2.775 1.00 0.00 C ATOM 473 CG PRO A 35 -1.603 -12.320 -1.647 1.00 0.00 C ATOM 474 CD PRO A 35 -2.802 -13.122 -2.074 1.00 0.00 C ATOM 0 HA PRO A 35 -2.090 -11.542 -4.834 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.254 -11.116 -2.795 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.878 -10.467 -2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.752 -12.969 -1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.809 -11.767 -0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.772 -14.135 -1.673 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.732 -12.670 -1.729 1.00 0.00 H new ATOM 482 N ARG A 36 0.063 -13.825 -3.886 1.00 0.00 N ATOM 483 CA ARG A 36 1.230 -14.571 -4.343 1.00 0.00 C ATOM 484 C ARG A 36 1.280 -15.952 -3.696 1.00 0.00 C ATOM 485 O ARG A 36 0.435 -16.290 -2.867 1.00 0.00 O ATOM 486 CB ARG A 36 2.512 -13.799 -4.022 1.00 0.00 C ATOM 487 CG ARG A 36 2.597 -12.446 -4.709 1.00 0.00 C ATOM 488 CD ARG A 36 4.037 -11.977 -4.839 1.00 0.00 C ATOM 489 NE ARG A 36 4.128 -10.530 -5.012 1.00 0.00 N ATOM 490 CZ ARG A 36 5.252 -9.896 -5.329 1.00 0.00 C ATOM 491 NH1 ARG A 36 6.374 -10.580 -5.509 1.00 0.00 N ATOM 492 NH2 ARG A 36 5.254 -8.577 -5.469 1.00 0.00 N ATOM 0 H ARG A 36 -0.279 -14.100 -2.965 1.00 0.00 H new ATOM 0 HA ARG A 36 1.150 -14.697 -5.423 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.578 -13.654 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.372 -14.401 -4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.143 -12.510 -5.698 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.024 -11.712 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.596 -12.272 -3.951 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.505 -12.474 -5.689 1.00 0.00 H new ATOM 0 HE ARG A 36 3.282 -9.975 -4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.375 -11.595 -5.404 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.236 -10.091 -5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.392 -8.048 -5.333 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.117 -8.091 -5.712 1.00 0.00 H new ATOM 506 N ILE A 37 2.273 -16.745 -4.082 1.00 0.00 N ATOM 507 CA ILE A 37 2.433 -18.088 -3.540 1.00 0.00 C ATOM 508 C ILE A 37 2.879 -18.044 -2.083 1.00 0.00 C ATOM 509 O ILE A 37 2.616 -18.967 -1.312 1.00 0.00 O ATOM 510 CB ILE A 37 3.454 -18.906 -4.353 1.00 0.00 C ATOM 511 CG1 ILE A 37 3.489 -20.354 -3.860 1.00 0.00 C ATOM 512 CG2 ILE A 37 4.835 -18.275 -4.257 1.00 0.00 C ATOM 513 CD1 ILE A 37 4.250 -21.286 -4.776 1.00 0.00 C ATOM 0 H ILE A 37 2.979 -16.480 -4.769 1.00 0.00 H new ATOM 0 HA ILE A 37 1.458 -18.572 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 37 3.147 -18.905 -5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.943 -20.381 -2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.467 -20.718 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.545 -18.864 -4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.799 -17.259 -4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.151 -18.248 -3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.233 -22.295 -4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.784 -21.289 -5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.282 -20.947 -4.864 1.00 0.00 H new ATOM 525 N LYS A 38 3.555 -16.962 -1.710 1.00 0.00 N ATOM 526 CA LYS A 38 4.036 -16.794 -0.344 1.00 0.00 C ATOM 527 C LYS A 38 2.939 -16.230 0.554 1.00 0.00 C ATOM 528 O LYS A 38 2.320 -15.216 0.233 1.00 0.00 O ATOM 529 CB LYS A 38 5.254 -15.867 -0.321 1.00 0.00 C ATOM 530 CG LYS A 38 6.464 -16.436 -1.041 1.00 0.00 C ATOM 531 CD LYS A 38 7.100 -17.570 -0.255 1.00 0.00 C ATOM 532 CE LYS A 38 7.879 -17.050 0.943 1.00 0.00 C ATOM 533 NZ LYS A 38 9.179 -16.447 0.540 1.00 0.00 N ATOM 0 H LYS A 38 3.782 -16.189 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 38 4.325 -17.774 0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.984 -14.915 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.522 -15.659 0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.166 -16.797 -2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.198 -15.646 -1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.326 -18.258 0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.766 -18.136 -0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.281 -16.306 1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.059 -17.867 1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.731 -16.213 1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.711 -17.125 -0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.005 -15.581 -0.009 1.00 0.00 H new ATOM 547 N LYS A 39 2.704 -16.894 1.681 1.00 0.00 N ATOM 548 CA LYS A 39 1.683 -16.459 2.627 1.00 0.00 C ATOM 549 C LYS A 39 2.302 -15.641 3.756 1.00 0.00 C ATOM 550 O LYS A 39 1.808 -14.567 4.100 1.00 0.00 O ATOM 551 CB LYS A 39 0.945 -17.668 3.204 1.00 0.00 C ATOM 552 CG LYS A 39 -0.465 -17.353 3.674 1.00 0.00 C ATOM 553 CD LYS A 39 -1.214 -18.613 4.075 1.00 0.00 C ATOM 554 CE LYS A 39 -0.971 -18.966 5.534 1.00 0.00 C ATOM 555 NZ LYS A 39 0.209 -19.858 5.700 1.00 0.00 N ATOM 0 H LYS A 39 3.207 -17.736 1.961 1.00 0.00 H new ATOM 0 HA LYS A 39 0.972 -15.829 2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.900 -18.451 2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.517 -18.067 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.423 -16.669 4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.009 -16.843 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.282 -18.472 3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.898 -19.442 3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.819 -18.052 6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.856 -19.455 5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.048 -20.501 6.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.349 -20.414 4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.056 -19.283 5.883 1.00 0.00 H new ATOM 569 N SER A 40 3.386 -16.155 4.328 1.00 0.00 N ATOM 570 CA SER A 40 4.071 -15.473 5.420 1.00 0.00 C ATOM 571 C SER A 40 5.522 -15.932 5.522 1.00 0.00 C ATOM 572 O SER A 40 5.908 -16.945 4.939 1.00 0.00 O ATOM 573 CB SER A 40 3.348 -15.731 6.743 1.00 0.00 C ATOM 574 OG SER A 40 3.296 -17.117 7.034 1.00 0.00 O ATOM 0 H SER A 40 3.809 -17.042 4.053 1.00 0.00 H new ATOM 0 HA SER A 40 4.061 -14.403 5.211 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.860 -15.206 7.549 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.336 -15.329 6.693 1.00 0.00 H new ATOM 0 HG SER A 40 2.831 -17.255 7.885 1.00 0.00 H new ATOM 580 N THR A 41 6.324 -15.177 6.267 1.00 0.00 N ATOM 581 CA THR A 41 7.733 -15.504 6.446 1.00 0.00 C ATOM 582 C THR A 41 7.947 -16.347 7.698 1.00 0.00 C ATOM 583 O THR A 41 8.540 -17.423 7.640 1.00 0.00 O ATOM 584 CB THR A 41 8.597 -14.233 6.543 1.00 0.00 C ATOM 585 OG1 THR A 41 8.205 -13.460 7.683 1.00 0.00 O ATOM 586 CG2 THR A 41 8.463 -13.390 5.283 1.00 0.00 C ATOM 0 H THR A 41 6.021 -14.335 6.756 1.00 0.00 H new ATOM 0 HA THR A 41 8.038 -16.076 5.570 1.00 0.00 H new ATOM 0 HB THR A 41 9.639 -14.536 6.650 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.760 -12.654 7.739 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.082 -12.498 5.375 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.789 -13.971 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.422 -13.097 5.150 1.00 0.00 H new ATOM 594 N GLY A 42 7.461 -15.849 8.831 1.00 0.00 N ATOM 595 CA GLY A 42 7.609 -16.570 10.082 1.00 0.00 C ATOM 596 C GLY A 42 7.353 -15.692 11.291 1.00 0.00 C ATOM 597 O GLY A 42 7.995 -15.853 12.330 1.00 0.00 O ATOM 0 H GLY A 42 6.968 -14.959 8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.918 -17.413 10.096 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.616 -16.983 10.143 1.00 0.00 H new ATOM 601 N ILE A 43 6.415 -14.761 11.156 1.00 0.00 N ATOM 602 CA ILE A 43 6.077 -13.854 12.247 1.00 0.00 C ATOM 603 C ILE A 43 4.569 -13.783 12.454 1.00 0.00 C ATOM 604 O ILE A 43 3.781 -13.898 11.515 1.00 0.00 O ATOM 605 CB ILE A 43 6.617 -12.435 11.986 1.00 0.00 C ATOM 606 CG1 ILE A 43 6.222 -11.966 10.585 1.00 0.00 C ATOM 607 CG2 ILE A 43 8.128 -12.404 12.155 1.00 0.00 C ATOM 608 CD1 ILE A 43 6.630 -10.539 10.288 1.00 0.00 C ATOM 0 H ILE A 43 5.876 -14.615 10.303 1.00 0.00 H new ATOM 0 HA ILE A 43 6.546 -14.252 13.147 1.00 0.00 H new ATOM 0 HB ILE A 43 6.176 -11.754 12.714 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.678 -12.627 9.847 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.142 -12.058 10.471 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.494 -11.395 11.967 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.387 -12.701 13.171 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.587 -13.094 11.448 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.318 -10.274 9.278 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.153 -9.868 11.003 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.713 -10.446 10.369 1.00 0.00 H new ATOM 620 N PRO A 44 4.154 -13.585 13.715 1.00 0.00 N ATOM 621 CA PRO A 44 2.736 -13.491 14.075 1.00 0.00 C ATOM 622 C PRO A 44 2.090 -12.210 13.558 1.00 0.00 C ATOM 623 O PRO A 44 1.039 -12.248 12.919 1.00 0.00 O ATOM 624 CB PRO A 44 2.758 -13.498 15.606 1.00 0.00 C ATOM 625 CG PRO A 44 4.104 -12.972 15.968 1.00 0.00 C ATOM 626 CD PRO A 44 5.036 -13.438 14.884 1.00 0.00 C ATOM 0 HA PRO A 44 2.150 -14.300 13.639 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.965 -12.873 16.016 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.607 -14.503 16.000 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.093 -11.884 16.032 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.420 -13.346 16.942 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.831 -12.715 14.699 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.517 -14.381 15.145 1.00 0.00 H new ATOM 634 N ARG A 45 2.726 -11.077 13.838 1.00 0.00 N ATOM 635 CA ARG A 45 2.213 -9.785 13.402 1.00 0.00 C ATOM 636 C ARG A 45 3.331 -8.748 13.339 1.00 0.00 C ATOM 637 O ARG A 45 4.001 -8.483 14.336 1.00 0.00 O ATOM 638 CB ARG A 45 1.110 -9.304 14.347 1.00 0.00 C ATOM 639 CG ARG A 45 1.528 -9.282 15.809 1.00 0.00 C ATOM 640 CD ARG A 45 0.364 -8.914 16.715 1.00 0.00 C ATOM 641 NE ARG A 45 0.792 -8.698 18.095 1.00 0.00 N ATOM 642 CZ ARG A 45 -0.001 -8.212 19.043 1.00 0.00 C ATOM 643 NH1 ARG A 45 -1.257 -7.893 18.762 1.00 0.00 N ATOM 644 NH2 ARG A 45 0.461 -8.045 20.276 1.00 0.00 N ATOM 0 H ARG A 45 3.598 -11.028 14.365 1.00 0.00 H new ATOM 0 HA ARG A 45 1.797 -9.907 12.402 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.801 -8.302 14.051 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.240 -9.951 14.236 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.916 -10.260 16.092 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.338 -8.566 15.946 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.117 -8.011 16.339 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.382 -9.708 16.687 1.00 0.00 H new ATOM 0 HE ARG A 45 1.753 -8.933 18.344 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.616 -8.021 17.816 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.864 -7.520 19.492 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.426 -8.290 20.496 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.149 -7.672 21.003 1.00 0.00 H new ATOM 658 N SER A 46 3.526 -8.167 12.160 1.00 0.00 N ATOM 659 CA SER A 46 4.566 -7.163 11.965 1.00 0.00 C ATOM 660 C SER A 46 4.005 -5.757 12.151 1.00 0.00 C ATOM 661 O SER A 46 4.454 -5.005 13.017 1.00 0.00 O ATOM 662 CB SER A 46 5.181 -7.299 10.571 1.00 0.00 C ATOM 663 OG SER A 46 6.426 -6.626 10.496 1.00 0.00 O ATOM 0 H SER A 46 2.978 -8.374 11.325 1.00 0.00 H new ATOM 0 HA SER A 46 5.341 -7.328 12.714 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.319 -8.354 10.332 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.497 -6.890 9.827 1.00 0.00 H new ATOM 0 HG SER A 46 6.800 -6.729 9.596 1.00 0.00 H new ATOM 669 N PHE A 47 3.019 -5.407 11.330 1.00 0.00 N ATOM 670 CA PHE A 47 2.396 -4.090 11.402 1.00 0.00 C ATOM 671 C PHE A 47 1.098 -4.146 12.202 1.00 0.00 C ATOM 672 O PHE A 47 0.796 -3.240 12.979 1.00 0.00 O ATOM 673 CB PHE A 47 2.119 -3.557 9.995 1.00 0.00 C ATOM 674 CG PHE A 47 3.338 -3.011 9.310 1.00 0.00 C ATOM 675 CD1 PHE A 47 4.261 -3.863 8.726 1.00 0.00 C ATOM 676 CD2 PHE A 47 3.562 -1.645 9.249 1.00 0.00 C ATOM 677 CE1 PHE A 47 5.385 -3.363 8.095 1.00 0.00 C ATOM 678 CE2 PHE A 47 4.684 -1.139 8.620 1.00 0.00 C ATOM 679 CZ PHE A 47 5.596 -1.999 8.041 1.00 0.00 C ATOM 0 H PHE A 47 2.635 -6.017 10.608 1.00 0.00 H new ATOM 0 HA PHE A 47 3.086 -3.416 11.909 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.699 -4.359 9.388 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.364 -2.773 10.054 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.101 -4.930 8.764 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.851 -0.967 9.698 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.097 -4.038 7.645 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.847 -0.072 8.581 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.472 -1.606 7.547 1.00 0.00 H new ATOM 689 N MET A 48 0.334 -5.216 12.005 1.00 0.00 N ATOM 690 CA MET A 48 -0.932 -5.390 12.709 1.00 0.00 C ATOM 691 C MET A 48 -0.783 -5.050 14.188 1.00 0.00 C ATOM 692 O MET A 48 -1.763 -4.744 14.866 1.00 0.00 O ATOM 693 CB MET A 48 -1.433 -6.827 12.551 1.00 0.00 C ATOM 694 CG MET A 48 -2.160 -7.077 11.239 1.00 0.00 C ATOM 695 SD MET A 48 -1.046 -7.098 9.822 1.00 0.00 S ATOM 696 CE MET A 48 -2.167 -6.636 8.503 1.00 0.00 C ATOM 0 H MET A 48 0.569 -5.975 11.365 1.00 0.00 H new ATOM 0 HA MET A 48 -1.661 -4.708 12.270 1.00 0.00 H new ATOM 0 HB2 MET A 48 -0.585 -7.508 12.623 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.102 -7.063 13.378 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.687 -8.029 11.296 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.914 -6.303 11.092 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.624 -6.605 7.558 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.971 -7.369 8.436 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.588 -5.653 8.711 1.00 0.00 H new ATOM 706 N MET A 49 0.450 -5.108 14.683 1.00 0.00 N ATOM 707 CA MET A 49 0.726 -4.805 16.082 1.00 0.00 C ATOM 708 C MET A 49 0.813 -3.298 16.306 1.00 0.00 C ATOM 709 O MET A 49 1.802 -2.664 15.938 1.00 0.00 O ATOM 710 CB MET A 49 2.029 -5.474 16.524 1.00 0.00 C ATOM 711 CG MET A 49 2.344 -5.277 17.997 1.00 0.00 C ATOM 712 SD MET A 49 4.101 -5.454 18.361 1.00 0.00 S ATOM 713 CE MET A 49 4.067 -6.792 19.552 1.00 0.00 C ATOM 0 H MET A 49 1.273 -5.362 14.136 1.00 0.00 H new ATOM 0 HA MET A 49 -0.096 -5.196 16.681 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.969 -6.542 16.313 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.852 -5.077 15.929 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.011 -4.286 18.307 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.780 -6.001 18.585 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.085 -7.126 19.753 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.610 -6.443 20.478 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.486 -7.622 19.150 1.00 0.00 H new ATOM 723 N GLU A 50 -0.227 -2.733 16.909 1.00 0.00 N ATOM 724 CA GLU A 50 -0.267 -1.300 17.180 1.00 0.00 C ATOM 725 C GLU A 50 -0.083 -1.022 18.669 1.00 0.00 C ATOM 726 O GLU A 50 -0.286 0.100 19.132 1.00 0.00 O ATOM 727 CB GLU A 50 -1.591 -0.704 16.698 1.00 0.00 C ATOM 728 CG GLU A 50 -2.799 -1.195 17.479 1.00 0.00 C ATOM 729 CD GLU A 50 -3.172 -2.625 17.139 1.00 0.00 C ATOM 730 OE1 GLU A 50 -3.773 -2.841 16.065 1.00 0.00 O ATOM 731 OE2 GLU A 50 -2.863 -3.527 17.945 1.00 0.00 O ATOM 0 H GLU A 50 -1.053 -3.244 17.219 1.00 0.00 H new ATOM 0 HA GLU A 50 0.553 -0.831 16.637 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.539 0.382 16.771 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.727 -0.947 15.644 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.591 -1.122 18.546 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.649 -0.543 17.274 1.00 0.00 H new ATOM 738 N VAL A 51 0.304 -2.053 19.414 1.00 0.00 N ATOM 739 CA VAL A 51 0.516 -1.921 20.850 1.00 0.00 C ATOM 740 C VAL A 51 1.729 -1.047 21.148 1.00 0.00 C ATOM 741 O VAL A 51 2.778 -1.184 20.517 1.00 0.00 O ATOM 742 CB VAL A 51 0.711 -3.296 21.517 1.00 0.00 C ATOM 743 CG1 VAL A 51 -0.605 -4.056 21.570 1.00 0.00 C ATOM 744 CG2 VAL A 51 1.772 -4.100 20.780 1.00 0.00 C ATOM 0 H VAL A 51 0.477 -2.989 19.046 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.377 -1.450 21.260 1.00 0.00 H new ATOM 0 HB VAL A 51 1.053 -3.139 22.540 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.447 -5.025 22.044 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.332 -3.484 22.146 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.980 -4.205 20.558 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.897 -5.068 21.265 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.462 -4.249 19.746 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.718 -3.559 20.801 1.00 0.00 H new ATOM 754 N LYS A 52 1.580 -0.148 22.115 1.00 0.00 N ATOM 755 CA LYS A 52 2.664 0.749 22.500 1.00 0.00 C ATOM 756 C LYS A 52 2.862 0.745 24.012 1.00 0.00 C ATOM 757 O LYS A 52 1.899 0.655 24.774 1.00 0.00 O ATOM 758 CB LYS A 52 2.371 2.172 22.017 1.00 0.00 C ATOM 759 CG LYS A 52 3.526 3.136 22.231 1.00 0.00 C ATOM 760 CD LYS A 52 3.059 4.581 22.195 1.00 0.00 C ATOM 761 CE LYS A 52 2.430 4.997 23.517 1.00 0.00 C ATOM 762 NZ LYS A 52 2.178 6.463 23.575 1.00 0.00 N ATOM 0 H LYS A 52 0.719 -0.021 22.647 1.00 0.00 H new ATOM 0 HA LYS A 52 3.581 0.394 22.030 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.124 2.143 20.956 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.492 2.550 22.538 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.000 2.930 23.190 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.281 2.977 21.461 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.904 5.232 21.972 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.336 4.711 21.390 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.491 4.461 23.657 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.086 4.709 24.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.749 6.706 24.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.077 6.974 23.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.531 6.735 22.807 1.00 0.00 H new ATOM 776 N ASP A 53 4.116 0.844 24.440 1.00 0.00 N ATOM 777 CA ASP A 53 4.440 0.854 25.862 1.00 0.00 C ATOM 778 C ASP A 53 5.403 1.991 26.191 1.00 0.00 C ATOM 779 O ASP A 53 6.495 2.093 25.633 1.00 0.00 O ATOM 780 CB ASP A 53 5.051 -0.485 26.277 1.00 0.00 C ATOM 781 CG ASP A 53 4.935 -0.737 27.767 1.00 0.00 C ATOM 782 OD1 ASP A 53 3.846 -0.492 28.328 1.00 0.00 O ATOM 783 OD2 ASP A 53 5.933 -1.180 28.373 1.00 0.00 O ATOM 0 H ASP A 53 4.925 0.918 23.823 1.00 0.00 H new ATOM 0 HA ASP A 53 3.517 1.011 26.419 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.555 -1.291 25.736 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.102 -0.507 25.989 1.00 0.00 H new ATOM 788 N PRO A 54 4.989 2.866 27.119 1.00 0.00 N ATOM 789 CA PRO A 54 5.800 4.011 27.544 1.00 0.00 C ATOM 790 C PRO A 54 7.025 3.589 28.347 1.00 0.00 C ATOM 791 O PRO A 54 7.966 4.363 28.516 1.00 0.00 O ATOM 792 CB PRO A 54 4.840 4.821 28.419 1.00 0.00 C ATOM 793 CG PRO A 54 3.854 3.823 28.922 1.00 0.00 C ATOM 794 CD PRO A 54 3.699 2.805 27.826 1.00 0.00 C ATOM 0 HA PRO A 54 6.196 4.567 26.694 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.367 5.306 29.241 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.350 5.608 27.846 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.206 3.356 29.842 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.900 4.298 29.151 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.507 1.810 28.226 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.867 3.049 27.166 1.00 0.00 H new ATOM 802 N ASN A 55 7.007 2.354 28.840 1.00 0.00 N ATOM 803 CA ASN A 55 8.117 1.829 29.626 1.00 0.00 C ATOM 804 C ASN A 55 8.650 0.535 29.018 1.00 0.00 C ATOM 805 O ASN A 55 8.070 0.040 28.053 1.00 0.00 O ATOM 806 CB ASN A 55 7.675 1.583 31.070 1.00 0.00 C ATOM 807 CG ASN A 55 8.644 0.695 31.828 1.00 0.00 C ATOM 808 OD1 ASN A 55 8.460 -0.615 31.713 1.00 0.00 O flip ATOM 809 ND2 ASN A 55 9.547 1.183 32.508 1.00 0.00 N flip ATOM 0 H ASN A 55 6.236 1.699 28.709 1.00 0.00 H new ATOM 0 HA ASN A 55 8.917 2.569 29.619 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.582 2.538 31.586 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.687 1.122 31.071 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.650 2.196 32.567 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.192 0.574 33.012 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -11.073 -10.853 -8.630 1.00 0.00 ZN