USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 80:sc= 1.13 USER MOD Single : A 12 LYS NZ :NH3+ -174:sc= -0.394 (180deg=-0.521) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0258) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 147:sc= -0.0993 (180deg=-0.785) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -85:sc= 0.907 USER MOD Single : A 23 LYS NZ :NH3+ -152:sc= -0.167 (180deg=-0.776) USER MOD Single : A 24 ASN : amide:sc= -0.0888 K(o=-0.089,f=-1.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.2!) USER MOD Single : A 28 LYS NZ :NH3+ -154:sc=-0.00144 (180deg=-0.202) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0554 X(o=-0.055,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -4.084 -1.462 -1.698 1.00 3.44 N ATOM 2 CA LYS A 1 -2.875 -0.665 -1.870 1.00 43.11 C ATOM 3 C LYS A 1 -3.156 0.576 -2.711 1.00 73.03 C ATOM 4 O LYS A 1 -3.197 0.509 -3.940 1.00 12.10 O ATOM 5 CB LYS A 1 -1.777 -1.503 -2.530 1.00 1.24 C ATOM 6 CG LYS A 1 -0.530 -1.652 -1.676 1.00 2.15 C ATOM 7 CD LYS A 1 0.608 -2.289 -2.456 1.00 52.31 C ATOM 8 CE LYS A 1 1.249 -1.298 -3.416 1.00 15.22 C ATOM 9 NZ LYS A 1 2.220 -0.405 -2.725 1.00 32.23 N ATOM 0 H1 LYS A 1 -3.868 -2.301 -1.123 1.00 3.44 H new ATOM 0 H2 LYS A 1 -4.811 -0.892 -1.220 1.00 3.44 H new ATOM 0 H3 LYS A 1 -4.437 -1.762 -2.629 1.00 3.44 H new ATOM 0 HA LYS A 1 -2.537 -0.345 -0.884 1.00 43.11 H new ATOM 0 HB2 LYS A 1 -2.173 -2.493 -2.756 1.00 1.24 H new ATOM 0 HB3 LYS A 1 -1.504 -1.045 -3.481 1.00 1.24 H new ATOM 0 HG2 LYS A 1 -0.219 -0.673 -1.311 1.00 2.15 H new ATOM 0 HG3 LYS A 1 -0.758 -2.261 -0.801 1.00 2.15 H new ATOM 0 HD2 LYS A 1 1.361 -2.664 -1.763 1.00 52.31 H new ATOM 0 HD3 LYS A 1 0.233 -3.147 -3.014 1.00 52.31 H new ATOM 0 HE2 LYS A 1 1.758 -1.841 -4.212 1.00 15.22 H new ATOM 0 HE3 LYS A 1 0.473 -0.695 -3.887 1.00 15.22 H new ATOM 0 HZ1 LYS A 1 2.635 0.255 -3.413 1.00 32.23 H new ATOM 0 HZ2 LYS A 1 1.729 0.132 -1.982 1.00 32.23 H new ATOM 0 HZ3 LYS A 1 2.975 -0.978 -2.297 1.00 32.23 H new ATOM 23 N PHE A 2 -3.348 1.708 -2.042 1.00 34.20 N ATOM 24 CA PHE A 2 -3.626 2.964 -2.728 1.00 45.23 C ATOM 25 C PHE A 2 -2.475 3.950 -2.544 1.00 72.33 C ATOM 26 O PHE A 2 -1.775 3.923 -1.532 1.00 15.45 O ATOM 27 CB PHE A 2 -4.926 3.578 -2.207 1.00 55.43 C ATOM 28 CG PHE A 2 -6.073 3.460 -3.170 1.00 50.23 C ATOM 29 CD1 PHE A 2 -6.132 4.261 -4.300 1.00 1.05 C ATOM 30 CD2 PHE A 2 -7.092 2.548 -2.947 1.00 24.12 C ATOM 31 CE1 PHE A 2 -7.186 4.155 -5.187 1.00 33.33 C ATOM 32 CE2 PHE A 2 -8.148 2.437 -3.831 1.00 33.32 C ATOM 33 CZ PHE A 2 -8.195 3.241 -4.953 1.00 30.42 C ATOM 0 H PHE A 2 -3.316 1.781 -1.025 1.00 34.20 H new ATOM 0 HA PHE A 2 -3.734 2.752 -3.792 1.00 45.23 H new ATOM 0 HB2 PHE A 2 -5.198 3.093 -1.270 1.00 55.43 H new ATOM 0 HB3 PHE A 2 -4.757 4.631 -1.983 1.00 55.43 H new ATOM 0 HD1 PHE A 2 -5.345 4.976 -4.489 1.00 1.05 H new ATOM 0 HD2 PHE A 2 -7.060 1.916 -2.072 1.00 24.12 H new ATOM 0 HE1 PHE A 2 -7.221 4.786 -6.063 1.00 33.33 H new ATOM 0 HE2 PHE A 2 -8.936 1.722 -3.645 1.00 33.32 H new ATOM 0 HZ PHE A 2 -9.019 3.155 -5.646 1.00 30.42 H new ATOM 43 N LYS A 3 -2.285 4.819 -3.531 1.00 61.33 N ATOM 44 CA LYS A 3 -1.221 5.814 -3.480 1.00 42.23 C ATOM 45 C LYS A 3 -1.692 7.078 -2.769 1.00 0.35 C ATOM 46 O LYS A 3 -2.368 7.920 -3.361 1.00 24.22 O ATOM 47 CB LYS A 3 -0.748 6.158 -4.895 1.00 13.54 C ATOM 48 CG LYS A 3 -0.218 4.963 -5.667 1.00 22.24 C ATOM 49 CD LYS A 3 1.264 4.746 -5.410 1.00 1.30 C ATOM 50 CE LYS A 3 2.033 4.560 -6.709 1.00 23.21 C ATOM 51 NZ LYS A 3 3.445 5.018 -6.588 1.00 61.21 N ATOM 0 H LYS A 3 -2.855 4.854 -4.376 1.00 61.33 H new ATOM 0 HA LYS A 3 -0.389 5.391 -2.918 1.00 42.23 H new ATOM 0 HB2 LYS A 3 -1.577 6.599 -5.449 1.00 13.54 H new ATOM 0 HB3 LYS A 3 0.033 6.916 -4.834 1.00 13.54 H new ATOM 0 HG2 LYS A 3 -0.772 4.069 -5.381 1.00 22.24 H new ATOM 0 HG3 LYS A 3 -0.385 5.114 -6.733 1.00 22.24 H new ATOM 0 HD2 LYS A 3 1.669 5.599 -4.865 1.00 1.30 H new ATOM 0 HD3 LYS A 3 1.400 3.869 -4.777 1.00 1.30 H new ATOM 0 HE2 LYS A 3 2.016 3.508 -6.994 1.00 23.21 H new ATOM 0 HE3 LYS A 3 1.538 5.115 -7.506 1.00 23.21 H new ATOM 0 HZ1 LYS A 3 3.935 4.875 -7.494 1.00 61.21 H new ATOM 0 HZ2 LYS A 3 3.462 6.028 -6.341 1.00 61.21 H new ATOM 0 HZ3 LYS A 3 3.925 4.472 -5.844 1.00 61.21 H new ATOM 65 N TRP A 4 -1.330 7.205 -1.497 1.00 51.31 N ATOM 66 CA TRP A 4 -1.715 8.368 -0.706 1.00 12.44 C ATOM 67 C TRP A 4 -1.285 9.660 -1.391 1.00 43.33 C ATOM 68 O TRP A 4 -2.005 10.658 -1.366 1.00 24.54 O ATOM 69 CB TRP A 4 -1.097 8.287 0.691 1.00 14.53 C ATOM 70 CG TRP A 4 -1.435 7.021 1.418 1.00 62.45 C ATOM 71 CD1 TRP A 4 -0.558 6.158 2.011 1.00 32.13 C ATOM 72 CD2 TRP A 4 -2.742 6.474 1.625 1.00 64.54 C ATOM 73 NE1 TRP A 4 -1.241 5.107 2.575 1.00 14.41 N ATOM 74 CE2 TRP A 4 -2.582 5.278 2.353 1.00 52.05 C ATOM 75 CE3 TRP A 4 -4.031 6.878 1.268 1.00 22.01 C ATOM 76 CZ2 TRP A 4 -3.664 4.485 2.728 1.00 43.45 C ATOM 77 CZ3 TRP A 4 -5.103 6.090 1.641 1.00 51.12 C ATOM 78 CH2 TRP A 4 -4.915 4.905 2.365 1.00 44.40 C ATOM 0 H TRP A 4 -0.771 6.517 -0.992 1.00 51.31 H new ATOM 0 HA TRP A 4 -2.801 8.371 -0.616 1.00 12.44 H new ATOM 0 HB2 TRP A 4 -0.014 8.371 0.606 1.00 14.53 H new ATOM 0 HB3 TRP A 4 -1.437 9.138 1.281 1.00 14.53 H new ATOM 0 HD1 TRP A 4 0.515 6.283 2.033 1.00 32.13 H new ATOM 0 HE1 TRP A 4 -0.818 4.326 3.077 1.00 14.41 H new ATOM 0 HE3 TRP A 4 -4.187 7.790 0.711 1.00 22.01 H new ATOM 0 HZ2 TRP A 4 -3.521 3.571 3.285 1.00 43.45 H new ATOM 0 HZ3 TRP A 4 -6.104 6.393 1.370 1.00 51.12 H new ATOM 0 HH2 TRP A 4 -5.774 4.312 2.642 1.00 44.40 H new ATOM 89 N GLY A 5 -0.105 9.635 -2.005 1.00 13.31 N ATOM 90 CA GLY A 5 0.400 10.811 -2.689 1.00 1.10 C ATOM 91 C GLY A 5 -0.538 11.298 -3.776 1.00 20.52 C ATOM 92 O GLY A 5 -0.628 12.497 -4.038 1.00 40.11 O ATOM 0 H GLY A 5 0.509 8.822 -2.041 1.00 13.31 H new ATOM 0 HA2 GLY A 5 0.557 11.610 -1.964 1.00 1.10 H new ATOM 0 HA3 GLY A 5 1.372 10.583 -3.127 1.00 1.10 H new ATOM 96 N LYS A 6 -1.238 10.365 -4.412 1.00 32.51 N ATOM 97 CA LYS A 6 -2.174 10.703 -5.477 1.00 54.12 C ATOM 98 C LYS A 6 -3.296 11.593 -4.953 1.00 15.41 C ATOM 99 O LYS A 6 -3.526 12.688 -5.468 1.00 53.33 O ATOM 100 CB LYS A 6 -2.763 9.431 -6.091 1.00 20.45 C ATOM 101 CG LYS A 6 -3.389 9.647 -7.457 1.00 55.51 C ATOM 102 CD LYS A 6 -4.853 9.240 -7.470 1.00 53.15 C ATOM 103 CE LYS A 6 -5.383 9.110 -8.890 1.00 64.44 C ATOM 104 NZ LYS A 6 -6.842 9.397 -8.967 1.00 43.11 N ATOM 0 H LYS A 6 -1.175 9.368 -4.208 1.00 32.51 H new ATOM 0 HA LYS A 6 -1.628 11.250 -6.245 1.00 54.12 H new ATOM 0 HB2 LYS A 6 -1.977 8.681 -6.176 1.00 20.45 H new ATOM 0 HB3 LYS A 6 -3.517 9.027 -5.415 1.00 20.45 H new ATOM 0 HG2 LYS A 6 -3.300 10.697 -7.737 1.00 55.51 H new ATOM 0 HG3 LYS A 6 -2.843 9.070 -8.204 1.00 55.51 H new ATOM 0 HD2 LYS A 6 -4.972 8.291 -6.948 1.00 53.15 H new ATOM 0 HD3 LYS A 6 -5.442 9.979 -6.927 1.00 53.15 H new ATOM 0 HE2 LYS A 6 -4.843 9.796 -9.543 1.00 64.44 H new ATOM 0 HE3 LYS A 6 -5.191 8.102 -9.258 1.00 64.44 H new ATOM 0 HZ1 LYS A 6 -7.164 9.298 -9.951 1.00 43.11 H new ATOM 0 HZ2 LYS A 6 -7.360 8.727 -8.364 1.00 43.11 H new ATOM 0 HZ3 LYS A 6 -7.023 10.368 -8.640 1.00 43.11 H new ATOM 118 N LEU A 7 -3.991 11.118 -3.925 1.00 53.13 N ATOM 119 CA LEU A 7 -5.089 11.872 -3.330 1.00 0.22 C ATOM 120 C LEU A 7 -4.587 13.179 -2.725 1.00 43.54 C ATOM 121 O LEU A 7 -5.236 14.219 -2.841 1.00 50.13 O ATOM 122 CB LEU A 7 -5.785 11.035 -2.256 1.00 33.24 C ATOM 123 CG LEU A 7 -7.308 10.946 -2.356 1.00 75.25 C ATOM 124 CD1 LEU A 7 -7.820 9.711 -1.630 1.00 53.54 C ATOM 125 CD2 LEU A 7 -7.955 12.204 -1.794 1.00 65.34 C ATOM 0 H LEU A 7 -3.814 10.214 -3.486 1.00 53.13 H new ATOM 0 HA LEU A 7 -5.804 12.108 -4.118 1.00 0.22 H new ATOM 0 HB2 LEU A 7 -5.379 10.024 -2.292 1.00 33.24 H new ATOM 0 HB3 LEU A 7 -5.529 11.447 -1.280 1.00 33.24 H new ATOM 0 HG LEU A 7 -7.579 10.862 -3.408 1.00 75.25 H new ATOM 0 HD11 LEU A 7 -8.906 9.665 -1.712 1.00 53.54 H new ATOM 0 HD12 LEU A 7 -7.384 8.818 -2.078 1.00 53.54 H new ATOM 0 HD13 LEU A 7 -7.538 9.764 -0.579 1.00 53.54 H new ATOM 0 HD21 LEU A 7 -9.039 12.122 -1.874 1.00 65.34 H new ATOM 0 HD22 LEU A 7 -7.676 12.320 -0.747 1.00 65.34 H new ATOM 0 HD23 LEU A 7 -7.614 13.072 -2.359 1.00 65.34 H new ATOM 137 N PHE A 8 -3.426 13.120 -2.082 1.00 4.13 N ATOM 138 CA PHE A 8 -2.835 14.300 -1.460 1.00 60.40 C ATOM 139 C PHE A 8 -2.571 15.387 -2.498 1.00 21.23 C ATOM 140 O PHE A 8 -3.030 16.520 -2.356 1.00 12.02 O ATOM 141 CB PHE A 8 -1.531 13.929 -0.750 1.00 13.21 C ATOM 142 CG PHE A 8 -1.716 13.584 0.700 1.00 4.54 C ATOM 143 CD1 PHE A 8 -2.501 12.506 1.075 1.00 1.23 C ATOM 144 CD2 PHE A 8 -1.103 14.338 1.689 1.00 54.35 C ATOM 145 CE1 PHE A 8 -2.673 12.187 2.409 1.00 3.51 C ATOM 146 CE2 PHE A 8 -1.271 14.024 3.024 1.00 12.11 C ATOM 147 CZ PHE A 8 -2.056 12.947 3.385 1.00 72.54 C ATOM 0 H PHE A 8 -2.875 12.268 -1.978 1.00 4.13 H new ATOM 0 HA PHE A 8 -3.543 14.687 -0.727 1.00 60.40 H new ATOM 0 HB2 PHE A 8 -1.076 13.081 -1.262 1.00 13.21 H new ATOM 0 HB3 PHE A 8 -0.833 14.762 -0.831 1.00 13.21 H new ATOM 0 HD1 PHE A 8 -2.984 11.908 0.316 1.00 1.23 H new ATOM 0 HD2 PHE A 8 -0.487 15.181 1.413 1.00 54.35 H new ATOM 0 HE1 PHE A 8 -3.289 11.345 2.688 1.00 3.51 H new ATOM 0 HE2 PHE A 8 -0.789 14.620 3.784 1.00 12.11 H new ATOM 0 HZ PHE A 8 -2.188 12.699 4.428 1.00 72.54 H new ATOM 157 N SER A 9 -1.827 15.033 -3.541 1.00 31.32 N ATOM 158 CA SER A 9 -1.497 15.978 -4.601 1.00 14.43 C ATOM 159 C SER A 9 -2.763 16.514 -5.264 1.00 63.41 C ATOM 160 O SER A 9 -2.950 17.725 -5.387 1.00 22.33 O ATOM 161 CB SER A 9 -0.602 15.312 -5.647 1.00 41.21 C ATOM 162 OG SER A 9 -0.766 15.917 -6.918 1.00 5.40 O ATOM 0 H SER A 9 -1.441 14.098 -3.674 1.00 31.32 H new ATOM 0 HA SER A 9 -0.960 16.814 -4.154 1.00 14.43 H new ATOM 0 HB2 SER A 9 0.441 15.385 -5.338 1.00 41.21 H new ATOM 0 HB3 SER A 9 -0.841 14.251 -5.712 1.00 41.21 H new ATOM 0 HG SER A 9 -0.182 15.474 -7.569 1.00 5.40 H new ATOM 168 N THR A 10 -3.630 15.602 -5.692 1.00 35.44 N ATOM 169 CA THR A 10 -4.878 15.980 -6.344 1.00 23.23 C ATOM 170 C THR A 10 -5.670 16.961 -5.488 1.00 11.22 C ATOM 171 O THR A 10 -6.017 18.052 -5.938 1.00 53.43 O ATOM 172 CB THR A 10 -5.755 14.748 -6.637 1.00 25.32 C ATOM 173 OG1 THR A 10 -5.041 13.825 -7.467 1.00 22.20 O ATOM 174 CG2 THR A 10 -7.050 15.156 -7.321 1.00 52.13 C ATOM 0 H THR A 10 -3.491 14.596 -5.599 1.00 35.44 H new ATOM 0 HA THR A 10 -4.610 16.458 -7.286 1.00 23.23 H new ATOM 0 HB THR A 10 -5.999 14.269 -5.689 1.00 25.32 H new ATOM 0 HG1 THR A 10 -4.420 13.303 -6.917 1.00 22.20 H new ATOM 0 HG21 THR A 10 -7.653 14.269 -7.518 1.00 52.13 H new ATOM 0 HG22 THR A 10 -7.605 15.835 -6.674 1.00 52.13 H new ATOM 0 HG23 THR A 10 -6.822 15.656 -8.262 1.00 52.13 H new ATOM 182 N ALA A 11 -5.952 16.566 -4.251 1.00 15.24 N ATOM 183 CA ALA A 11 -6.702 17.413 -3.331 1.00 22.13 C ATOM 184 C ALA A 11 -6.058 18.790 -3.204 1.00 74.30 C ATOM 185 O ALA A 11 -6.734 19.814 -3.302 1.00 75.02 O ATOM 186 CB ALA A 11 -6.804 16.748 -1.966 1.00 3.32 C ATOM 0 H ALA A 11 -5.673 15.665 -3.863 1.00 15.24 H new ATOM 0 HA ALA A 11 -7.706 17.546 -3.734 1.00 22.13 H new ATOM 0 HB1 ALA A 11 -7.366 17.391 -1.289 1.00 3.32 H new ATOM 0 HB2 ALA A 11 -7.315 15.790 -2.065 1.00 3.32 H new ATOM 0 HB3 ALA A 11 -5.804 16.585 -1.565 1.00 3.32 H new ATOM 192 N LYS A 12 -4.748 18.807 -2.985 1.00 11.34 N ATOM 193 CA LYS A 12 -4.012 20.058 -2.845 1.00 11.22 C ATOM 194 C LYS A 12 -4.205 20.943 -4.072 1.00 40.11 C ATOM 195 O LYS A 12 -4.590 22.107 -3.957 1.00 4.10 O ATOM 196 CB LYS A 12 -2.523 19.777 -2.635 1.00 25.41 C ATOM 197 CG LYS A 12 -2.087 19.860 -1.182 1.00 65.23 C ATOM 198 CD LYS A 12 -0.702 20.473 -1.050 1.00 34.52 C ATOM 199 CE LYS A 12 -0.776 21.978 -0.843 1.00 75.42 C ATOM 200 NZ LYS A 12 -1.518 22.653 -1.944 1.00 32.30 N ATOM 0 H LYS A 12 -4.174 17.968 -2.901 1.00 11.34 H new ATOM 0 HA LYS A 12 -4.402 20.584 -1.974 1.00 11.22 H new ATOM 0 HB2 LYS A 12 -2.292 18.783 -3.019 1.00 25.41 H new ATOM 0 HB3 LYS A 12 -1.941 20.488 -3.221 1.00 25.41 H new ATOM 0 HG2 LYS A 12 -2.805 20.456 -0.619 1.00 65.23 H new ATOM 0 HG3 LYS A 12 -2.088 18.862 -0.743 1.00 65.23 H new ATOM 0 HD2 LYS A 12 -0.179 20.015 -0.211 1.00 34.52 H new ATOM 0 HD3 LYS A 12 -0.120 20.256 -1.946 1.00 34.52 H new ATOM 0 HE2 LYS A 12 -1.265 22.190 0.108 1.00 75.42 H new ATOM 0 HE3 LYS A 12 0.233 22.386 -0.781 1.00 75.42 H new ATOM 0 HZ1 LYS A 12 -1.460 23.684 -1.821 1.00 32.30 H new ATOM 0 HZ2 LYS A 12 -1.098 22.389 -2.858 1.00 32.30 H new ATOM 0 HZ3 LYS A 12 -2.515 22.358 -1.923 1.00 32.30 H new ATOM 214 N LYS A 13 -3.937 20.384 -5.247 1.00 62.11 N ATOM 215 CA LYS A 13 -4.083 21.121 -6.497 1.00 33.51 C ATOM 216 C LYS A 13 -5.471 21.744 -6.601 1.00 53.52 C ATOM 217 O LYS A 13 -5.607 22.959 -6.757 1.00 72.32 O ATOM 218 CB LYS A 13 -3.838 20.195 -7.690 1.00 63.44 C ATOM 219 CG LYS A 13 -2.528 20.464 -8.410 1.00 5.22 C ATOM 220 CD LYS A 13 -1.379 19.690 -7.785 1.00 61.14 C ATOM 221 CE LYS A 13 -0.033 20.185 -8.291 1.00 43.05 C ATOM 222 NZ LYS A 13 0.877 19.059 -8.641 1.00 32.10 N ATOM 0 H LYS A 13 -3.617 19.422 -5.360 1.00 62.11 H new ATOM 0 HA LYS A 13 -3.343 21.921 -6.507 1.00 33.51 H new ATOM 0 HB2 LYS A 13 -3.847 19.161 -7.345 1.00 63.44 H new ATOM 0 HB3 LYS A 13 -4.660 20.302 -8.397 1.00 63.44 H new ATOM 0 HG2 LYS A 13 -2.625 20.188 -9.460 1.00 5.22 H new ATOM 0 HG3 LYS A 13 -2.308 21.531 -8.380 1.00 5.22 H new ATOM 0 HD2 LYS A 13 -1.420 19.789 -6.700 1.00 61.14 H new ATOM 0 HD3 LYS A 13 -1.487 18.630 -8.013 1.00 61.14 H new ATOM 0 HE2 LYS A 13 -0.184 20.815 -9.167 1.00 43.05 H new ATOM 0 HE3 LYS A 13 0.435 20.807 -7.528 1.00 43.05 H new ATOM 0 HZ1 LYS A 13 1.784 19.438 -8.982 1.00 32.10 H new ATOM 0 HZ2 LYS A 13 1.042 18.471 -7.799 1.00 32.10 H new ATOM 0 HZ3 LYS A 13 0.442 18.480 -9.387 1.00 32.10 H new ATOM 236 N LEU A 14 -6.499 20.908 -6.513 1.00 32.42 N ATOM 237 CA LEU A 14 -7.878 21.378 -6.596 1.00 23.44 C ATOM 238 C LEU A 14 -8.124 22.520 -5.615 1.00 24.53 C ATOM 239 O LEU A 14 -8.638 23.574 -5.990 1.00 23.43 O ATOM 240 CB LEU A 14 -8.847 20.229 -6.312 1.00 21.32 C ATOM 241 CG LEU A 14 -9.640 19.707 -7.511 1.00 4.50 C ATOM 242 CD1 LEU A 14 -10.580 18.591 -7.085 1.00 24.52 C ATOM 243 CD2 LEU A 14 -10.416 20.839 -8.169 1.00 72.53 C ATOM 0 H LEU A 14 -6.404 19.901 -6.384 1.00 32.42 H new ATOM 0 HA LEU A 14 -8.049 21.748 -7.607 1.00 23.44 H new ATOM 0 HB2 LEU A 14 -8.281 19.400 -5.887 1.00 21.32 H new ATOM 0 HB3 LEU A 14 -9.554 20.556 -5.549 1.00 21.32 H new ATOM 0 HG LEU A 14 -8.937 19.303 -8.239 1.00 4.50 H new ATOM 0 HD11 LEU A 14 -11.136 18.233 -7.952 1.00 24.52 H new ATOM 0 HD12 LEU A 14 -10.002 17.771 -6.660 1.00 24.52 H new ATOM 0 HD13 LEU A 14 -11.278 18.968 -6.338 1.00 24.52 H new ATOM 0 HD21 LEU A 14 -10.975 20.450 -9.020 1.00 72.53 H new ATOM 0 HD22 LEU A 14 -11.109 21.273 -7.448 1.00 72.53 H new ATOM 0 HD23 LEU A 14 -9.721 21.606 -8.511 1.00 72.53 H new ATOM 255 N TYR A 15 -7.751 22.303 -4.358 1.00 53.41 N ATOM 256 CA TYR A 15 -7.932 23.314 -3.323 1.00 5.30 C ATOM 257 C TYR A 15 -7.330 24.649 -3.754 1.00 31.51 C ATOM 258 O TYR A 15 -8.039 25.645 -3.900 1.00 23.23 O ATOM 259 CB TYR A 15 -7.291 22.853 -2.013 1.00 22.21 C ATOM 260 CG TYR A 15 -7.321 23.900 -0.923 1.00 25.25 C ATOM 261 CD1 TYR A 15 -6.324 24.863 -0.829 1.00 64.13 C ATOM 262 CD2 TYR A 15 -8.347 23.926 0.014 1.00 4.32 C ATOM 263 CE1 TYR A 15 -6.347 25.821 0.166 1.00 65.22 C ATOM 264 CE2 TYR A 15 -8.378 24.881 1.012 1.00 54.41 C ATOM 265 CZ TYR A 15 -7.376 25.826 1.084 1.00 41.12 C ATOM 266 OH TYR A 15 -7.403 26.779 2.076 1.00 51.53 O ATOM 0 H TYR A 15 -7.322 21.437 -4.032 1.00 53.41 H new ATOM 0 HA TYR A 15 -9.002 23.451 -3.168 1.00 5.30 H new ATOM 0 HB2 TYR A 15 -7.806 21.959 -1.661 1.00 22.21 H new ATOM 0 HB3 TYR A 15 -6.256 22.570 -2.205 1.00 22.21 H new ATOM 0 HD1 TYR A 15 -5.517 24.863 -1.546 1.00 64.13 H new ATOM 0 HD2 TYR A 15 -9.133 23.187 -0.039 1.00 4.32 H new ATOM 0 HE1 TYR A 15 -5.563 26.562 0.225 1.00 65.22 H new ATOM 0 HE2 TYR A 15 -9.183 24.887 1.732 1.00 54.41 H new ATOM 0 HH TYR A 15 -8.194 26.644 2.638 1.00 51.53 H new ATOM 276 N LYS A 16 -6.017 24.660 -3.957 1.00 51.00 N ATOM 277 CA LYS A 16 -5.317 25.870 -4.373 1.00 74.44 C ATOM 278 C LYS A 16 -5.970 26.477 -5.611 1.00 11.11 C ATOM 279 O LYS A 16 -6.131 27.694 -5.707 1.00 35.14 O ATOM 280 CB LYS A 16 -3.846 25.560 -4.660 1.00 34.52 C ATOM 281 CG LYS A 16 -2.880 26.307 -3.757 1.00 52.23 C ATOM 282 CD LYS A 16 -3.086 27.810 -3.844 1.00 44.33 C ATOM 283 CE LYS A 16 -1.760 28.548 -3.958 1.00 55.21 C ATOM 284 NZ LYS A 16 -1.127 28.348 -5.291 1.00 23.13 N ATOM 0 H LYS A 16 -5.416 23.844 -3.840 1.00 51.00 H new ATOM 0 HA LYS A 16 -5.378 26.593 -3.559 1.00 74.44 H new ATOM 0 HB2 LYS A 16 -3.681 24.488 -4.548 1.00 34.52 H new ATOM 0 HB3 LYS A 16 -3.627 25.809 -5.698 1.00 34.52 H new ATOM 0 HG2 LYS A 16 -3.016 25.979 -2.726 1.00 52.23 H new ATOM 0 HG3 LYS A 16 -1.855 26.062 -4.037 1.00 52.23 H new ATOM 0 HD2 LYS A 16 -3.709 28.044 -4.707 1.00 44.33 H new ATOM 0 HD3 LYS A 16 -3.622 28.157 -2.961 1.00 44.33 H new ATOM 0 HE2 LYS A 16 -1.921 29.613 -3.789 1.00 55.21 H new ATOM 0 HE3 LYS A 16 -1.082 28.200 -3.178 1.00 55.21 H new ATOM 0 HZ1 LYS A 16 -0.340 29.018 -5.406 1.00 23.13 H new ATOM 0 HZ2 LYS A 16 -0.766 27.375 -5.361 1.00 23.13 H new ATOM 0 HZ3 LYS A 16 -1.832 28.511 -6.038 1.00 23.13 H new ATOM 298 N LYS A 17 -6.345 25.622 -6.556 1.00 52.23 N ATOM 299 CA LYS A 17 -6.983 26.074 -7.787 1.00 73.42 C ATOM 300 C LYS A 17 -8.235 26.891 -7.483 1.00 61.23 C ATOM 301 O LYS A 17 -8.395 28.006 -7.977 1.00 42.12 O ATOM 302 CB LYS A 17 -7.345 24.875 -8.667 1.00 52.15 C ATOM 303 CG LYS A 17 -6.233 24.457 -9.613 1.00 44.12 C ATOM 304 CD LYS A 17 -6.778 23.722 -10.826 1.00 14.01 C ATOM 305 CE LYS A 17 -5.663 23.293 -11.767 1.00 4.35 C ATOM 306 NZ LYS A 17 -5.742 21.843 -12.097 1.00 0.42 N ATOM 0 H LYS A 17 -6.218 24.612 -6.493 1.00 52.23 H new ATOM 0 HA LYS A 17 -6.277 26.710 -8.321 1.00 73.42 H new ATOM 0 HB2 LYS A 17 -7.603 24.031 -8.028 1.00 52.15 H new ATOM 0 HB3 LYS A 17 -8.234 25.118 -9.249 1.00 52.15 H new ATOM 0 HG2 LYS A 17 -5.681 25.339 -9.939 1.00 44.12 H new ATOM 0 HG3 LYS A 17 -5.527 23.816 -9.085 1.00 44.12 H new ATOM 0 HD2 LYS A 17 -7.338 22.845 -10.500 1.00 14.01 H new ATOM 0 HD3 LYS A 17 -7.477 24.366 -11.359 1.00 14.01 H new ATOM 0 HE2 LYS A 17 -5.718 23.878 -12.685 1.00 4.35 H new ATOM 0 HE3 LYS A 17 -4.698 23.509 -11.309 1.00 4.35 H new ATOM 0 HZ1 LYS A 17 -4.965 21.591 -12.740 1.00 0.42 H new ATOM 0 HZ2 LYS A 17 -5.664 21.283 -11.224 1.00 0.42 H new ATOM 0 HZ3 LYS A 17 -6.652 21.641 -12.558 1.00 0.42 H new ATOM 320 N GLY A 18 -9.120 26.328 -6.666 1.00 3.24 N ATOM 321 CA GLY A 18 -10.345 27.020 -6.309 1.00 63.20 C ATOM 322 C GLY A 18 -10.085 28.300 -5.540 1.00 20.23 C ATOM 323 O GLY A 18 -10.616 29.357 -5.881 1.00 10.03 O ATOM 0 H GLY A 18 -9.011 25.405 -6.245 1.00 3.24 H new ATOM 0 HA2 GLY A 18 -10.905 27.252 -7.215 1.00 63.20 H new ATOM 0 HA3 GLY A 18 -10.970 26.359 -5.708 1.00 63.20 H new ATOM 327 N LYS A 19 -9.267 28.206 -4.497 1.00 62.10 N ATOM 328 CA LYS A 19 -8.937 29.365 -3.676 1.00 31.43 C ATOM 329 C LYS A 19 -8.460 30.527 -4.541 1.00 22.31 C ATOM 330 O LYS A 19 -9.027 31.619 -4.500 1.00 25.14 O ATOM 331 CB LYS A 19 -7.859 29.000 -2.653 1.00 0.24 C ATOM 332 CG LYS A 19 -7.997 29.741 -1.334 1.00 20.23 C ATOM 333 CD LYS A 19 -6.951 30.834 -1.196 1.00 50.30 C ATOM 334 CE LYS A 19 -7.592 32.190 -0.941 1.00 71.15 C ATOM 335 NZ LYS A 19 -8.551 32.145 0.197 1.00 71.01 N ATOM 0 H LYS A 19 -8.820 27.338 -4.200 1.00 62.10 H new ATOM 0 HA LYS A 19 -9.840 29.675 -3.149 1.00 31.43 H new ATOM 0 HB2 LYS A 19 -7.898 27.927 -2.463 1.00 0.24 H new ATOM 0 HB3 LYS A 19 -6.879 29.213 -3.079 1.00 0.24 H new ATOM 0 HG2 LYS A 19 -8.993 30.178 -1.264 1.00 20.23 H new ATOM 0 HG3 LYS A 19 -7.899 29.037 -0.508 1.00 20.23 H new ATOM 0 HD2 LYS A 19 -6.275 30.590 -0.377 1.00 50.30 H new ATOM 0 HD3 LYS A 19 -6.349 30.880 -2.104 1.00 50.30 H new ATOM 0 HE2 LYS A 19 -6.815 32.925 -0.732 1.00 71.15 H new ATOM 0 HE3 LYS A 19 -8.111 32.521 -1.840 1.00 71.15 H new ATOM 0 HZ1 LYS A 19 -8.540 33.057 0.696 1.00 71.01 H new ATOM 0 HZ2 LYS A 19 -9.509 31.958 -0.163 1.00 71.01 H new ATOM 0 HZ3 LYS A 19 -8.275 31.388 0.854 1.00 71.01 H new ATOM 349 N LYS A 20 -7.415 30.284 -5.325 1.00 51.23 N ATOM 350 CA LYS A 20 -6.863 31.309 -6.203 1.00 63.02 C ATOM 351 C LYS A 20 -7.926 31.835 -7.162 1.00 0.11 C ATOM 352 O LYS A 20 -7.868 32.985 -7.600 1.00 4.05 O ATOM 353 CB LYS A 20 -5.680 30.748 -6.995 1.00 64.41 C ATOM 354 CG LYS A 20 -4.499 30.351 -6.126 1.00 0.14 C ATOM 355 CD LYS A 20 -3.669 31.560 -5.727 1.00 70.12 C ATOM 356 CE LYS A 20 -2.426 31.693 -6.594 1.00 21.44 C ATOM 357 NZ LYS A 20 -2.586 32.744 -7.636 1.00 0.01 N ATOM 0 H LYS A 20 -6.933 29.386 -5.370 1.00 51.23 H new ATOM 0 HA LYS A 20 -6.518 32.136 -5.582 1.00 63.02 H new ATOM 0 HB2 LYS A 20 -6.013 29.878 -7.561 1.00 64.41 H new ATOM 0 HB3 LYS A 20 -5.353 31.493 -7.720 1.00 64.41 H new ATOM 0 HG2 LYS A 20 -4.859 29.844 -5.231 1.00 0.14 H new ATOM 0 HG3 LYS A 20 -3.872 29.640 -6.665 1.00 0.14 H new ATOM 0 HD2 LYS A 20 -4.274 32.463 -5.815 1.00 70.12 H new ATOM 0 HD3 LYS A 20 -3.377 31.473 -4.681 1.00 70.12 H new ATOM 0 HE2 LYS A 20 -1.569 31.933 -5.965 1.00 21.44 H new ATOM 0 HE3 LYS A 20 -2.213 30.737 -7.072 1.00 21.44 H new ATOM 0 HZ1 LYS A 20 -1.718 32.803 -8.205 1.00 0.01 H new ATOM 0 HZ2 LYS A 20 -3.388 32.503 -8.252 1.00 0.01 H new ATOM 0 HZ3 LYS A 20 -2.764 33.661 -7.179 1.00 0.01 H new ATOM 371 N LEU A 21 -8.897 30.988 -7.484 1.00 32.24 N ATOM 372 CA LEU A 21 -9.975 31.368 -8.390 1.00 13.13 C ATOM 373 C LEU A 21 -11.051 32.160 -7.654 1.00 12.22 C ATOM 374 O LEU A 21 -11.864 32.846 -8.273 1.00 52.04 O ATOM 375 CB LEU A 21 -10.591 30.124 -9.032 1.00 34.34 C ATOM 376 CG LEU A 21 -10.149 29.818 -10.463 1.00 53.11 C ATOM 377 CD1 LEU A 21 -10.696 30.861 -11.425 1.00 14.20 C ATOM 378 CD2 LEU A 21 -8.631 29.754 -10.550 1.00 74.32 C ATOM 0 H LEU A 21 -8.960 30.033 -7.131 1.00 32.24 H new ATOM 0 HA LEU A 21 -9.554 32.001 -9.171 1.00 13.13 H new ATOM 0 HB2 LEU A 21 -10.354 29.262 -8.408 1.00 34.34 H new ATOM 0 HB3 LEU A 21 -11.675 30.235 -9.024 1.00 34.34 H new ATOM 0 HG LEU A 21 -10.551 28.845 -10.747 1.00 53.11 H new ATOM 0 HD11 LEU A 21 -10.371 30.627 -12.439 1.00 14.20 H new ATOM 0 HD12 LEU A 21 -11.785 30.859 -11.383 1.00 14.20 H new ATOM 0 HD13 LEU A 21 -10.324 31.846 -11.143 1.00 14.20 H new ATOM 0 HD21 LEU A 21 -8.334 29.535 -11.576 1.00 74.32 H new ATOM 0 HD22 LEU A 21 -8.208 30.712 -10.246 1.00 74.32 H new ATOM 0 HD23 LEU A 21 -8.262 28.969 -9.890 1.00 74.32 H new ATOM 390 N SER A 22 -11.048 32.062 -6.328 1.00 53.32 N ATOM 391 CA SER A 22 -12.025 32.768 -5.507 1.00 51.44 C ATOM 392 C SER A 22 -11.992 34.267 -5.792 1.00 72.14 C ATOM 393 O SER A 22 -13.003 34.958 -5.663 1.00 40.03 O ATOM 394 CB SER A 22 -11.755 32.514 -4.023 1.00 43.03 C ATOM 395 OG SER A 22 -10.791 33.421 -3.518 1.00 3.33 O ATOM 0 H SER A 22 -10.380 31.501 -5.800 1.00 53.32 H new ATOM 0 HA SER A 22 -13.016 32.389 -5.759 1.00 51.44 H new ATOM 0 HB2 SER A 22 -12.683 32.613 -3.459 1.00 43.03 H new ATOM 0 HB3 SER A 22 -11.405 31.491 -3.884 1.00 43.03 H new ATOM 0 HG SER A 22 -9.891 33.077 -3.700 1.00 3.33 H new ATOM 401 N LYS A 23 -10.823 34.763 -6.181 1.00 44.21 N ATOM 402 CA LYS A 23 -10.655 36.179 -6.486 1.00 52.13 C ATOM 403 C LYS A 23 -11.546 36.593 -7.653 1.00 42.24 C ATOM 404 O LYS A 23 -11.869 37.769 -7.813 1.00 1.44 O ATOM 405 CB LYS A 23 -9.192 36.481 -6.816 1.00 5.44 C ATOM 406 CG LYS A 23 -8.756 35.970 -8.178 1.00 35.30 C ATOM 407 CD LYS A 23 -7.262 36.144 -8.388 1.00 3.12 C ATOM 408 CE LYS A 23 -6.938 37.503 -8.990 1.00 31.22 C ATOM 409 NZ LYS A 23 -7.548 37.672 -10.338 1.00 30.32 N ATOM 0 H LYS A 23 -9.977 34.205 -6.293 1.00 44.21 H new ATOM 0 HA LYS A 23 -10.948 36.752 -5.606 1.00 52.13 H new ATOM 0 HB2 LYS A 23 -9.034 37.559 -6.774 1.00 5.44 H new ATOM 0 HB3 LYS A 23 -8.557 36.036 -6.050 1.00 5.44 H new ATOM 0 HG2 LYS A 23 -9.017 34.916 -8.272 1.00 35.30 H new ATOM 0 HG3 LYS A 23 -9.298 36.504 -8.958 1.00 35.30 H new ATOM 0 HD2 LYS A 23 -6.744 36.034 -7.435 1.00 3.12 H new ATOM 0 HD3 LYS A 23 -6.892 35.357 -9.044 1.00 3.12 H new ATOM 0 HE2 LYS A 23 -7.299 38.289 -8.327 1.00 31.22 H new ATOM 0 HE3 LYS A 23 -5.857 37.619 -9.063 1.00 31.22 H new ATOM 0 HZ1 LYS A 23 -6.971 38.329 -10.900 1.00 30.32 H new ATOM 0 HZ2 LYS A 23 -7.590 36.750 -10.818 1.00 30.32 H new ATOM 0 HZ3 LYS A 23 -8.510 38.055 -10.238 1.00 30.32 H new ATOM 423 N ASN A 24 -11.940 35.618 -8.466 1.00 11.11 N ATOM 424 CA ASN A 24 -12.795 35.882 -9.618 1.00 24.10 C ATOM 425 C ASN A 24 -14.194 36.297 -9.174 1.00 3.43 C ATOM 426 O ASN A 24 -14.968 35.479 -8.677 1.00 12.41 O ATOM 427 CB ASN A 24 -12.878 34.643 -10.512 1.00 30.24 C ATOM 428 CG ASN A 24 -12.938 34.996 -11.985 1.00 74.33 C ATOM 429 OD1 ASN A 24 -13.919 34.696 -12.667 1.00 64.11 O ATOM 430 ND2 ASN A 24 -11.887 35.636 -12.484 1.00 31.03 N ATOM 0 H ASN A 24 -11.681 34.638 -8.349 1.00 11.11 H new ATOM 0 HA ASN A 24 -12.355 36.702 -10.185 1.00 24.10 H new ATOM 0 HB2 ASN A 24 -12.012 34.007 -10.329 1.00 30.24 H new ATOM 0 HB3 ASN A 24 -13.761 34.063 -10.244 1.00 30.24 H new ATOM 0 HD21 ASN A 24 -11.871 35.899 -13.469 1.00 31.03 H new ATOM 0 HD22 ASN A 24 -11.096 35.864 -11.882 1.00 31.03 H new ATOM 437 N LYS A 25 -14.512 37.574 -9.357 1.00 4.54 N ATOM 438 CA LYS A 25 -15.818 38.100 -8.977 1.00 44.33 C ATOM 439 C LYS A 25 -16.860 37.792 -10.047 1.00 70.13 C ATOM 440 O LYS A 25 -18.025 37.544 -9.739 1.00 23.42 O ATOM 441 CB LYS A 25 -15.736 39.612 -8.751 1.00 24.54 C ATOM 442 CG LYS A 25 -16.459 40.079 -7.500 1.00 14.12 C ATOM 443 CD LYS A 25 -16.862 41.541 -7.602 1.00 75.52 C ATOM 444 CE LYS A 25 -17.086 42.155 -6.229 1.00 22.33 C ATOM 445 NZ LYS A 25 -18.332 41.648 -5.590 1.00 61.43 N ATOM 0 H LYS A 25 -13.883 38.264 -9.766 1.00 4.54 H new ATOM 0 HA LYS A 25 -16.121 37.616 -8.049 1.00 44.33 H new ATOM 0 HB2 LYS A 25 -14.688 39.905 -8.686 1.00 24.54 H new ATOM 0 HB3 LYS A 25 -16.157 40.124 -9.616 1.00 24.54 H new ATOM 0 HG2 LYS A 25 -17.346 39.466 -7.341 1.00 14.12 H new ATOM 0 HG3 LYS A 25 -15.815 39.938 -6.632 1.00 14.12 H new ATOM 0 HD2 LYS A 25 -16.086 42.097 -8.128 1.00 75.52 H new ATOM 0 HD3 LYS A 25 -17.773 41.628 -8.194 1.00 75.52 H new ATOM 0 HE2 LYS A 25 -16.233 41.932 -5.588 1.00 22.33 H new ATOM 0 HE3 LYS A 25 -17.141 43.240 -6.321 1.00 22.33 H new ATOM 0 HZ1 LYS A 25 -18.448 42.091 -4.656 1.00 61.43 H new ATOM 0 HZ2 LYS A 25 -19.149 41.883 -6.189 1.00 61.43 H new ATOM 0 HZ3 LYS A 25 -18.270 40.616 -5.478 1.00 61.43 H new ATOM 459 N ASN A 26 -16.433 37.808 -11.306 1.00 5.34 N ATOM 460 CA ASN A 26 -17.330 37.529 -12.421 1.00 45.32 C ATOM 461 C ASN A 26 -17.987 36.162 -12.262 1.00 30.12 C ATOM 462 O ASN A 26 -19.173 35.994 -12.547 1.00 0.20 O ATOM 463 CB ASN A 26 -16.564 37.589 -13.745 1.00 35.50 C ATOM 464 CG ASN A 26 -16.001 38.968 -14.026 1.00 3.14 C ATOM 465 OD1 ASN A 26 -16.048 39.855 -13.173 1.00 41.35 O ATOM 466 ND2 ASN A 26 -15.464 39.155 -15.226 1.00 24.43 N ATOM 0 H ASN A 26 -15.471 38.011 -11.579 1.00 5.34 H new ATOM 0 HA ASN A 26 -18.111 38.289 -12.426 1.00 45.32 H new ATOM 0 HB2 ASN A 26 -15.750 36.865 -13.723 1.00 35.50 H new ATOM 0 HB3 ASN A 26 -17.228 37.298 -14.559 1.00 35.50 H new ATOM 0 HD21 ASN A 26 -15.069 40.063 -15.472 1.00 24.43 H new ATOM 0 HD22 ASN A 26 -15.447 38.391 -15.902 1.00 24.43 H new ATOM 473 N PHE A 27 -17.209 35.187 -11.804 1.00 3.04 N ATOM 474 CA PHE A 27 -17.715 33.834 -11.606 1.00 63.32 C ATOM 475 C PHE A 27 -18.712 33.789 -10.452 1.00 72.13 C ATOM 476 O PHE A 27 -19.825 33.282 -10.597 1.00 62.22 O ATOM 477 CB PHE A 27 -16.559 32.869 -11.334 1.00 22.05 C ATOM 478 CG PHE A 27 -16.879 31.826 -10.301 1.00 51.21 C ATOM 479 CD1 PHE A 27 -17.795 30.822 -10.572 1.00 44.11 C ATOM 480 CD2 PHE A 27 -16.265 31.850 -9.059 1.00 50.42 C ATOM 481 CE1 PHE A 27 -18.091 29.861 -9.624 1.00 74.34 C ATOM 482 CE2 PHE A 27 -16.557 30.892 -8.108 1.00 35.52 C ATOM 483 CZ PHE A 27 -17.473 29.896 -8.390 1.00 44.32 C ATOM 0 H PHE A 27 -16.225 35.309 -11.563 1.00 3.04 H new ATOM 0 HA PHE A 27 -18.228 33.528 -12.518 1.00 63.32 H new ATOM 0 HB2 PHE A 27 -16.283 32.374 -12.265 1.00 22.05 H new ATOM 0 HB3 PHE A 27 -15.690 33.439 -11.006 1.00 22.05 H new ATOM 0 HD1 PHE A 27 -18.283 30.790 -11.535 1.00 44.11 H new ATOM 0 HD2 PHE A 27 -15.550 32.627 -8.832 1.00 50.42 H new ATOM 0 HE1 PHE A 27 -18.806 29.083 -9.848 1.00 74.34 H new ATOM 0 HE2 PHE A 27 -16.070 30.921 -7.145 1.00 35.52 H new ATOM 0 HZ PHE A 27 -17.705 29.147 -7.647 1.00 44.32 H new ATOM 493 N LYS A 28 -18.306 34.323 -9.306 1.00 24.14 N ATOM 494 CA LYS A 28 -19.162 34.346 -8.126 1.00 23.24 C ATOM 495 C LYS A 28 -20.465 35.085 -8.413 1.00 61.41 C ATOM 496 O LYS A 28 -21.553 34.556 -8.186 1.00 55.11 O ATOM 497 CB LYS A 28 -18.434 35.011 -6.955 1.00 22.51 C ATOM 498 CG LYS A 28 -17.083 34.388 -6.647 1.00 1.55 C ATOM 499 CD LYS A 28 -17.230 33.103 -5.849 1.00 43.50 C ATOM 500 CE LYS A 28 -17.748 33.375 -4.445 1.00 61.00 C ATOM 501 NZ LYS A 28 -19.159 32.929 -4.279 1.00 10.23 N ATOM 0 H LYS A 28 -17.388 34.746 -9.169 1.00 24.14 H new ATOM 0 HA LYS A 28 -19.400 33.316 -7.861 1.00 23.24 H new ATOM 0 HB2 LYS A 28 -18.295 36.069 -7.178 1.00 22.51 H new ATOM 0 HB3 LYS A 28 -19.063 34.953 -6.067 1.00 22.51 H new ATOM 0 HG2 LYS A 28 -16.556 34.181 -7.578 1.00 1.55 H new ATOM 0 HG3 LYS A 28 -16.473 35.097 -6.087 1.00 1.55 H new ATOM 0 HD2 LYS A 28 -17.913 32.429 -6.366 1.00 43.50 H new ATOM 0 HD3 LYS A 28 -16.266 32.597 -5.791 1.00 43.50 H new ATOM 0 HE2 LYS A 28 -17.117 32.862 -3.719 1.00 61.00 H new ATOM 0 HE3 LYS A 28 -17.677 34.442 -4.232 1.00 61.00 H new ATOM 0 HZ1 LYS A 28 -19.614 33.488 -3.529 1.00 10.23 H new ATOM 0 HZ2 LYS A 28 -19.673 33.065 -5.173 1.00 10.23 H new ATOM 0 HZ3 LYS A 28 -19.177 31.922 -4.019 1.00 10.23 H new ATOM 515 N LYS A 29 -20.347 36.309 -8.915 1.00 51.12 N ATOM 516 CA LYS A 29 -21.515 37.120 -9.237 1.00 12.30 C ATOM 517 C LYS A 29 -22.404 36.415 -10.257 1.00 24.45 C ATOM 518 O LYS A 29 -23.618 36.328 -10.081 1.00 14.14 O ATOM 519 CB LYS A 29 -21.081 38.484 -9.780 1.00 71.40 C ATOM 520 CG LYS A 29 -21.874 39.646 -9.208 1.00 44.44 C ATOM 521 CD LYS A 29 -21.554 39.871 -7.740 1.00 30.31 C ATOM 522 CE LYS A 29 -22.479 40.907 -7.120 1.00 43.32 C ATOM 523 NZ LYS A 29 -22.483 40.828 -5.633 1.00 75.02 N ATOM 0 H LYS A 29 -19.454 36.762 -9.108 1.00 51.12 H new ATOM 0 HA LYS A 29 -22.088 37.265 -8.321 1.00 12.30 H new ATOM 0 HB2 LYS A 29 -20.024 38.633 -9.561 1.00 71.40 H new ATOM 0 HB3 LYS A 29 -21.184 38.483 -10.865 1.00 71.40 H new ATOM 0 HG2 LYS A 29 -21.652 40.552 -9.773 1.00 44.44 H new ATOM 0 HG3 LYS A 29 -22.940 39.452 -9.323 1.00 44.44 H new ATOM 0 HD2 LYS A 29 -21.645 38.930 -7.198 1.00 30.31 H new ATOM 0 HD3 LYS A 29 -20.519 40.198 -7.638 1.00 30.31 H new ATOM 0 HE2 LYS A 29 -22.167 41.904 -7.430 1.00 43.32 H new ATOM 0 HE3 LYS A 29 -23.492 40.760 -7.494 1.00 43.32 H new ATOM 0 HZ1 LYS A 29 -23.125 41.550 -5.249 1.00 75.02 H new ATOM 0 HZ2 LYS A 29 -22.805 39.885 -5.336 1.00 75.02 H new ATOM 0 HZ3 LYS A 29 -21.521 40.994 -5.274 1.00 75.02 H new ATOM 537 N ALA A 30 -21.789 35.911 -11.322 1.00 30.43 N ATOM 538 CA ALA A 30 -22.524 35.209 -12.367 1.00 41.41 C ATOM 539 C ALA A 30 -23.409 34.117 -11.777 1.00 74.03 C ATOM 540 O ALA A 30 -24.630 34.137 -11.942 1.00 31.34 O ATOM 541 CB ALA A 30 -21.559 34.618 -13.384 1.00 74.13 C ATOM 0 H ALA A 30 -20.784 35.976 -11.484 1.00 30.43 H new ATOM 0 HA ALA A 30 -23.169 35.929 -12.870 1.00 41.41 H new ATOM 0 HB1 ALA A 30 -22.121 34.097 -14.159 1.00 74.13 H new ATOM 0 HB2 ALA A 30 -20.973 35.418 -13.837 1.00 74.13 H new ATOM 0 HB3 ALA A 30 -20.891 33.916 -12.886 1.00 74.13 H new ATOM 547 N LEU A 31 -22.788 33.165 -11.091 1.00 22.41 N ATOM 548 CA LEU A 31 -23.520 32.062 -10.477 1.00 1.34 C ATOM 549 C LEU A 31 -24.641 32.584 -9.583 1.00 24.01 C ATOM 550 O LEU A 31 -25.809 32.248 -9.774 1.00 35.42 O ATOM 551 CB LEU A 31 -22.569 31.184 -9.662 1.00 11.15 C ATOM 552 CG LEU A 31 -23.209 30.009 -8.921 1.00 12.41 C ATOM 553 CD1 LEU A 31 -23.719 28.970 -9.907 1.00 51.45 C ATOM 554 CD2 LEU A 31 -22.216 29.385 -7.952 1.00 21.03 C ATOM 0 H LEU A 31 -21.779 33.134 -10.945 1.00 22.41 H new ATOM 0 HA LEU A 31 -23.964 31.464 -11.273 1.00 1.34 H new ATOM 0 HB2 LEU A 31 -21.804 30.792 -10.332 1.00 11.15 H new ATOM 0 HB3 LEU A 31 -22.060 31.814 -8.932 1.00 11.15 H new ATOM 0 HG LEU A 31 -24.058 30.384 -8.349 1.00 12.41 H new ATOM 0 HD11 LEU A 31 -24.171 28.142 -9.361 1.00 51.45 H new ATOM 0 HD12 LEU A 31 -24.464 29.424 -10.561 1.00 51.45 H new ATOM 0 HD13 LEU A 31 -22.888 28.599 -10.507 1.00 51.45 H new ATOM 0 HD21 LEU A 31 -22.689 28.551 -7.434 1.00 21.03 H new ATOM 0 HD22 LEU A 31 -21.347 29.025 -8.503 1.00 21.03 H new ATOM 0 HD23 LEU A 31 -21.900 30.132 -7.224 1.00 21.03 H new ATOM 566 N LYS A 32 -24.277 33.410 -8.607 1.00 64.55 N ATOM 567 CA LYS A 32 -25.250 33.982 -7.685 1.00 75.35 C ATOM 568 C LYS A 32 -26.423 34.595 -8.444 1.00 71.02 C ATOM 569 O LYS A 32 -27.583 34.381 -8.092 1.00 13.10 O ATOM 570 CB LYS A 32 -24.588 35.044 -6.805 1.00 65.42 C ATOM 571 CG LYS A 32 -24.208 34.538 -5.424 1.00 14.41 C ATOM 572 CD LYS A 32 -25.402 34.538 -4.483 1.00 62.04 C ATOM 573 CE LYS A 32 -24.965 34.472 -3.028 1.00 45.11 C ATOM 574 NZ LYS A 32 -24.885 35.825 -2.411 1.00 11.01 N ATOM 0 H LYS A 32 -23.314 33.698 -8.435 1.00 64.55 H new ATOM 0 HA LYS A 32 -25.628 33.179 -7.052 1.00 75.35 H new ATOM 0 HB2 LYS A 32 -23.693 35.413 -7.306 1.00 65.42 H new ATOM 0 HB3 LYS A 32 -25.266 35.890 -6.699 1.00 65.42 H new ATOM 0 HG2 LYS A 32 -23.806 33.528 -5.503 1.00 14.41 H new ATOM 0 HG3 LYS A 32 -23.417 35.164 -5.011 1.00 14.41 H new ATOM 0 HD2 LYS A 32 -25.995 35.438 -4.645 1.00 62.04 H new ATOM 0 HD3 LYS A 32 -26.045 33.688 -4.710 1.00 62.04 H new ATOM 0 HE2 LYS A 32 -25.668 33.857 -2.465 1.00 45.11 H new ATOM 0 HE3 LYS A 32 -23.992 33.985 -2.963 1.00 45.11 H new ATOM 0 HZ1 LYS A 32 -24.584 35.737 -1.419 1.00 11.01 H new ATOM 0 HZ2 LYS A 32 -24.196 36.404 -2.932 1.00 11.01 H new ATOM 0 HZ3 LYS A 32 -25.819 36.280 -2.450 1.00 11.01 H new ATOM 588 N PHE A 33 -26.113 35.357 -9.488 1.00 30.11 N ATOM 589 CA PHE A 33 -27.141 36.001 -10.297 1.00 35.32 C ATOM 590 C PHE A 33 -28.114 34.969 -10.862 1.00 3.30 C ATOM 591 O PHE A 33 -29.304 34.985 -10.550 1.00 5.15 O ATOM 592 CB PHE A 33 -26.501 36.793 -11.438 1.00 42.31 C ATOM 593 CG PHE A 33 -26.696 38.278 -11.320 1.00 63.11 C ATOM 594 CD1 PHE A 33 -27.959 38.810 -11.122 1.00 55.53 C ATOM 595 CD2 PHE A 33 -25.615 39.141 -11.406 1.00 72.15 C ATOM 596 CE1 PHE A 33 -28.142 40.176 -11.014 1.00 45.23 C ATOM 597 CE2 PHE A 33 -25.791 40.508 -11.299 1.00 31.43 C ATOM 598 CZ PHE A 33 -27.056 41.026 -11.101 1.00 61.23 C ATOM 0 H PHE A 33 -25.158 35.543 -9.793 1.00 30.11 H new ATOM 0 HA PHE A 33 -27.696 36.686 -9.656 1.00 35.32 H new ATOM 0 HB2 PHE A 33 -25.433 36.576 -11.466 1.00 42.31 H new ATOM 0 HB3 PHE A 33 -26.920 36.454 -12.385 1.00 42.31 H new ATOM 0 HD1 PHE A 33 -28.811 38.150 -11.051 1.00 55.53 H new ATOM 0 HD2 PHE A 33 -24.623 38.741 -11.558 1.00 72.15 H new ATOM 0 HE1 PHE A 33 -29.133 40.578 -10.862 1.00 45.23 H new ATOM 0 HE2 PHE A 33 -24.941 41.170 -11.370 1.00 31.43 H new ATOM 0 HZ PHE A 33 -27.196 42.093 -11.014 1.00 61.23 H new ATOM 608 N GLY A 34 -27.597 34.073 -11.697 1.00 51.03 N ATOM 609 CA GLY A 34 -28.432 33.047 -12.294 1.00 13.11 C ATOM 610 C GLY A 34 -29.202 32.251 -11.258 1.00 42.34 C ATOM 611 O GLY A 34 -30.408 32.044 -11.394 1.00 1.25 O ATOM 0 H GLY A 34 -26.615 34.039 -11.971 1.00 51.03 H new ATOM 0 HA2 GLY A 34 -29.134 33.512 -12.986 1.00 13.11 H new ATOM 0 HA3 GLY A 34 -27.809 32.370 -12.878 1.00 13.11 H new ATOM 615 N LYS A 35 -28.503 31.802 -10.221 1.00 75.12 N ATOM 616 CA LYS A 35 -29.127 31.023 -9.158 1.00 13.53 C ATOM 617 C LYS A 35 -30.367 31.732 -8.620 1.00 63.23 C ATOM 618 O LYS A 35 -31.476 31.205 -8.700 1.00 11.24 O ATOM 619 CB LYS A 35 -28.131 30.784 -8.021 1.00 62.23 C ATOM 620 CG LYS A 35 -28.396 29.509 -7.239 1.00 3.33 C ATOM 621 CD LYS A 35 -27.913 29.626 -5.803 1.00 2.03 C ATOM 622 CE LYS A 35 -28.483 28.517 -4.931 1.00 43.42 C ATOM 623 NZ LYS A 35 -27.831 28.474 -3.593 1.00 34.13 N ATOM 0 H LYS A 35 -27.504 31.964 -10.094 1.00 75.12 H new ATOM 0 HA LYS A 35 -29.431 30.063 -9.576 1.00 13.53 H new ATOM 0 HB2 LYS A 35 -27.123 30.744 -8.434 1.00 62.23 H new ATOM 0 HB3 LYS A 35 -28.162 31.633 -7.338 1.00 62.23 H new ATOM 0 HG2 LYS A 35 -29.464 29.291 -7.248 1.00 3.33 H new ATOM 0 HG3 LYS A 35 -27.895 28.672 -7.725 1.00 3.33 H new ATOM 0 HD2 LYS A 35 -26.824 29.585 -5.780 1.00 2.03 H new ATOM 0 HD3 LYS A 35 -28.204 30.595 -5.398 1.00 2.03 H new ATOM 0 HE2 LYS A 35 -29.556 28.667 -4.808 1.00 43.42 H new ATOM 0 HE3 LYS A 35 -28.350 27.557 -5.431 1.00 43.42 H new ATOM 0 HZ1 LYS A 35 -28.247 27.706 -3.029 1.00 34.13 H new ATOM 0 HZ2 LYS A 35 -26.811 28.306 -3.709 1.00 34.13 H new ATOM 0 HZ3 LYS A 35 -27.979 29.381 -3.105 1.00 34.13 H new ATOM 637 N GLN A 36 -30.170 32.928 -8.075 1.00 65.05 N ATOM 638 CA GLN A 36 -31.272 33.708 -7.526 1.00 74.21 C ATOM 639 C GLN A 36 -32.300 34.032 -8.605 1.00 50.53 C ATOM 640 O GLN A 36 -33.477 34.246 -8.312 1.00 73.33 O ATOM 641 CB GLN A 36 -30.748 35.001 -6.899 1.00 61.31 C ATOM 642 CG GLN A 36 -30.609 34.931 -5.387 1.00 24.41 C ATOM 643 CD GLN A 36 -29.432 34.082 -4.948 1.00 45.01 C ATOM 644 OE1 GLN A 36 -28.552 33.759 -5.747 1.00 72.22 O ATOM 645 NE2 GLN A 36 -29.408 33.716 -3.672 1.00 14.12 N ATOM 0 H GLN A 36 -29.257 33.378 -8.002 1.00 65.05 H new ATOM 0 HA GLN A 36 -31.758 33.110 -6.755 1.00 74.21 H new ATOM 0 HB2 GLN A 36 -29.777 35.239 -7.334 1.00 61.31 H new ATOM 0 HB3 GLN A 36 -31.421 35.819 -7.156 1.00 61.31 H new ATOM 0 HG2 GLN A 36 -30.493 35.939 -4.990 1.00 24.41 H new ATOM 0 HG3 GLN A 36 -31.525 34.523 -4.960 1.00 24.41 H new ATOM 0 HE21 GLN A 36 -30.158 34.006 -3.044 1.00 14.12 H new ATOM 0 HE22 GLN A 36 -28.640 33.145 -3.320 1.00 14.12 H new ATOM 654 N LEU A 37 -31.848 34.069 -9.854 1.00 21.12 N ATOM 655 CA LEU A 37 -32.728 34.368 -10.978 1.00 12.11 C ATOM 656 C LEU A 37 -33.804 33.297 -11.127 1.00 63.14 C ATOM 657 O LEU A 37 -34.997 33.588 -11.058 1.00 74.05 O ATOM 658 CB LEU A 37 -31.918 34.477 -12.271 1.00 1.43 C ATOM 659 CG LEU A 37 -31.948 35.838 -12.968 1.00 64.35 C ATOM 660 CD1 LEU A 37 -33.325 36.108 -13.552 1.00 55.24 C ATOM 661 CD2 LEU A 37 -31.550 36.942 -12.000 1.00 53.53 C ATOM 0 H LEU A 37 -30.877 33.896 -10.114 1.00 21.12 H new ATOM 0 HA LEU A 37 -33.216 35.322 -10.781 1.00 12.11 H new ATOM 0 HB2 LEU A 37 -30.880 34.228 -12.049 1.00 1.43 H new ATOM 0 HB3 LEU A 37 -32.284 33.725 -12.970 1.00 1.43 H new ATOM 0 HG LEU A 37 -31.227 35.822 -13.785 1.00 64.35 H new ATOM 0 HD11 LEU A 37 -33.327 37.081 -14.044 1.00 55.24 H new ATOM 0 HD12 LEU A 37 -33.570 35.333 -14.279 1.00 55.24 H new ATOM 0 HD13 LEU A 37 -34.066 36.104 -12.753 1.00 55.24 H new ATOM 0 HD21 LEU A 37 -31.577 37.903 -12.513 1.00 53.53 H new ATOM 0 HD22 LEU A 37 -32.246 36.959 -11.161 1.00 53.53 H new ATOM 0 HD23 LEU A 37 -30.541 36.756 -11.631 1.00 53.53 H new ATOM 673 N ALA A 38 -33.372 32.057 -11.330 1.00 60.54 N ATOM 674 CA ALA A 38 -34.298 30.941 -11.485 1.00 45.21 C ATOM 675 C ALA A 38 -35.038 30.657 -10.183 1.00 1.45 C ATOM 676 O ALA A 38 -36.251 30.450 -10.178 1.00 74.34 O ATOM 677 CB ALA A 38 -33.554 29.699 -11.953 1.00 43.10 C ATOM 0 H ALA A 38 -32.387 31.799 -11.391 1.00 60.54 H new ATOM 0 HA ALA A 38 -35.036 31.215 -12.239 1.00 45.21 H new ATOM 0 HB1 ALA A 38 -34.257 28.874 -12.064 1.00 43.10 H new ATOM 0 HB2 ALA A 38 -33.076 29.901 -12.912 1.00 43.10 H new ATOM 0 HB3 ALA A 38 -32.794 29.431 -11.218 1.00 43.10 H new ATOM 683 N LYS A 39 -34.300 30.649 -9.078 1.00 1.33 N ATOM 684 CA LYS A 39 -34.886 30.392 -7.768 1.00 23.44 C ATOM 685 C LYS A 39 -36.020 31.370 -7.477 1.00 24.54 C ATOM 686 O LYS A 39 -36.980 31.033 -6.785 1.00 62.23 O ATOM 687 CB LYS A 39 -33.816 30.496 -6.678 1.00 61.02 C ATOM 688 CG LYS A 39 -33.095 29.187 -6.406 1.00 71.02 C ATOM 689 CD LYS A 39 -33.822 28.357 -5.362 1.00 30.34 C ATOM 690 CE LYS A 39 -33.333 26.917 -5.355 1.00 23.40 C ATOM 691 NZ LYS A 39 -33.945 26.128 -4.250 1.00 61.11 N ATOM 0 H LYS A 39 -33.294 30.818 -9.064 1.00 1.33 H new ATOM 0 HA LYS A 39 -35.294 29.381 -7.773 1.00 23.44 H new ATOM 0 HB2 LYS A 39 -33.085 31.250 -6.969 1.00 61.02 H new ATOM 0 HB3 LYS A 39 -34.282 30.843 -5.756 1.00 61.02 H new ATOM 0 HG2 LYS A 39 -33.012 28.617 -7.332 1.00 71.02 H new ATOM 0 HG3 LYS A 39 -32.080 29.393 -6.066 1.00 71.02 H new ATOM 0 HD2 LYS A 39 -33.672 28.798 -4.376 1.00 30.34 H new ATOM 0 HD3 LYS A 39 -34.893 28.377 -5.561 1.00 30.34 H new ATOM 0 HE2 LYS A 39 -33.570 26.448 -6.310 1.00 23.40 H new ATOM 0 HE3 LYS A 39 -32.248 26.903 -5.254 1.00 23.40 H new ATOM 0 HZ1 LYS A 39 -33.586 25.152 -4.280 1.00 61.11 H new ATOM 0 HZ2 LYS A 39 -33.698 26.560 -3.337 1.00 61.11 H new ATOM 0 HZ3 LYS A 39 -34.979 26.120 -4.361 1.00 61.11 H new ATOM 705 N ASN A 40 -35.902 32.581 -8.010 1.00 44.13 N ATOM 706 CA ASN A 40 -36.918 33.607 -7.808 1.00 42.52 C ATOM 707 C ASN A 40 -38.284 33.121 -8.281 1.00 72.30 C ATOM 708 O ASN A 40 -39.314 33.469 -7.702 1.00 52.33 O ATOM 709 CB ASN A 40 -36.534 34.888 -8.553 1.00 33.20 C ATOM 710 CG ASN A 40 -36.343 36.066 -7.617 1.00 73.22 C ATOM 711 OD1 ASN A 40 -36.995 37.100 -7.762 1.00 51.13 O ATOM 712 ND2 ASN A 40 -35.446 35.914 -6.651 1.00 24.35 N ATOM 0 H ASN A 40 -35.113 32.876 -8.585 1.00 44.13 H new ATOM 0 HA ASN A 40 -36.977 33.819 -6.740 1.00 42.52 H new ATOM 0 HB2 ASN A 40 -35.613 34.718 -9.111 1.00 33.20 H new ATOM 0 HB3 ASN A 40 -37.309 35.128 -9.281 1.00 33.20 H new ATOM 0 HD21 ASN A 40 -35.274 36.672 -5.991 1.00 24.35 H new ATOM 0 HD22 ASN A 40 -34.928 35.039 -6.569 1.00 24.35 H new ATOM 719 N LEU A 41 -38.286 32.313 -9.336 1.00 22.24 N ATOM 720 CA LEU A 41 -39.526 31.777 -9.887 1.00 25.43 C ATOM 721 C LEU A 41 -39.813 30.386 -9.329 1.00 42.22 C ATOM 722 O LEU A 41 -39.912 30.201 -8.116 1.00 54.04 O ATOM 723 CB LEU A 41 -39.446 31.720 -11.413 1.00 65.23 C ATOM 724 CG LEU A 41 -40.654 31.113 -12.127 1.00 13.24 C ATOM 725 CD1 LEU A 41 -41.745 32.157 -12.311 1.00 1.04 C ATOM 726 CD2 LEU A 41 -40.242 30.527 -13.469 1.00 55.23 C ATOM 0 H LEU A 41 -37.443 32.015 -9.827 1.00 22.24 H new ATOM 0 HA LEU A 41 -40.341 32.440 -9.597 1.00 25.43 H new ATOM 0 HB2 LEU A 41 -39.300 32.733 -11.787 1.00 65.23 H new ATOM 0 HB3 LEU A 41 -38.561 31.147 -11.689 1.00 65.23 H new ATOM 0 HG LEU A 41 -41.051 30.308 -11.509 1.00 13.24 H new ATOM 0 HD11 LEU A 41 -42.597 31.707 -12.821 1.00 1.04 H new ATOM 0 HD12 LEU A 41 -42.061 32.529 -11.336 1.00 1.04 H new ATOM 0 HD13 LEU A 41 -41.360 32.984 -12.908 1.00 1.04 H new ATOM 0 HD21 LEU A 41 -41.115 30.100 -13.963 1.00 55.23 H new ATOM 0 HD22 LEU A 41 -39.820 31.313 -14.095 1.00 55.23 H new ATOM 0 HD23 LEU A 41 -39.496 29.748 -13.312 1.00 55.23 H new TER 738 LEU A 41