USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 607 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 61 GLN : amide:sc= -1.63 K(o=-14,f=-12) USER MOD Set 1.2: A 64 HIS : no HE2:sc= -12.5! C(o=-14!,f=-16!) USER MOD Set 2.1: A 31 LYS NZ :NH3+ -161:sc= 0.408 (180deg=0) USER MOD Set 2.2: A 33 THR OG1 : rot 128:sc= -1.96 USER MOD Set 3.1: A 27 ASN : amide:sc= -6.37! K(o=-6.5!,f=-3.4) USER MOD Set 3.2: A 38 LYS NZ :NH3+ -104:sc= -0.153 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.278 USER MOD Single : A 3 HIS : no HD1:sc= -2.38 K(o=-2.4,f=-1.6) USER MOD Single : A 4 MET CE :methyl -157:sc= -0.057 (180deg=-0.38) USER MOD Single : A 6 LYS NZ :NH3+ -152:sc= -0.0199 (180deg=-0.57) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.52 USER MOD Single : A 13 MET CE :methyl 170:sc= -2.3! (180deg=-2.57!) USER MOD Single : A 17 ASN : amide:sc= -1.99 K(o=-2,f=-2.9!) USER MOD Single : A 19 THR OG1 : rot 170:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 150:sc= -0.784 (180deg=-1.41!) USER MOD Single : A 37 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00098) USER MOD Single : A 42 MET CE :methyl -164:sc= -4.2! (180deg=-5.4!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.173) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0.0101 (180deg=0.00757) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= 2.13 (180deg=1.67) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -1.71! USER MOD Single : A 67 MET CE :methyl -168:sc= -6.8! (180deg=-7.47!) USER MOD Single : A 69 ASN : amide:sc= -5.86 K(o=-5.9,f=-5.2!) USER MOD Single : A 70 TYR OH : rot 180:sc=-0.00551 USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= -0.165 (180deg=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -0.331 -20.437 21.276 1.00 0.00 N ATOM 2 CA SER A 2 -0.834 -20.074 22.596 1.00 0.00 C ATOM 3 C SER A 2 -0.472 -18.632 22.938 1.00 0.00 C ATOM 4 O SER A 2 0.545 -18.373 23.580 1.00 0.00 O ATOM 5 CB SER A 2 -0.269 -21.019 23.657 1.00 0.00 C ATOM 6 OG SER A 2 -0.348 -22.370 23.233 1.00 0.00 O ATOM 0 HA SER A 2 -1.920 -20.163 22.581 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.769 -20.760 23.863 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.820 -20.895 24.589 1.00 0.00 H new ATOM 0 HG SER A 2 -0.340 -22.407 22.254 1.00 0.00 H new ATOM 12 N HIS A 3 -1.313 -17.698 22.504 1.00 0.00 N ATOM 13 CA HIS A 3 -1.082 -16.282 22.765 1.00 0.00 C ATOM 14 C HIS A 3 -2.357 -15.474 22.544 1.00 0.00 C ATOM 15 O HIS A 3 -3.058 -15.661 21.550 1.00 0.00 O ATOM 16 CB HIS A 3 0.035 -15.752 21.865 1.00 0.00 C ATOM 17 CG HIS A 3 1.410 -16.065 22.369 1.00 0.00 C ATOM 18 ND1 HIS A 3 2.430 -16.502 21.550 1.00 0.00 N ATOM 19 CD2 HIS A 3 1.932 -16.002 23.616 1.00 0.00 C ATOM 20 CE1 HIS A 3 3.520 -16.696 22.272 1.00 0.00 C ATOM 21 NE2 HIS A 3 3.243 -16.398 23.529 1.00 0.00 N ATOM 0 H HIS A 3 -2.160 -17.896 21.971 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.781 -16.174 23.807 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.082 -16.175 20.867 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.070 -14.671 21.768 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.413 -15.697 24.513 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.473 -17.039 21.899 1.00 0.00 H new ATOM 0 HE2 HIS A 3 3.898 -16.453 24.309 1.00 0.00 H new ATOM 30 N MET A 4 -2.651 -14.574 23.477 1.00 0.00 N ATOM 31 CA MET A 4 -3.841 -13.737 23.383 1.00 0.00 C ATOM 32 C MET A 4 -3.803 -12.876 22.123 1.00 0.00 C ATOM 33 O MET A 4 -2.745 -12.378 21.737 1.00 0.00 O ATOM 34 CB MET A 4 -3.962 -12.846 24.621 1.00 0.00 C ATOM 35 CG MET A 4 -2.789 -11.898 24.805 1.00 0.00 C ATOM 36 SD MET A 4 -1.589 -12.503 26.006 1.00 0.00 S ATOM 37 CE MET A 4 -2.518 -12.335 27.527 1.00 0.00 C ATOM 0 H MET A 4 -2.081 -14.406 24.306 1.00 0.00 H new ATOM 0 HA MET A 4 -4.712 -14.391 23.328 1.00 0.00 H new ATOM 0 HB2 MET A 4 -4.881 -12.264 24.551 1.00 0.00 H new ATOM 0 HB3 MET A 4 -4.051 -13.477 25.505 1.00 0.00 H new ATOM 0 HG2 MET A 4 -2.293 -11.749 23.846 1.00 0.00 H new ATOM 0 HG3 MET A 4 -3.160 -10.925 25.127 1.00 0.00 H new ATOM 0 HE1 MET A 4 -1.829 -12.269 28.369 1.00 0.00 H new ATOM 0 HE2 MET A 4 -3.126 -11.432 27.484 1.00 0.00 H new ATOM 0 HE3 MET A 4 -3.165 -13.203 27.656 1.00 0.00 H new ATOM 47 N PRO A 5 -4.962 -12.695 21.459 1.00 0.00 N ATOM 48 CA PRO A 5 -5.083 -11.903 20.235 1.00 0.00 C ATOM 49 C PRO A 5 -4.097 -10.742 20.125 1.00 0.00 C ATOM 50 O PRO A 5 -3.757 -10.078 21.105 1.00 0.00 O ATOM 51 CB PRO A 5 -6.532 -11.423 20.337 1.00 0.00 C ATOM 52 CG PRO A 5 -7.216 -12.654 20.822 1.00 0.00 C ATOM 53 CD PRO A 5 -6.276 -13.261 21.836 1.00 0.00 C ATOM 0 HA PRO A 5 -4.847 -12.477 19.339 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -6.641 -10.591 21.033 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.922 -11.088 19.376 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.180 -12.417 21.272 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.409 -13.345 20.002 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.554 -12.991 22.855 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.276 -14.350 21.784 1.00 0.00 H new ATOM 61 N LYS A 6 -3.684 -10.508 18.889 1.00 0.00 N ATOM 62 CA LYS A 6 -2.772 -9.433 18.521 1.00 0.00 C ATOM 63 C LYS A 6 -3.195 -8.958 17.142 1.00 0.00 C ATOM 64 O LYS A 6 -2.378 -8.682 16.263 1.00 0.00 O ATOM 65 CB LYS A 6 -1.323 -9.925 18.503 1.00 0.00 C ATOM 66 CG LYS A 6 -1.088 -11.090 17.555 1.00 0.00 C ATOM 67 CD LYS A 6 0.328 -11.081 17.002 1.00 0.00 C ATOM 68 CE LYS A 6 0.355 -11.494 15.538 1.00 0.00 C ATOM 69 NZ LYS A 6 -0.478 -12.702 15.287 1.00 0.00 N ATOM 0 H LYS A 6 -3.980 -11.074 18.094 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.818 -8.621 19.247 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.671 -9.099 18.219 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.037 -10.224 19.511 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.269 -12.029 18.078 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.801 -11.041 16.732 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.755 -10.084 17.108 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.952 -11.759 17.584 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.005 -10.670 14.922 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.383 -11.693 15.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.097 -13.223 14.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.464 -13.314 16.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.457 -12.413 15.086 1.00 0.00 H new ATOM 83 N ARG A 7 -4.511 -8.942 16.975 1.00 0.00 N ATOM 84 CA ARG A 7 -5.164 -8.591 15.726 1.00 0.00 C ATOM 85 C ARG A 7 -4.947 -7.132 15.306 1.00 0.00 C ATOM 86 O ARG A 7 -4.039 -6.449 15.781 1.00 0.00 O ATOM 87 CB ARG A 7 -6.673 -8.862 15.854 1.00 0.00 C ATOM 88 CG ARG A 7 -7.073 -9.986 16.827 1.00 0.00 C ATOM 89 CD ARG A 7 -7.965 -11.011 16.141 1.00 0.00 C ATOM 90 NE ARG A 7 -8.851 -10.392 15.153 1.00 0.00 N ATOM 91 CZ ARG A 7 -9.552 -11.079 14.253 1.00 0.00 C ATOM 92 NH1 ARG A 7 -9.477 -12.404 14.213 1.00 0.00 N ATOM 93 NH2 ARG A 7 -10.330 -10.440 13.391 1.00 0.00 N ATOM 0 H ARG A 7 -5.165 -9.178 17.721 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.712 -9.209 14.950 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.162 -7.941 16.172 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.064 -9.106 14.866 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.178 -10.476 17.210 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.595 -9.561 17.684 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.345 -11.762 15.652 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.563 -11.530 16.890 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.936 -9.376 15.154 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.880 -12.901 14.874 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.016 -12.925 13.521 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.392 -9.422 13.417 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.867 -10.966 12.702 1.00 0.00 H new ATOM 107 N ALA A 8 -5.837 -6.674 14.419 1.00 0.00 N ATOM 108 CA ALA A 8 -5.833 -5.306 13.909 1.00 0.00 C ATOM 109 C ALA A 8 -4.625 -4.992 13.031 1.00 0.00 C ATOM 110 O ALA A 8 -3.623 -5.707 13.036 1.00 0.00 O ATOM 111 CB ALA A 8 -5.939 -4.327 15.059 1.00 0.00 C ATOM 0 H ALA A 8 -6.585 -7.250 14.034 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.704 -5.203 13.262 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.935 -3.308 14.671 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.866 -4.505 15.604 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.092 -4.462 15.731 1.00 0.00 H new ATOM 117 N THR A 9 -4.771 -3.928 12.244 1.00 0.00 N ATOM 118 CA THR A 9 -3.751 -3.490 11.295 1.00 0.00 C ATOM 119 C THR A 9 -3.126 -2.145 11.686 1.00 0.00 C ATOM 120 O THR A 9 -3.834 -1.211 12.053 1.00 0.00 O ATOM 121 CB THR A 9 -4.411 -3.357 9.926 1.00 0.00 C ATOM 122 OG1 THR A 9 -5.545 -4.201 9.830 1.00 0.00 O ATOM 123 CG2 THR A 9 -3.497 -3.697 8.786 1.00 0.00 C ATOM 0 H THR A 9 -5.606 -3.342 12.247 1.00 0.00 H new ATOM 0 HA THR A 9 -2.948 -4.227 11.287 1.00 0.00 H new ATOM 0 HB THR A 9 -4.690 -2.306 9.845 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.954 -4.099 8.945 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.032 -3.581 7.844 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.635 -3.030 8.799 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.159 -4.728 8.886 1.00 0.00 H new ATOM 131 N THR A 10 -1.798 -2.049 11.588 1.00 0.00 N ATOM 132 CA THR A 10 -1.081 -0.819 11.912 1.00 0.00 C ATOM 133 C THR A 10 -1.354 0.231 10.865 1.00 0.00 C ATOM 134 O THR A 10 -1.622 -0.094 9.709 1.00 0.00 O ATOM 135 CB THR A 10 0.422 -1.090 11.997 1.00 0.00 C ATOM 136 OG1 THR A 10 0.859 -1.844 10.880 1.00 0.00 O ATOM 137 CG2 THR A 10 0.825 -1.842 13.247 1.00 0.00 C ATOM 0 H THR A 10 -1.197 -2.815 11.285 1.00 0.00 H new ATOM 0 HA THR A 10 -1.430 -0.456 12.879 1.00 0.00 H new ATOM 0 HB THR A 10 0.893 -0.107 12.018 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.823 -2.006 10.951 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.903 -2.001 13.244 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.546 -1.262 14.127 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.316 -2.806 13.272 1.00 0.00 H new ATOM 145 N ALA A 11 -1.262 1.495 11.261 1.00 0.00 N ATOM 146 CA ALA A 11 -1.473 2.578 10.333 1.00 0.00 C ATOM 147 C ALA A 11 -0.697 2.289 9.064 1.00 0.00 C ATOM 148 O ALA A 11 -1.196 2.454 7.956 1.00 0.00 O ATOM 149 CB ALA A 11 -1.032 3.884 10.960 1.00 0.00 C ATOM 0 H ALA A 11 -1.044 1.785 12.214 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.531 2.667 10.088 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.194 4.699 10.255 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.611 4.067 11.865 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.027 3.827 11.212 1.00 0.00 H new ATOM 155 N PHE A 12 0.544 1.873 9.237 1.00 0.00 N ATOM 156 CA PHE A 12 1.412 1.571 8.108 1.00 0.00 C ATOM 157 C PHE A 12 0.891 0.391 7.300 1.00 0.00 C ATOM 158 O PHE A 12 1.058 0.331 6.084 1.00 0.00 O ATOM 159 CB PHE A 12 2.811 1.243 8.625 1.00 0.00 C ATOM 160 CG PHE A 12 3.893 1.291 7.578 1.00 0.00 C ATOM 161 CD1 PHE A 12 3.722 1.991 6.391 1.00 0.00 C ATOM 162 CD2 PHE A 12 5.089 0.622 7.786 1.00 0.00 C ATOM 163 CE1 PHE A 12 4.722 2.020 5.440 1.00 0.00 C ATOM 164 CE2 PHE A 12 6.092 0.650 6.837 1.00 0.00 C ATOM 165 CZ PHE A 12 5.908 1.349 5.663 1.00 0.00 C ATOM 0 H PHE A 12 0.977 1.735 10.150 1.00 0.00 H new ATOM 0 HA PHE A 12 1.437 2.445 7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.063 1.943 9.422 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.796 0.247 9.068 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.797 2.518 6.210 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.239 0.071 8.703 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.577 2.568 4.521 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.019 0.125 7.014 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.690 1.372 4.919 1.00 0.00 H new ATOM 175 N MET A 13 0.291 -0.562 7.990 1.00 0.00 N ATOM 176 CA MET A 13 -0.217 -1.748 7.344 1.00 0.00 C ATOM 177 C MET A 13 -1.524 -1.452 6.638 1.00 0.00 C ATOM 178 O MET A 13 -1.641 -1.637 5.429 1.00 0.00 O ATOM 179 CB MET A 13 -0.405 -2.867 8.370 1.00 0.00 C ATOM 180 CG MET A 13 0.867 -3.648 8.657 1.00 0.00 C ATOM 181 SD MET A 13 0.930 -5.223 7.779 1.00 0.00 S ATOM 182 CE MET A 13 0.113 -4.790 6.245 1.00 0.00 C ATOM 0 H MET A 13 0.146 -0.533 8.999 1.00 0.00 H new ATOM 0 HA MET A 13 0.508 -2.075 6.598 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.775 -2.437 9.301 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.170 -3.554 8.010 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.730 -3.045 8.375 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.942 -3.831 9.729 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.229 -5.603 5.529 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.947 -4.621 6.433 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.559 -3.882 5.839 1.00 0.00 H new ATOM 192 N LEU A 14 -2.517 -1.030 7.405 1.00 0.00 N ATOM 193 CA LEU A 14 -3.833 -0.753 6.865 1.00 0.00 C ATOM 194 C LEU A 14 -3.808 0.177 5.652 1.00 0.00 C ATOM 195 O LEU A 14 -4.739 0.175 4.845 1.00 0.00 O ATOM 196 CB LEU A 14 -4.747 -0.217 7.976 1.00 0.00 C ATOM 197 CG LEU A 14 -4.856 1.310 8.154 1.00 0.00 C ATOM 198 CD1 LEU A 14 -4.953 1.643 9.614 1.00 0.00 C ATOM 199 CD2 LEU A 14 -3.682 2.060 7.575 1.00 0.00 C ATOM 0 H LEU A 14 -2.432 -0.872 8.409 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.237 -1.694 6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.750 -0.604 7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.405 -0.639 8.921 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.751 1.620 7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.030 2.723 9.736 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.837 1.166 10.038 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.063 1.282 10.129 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.820 3.130 7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.765 1.736 8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.612 1.857 6.506 1.00 0.00 H new ATOM 211 N TRP A 15 -2.747 0.965 5.518 1.00 0.00 N ATOM 212 CA TRP A 15 -2.628 1.877 4.397 1.00 0.00 C ATOM 213 C TRP A 15 -1.852 1.182 3.321 1.00 0.00 C ATOM 214 O TRP A 15 -2.233 1.186 2.155 1.00 0.00 O ATOM 215 CB TRP A 15 -1.921 3.176 4.790 1.00 0.00 C ATOM 216 CG TRP A 15 -1.062 3.732 3.688 1.00 0.00 C ATOM 217 CD1 TRP A 15 -1.400 4.698 2.786 1.00 0.00 C ATOM 218 CD2 TRP A 15 0.275 3.333 3.365 1.00 0.00 C ATOM 219 NE1 TRP A 15 -0.354 4.923 1.922 1.00 0.00 N ATOM 220 CE2 TRP A 15 0.686 4.097 2.257 1.00 0.00 C ATOM 221 CE3 TRP A 15 1.166 2.405 3.904 1.00 0.00 C ATOM 222 CZ2 TRP A 15 1.955 3.946 1.690 1.00 0.00 C ATOM 223 CZ3 TRP A 15 2.410 2.271 3.327 1.00 0.00 C ATOM 224 CH2 TRP A 15 2.780 3.033 2.244 1.00 0.00 C ATOM 0 H TRP A 15 -1.963 0.988 6.170 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.625 2.148 4.051 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.667 3.919 5.072 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.303 2.995 5.669 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.350 5.211 2.755 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.353 5.596 1.156 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.886 1.804 4.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 2.263 4.538 0.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.108 1.554 3.733 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.765 2.896 1.822 1.00 0.00 H new ATOM 235 N LEU A 16 -0.779 0.531 3.738 1.00 0.00 N ATOM 236 CA LEU A 16 0.020 -0.219 2.809 1.00 0.00 C ATOM 237 C LEU A 16 -0.834 -1.319 2.240 1.00 0.00 C ATOM 238 O LEU A 16 -0.530 -1.883 1.216 1.00 0.00 O ATOM 239 CB LEU A 16 1.250 -0.830 3.467 1.00 0.00 C ATOM 240 CG LEU A 16 2.159 -1.551 2.478 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.736 -0.553 1.502 1.00 0.00 C ATOM 242 CD2 LEU A 16 3.274 -2.296 3.195 1.00 0.00 C ATOM 0 H LEU A 16 -0.451 0.512 4.704 1.00 0.00 H new ATOM 0 HA LEU A 16 0.371 0.459 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.817 -0.044 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.932 -1.532 4.238 1.00 0.00 H new ATOM 0 HG LEU A 16 1.565 -2.287 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.386 -1.069 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.926 -0.064 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.313 0.195 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.905 -2.800 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.875 -1.589 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.842 -3.034 3.871 1.00 0.00 H new ATOM 254 N ASN A 17 -1.921 -1.619 2.908 1.00 0.00 N ATOM 255 CA ASN A 17 -2.825 -2.642 2.474 1.00 0.00 C ATOM 256 C ASN A 17 -3.614 -2.169 1.256 1.00 0.00 C ATOM 257 O ASN A 17 -3.553 -2.747 0.140 1.00 0.00 O ATOM 258 CB ASN A 17 -3.786 -2.913 3.658 1.00 0.00 C ATOM 259 CG ASN A 17 -3.793 -4.359 4.099 1.00 0.00 C ATOM 260 OD1 ASN A 17 -3.928 -5.274 3.287 1.00 0.00 O ATOM 261 ND2 ASN A 17 -3.646 -4.567 5.403 1.00 0.00 N ATOM 0 H ASN A 17 -2.200 -1.155 3.772 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.286 -3.545 2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.500 -2.284 4.501 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.797 -2.622 3.371 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.642 -5.519 5.770 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.537 -3.775 6.037 1.00 0.00 H new ATOM 268 N ASP A 18 -4.266 -1.040 1.472 1.00 0.00 N ATOM 269 CA ASP A 18 -5.053 -0.398 0.452 1.00 0.00 C ATOM 270 C ASP A 18 -4.181 0.266 -0.579 1.00 0.00 C ATOM 271 O ASP A 18 -4.587 0.430 -1.729 1.00 0.00 O ATOM 272 CB ASP A 18 -6.001 0.627 1.076 1.00 0.00 C ATOM 273 CG ASP A 18 -7.217 -0.020 1.709 1.00 0.00 C ATOM 274 OD1 ASP A 18 -8.189 -0.298 0.977 1.00 0.00 O ATOM 275 OD2 ASP A 18 -7.197 -0.247 2.937 1.00 0.00 O ATOM 0 H ASP A 18 -4.260 -0.547 2.365 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.640 -1.169 -0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.464 1.202 1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.325 1.331 0.310 1.00 0.00 H new ATOM 280 N THR A 19 -2.990 0.676 -0.177 1.00 0.00 N ATOM 281 CA THR A 19 -2.085 1.343 -1.079 1.00 0.00 C ATOM 282 C THR A 19 -0.984 0.424 -1.577 1.00 0.00 C ATOM 283 O THR A 19 -0.468 0.653 -2.656 1.00 0.00 O ATOM 284 CB THR A 19 -1.497 2.547 -0.372 1.00 0.00 C ATOM 285 OG1 THR A 19 -1.953 3.754 -0.956 1.00 0.00 O ATOM 286 CG2 THR A 19 0.015 2.588 -0.342 1.00 0.00 C ATOM 0 H THR A 19 -2.633 0.555 0.771 1.00 0.00 H new ATOM 0 HA THR A 19 -2.644 1.658 -1.960 1.00 0.00 H new ATOM 0 HB THR A 19 -1.843 2.446 0.657 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.690 4.511 -0.391 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.344 3.484 0.184 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.393 1.705 0.174 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.399 2.604 -1.362 1.00 0.00 H new ATOM 294 N ARG A 20 -0.630 -0.628 -0.823 1.00 0.00 N ATOM 295 CA ARG A 20 0.410 -1.541 -1.303 1.00 0.00 C ATOM 296 C ARG A 20 -0.040 -2.055 -2.625 1.00 0.00 C ATOM 297 O ARG A 20 0.748 -2.217 -3.557 1.00 0.00 O ATOM 298 CB ARG A 20 0.683 -2.724 -0.372 1.00 0.00 C ATOM 299 CG ARG A 20 -0.293 -3.878 -0.525 1.00 0.00 C ATOM 300 CD ARG A 20 0.280 -5.154 0.061 1.00 0.00 C ATOM 301 NE ARG A 20 -0.540 -5.677 1.150 1.00 0.00 N ATOM 302 CZ ARG A 20 -1.636 -6.410 0.969 1.00 0.00 C ATOM 303 NH1 ARG A 20 -2.053 -6.703 -0.257 1.00 0.00 N ATOM 304 NH2 ARG A 20 -2.318 -6.851 2.016 1.00 0.00 N ATOM 0 H ARG A 20 -1.032 -0.860 0.086 1.00 0.00 H new ATOM 0 HA ARG A 20 1.346 -0.985 -1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.693 -3.091 -0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.654 -2.374 0.660 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.231 -3.634 -0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.522 -4.028 -1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.363 -5.907 -0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.289 -4.963 0.427 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.256 -5.468 2.107 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.533 -6.366 -1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.894 -7.265 -0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.003 -6.629 2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.158 -7.413 1.878 1.00 0.00 H new ATOM 318 N GLU A 21 -1.346 -2.248 -2.721 1.00 0.00 N ATOM 319 CA GLU A 21 -1.896 -2.678 -3.996 1.00 0.00 C ATOM 320 C GLU A 21 -1.553 -1.592 -5.016 1.00 0.00 C ATOM 321 O GLU A 21 -1.180 -1.861 -6.161 1.00 0.00 O ATOM 322 CB GLU A 21 -3.412 -2.894 -3.906 1.00 0.00 C ATOM 323 CG GLU A 21 -4.211 -1.606 -3.799 1.00 0.00 C ATOM 324 CD GLU A 21 -5.644 -1.842 -3.361 1.00 0.00 C ATOM 325 OE1 GLU A 21 -5.843 -2.427 -2.275 1.00 0.00 O ATOM 326 OE2 GLU A 21 -6.564 -1.443 -4.103 1.00 0.00 O ATOM 0 H GLU A 21 -2.020 -2.121 -1.966 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.469 -3.636 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.744 -3.444 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.630 -3.518 -3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.723 -0.938 -3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.209 -1.100 -4.765 1.00 0.00 H new ATOM 333 N SER A 22 -1.705 -0.354 -4.552 1.00 0.00 N ATOM 334 CA SER A 22 -1.447 0.822 -5.366 1.00 0.00 C ATOM 335 C SER A 22 0.040 0.976 -5.682 1.00 0.00 C ATOM 336 O SER A 22 0.418 1.712 -6.593 1.00 0.00 O ATOM 337 CB SER A 22 -1.961 2.078 -4.662 1.00 0.00 C ATOM 338 OG SER A 22 -2.601 2.951 -5.577 1.00 0.00 O ATOM 0 H SER A 22 -2.010 -0.142 -3.602 1.00 0.00 H new ATOM 0 HA SER A 22 -1.979 0.691 -6.308 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.660 1.797 -3.874 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.130 2.595 -4.182 1.00 0.00 H new ATOM 0 HG SER A 22 -2.922 3.745 -5.101 1.00 0.00 H new ATOM 344 N ILE A 23 0.875 0.298 -4.909 1.00 0.00 N ATOM 345 CA ILE A 23 2.316 0.380 -5.091 1.00 0.00 C ATOM 346 C ILE A 23 2.791 -0.547 -6.183 1.00 0.00 C ATOM 347 O ILE A 23 3.613 -0.164 -7.016 1.00 0.00 O ATOM 348 CB ILE A 23 3.066 0.032 -3.803 1.00 0.00 C ATOM 349 CG1 ILE A 23 2.435 0.772 -2.635 1.00 0.00 C ATOM 350 CG2 ILE A 23 4.543 0.375 -3.943 1.00 0.00 C ATOM 351 CD1 ILE A 23 3.205 0.673 -1.335 1.00 0.00 C ATOM 0 H ILE A 23 0.579 -0.315 -4.150 1.00 0.00 H new ATOM 0 HA ILE A 23 2.529 1.412 -5.370 1.00 0.00 H new ATOM 0 HB ILE A 23 2.992 -1.039 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.332 1.824 -2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.429 0.383 -2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.064 0.122 -3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.972 -0.193 -4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.652 1.441 -4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.681 1.230 -0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.286 -0.373 -1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.203 1.090 -1.470 1.00 0.00 H new ATOM 363 N LYS A 24 2.287 -1.771 -6.178 1.00 0.00 N ATOM 364 CA LYS A 24 2.702 -2.719 -7.184 1.00 0.00 C ATOM 365 C LYS A 24 2.243 -2.259 -8.562 1.00 0.00 C ATOM 366 O LYS A 24 2.923 -2.491 -9.559 1.00 0.00 O ATOM 367 CB LYS A 24 2.200 -4.126 -6.877 1.00 0.00 C ATOM 368 CG LYS A 24 3.270 -5.193 -7.053 1.00 0.00 C ATOM 369 CD LYS A 24 3.993 -5.485 -5.747 1.00 0.00 C ATOM 370 CE LYS A 24 3.850 -6.945 -5.341 1.00 0.00 C ATOM 371 NZ LYS A 24 5.171 -7.624 -5.231 1.00 0.00 N ATOM 0 H LYS A 24 1.606 -2.120 -5.503 1.00 0.00 H new ATOM 0 HA LYS A 24 3.791 -2.762 -7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.829 -4.157 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.357 -4.355 -7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.813 -6.108 -7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.990 -4.866 -7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.049 -5.238 -5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.593 -4.847 -4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.330 -7.006 -4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.234 -7.467 -6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.116 -8.376 -4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.425 -8.040 -6.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.895 -6.932 -4.952 1.00 0.00 H new ATOM 385 N ARG A 25 1.109 -1.563 -8.611 1.00 0.00 N ATOM 386 CA ARG A 25 0.614 -1.028 -9.876 1.00 0.00 C ATOM 387 C ARG A 25 1.536 0.110 -10.303 1.00 0.00 C ATOM 388 O ARG A 25 1.884 0.256 -11.474 1.00 0.00 O ATOM 389 CB ARG A 25 -0.823 -0.523 -9.727 1.00 0.00 C ATOM 390 CG ARG A 25 -1.869 -1.621 -9.844 1.00 0.00 C ATOM 391 CD ARG A 25 -3.004 -1.419 -8.855 1.00 0.00 C ATOM 392 NE ARG A 25 -3.735 -0.179 -9.106 1.00 0.00 N ATOM 393 CZ ARG A 25 -4.934 0.091 -8.596 1.00 0.00 C ATOM 394 NH1 ARG A 25 -5.541 -0.788 -7.807 1.00 0.00 N ATOM 395 NH2 ARG A 25 -5.529 1.242 -8.875 1.00 0.00 N ATOM 0 H ARG A 25 0.523 -1.359 -7.801 1.00 0.00 H new ATOM 0 HA ARG A 25 0.609 -1.813 -10.632 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.929 -0.034 -8.759 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.015 0.233 -10.489 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.268 -1.638 -10.858 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.401 -2.590 -9.669 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.691 -2.263 -8.914 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.603 -1.405 -7.841 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.301 0.521 -9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.088 -1.676 -7.589 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.460 -0.576 -7.419 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.068 1.921 -9.481 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.448 1.449 -8.484 1.00 0.00 H new ATOM 409 N GLU A 26 1.942 0.892 -9.306 1.00 0.00 N ATOM 410 CA GLU A 26 2.850 2.009 -9.508 1.00 0.00 C ATOM 411 C GLU A 26 4.209 1.484 -9.953 1.00 0.00 C ATOM 412 O GLU A 26 5.046 2.232 -10.455 1.00 0.00 O ATOM 413 CB GLU A 26 2.993 2.823 -8.221 1.00 0.00 C ATOM 414 CG GLU A 26 1.785 3.695 -7.916 1.00 0.00 C ATOM 415 CD GLU A 26 1.942 5.110 -8.434 1.00 0.00 C ATOM 416 OE1 GLU A 26 2.746 5.870 -7.855 1.00 0.00 O ATOM 417 OE2 GLU A 26 1.259 5.460 -9.421 1.00 0.00 O ATOM 0 H GLU A 26 1.649 0.766 -8.337 1.00 0.00 H new ATOM 0 HA GLU A 26 2.445 2.662 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.159 2.142 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.877 3.455 -8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.896 3.246 -8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.624 3.722 -6.838 1.00 0.00 H new ATOM 424 N ASN A 27 4.404 0.176 -9.782 1.00 0.00 N ATOM 425 CA ASN A 27 5.632 -0.477 -10.179 1.00 0.00 C ATOM 426 C ASN A 27 5.375 -1.962 -10.415 1.00 0.00 C ATOM 427 O ASN A 27 5.651 -2.795 -9.552 1.00 0.00 O ATOM 428 CB ASN A 27 6.719 -0.277 -9.123 1.00 0.00 C ATOM 429 CG ASN A 27 7.006 1.188 -8.860 1.00 0.00 C ATOM 430 OD1 ASN A 27 7.925 1.766 -9.441 1.00 0.00 O ATOM 431 ND2 ASN A 27 6.222 1.796 -7.979 1.00 0.00 N ATOM 0 H ASN A 27 3.714 -0.449 -9.366 1.00 0.00 H new ATOM 0 HA ASN A 27 5.983 -0.029 -11.108 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.412 -0.757 -8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.634 -0.771 -9.449 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.369 2.781 -7.760 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.472 1.278 -7.521 1.00 0.00 H new ATOM 438 N PRO A 28 4.817 -2.309 -11.592 1.00 0.00 N ATOM 439 CA PRO A 28 4.493 -3.699 -11.943 1.00 0.00 C ATOM 440 C PRO A 28 5.729 -4.554 -12.196 1.00 0.00 C ATOM 441 O PRO A 28 5.819 -5.251 -13.207 1.00 0.00 O ATOM 442 CB PRO A 28 3.670 -3.559 -13.226 1.00 0.00 C ATOM 443 CG PRO A 28 4.121 -2.272 -13.823 1.00 0.00 C ATOM 444 CD PRO A 28 4.441 -1.369 -12.665 1.00 0.00 C ATOM 0 HA PRO A 28 3.969 -4.204 -11.131 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.847 -4.394 -13.904 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.601 -3.544 -13.012 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.996 -2.421 -14.456 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.343 -1.839 -14.452 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.255 -0.684 -12.903 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.583 -0.759 -12.382 1.00 0.00 H new ATOM 452 N GLY A 29 6.679 -4.503 -11.271 1.00 0.00 N ATOM 453 CA GLY A 29 7.891 -5.281 -11.410 1.00 0.00 C ATOM 454 C GLY A 29 8.749 -5.261 -10.159 1.00 0.00 C ATOM 455 O GLY A 29 9.912 -5.665 -10.197 1.00 0.00 O ATOM 0 H GLY A 29 6.630 -3.935 -10.425 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.630 -6.312 -11.650 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.471 -4.896 -12.249 1.00 0.00 H new ATOM 459 N ILE A 30 8.186 -4.790 -9.046 1.00 0.00 N ATOM 460 CA ILE A 30 8.923 -4.728 -7.805 1.00 0.00 C ATOM 461 C ILE A 30 8.883 -6.061 -7.077 1.00 0.00 C ATOM 462 O ILE A 30 8.832 -7.124 -7.695 1.00 0.00 O ATOM 463 CB ILE A 30 8.397 -3.598 -6.885 1.00 0.00 C ATOM 464 CG1 ILE A 30 7.049 -3.958 -6.234 1.00 0.00 C ATOM 465 CG2 ILE A 30 8.266 -2.322 -7.678 1.00 0.00 C ATOM 466 CD1 ILE A 30 6.424 -2.812 -5.460 1.00 0.00 C ATOM 0 H ILE A 30 7.226 -4.450 -8.988 1.00 0.00 H new ATOM 0 HA ILE A 30 9.959 -4.502 -8.058 1.00 0.00 H new ATOM 0 HB ILE A 30 9.118 -3.462 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.355 -4.283 -7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.194 -4.804 -5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.896 -1.527 -7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.240 -2.040 -8.078 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.567 -2.475 -8.500 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.477 -3.138 -5.029 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.098 -2.501 -4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.247 -1.973 -6.132 1.00 0.00 H new ATOM 478 N LYS A 31 8.923 -5.989 -5.764 1.00 0.00 N ATOM 479 CA LYS A 31 8.912 -7.145 -4.925 1.00 0.00 C ATOM 480 C LYS A 31 8.188 -6.835 -3.638 1.00 0.00 C ATOM 481 O LYS A 31 8.222 -5.717 -3.131 1.00 0.00 O ATOM 482 CB LYS A 31 10.349 -7.575 -4.655 1.00 0.00 C ATOM 483 CG LYS A 31 11.092 -6.667 -3.687 1.00 0.00 C ATOM 484 CD LYS A 31 12.532 -7.118 -3.489 1.00 0.00 C ATOM 485 CE LYS A 31 12.609 -8.553 -2.991 1.00 0.00 C ATOM 486 NZ LYS A 31 13.475 -8.677 -1.787 1.00 0.00 N ATOM 0 H LYS A 31 8.965 -5.108 -5.252 1.00 0.00 H new ATOM 0 HA LYS A 31 8.387 -7.962 -5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.346 -8.590 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.892 -7.605 -5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.079 -5.644 -4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.577 -6.659 -2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.074 -7.030 -4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.025 -6.458 -2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.606 -8.910 -2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.996 -9.192 -3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.764 -9.669 -1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.320 -8.082 -1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.947 -8.367 -0.946 1.00 0.00 H new ATOM 500 N VAL A 32 7.548 -7.853 -3.126 1.00 0.00 N ATOM 501 CA VAL A 32 6.802 -7.792 -1.883 1.00 0.00 C ATOM 502 C VAL A 32 7.433 -6.836 -0.866 1.00 0.00 C ATOM 503 O VAL A 32 6.738 -6.176 -0.095 1.00 0.00 O ATOM 504 CB VAL A 32 6.745 -9.210 -1.280 1.00 0.00 C ATOM 505 CG1 VAL A 32 7.628 -10.164 -2.073 1.00 0.00 C ATOM 506 CG2 VAL A 32 7.163 -9.210 0.176 1.00 0.00 C ATOM 0 H VAL A 32 7.526 -8.772 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 32 5.804 -7.413 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 32 5.711 -9.550 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.575 -11.160 -1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.283 -10.205 -3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.659 -9.811 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.111 -10.225 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.185 -8.839 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.494 -8.565 0.746 1.00 0.00 H new ATOM 516 N THR A 33 8.757 -6.814 -0.850 1.00 0.00 N ATOM 517 CA THR A 33 9.512 -5.989 0.101 1.00 0.00 C ATOM 518 C THR A 33 9.725 -4.555 -0.390 1.00 0.00 C ATOM 519 O THR A 33 9.930 -3.641 0.418 1.00 0.00 O ATOM 520 CB THR A 33 10.865 -6.635 0.407 1.00 0.00 C ATOM 521 OG1 THR A 33 11.529 -7.007 -0.788 1.00 0.00 O ATOM 522 CG2 THR A 33 10.755 -7.869 1.277 1.00 0.00 C ATOM 0 H THR A 33 9.340 -7.359 -1.486 1.00 0.00 H new ATOM 0 HA THR A 33 8.911 -5.933 1.009 1.00 0.00 H new ATOM 0 HB THR A 33 11.430 -5.877 0.949 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.437 -6.637 -0.787 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.749 -8.278 1.456 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.295 -7.603 2.229 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.141 -8.616 0.773 1.00 0.00 H new ATOM 530 N GLU A 34 9.639 -4.339 -1.694 1.00 0.00 N ATOM 531 CA GLU A 34 9.793 -2.999 -2.235 1.00 0.00 C ATOM 532 C GLU A 34 8.552 -2.188 -1.910 1.00 0.00 C ATOM 533 O GLU A 34 8.620 -0.987 -1.690 1.00 0.00 O ATOM 534 CB GLU A 34 10.018 -3.046 -3.750 1.00 0.00 C ATOM 535 CG GLU A 34 9.615 -1.769 -4.480 1.00 0.00 C ATOM 536 CD GLU A 34 10.638 -1.339 -5.513 1.00 0.00 C ATOM 537 OE1 GLU A 34 11.834 -1.643 -5.328 1.00 0.00 O ATOM 538 OE2 GLU A 34 10.241 -0.696 -6.508 1.00 0.00 O ATOM 0 H GLU A 34 9.466 -5.065 -2.389 1.00 0.00 H new ATOM 0 HA GLU A 34 10.666 -2.529 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.072 -3.245 -3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.454 -3.882 -4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.653 -1.923 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.479 -0.968 -3.754 1.00 0.00 H new ATOM 545 N ILE A 35 7.415 -2.865 -1.893 1.00 0.00 N ATOM 546 CA ILE A 35 6.153 -2.226 -1.602 1.00 0.00 C ATOM 547 C ILE A 35 6.180 -1.659 -0.201 1.00 0.00 C ATOM 548 O ILE A 35 5.735 -0.537 0.050 1.00 0.00 O ATOM 549 CB ILE A 35 4.988 -3.228 -1.696 1.00 0.00 C ATOM 550 CG1 ILE A 35 5.057 -4.037 -2.990 1.00 0.00 C ATOM 551 CG2 ILE A 35 3.667 -2.500 -1.601 1.00 0.00 C ATOM 552 CD1 ILE A 35 4.608 -5.470 -2.818 1.00 0.00 C ATOM 0 H ILE A 35 7.346 -3.865 -2.080 1.00 0.00 H new ATOM 0 HA ILE A 35 6.004 -1.433 -2.335 1.00 0.00 H new ATOM 0 HB ILE A 35 5.071 -3.924 -0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.436 -3.556 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.081 -4.026 -3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.850 -3.218 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.609 -1.974 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.588 -1.782 -2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.681 -5.991 -3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.245 -5.965 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.574 -5.488 -2.472 1.00 0.00 H new ATOM 564 N ALA A 36 6.701 -2.463 0.711 1.00 0.00 N ATOM 565 CA ALA A 36 6.780 -2.081 2.100 1.00 0.00 C ATOM 566 C ALA A 36 7.760 -0.936 2.335 1.00 0.00 C ATOM 567 O ALA A 36 7.632 -0.200 3.313 1.00 0.00 O ATOM 568 CB ALA A 36 7.153 -3.281 2.957 1.00 0.00 C ATOM 0 H ALA A 36 7.076 -3.389 0.506 1.00 0.00 H new ATOM 0 HA ALA A 36 5.793 -1.722 2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.209 -2.978 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.397 -4.058 2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.121 -3.668 2.639 1.00 0.00 H new ATOM 574 N LYS A 37 8.749 -0.793 1.457 1.00 0.00 N ATOM 575 CA LYS A 37 9.749 0.260 1.616 1.00 0.00 C ATOM 576 C LYS A 37 9.361 1.530 0.866 1.00 0.00 C ATOM 577 O LYS A 37 9.352 2.627 1.441 1.00 0.00 O ATOM 578 CB LYS A 37 11.112 -0.234 1.128 1.00 0.00 C ATOM 579 CG LYS A 37 12.225 0.787 1.297 1.00 0.00 C ATOM 580 CD LYS A 37 13.168 0.788 0.104 1.00 0.00 C ATOM 581 CE LYS A 37 14.470 0.069 0.421 1.00 0.00 C ATOM 582 NZ LYS A 37 14.255 -1.380 0.680 1.00 0.00 N ATOM 0 H LYS A 37 8.880 -1.385 0.637 1.00 0.00 H new ATOM 0 HA LYS A 37 9.804 0.503 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.377 -1.141 1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.035 -0.505 0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.793 1.780 1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.786 0.568 2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.683 0.306 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.381 1.815 -0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.163 0.190 -0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.935 0.528 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.169 -1.837 0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.627 -1.497 1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.819 -1.821 -0.155 1.00 0.00 H new ATOM 596 N LYS A 38 9.033 1.391 -0.416 1.00 0.00 N ATOM 597 CA LYS A 38 8.647 2.532 -1.226 1.00 0.00 C ATOM 598 C LYS A 38 7.285 3.072 -0.807 1.00 0.00 C ATOM 599 O LYS A 38 6.865 4.137 -1.261 1.00 0.00 O ATOM 600 CB LYS A 38 8.645 2.153 -2.709 1.00 0.00 C ATOM 601 CG LYS A 38 7.308 1.636 -3.222 1.00 0.00 C ATOM 602 CD LYS A 38 6.460 2.763 -3.790 1.00 0.00 C ATOM 603 CE LYS A 38 6.474 2.758 -5.311 1.00 0.00 C ATOM 604 NZ LYS A 38 7.468 3.721 -5.861 1.00 0.00 N ATOM 0 H LYS A 38 9.028 0.499 -0.911 1.00 0.00 H new ATOM 0 HA LYS A 38 9.380 3.323 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.933 3.026 -3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.405 1.390 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.478 0.883 -3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.770 1.147 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.435 2.663 -3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.833 3.720 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.705 1.754 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.481 3.009 -5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.974 4.564 -6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.132 4.001 -5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.993 3.272 -6.639 1.00 0.00 H new ATOM 618 N GLY A 39 6.612 2.352 0.080 1.00 0.00 N ATOM 619 CA GLY A 39 5.338 2.807 0.553 1.00 0.00 C ATOM 620 C GLY A 39 5.496 3.679 1.781 1.00 0.00 C ATOM 621 O GLY A 39 4.871 4.731 1.906 1.00 0.00 O ATOM 0 H GLY A 39 6.931 1.467 0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.833 3.368 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.707 1.951 0.789 1.00 0.00 H new ATOM 625 N GLY A 40 6.348 3.234 2.680 1.00 0.00 N ATOM 626 CA GLY A 40 6.610 3.970 3.901 1.00 0.00 C ATOM 627 C GLY A 40 7.125 5.360 3.626 1.00 0.00 C ATOM 628 O GLY A 40 6.816 6.298 4.355 1.00 0.00 O ATOM 0 H GLY A 40 6.873 2.364 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.695 4.033 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.339 3.426 4.502 1.00 0.00 H new ATOM 632 N GLU A 41 7.907 5.502 2.566 1.00 0.00 N ATOM 633 CA GLU A 41 8.444 6.805 2.203 1.00 0.00 C ATOM 634 C GLU A 41 7.309 7.767 1.874 1.00 0.00 C ATOM 635 O GLU A 41 7.298 8.914 2.317 1.00 0.00 O ATOM 636 CB GLU A 41 9.379 6.678 1.003 1.00 0.00 C ATOM 637 CG GLU A 41 8.712 6.045 -0.207 1.00 0.00 C ATOM 638 CD GLU A 41 9.671 5.843 -1.366 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.797 6.377 -1.306 1.00 0.00 O ATOM 640 OE2 GLU A 41 9.293 5.148 -2.333 1.00 0.00 O ATOM 0 H GLU A 41 8.182 4.739 1.947 1.00 0.00 H new ATOM 0 HA GLU A 41 9.008 7.196 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.748 7.667 0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.246 6.081 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.287 5.083 0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.884 6.675 -0.532 1.00 0.00 H new ATOM 647 N MET A 42 6.352 7.280 1.090 1.00 0.00 N ATOM 648 CA MET A 42 5.201 8.074 0.690 1.00 0.00 C ATOM 649 C MET A 42 4.197 8.183 1.825 1.00 0.00 C ATOM 650 O MET A 42 3.522 9.198 1.988 1.00 0.00 O ATOM 651 CB MET A 42 4.522 7.432 -0.514 1.00 0.00 C ATOM 652 CG MET A 42 3.737 6.180 -0.162 1.00 0.00 C ATOM 653 SD MET A 42 2.627 5.677 -1.483 1.00 0.00 S ATOM 654 CE MET A 42 3.329 4.084 -1.862 1.00 0.00 C ATOM 0 H MET A 42 6.354 6.330 0.718 1.00 0.00 H new ATOM 0 HA MET A 42 5.552 9.073 0.431 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.850 8.157 -0.973 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.278 7.182 -1.258 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.431 5.368 0.055 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.161 6.358 0.746 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.961 3.746 -2.831 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.416 4.164 -1.894 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.040 3.367 -1.094 1.00 0.00 H new ATOM 664 N TRP A 43 4.099 7.106 2.591 1.00 0.00 N ATOM 665 CA TRP A 43 3.180 7.017 3.701 1.00 0.00 C ATOM 666 C TRP A 43 3.547 7.979 4.834 1.00 0.00 C ATOM 667 O TRP A 43 2.713 8.766 5.283 1.00 0.00 O ATOM 668 CB TRP A 43 3.183 5.564 4.156 1.00 0.00 C ATOM 669 CG TRP A 43 2.849 5.336 5.577 1.00 0.00 C ATOM 670 CD1 TRP A 43 3.723 5.112 6.582 1.00 0.00 C ATOM 671 CD2 TRP A 43 1.549 5.274 6.133 1.00 0.00 C ATOM 672 NE1 TRP A 43 3.036 4.909 7.759 1.00 0.00 N ATOM 673 CE2 TRP A 43 1.690 5.004 7.500 1.00 0.00 C ATOM 674 CE3 TRP A 43 0.278 5.424 5.595 1.00 0.00 C ATOM 675 CZ2 TRP A 43 0.593 4.875 8.343 1.00 0.00 C ATOM 676 CZ3 TRP A 43 -0.814 5.298 6.424 1.00 0.00 C ATOM 677 CH2 TRP A 43 -0.653 5.025 7.787 1.00 0.00 C ATOM 0 H TRP A 43 4.662 6.267 2.453 1.00 0.00 H new ATOM 0 HA TRP A 43 2.179 7.318 3.393 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.474 5.009 3.542 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.170 5.144 3.962 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.798 5.095 6.479 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.456 4.720 8.669 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.148 5.636 4.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.716 4.665 9.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.808 5.411 6.017 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.527 4.930 8.414 1.00 0.00 H new ATOM 688 N LYS A 44 4.785 7.889 5.308 1.00 0.00 N ATOM 689 CA LYS A 44 5.272 8.721 6.410 1.00 0.00 C ATOM 690 C LYS A 44 4.752 10.163 6.372 1.00 0.00 C ATOM 691 O LYS A 44 4.638 10.802 7.418 1.00 0.00 O ATOM 692 CB LYS A 44 6.803 8.730 6.406 1.00 0.00 C ATOM 693 CG LYS A 44 7.419 7.699 7.339 1.00 0.00 C ATOM 694 CD LYS A 44 8.082 8.354 8.540 1.00 0.00 C ATOM 695 CE LYS A 44 8.955 7.369 9.300 1.00 0.00 C ATOM 696 NZ LYS A 44 9.074 7.727 10.740 1.00 0.00 N ATOM 0 H LYS A 44 5.481 7.239 4.942 1.00 0.00 H new ATOM 0 HA LYS A 44 4.886 8.276 7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.157 8.547 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.153 9.722 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.647 7.010 7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.155 7.108 6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.687 9.197 8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.317 8.753 9.206 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.536 6.367 9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.947 7.341 8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.677 7.030 11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.498 8.673 10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.130 7.728 11.177 1.00 0.00 H new ATOM 710 N GLU A 45 4.459 10.692 5.185 1.00 0.00 N ATOM 711 CA GLU A 45 3.985 12.074 5.083 1.00 0.00 C ATOM 712 C GLU A 45 2.703 12.206 4.258 1.00 0.00 C ATOM 713 O GLU A 45 2.324 13.315 3.880 1.00 0.00 O ATOM 714 CB GLU A 45 5.077 12.956 4.475 1.00 0.00 C ATOM 715 CG GLU A 45 6.293 13.121 5.371 1.00 0.00 C ATOM 716 CD GLU A 45 6.262 14.414 6.164 1.00 0.00 C ATOM 717 OE1 GLU A 45 5.189 14.752 6.705 1.00 0.00 O ATOM 718 OE2 GLU A 45 7.311 15.085 6.244 1.00 0.00 O ATOM 0 H GLU A 45 4.539 10.198 4.296 1.00 0.00 H new ATOM 0 HA GLU A 45 3.752 12.402 6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.392 12.526 3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.660 13.939 4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.349 12.278 6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.196 13.095 4.761 1.00 0.00 H new ATOM 725 N LEU A 46 2.041 11.092 3.972 1.00 0.00 N ATOM 726 CA LEU A 46 0.814 11.141 3.183 1.00 0.00 C ATOM 727 C LEU A 46 -0.359 11.618 4.056 1.00 0.00 C ATOM 728 O LEU A 46 -0.314 11.493 5.279 1.00 0.00 O ATOM 729 CB LEU A 46 0.570 9.781 2.506 1.00 0.00 C ATOM 730 CG LEU A 46 -0.627 8.971 2.987 1.00 0.00 C ATOM 731 CD1 LEU A 46 -0.896 7.819 2.041 1.00 0.00 C ATOM 732 CD2 LEU A 46 -0.390 8.452 4.389 1.00 0.00 C ATOM 0 H LEU A 46 2.325 10.158 4.268 1.00 0.00 H new ATOM 0 HA LEU A 46 0.911 11.871 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.455 9.952 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.465 9.173 2.637 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.500 9.624 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.754 7.249 2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.107 8.208 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.021 7.170 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.256 7.876 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.494 7.814 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.237 9.292 5.067 1.00 0.00 H new ATOM 744 N LYS A 47 -1.391 12.198 3.431 1.00 0.00 N ATOM 745 CA LYS A 47 -2.546 12.726 4.174 1.00 0.00 C ATOM 746 C LYS A 47 -3.663 11.702 4.313 1.00 0.00 C ATOM 747 O LYS A 47 -4.753 12.017 4.792 1.00 0.00 O ATOM 748 CB LYS A 47 -3.081 13.987 3.491 1.00 0.00 C ATOM 749 CG LYS A 47 -3.953 14.843 4.395 1.00 0.00 C ATOM 750 CD LYS A 47 -3.188 15.321 5.618 1.00 0.00 C ATOM 751 CE LYS A 47 -3.957 16.392 6.372 1.00 0.00 C ATOM 752 NZ LYS A 47 -5.363 15.981 6.643 1.00 0.00 N ATOM 0 H LYS A 47 -1.452 12.314 2.419 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.197 12.969 5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.240 14.584 3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.657 13.698 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.323 15.703 3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.824 14.269 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.994 14.477 6.280 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.219 15.715 5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.453 16.605 7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.954 17.316 5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.797 16.648 7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.903 15.983 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.373 15.025 7.051 1.00 0.00 H new ATOM 766 N ASP A 48 -3.376 10.475 3.930 1.00 0.00 N ATOM 767 CA ASP A 48 -4.333 9.393 4.045 1.00 0.00 C ATOM 768 C ASP A 48 -4.024 8.578 5.296 1.00 0.00 C ATOM 769 O ASP A 48 -4.838 7.776 5.742 1.00 0.00 O ATOM 770 CB ASP A 48 -4.287 8.503 2.802 1.00 0.00 C ATOM 771 CG ASP A 48 -5.668 8.070 2.350 1.00 0.00 C ATOM 772 OD1 ASP A 48 -6.540 7.865 3.220 1.00 0.00 O ATOM 773 OD2 ASP A 48 -5.878 7.938 1.126 1.00 0.00 O ATOM 0 H ASP A 48 -2.478 10.200 3.532 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.337 9.809 4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.794 9.040 1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.683 7.620 3.013 1.00 0.00 H new ATOM 778 N LYS A 49 -2.838 8.814 5.864 1.00 0.00 N ATOM 779 CA LYS A 49 -2.405 8.127 7.073 1.00 0.00 C ATOM 780 C LYS A 49 -3.116 8.702 8.284 1.00 0.00 C ATOM 781 O LYS A 49 -3.236 8.045 9.315 1.00 0.00 O ATOM 782 CB LYS A 49 -0.891 8.257 7.249 1.00 0.00 C ATOM 783 CG LYS A 49 -0.387 7.790 8.599 1.00 0.00 C ATOM 784 CD LYS A 49 0.194 8.940 9.401 1.00 0.00 C ATOM 785 CE LYS A 49 1.414 9.524 8.706 1.00 0.00 C ATOM 786 NZ LYS A 49 2.130 10.504 9.568 1.00 0.00 N ATOM 0 H LYS A 49 -2.159 9.482 5.498 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.658 7.071 6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.394 7.682 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.607 9.300 7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.205 7.332 9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.373 7.021 8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.561 9.715 9.532 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.469 8.592 10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.095 8.718 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.106 10.012 7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.017 10.789 9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.531 11.342 9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.343 10.067 10.487 1.00 0.00 H new ATOM 800 N SER A 50 -3.643 9.908 8.136 1.00 0.00 N ATOM 801 CA SER A 50 -4.395 10.525 9.207 1.00 0.00 C ATOM 802 C SER A 50 -5.787 9.926 9.186 1.00 0.00 C ATOM 803 O SER A 50 -6.414 9.714 10.224 1.00 0.00 O ATOM 804 CB SER A 50 -4.458 12.042 9.027 1.00 0.00 C ATOM 805 OG SER A 50 -3.436 12.688 9.767 1.00 0.00 O ATOM 0 H SER A 50 -3.562 10.472 7.290 1.00 0.00 H new ATOM 0 HA SER A 50 -3.911 10.338 10.166 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.358 12.290 7.970 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.432 12.409 9.350 1.00 0.00 H new ATOM 0 HG SER A 50 -3.498 13.657 9.633 1.00 0.00 H new ATOM 811 N LYS A 51 -6.252 9.652 7.970 1.00 0.00 N ATOM 812 CA LYS A 51 -7.569 9.065 7.764 1.00 0.00 C ATOM 813 C LYS A 51 -7.516 7.541 7.872 1.00 0.00 C ATOM 814 O LYS A 51 -8.533 6.898 8.133 1.00 0.00 O ATOM 815 CB LYS A 51 -8.120 9.472 6.395 1.00 0.00 C ATOM 816 CG LYS A 51 -9.494 8.890 6.094 1.00 0.00 C ATOM 817 CD LYS A 51 -9.451 7.943 4.904 1.00 0.00 C ATOM 818 CE LYS A 51 -8.620 6.706 5.205 1.00 0.00 C ATOM 819 NZ LYS A 51 -8.593 5.761 4.055 1.00 0.00 N ATOM 0 H LYS A 51 -5.732 9.829 7.110 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.231 9.440 8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.176 10.559 6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.422 9.152 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.865 8.358 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.196 9.699 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.465 7.645 4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.034 8.461 4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.602 7.005 5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.026 6.200 6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.923 4.991 4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.543 5.365 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.293 6.267 3.197 1.00 0.00 H new ATOM 833 N TRP A 52 -6.331 6.962 7.669 1.00 0.00 N ATOM 834 CA TRP A 52 -6.173 5.513 7.745 1.00 0.00 C ATOM 835 C TRP A 52 -5.648 5.075 9.107 1.00 0.00 C ATOM 836 O TRP A 52 -5.986 3.996 9.583 1.00 0.00 O ATOM 837 CB TRP A 52 -5.237 4.999 6.645 1.00 0.00 C ATOM 838 CG TRP A 52 -5.942 4.184 5.602 1.00 0.00 C ATOM 839 CD1 TRP A 52 -6.782 3.129 5.814 1.00 0.00 C ATOM 840 CD2 TRP A 52 -5.865 4.356 4.182 1.00 0.00 C ATOM 841 NE1 TRP A 52 -7.235 2.637 4.615 1.00 0.00 N ATOM 842 CE2 TRP A 52 -6.686 3.373 3.598 1.00 0.00 C ATOM 843 CE3 TRP A 52 -5.184 5.247 3.349 1.00 0.00 C ATOM 844 CZ2 TRP A 52 -6.843 3.257 2.220 1.00 0.00 C ATOM 845 CZ3 TRP A 52 -5.340 5.130 1.980 1.00 0.00 C ATOM 846 CH2 TRP A 52 -6.164 4.142 1.427 1.00 0.00 C ATOM 0 H TRP A 52 -5.474 7.472 7.453 1.00 0.00 H new ATOM 0 HA TRP A 52 -7.163 5.080 7.600 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.750 5.848 6.165 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.451 4.395 7.099 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -7.051 2.738 6.784 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -7.876 1.852 4.500 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.547 6.013 3.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.478 2.496 1.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -4.817 5.812 1.326 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -6.266 4.077 0.354 1.00 0.00 H new ATOM 857 N GLU A 53 -4.844 5.915 9.753 1.00 0.00 N ATOM 858 CA GLU A 53 -4.315 5.575 11.072 1.00 0.00 C ATOM 859 C GLU A 53 -5.452 5.220 11.995 1.00 0.00 C ATOM 860 O GLU A 53 -5.360 4.284 12.784 1.00 0.00 O ATOM 861 CB GLU A 53 -3.538 6.733 11.695 1.00 0.00 C ATOM 862 CG GLU A 53 -2.071 6.752 11.338 1.00 0.00 C ATOM 863 CD GLU A 53 -1.175 6.410 12.513 1.00 0.00 C ATOM 864 OE1 GLU A 53 -1.649 5.723 13.442 1.00 0.00 O ATOM 865 OE2 GLU A 53 0.002 6.830 12.504 1.00 0.00 O ATOM 0 H GLU A 53 -4.548 6.822 9.393 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.637 4.732 10.941 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.991 7.673 11.378 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.637 6.681 12.779 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.889 6.043 10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.806 7.740 10.961 1.00 0.00 H new ATOM 872 N ASP A 54 -6.526 5.987 11.894 1.00 0.00 N ATOM 873 CA ASP A 54 -7.678 5.756 12.732 1.00 0.00 C ATOM 874 C ASP A 54 -8.116 4.322 12.628 1.00 0.00 C ATOM 875 O ASP A 54 -8.471 3.708 13.622 1.00 0.00 O ATOM 876 CB ASP A 54 -8.823 6.708 12.385 1.00 0.00 C ATOM 877 CG ASP A 54 -8.665 8.065 13.040 1.00 0.00 C ATOM 878 OD1 ASP A 54 -8.908 8.168 14.260 1.00 0.00 O ATOM 879 OD2 ASP A 54 -8.298 9.027 12.332 1.00 0.00 O ATOM 0 H ASP A 54 -6.618 6.767 11.244 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.393 5.958 13.765 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.872 6.833 11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.768 6.264 12.698 1.00 0.00 H new ATOM 884 N ALA A 55 -8.043 3.767 11.437 1.00 0.00 N ATOM 885 CA ALA A 55 -8.391 2.380 11.266 1.00 0.00 C ATOM 886 C ALA A 55 -7.474 1.544 12.156 1.00 0.00 C ATOM 887 O ALA A 55 -7.903 0.580 12.787 1.00 0.00 O ATOM 888 CB ALA A 55 -8.268 1.979 9.804 1.00 0.00 C ATOM 0 H ALA A 55 -7.750 4.249 10.587 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.427 2.209 11.558 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.534 0.928 9.691 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.940 2.590 9.201 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.242 2.131 9.470 1.00 0.00 H new ATOM 894 N ALA A 56 -6.190 1.909 12.160 1.00 0.00 N ATOM 895 CA ALA A 56 -5.163 1.191 12.920 1.00 0.00 C ATOM 896 C ALA A 56 -5.331 1.318 14.427 1.00 0.00 C ATOM 897 O ALA A 56 -5.380 0.315 15.130 1.00 0.00 O ATOM 898 CB ALA A 56 -3.787 1.692 12.518 1.00 0.00 C ATOM 0 H ALA A 56 -5.833 2.709 11.638 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.274 0.134 12.678 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.025 1.157 13.084 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.634 1.521 11.452 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.713 2.759 12.728 1.00 0.00 H new ATOM 904 N ALA A 57 -5.420 2.546 14.930 1.00 0.00 N ATOM 905 CA ALA A 57 -5.588 2.753 16.367 1.00 0.00 C ATOM 906 C ALA A 57 -6.945 2.223 16.820 1.00 0.00 C ATOM 907 O ALA A 57 -7.076 1.617 17.883 1.00 0.00 O ATOM 908 CB ALA A 57 -5.450 4.229 16.711 1.00 0.00 C ATOM 0 H ALA A 57 -5.380 3.401 14.375 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.807 2.204 16.893 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.578 4.366 17.785 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.461 4.581 16.415 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.212 4.799 16.179 1.00 0.00 H new ATOM 914 N LYS A 58 -7.945 2.466 15.987 1.00 0.00 N ATOM 915 CA LYS A 58 -9.306 2.025 16.268 1.00 0.00 C ATOM 916 C LYS A 58 -9.390 0.502 16.253 1.00 0.00 C ATOM 917 O LYS A 58 -10.180 -0.091 16.985 1.00 0.00 O ATOM 918 CB LYS A 58 -10.299 2.634 15.267 1.00 0.00 C ATOM 919 CG LYS A 58 -10.491 1.822 13.992 1.00 0.00 C ATOM 920 CD LYS A 58 -11.621 2.380 13.140 1.00 0.00 C ATOM 921 CE LYS A 58 -11.284 3.758 12.590 1.00 0.00 C ATOM 922 NZ LYS A 58 -12.498 4.605 12.435 1.00 0.00 N ATOM 0 H LYS A 58 -7.840 2.969 15.106 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.576 2.374 17.264 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.265 2.749 15.758 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.957 3.633 14.998 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.565 1.823 13.416 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.706 0.785 14.249 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.825 1.698 12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.531 2.439 13.736 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.579 4.253 13.258 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.789 3.653 11.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.226 5.535 12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.161 4.145 11.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.957 4.727 13.360 1.00 0.00 H new ATOM 936 N ASP A 59 -8.571 -0.126 15.411 1.00 0.00 N ATOM 937 CA ASP A 59 -8.562 -1.579 15.305 1.00 0.00 C ATOM 938 C ASP A 59 -7.679 -2.203 16.378 1.00 0.00 C ATOM 939 O ASP A 59 -7.972 -3.282 16.869 1.00 0.00 O ATOM 940 CB ASP A 59 -8.090 -2.019 13.914 1.00 0.00 C ATOM 941 CG ASP A 59 -8.426 -3.468 13.622 1.00 0.00 C ATOM 942 OD1 ASP A 59 -8.792 -4.196 14.569 1.00 0.00 O ATOM 943 OD2 ASP A 59 -8.324 -3.876 12.447 1.00 0.00 O ATOM 0 H ASP A 59 -7.909 0.348 14.796 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.584 -1.928 15.456 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.551 -1.383 13.159 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.012 -1.876 13.837 1.00 0.00 H new ATOM 948 N LYS A 60 -6.610 -1.515 16.756 1.00 0.00 N ATOM 949 CA LYS A 60 -5.712 -2.021 17.789 1.00 0.00 C ATOM 950 C LYS A 60 -6.460 -2.092 19.109 1.00 0.00 C ATOM 951 O LYS A 60 -6.325 -3.038 19.886 1.00 0.00 O ATOM 952 CB LYS A 60 -4.473 -1.114 17.914 1.00 0.00 C ATOM 953 CG LYS A 60 -4.105 -0.727 19.345 1.00 0.00 C ATOM 954 CD LYS A 60 -4.814 0.547 19.777 1.00 0.00 C ATOM 955 CE LYS A 60 -3.881 1.471 20.545 1.00 0.00 C ATOM 956 NZ LYS A 60 -4.301 2.896 20.440 1.00 0.00 N ATOM 0 H LYS A 60 -6.343 -0.611 16.367 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.371 -3.020 17.517 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.622 -1.621 17.459 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.647 -0.204 17.340 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.369 -1.539 20.022 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.027 -0.588 19.420 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.200 1.065 18.899 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.672 0.294 20.400 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.859 1.175 21.594 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.866 1.362 20.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.640 3.493 20.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.297 3.186 19.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.259 3.005 20.829 1.00 0.00 H new ATOM 970 N GLN A 61 -7.229 -1.053 19.338 1.00 0.00 N ATOM 971 CA GLN A 61 -8.011 -0.901 20.538 1.00 0.00 C ATOM 972 C GLN A 61 -9.315 -1.682 20.444 1.00 0.00 C ATOM 973 O GLN A 61 -9.834 -2.150 21.449 1.00 0.00 O ATOM 974 CB GLN A 61 -8.275 0.591 20.794 1.00 0.00 C ATOM 975 CG GLN A 61 -9.699 0.920 21.215 1.00 0.00 C ATOM 976 CD GLN A 61 -9.775 1.553 22.592 1.00 0.00 C ATOM 977 OE1 GLN A 61 -10.559 2.473 22.824 1.00 0.00 O ATOM 978 NE2 GLN A 61 -8.956 1.061 23.517 1.00 0.00 N ATOM 0 H GLN A 61 -7.329 -0.278 18.683 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.450 -1.308 21.379 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.592 0.940 21.568 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.040 1.149 19.887 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.142 1.597 20.484 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.295 0.008 21.206 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.322 0.298 23.282 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.962 1.447 24.461 1.00 0.00 H new ATOM 987 N ARG A 62 -9.867 -1.814 19.252 1.00 0.00 N ATOM 988 CA ARG A 62 -11.118 -2.536 19.111 1.00 0.00 C ATOM 989 C ARG A 62 -10.890 -4.037 18.988 1.00 0.00 C ATOM 990 O ARG A 62 -11.813 -4.828 19.178 1.00 0.00 O ATOM 991 CB ARG A 62 -11.895 -2.051 17.896 1.00 0.00 C ATOM 992 CG ARG A 62 -13.039 -2.977 17.538 1.00 0.00 C ATOM 993 CD ARG A 62 -13.721 -2.552 16.250 1.00 0.00 C ATOM 994 NE ARG A 62 -12.783 -2.500 15.130 1.00 0.00 N ATOM 995 CZ ARG A 62 -13.123 -2.137 13.895 1.00 0.00 C ATOM 996 NH1 ARG A 62 -14.375 -1.793 13.617 1.00 0.00 N ATOM 997 NH2 ARG A 62 -12.209 -2.117 12.934 1.00 0.00 N ATOM 0 H ARG A 62 -9.480 -1.440 18.385 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.696 -2.341 20.014 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.286 -1.053 18.093 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.219 -1.967 17.045 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.664 -3.995 17.433 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.767 -2.987 18.349 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.526 -3.249 16.018 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -14.178 -1.572 16.387 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.811 -2.757 15.305 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.083 -1.806 14.352 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.629 -1.516 12.669 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.245 -2.380 13.141 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.470 -1.839 11.988 1.00 0.00 H new ATOM 1011 N TYR A 63 -9.671 -4.427 18.668 1.00 0.00 N ATOM 1012 CA TYR A 63 -9.352 -5.839 18.516 1.00 0.00 C ATOM 1013 C TYR A 63 -8.962 -6.403 19.849 1.00 0.00 C ATOM 1014 O TYR A 63 -9.400 -7.474 20.245 1.00 0.00 O ATOM 1015 CB TYR A 63 -8.222 -6.052 17.501 1.00 0.00 C ATOM 1016 CG TYR A 63 -6.847 -6.230 18.125 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -6.515 -7.376 18.838 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -5.894 -5.237 18.010 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -5.269 -7.518 19.419 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -4.644 -5.369 18.581 1.00 0.00 C ATOM 1021 CZ TYR A 63 -4.336 -6.510 19.287 1.00 0.00 C ATOM 1022 OH TYR A 63 -3.094 -6.640 19.866 1.00 0.00 O ATOM 0 H TYR A 63 -8.888 -3.793 18.509 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.235 -6.355 18.139 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.451 -6.931 16.898 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.193 -5.199 16.823 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.242 -8.168 18.940 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.132 -4.338 17.461 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.027 -8.413 19.973 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.912 -4.582 18.474 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.559 -5.841 19.676 1.00 0.00 H new ATOM 1032 N HIS A 64 -8.151 -5.656 20.556 1.00 0.00 N ATOM 1033 CA HIS A 64 -7.726 -6.075 21.853 1.00 0.00 C ATOM 1034 C HIS A 64 -8.897 -5.934 22.825 1.00 0.00 C ATOM 1035 O HIS A 64 -8.962 -6.597 23.853 1.00 0.00 O ATOM 1036 CB HIS A 64 -6.527 -5.220 22.264 1.00 0.00 C ATOM 1037 CG HIS A 64 -6.905 -3.967 22.955 1.00 0.00 C ATOM 1038 ND1 HIS A 64 -7.900 -3.168 22.490 1.00 0.00 N ATOM 1039 CD2 HIS A 64 -6.424 -3.374 24.063 1.00 0.00 C ATOM 1040 CE1 HIS A 64 -8.028 -2.125 23.269 1.00 0.00 C ATOM 1041 NE2 HIS A 64 -7.142 -2.219 24.244 1.00 0.00 N ATOM 0 H HIS A 64 -7.777 -4.758 20.250 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.417 -7.120 21.857 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.880 -5.805 22.918 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -5.944 -4.974 21.376 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -8.462 -3.353 21.659 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.624 -3.738 24.691 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.738 -1.322 23.137 1.00 0.00 H new ATOM 1050 N ASP A 65 -9.827 -5.052 22.488 1.00 0.00 N ATOM 1051 CA ASP A 65 -10.967 -4.813 23.337 1.00 0.00 C ATOM 1052 C ASP A 65 -12.023 -5.881 23.171 1.00 0.00 C ATOM 1053 O ASP A 65 -12.979 -5.929 23.945 1.00 0.00 O ATOM 1054 CB ASP A 65 -11.563 -3.463 23.005 1.00 0.00 C ATOM 1055 CG ASP A 65 -12.748 -3.106 23.882 1.00 0.00 C ATOM 1056 OD1 ASP A 65 -13.881 -3.509 23.543 1.00 0.00 O ATOM 1057 OD2 ASP A 65 -12.543 -2.423 24.907 1.00 0.00 O ATOM 0 H ASP A 65 -9.808 -4.495 21.633 1.00 0.00 H new ATOM 0 HA ASP A 65 -10.627 -4.835 24.372 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.795 -2.697 23.112 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.876 -3.457 21.961 1.00 0.00 H new ATOM 1062 N GLU A 66 -11.886 -6.720 22.154 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.892 -7.735 21.939 1.00 0.00 C ATOM 1064 C GLU A 66 -12.270 -9.015 21.455 1.00 0.00 C ATOM 1065 O GLU A 66 -12.627 -10.096 21.906 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.953 -7.246 20.946 1.00 0.00 C ATOM 1067 CG GLU A 66 -13.476 -7.199 19.503 1.00 0.00 C ATOM 1068 CD GLU A 66 -14.274 -6.226 18.657 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -14.874 -5.294 19.230 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -14.300 -6.398 17.420 1.00 0.00 O ATOM 0 H GLU A 66 -11.113 -6.717 21.488 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.378 -7.933 22.894 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.823 -7.900 21.009 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.281 -6.249 21.242 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.424 -6.916 19.481 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.547 -8.196 19.068 1.00 0.00 H new ATOM 1077 N MET A 67 -11.325 -8.890 20.546 1.00 0.00 N ATOM 1078 CA MET A 67 -10.655 -10.049 20.024 1.00 0.00 C ATOM 1079 C MET A 67 -9.816 -10.674 21.103 1.00 0.00 C ATOM 1080 O MET A 67 -9.837 -11.890 21.278 1.00 0.00 O ATOM 1081 CB MET A 67 -9.803 -9.670 18.820 1.00 0.00 C ATOM 1082 CG MET A 67 -10.597 -8.910 17.778 1.00 0.00 C ATOM 1083 SD MET A 67 -11.415 -9.991 16.577 1.00 0.00 S ATOM 1084 CE MET A 67 -11.361 -11.596 17.390 1.00 0.00 C ATOM 0 H MET A 67 -11.009 -8.001 20.159 1.00 0.00 H new ATOM 0 HA MET A 67 -11.396 -10.777 19.693 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.961 -9.061 19.149 1.00 0.00 H new ATOM 0 HB3 MET A 67 -9.387 -10.572 18.372 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.348 -8.298 18.278 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.931 -8.228 17.249 1.00 0.00 H new ATOM 0 HE1 MET A 67 -11.634 -12.374 16.677 1.00 0.00 H new ATOM 0 HE2 MET A 67 -10.354 -11.782 17.762 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.063 -11.605 18.224 1.00 0.00 H new ATOM 1094 N ARG A 68 -9.091 -9.846 21.848 1.00 0.00 N ATOM 1095 CA ARG A 68 -8.268 -10.382 22.915 1.00 0.00 C ATOM 1096 C ARG A 68 -9.168 -10.862 24.063 1.00 0.00 C ATOM 1097 O ARG A 68 -9.012 -11.965 24.586 1.00 0.00 O ATOM 1098 CB ARG A 68 -7.235 -9.343 23.389 1.00 0.00 C ATOM 1099 CG ARG A 68 -7.501 -8.722 24.756 1.00 0.00 C ATOM 1100 CD ARG A 68 -6.843 -7.359 24.876 1.00 0.00 C ATOM 1101 NE ARG A 68 -6.159 -7.184 26.151 1.00 0.00 N ATOM 1102 CZ ARG A 68 -5.042 -7.825 26.491 1.00 0.00 C ATOM 1103 NH1 ARG A 68 -4.481 -8.684 25.649 1.00 0.00 N ATOM 1104 NH2 ARG A 68 -4.485 -7.605 27.673 1.00 0.00 N ATOM 0 H ARG A 68 -9.058 -8.833 21.736 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.704 -11.237 22.542 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.254 -9.817 23.411 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.186 -8.543 22.650 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.575 -8.625 24.912 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.124 -9.381 25.538 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.129 -7.230 24.063 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.599 -6.582 24.762 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.560 -6.531 26.824 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.905 -8.855 24.737 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.626 -9.173 25.914 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.912 -6.945 28.323 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.630 -8.096 27.933 1.00 0.00 H new ATOM 1118 N ASN A 69 -10.091 -9.986 24.448 1.00 0.00 N ATOM 1119 CA ASN A 69 -11.015 -10.265 25.547 1.00 0.00 C ATOM 1120 C ASN A 69 -12.392 -10.738 25.070 1.00 0.00 C ATOM 1121 O ASN A 69 -13.407 -10.404 25.681 1.00 0.00 O ATOM 1122 CB ASN A 69 -11.162 -9.040 26.451 1.00 0.00 C ATOM 1123 CG ASN A 69 -11.877 -7.889 25.776 1.00 0.00 C ATOM 1124 OD1 ASN A 69 -12.899 -8.074 25.115 1.00 0.00 O ATOM 1125 ND2 ASN A 69 -11.340 -6.689 25.945 1.00 0.00 N ATOM 0 H ASN A 69 -10.221 -9.072 24.014 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.578 -11.087 26.114 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.709 -9.323 27.351 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.173 -8.710 26.770 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.775 -5.871 25.519 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.492 -6.584 26.501 1.00 0.00 H new ATOM 1132 N TYR A 70 -12.430 -11.536 24.004 1.00 0.00 N ATOM 1133 CA TYR A 70 -13.709 -12.056 23.507 1.00 0.00 C ATOM 1134 C TYR A 70 -14.228 -13.185 24.397 1.00 0.00 C ATOM 1135 O TYR A 70 -15.339 -13.677 24.199 1.00 0.00 O ATOM 1136 CB TYR A 70 -13.624 -12.555 22.053 1.00 0.00 C ATOM 1137 CG TYR A 70 -12.354 -13.293 21.683 1.00 0.00 C ATOM 1138 CD1 TYR A 70 -11.559 -13.907 22.644 1.00 0.00 C ATOM 1139 CD2 TYR A 70 -11.957 -13.381 20.354 1.00 0.00 C ATOM 1140 CE1 TYR A 70 -10.408 -14.585 22.289 1.00 0.00 C ATOM 1141 CE2 TYR A 70 -10.807 -14.056 19.993 1.00 0.00 C ATOM 1142 CZ TYR A 70 -10.036 -14.655 20.964 1.00 0.00 C ATOM 1143 OH TYR A 70 -8.890 -15.331 20.610 1.00 0.00 O ATOM 0 H TYR A 70 -11.610 -11.834 23.475 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.404 -11.217 23.535 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -14.472 -13.213 21.864 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.731 -11.698 21.388 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.845 -13.853 23.684 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.559 -12.913 19.589 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.802 -15.058 23.048 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.514 -14.114 18.955 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.771 -15.287 19.638 1.00 0.00 H new ATOM 1153 N LYS A 71 -13.425 -13.593 25.377 1.00 0.00 N ATOM 1154 CA LYS A 71 -13.818 -14.663 26.289 1.00 0.00 C ATOM 1155 C LYS A 71 -13.537 -14.280 27.743 1.00 0.00 C ATOM 1156 O LYS A 71 -14.467 -14.067 28.521 1.00 0.00 O ATOM 1157 CB LYS A 71 -13.098 -15.965 25.931 1.00 0.00 C ATOM 1158 CG LYS A 71 -13.883 -16.853 24.979 1.00 0.00 C ATOM 1159 CD LYS A 71 -13.430 -16.667 23.541 1.00 0.00 C ATOM 1160 CE LYS A 71 -11.993 -17.127 23.345 1.00 0.00 C ATOM 1161 NZ LYS A 71 -11.737 -18.441 23.996 1.00 0.00 N ATOM 0 H LYS A 71 -12.501 -13.200 25.559 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.892 -14.817 26.182 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.135 -15.726 25.480 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.892 -16.520 26.846 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.759 -17.897 25.268 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.946 -16.624 25.059 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.087 -17.228 22.876 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.518 -15.617 23.264 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.778 -17.202 22.279 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.314 -16.380 23.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.846 -18.839 23.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.667 -18.311 25.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.519 -19.093 23.782 1.00 0.00 H new ATOM 1175 N PRO A 72 -12.252 -14.183 28.140 1.00 0.00 N ATOM 1176 CA PRO A 72 -11.883 -13.822 29.513 1.00 0.00 C ATOM 1177 C PRO A 72 -12.147 -12.351 29.815 1.00 0.00 C ATOM 1178 O PRO A 72 -12.142 -11.511 28.914 1.00 0.00 O ATOM 1179 CB PRO A 72 -10.383 -14.118 29.567 1.00 0.00 C ATOM 1180 CG PRO A 72 -9.920 -13.961 28.162 1.00 0.00 C ATOM 1181 CD PRO A 72 -11.062 -14.415 27.294 1.00 0.00 C ATOM 0 HA PRO A 72 -12.466 -14.373 30.251 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.866 -13.428 30.234 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.190 -15.125 29.938 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.658 -12.924 27.951 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.028 -14.559 27.976 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -11.112 -13.845 26.366 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.964 -15.465 27.018 1.00 0.00 H new ATOM 1189 N GLU A 73 -12.379 -12.046 31.088 1.00 0.00 N ATOM 1190 CA GLU A 73 -12.646 -10.675 31.508 1.00 0.00 C ATOM 1191 C GLU A 73 -11.855 -10.328 32.765 1.00 0.00 C ATOM 1192 O GLU A 73 -11.041 -9.405 32.762 1.00 0.00 O ATOM 1193 CB GLU A 73 -14.142 -10.480 31.762 1.00 0.00 C ATOM 1194 CG GLU A 73 -14.935 -10.157 30.506 1.00 0.00 C ATOM 1195 CD GLU A 73 -16.433 -10.163 30.745 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -16.858 -9.790 31.858 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -17.180 -10.539 29.818 1.00 0.00 O ATOM 0 H GLU A 73 -12.387 -12.729 31.846 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.331 -10.007 30.706 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.546 -11.386 32.214 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.278 -9.675 32.484 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.634 -9.178 30.132 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.692 -10.883 29.730 1.00 0.00 H new ATOM 1204 N ALA A 74 -12.102 -11.072 33.838 1.00 0.00 N ATOM 1205 CA ALA A 74 -11.413 -10.842 35.102 1.00 0.00 C ATOM 1206 C ALA A 74 -11.694 -9.441 35.633 1.00 0.00 C ATOM 1207 O ALA A 74 -12.544 -8.743 35.041 1.00 0.00 O ATOM 1208 CB ALA A 74 -9.917 -11.056 34.933 1.00 0.00 C ATOM 1209 OXT ALA A 74 -11.062 -9.053 36.638 1.00 0.00 O ATOM 0 H ALA A 74 -12.774 -11.839 33.857 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.791 -11.560 35.830 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.415 -10.881 35.884 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.730 -12.079 34.607 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.532 -10.361 34.186 1.00 0.00 H new TER 1215 ALA A 74