USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 273 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 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -150:sc= 0.249 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.04 K(o=-1,f=-5.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.08) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0625 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0753) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -45:sc= 1.13 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.340 -4.492 1.573 1.00 40.30 N ATOM 2 CA SER A 1 0.630 -3.118 1.175 1.00 22.23 C ATOM 3 C SER A 1 1.930 -3.044 0.383 1.00 44.14 C ATOM 4 O SER A 1 2.902 -2.430 0.821 1.00 11.14 O ATOM 5 CB SER A 1 0.718 -2.216 2.408 1.00 12.12 C ATOM 6 OG SER A 1 -0.568 -1.783 2.818 1.00 3.41 O ATOM 0 H1 SER A 1 -0.550 -4.517 2.111 1.00 40.30 H new ATOM 0 H2 SER A 1 0.249 -5.087 0.725 1.00 40.30 H new ATOM 0 H3 SER A 1 1.114 -4.852 2.167 1.00 40.30 H new ATOM 0 HA SER A 1 -0.183 -2.772 0.537 1.00 22.23 H new ATOM 0 HB2 SER A 1 1.200 -2.756 3.223 1.00 12.12 H new ATOM 0 HB3 SER A 1 1.342 -1.351 2.185 1.00 12.12 H new ATOM 0 HG SER A 1 -0.484 -1.210 3.608 1.00 3.41 H new ATOM 12 N GLU A 2 1.940 -3.675 -0.788 1.00 5.34 N ATOM 13 CA GLU A 2 3.121 -3.681 -1.643 1.00 10.20 C ATOM 14 C GLU A 2 2.820 -4.349 -2.981 1.00 23.23 C ATOM 15 O GLU A 2 1.841 -5.084 -3.115 1.00 11.41 O ATOM 16 CB GLU A 2 4.277 -4.405 -0.948 1.00 4.43 C ATOM 17 CG GLU A 2 3.974 -5.856 -0.615 1.00 63.53 C ATOM 18 CD GLU A 2 4.232 -6.788 -1.782 1.00 51.03 C ATOM 19 OE1 GLU A 2 3.334 -7.593 -2.109 1.00 43.31 O ATOM 20 OE2 GLU A 2 5.331 -6.713 -2.370 1.00 33.35 O1- ATOM 0 H GLU A 2 1.143 -4.188 -1.165 1.00 5.34 H new ATOM 0 HA GLU A 2 3.409 -2.646 -1.829 1.00 10.20 H new ATOM 0 HB2 GLU A 2 5.158 -4.364 -1.589 1.00 4.43 H new ATOM 0 HB3 GLU A 2 4.527 -3.875 -0.029 1.00 4.43 H new ATOM 0 HG2 GLU A 2 4.584 -6.165 0.234 1.00 63.53 H new ATOM 0 HG3 GLU A 2 2.932 -5.944 -0.308 1.00 63.53 H new ATOM 27 N ASP A 3 3.669 -4.088 -3.970 1.00 63.24 N ATOM 28 CA ASP A 3 3.495 -4.663 -5.298 1.00 45.13 C ATOM 29 C ASP A 3 4.437 -5.844 -5.505 1.00 41.00 C ATOM 30 O ASP A 3 5.614 -5.667 -5.824 1.00 13.30 O ATOM 31 CB ASP A 3 3.743 -3.603 -6.373 1.00 74.34 C ATOM 32 CG ASP A 3 5.006 -2.803 -6.117 1.00 45.05 C ATOM 33 OD1 ASP A 3 4.979 -1.916 -5.239 1.00 21.43 O ATOM 34 OD2 ASP A 3 6.021 -3.066 -6.795 1.00 55.11 O1- ATOM 0 H ASP A 3 4.484 -3.482 -3.876 1.00 63.24 H new ATOM 0 HA ASP A 3 2.468 -5.020 -5.381 1.00 45.13 H new ATOM 0 HB2 ASP A 3 3.814 -4.087 -7.347 1.00 74.34 H new ATOM 0 HB3 ASP A 3 2.890 -2.926 -6.415 1.00 74.34 H new ATOM 39 N CYS A 4 3.912 -7.052 -5.324 1.00 63.21 N ATOM 40 CA CYS A 4 4.706 -8.264 -5.488 1.00 71.44 C ATOM 41 C CYS A 4 5.071 -8.479 -6.955 1.00 30.33 C ATOM 42 O CYS A 4 4.535 -7.816 -7.844 1.00 13.04 O ATOM 43 CB CYS A 4 3.939 -9.477 -4.959 1.00 34.24 C ATOM 44 SG CYS A 4 2.306 -9.719 -5.730 1.00 75.11 S ATOM 0 H CYS A 4 2.940 -7.217 -5.064 1.00 63.21 H new ATOM 0 HA CYS A 4 5.626 -8.147 -4.915 1.00 71.44 H new ATOM 0 HB2 CYS A 4 4.541 -10.372 -5.119 1.00 34.24 H new ATOM 0 HB3 CYS A 4 3.808 -9.369 -3.882 1.00 34.24 H new ATOM 49 N LEU A 5 5.986 -9.410 -7.200 1.00 74.35 N ATOM 50 CA LEU A 5 6.424 -9.715 -8.558 1.00 5.03 C ATOM 51 C LEU A 5 5.552 -10.801 -9.181 1.00 34.41 C ATOM 52 O LEU A 5 4.623 -11.304 -8.549 1.00 14.14 O ATOM 53 CB LEU A 5 7.887 -10.159 -8.555 1.00 35.53 C ATOM 54 CG LEU A 5 8.902 -9.122 -8.072 1.00 44.22 C ATOM 55 CD1 LEU A 5 10.148 -9.806 -7.532 1.00 44.22 C ATOM 56 CD2 LEU A 5 9.263 -8.165 -9.199 1.00 31.32 C ATOM 0 H LEU A 5 6.439 -9.967 -6.476 1.00 74.35 H new ATOM 0 HA LEU A 5 6.327 -8.809 -9.157 1.00 5.03 H new ATOM 0 HB2 LEU A 5 7.976 -11.045 -7.926 1.00 35.53 H new ATOM 0 HB3 LEU A 5 8.157 -10.458 -9.568 1.00 35.53 H new ATOM 0 HG LEU A 5 8.449 -8.547 -7.264 1.00 44.22 H new ATOM 0 HD11 LEU A 5 10.859 -9.052 -7.193 1.00 44.22 H new ATOM 0 HD12 LEU A 5 9.876 -10.450 -6.696 1.00 44.22 H new ATOM 0 HD13 LEU A 5 10.604 -10.406 -8.319 1.00 44.22 H new ATOM 0 HD21 LEU A 5 9.986 -7.434 -8.838 1.00 31.32 H new ATOM 0 HD22 LEU A 5 9.696 -8.725 -10.027 1.00 31.32 H new ATOM 0 HD23 LEU A 5 8.365 -7.649 -9.540 1.00 31.32 H new ATOM 68 N GLY A 6 5.859 -11.159 -10.424 1.00 13.12 N ATOM 69 CA GLY A 6 5.095 -12.185 -11.109 1.00 64.11 C ATOM 70 C GLY A 6 5.858 -13.489 -11.236 1.00 22.12 C ATOM 71 O GLY A 6 6.965 -13.620 -10.712 1.00 4.04 O ATOM 0 H GLY A 6 6.622 -10.757 -10.968 1.00 13.12 H new ATOM 0 HA2 GLY A 6 4.165 -12.363 -10.569 1.00 64.11 H new ATOM 0 HA3 GLY A 6 4.823 -11.829 -12.103 1.00 64.11 H new ATOM 75 N TRP A 7 5.266 -14.454 -11.930 1.00 63.31 N ATOM 76 CA TRP A 7 5.898 -15.755 -12.120 1.00 50.54 C ATOM 77 C TRP A 7 7.054 -15.658 -13.108 1.00 42.31 C ATOM 78 O TRP A 7 8.027 -16.407 -13.014 1.00 4.31 O ATOM 79 CB TRP A 7 4.871 -16.774 -12.616 1.00 22.32 C ATOM 80 CG TRP A 7 4.364 -16.484 -13.996 1.00 33.10 C ATOM 81 CD1 TRP A 7 4.952 -16.839 -15.177 1.00 4.31 C ATOM 82 CD2 TRP A 7 3.166 -15.778 -14.338 1.00 14.21 C ATOM 83 NE1 TRP A 7 4.192 -16.395 -16.232 1.00 3.11 N ATOM 84 CE2 TRP A 7 3.091 -15.742 -15.745 1.00 61.34 C ATOM 85 CE3 TRP A 7 2.149 -15.174 -13.594 1.00 20.31 C ATOM 86 CZ2 TRP A 7 2.040 -15.125 -16.418 1.00 42.14 C ATOM 87 CZ3 TRP A 7 1.107 -14.562 -14.264 1.00 42.23 C ATOM 88 CH2 TRP A 7 1.058 -14.542 -15.664 1.00 34.51 C ATOM 0 H TRP A 7 4.351 -14.361 -12.370 1.00 63.31 H new ATOM 0 HA TRP A 7 6.293 -16.085 -11.159 1.00 50.54 H new ATOM 0 HB2 TRP A 7 5.320 -17.767 -12.603 1.00 22.32 H new ATOM 0 HB3 TRP A 7 4.029 -16.796 -11.925 1.00 22.32 H new ATOM 0 HD1 TRP A 7 5.878 -17.388 -15.268 1.00 4.31 H new ATOM 0 HE1 TRP A 7 4.412 -16.530 -17.219 1.00 3.11 H new ATOM 0 HE3 TRP A 7 2.177 -15.185 -12.514 1.00 20.31 H new ATOM 0 HZ2 TRP A 7 2.001 -15.107 -17.497 1.00 42.14 H new ATOM 0 HZ3 TRP A 7 0.317 -14.091 -13.699 1.00 42.23 H new ATOM 0 HH2 TRP A 7 0.229 -14.057 -16.158 1.00 34.51 H new ATOM 99 N ALA A 8 6.943 -14.734 -14.055 1.00 42.35 N ATOM 100 CA ALA A 8 7.982 -14.539 -15.060 1.00 21.41 C ATOM 101 C ALA A 8 8.941 -13.427 -14.648 1.00 62.40 C ATOM 102 O ALA A 8 9.578 -12.799 -15.493 1.00 64.32 O ATOM 103 CB ALA A 8 7.357 -14.226 -16.412 1.00 43.33 C ATOM 0 H ALA A 8 6.144 -14.107 -14.148 1.00 42.35 H new ATOM 0 HA ALA A 8 8.553 -15.464 -15.142 1.00 21.41 H new ATOM 0 HB1 ALA A 8 8.144 -14.083 -17.152 1.00 43.33 H new ATOM 0 HB2 ALA A 8 6.718 -15.054 -16.718 1.00 43.33 H new ATOM 0 HB3 ALA A 8 6.761 -13.317 -16.336 1.00 43.33 H new ATOM 109 N SER A 9 9.038 -13.188 -13.343 1.00 22.43 N ATOM 110 CA SER A 9 9.918 -12.149 -12.820 1.00 5.15 C ATOM 111 C SER A 9 11.149 -12.761 -12.161 1.00 0.41 C ATOM 112 O SER A 9 11.189 -13.960 -11.886 1.00 24.12 O ATOM 113 CB SER A 9 9.166 -11.276 -11.814 1.00 25.31 C ATOM 114 OG SER A 9 8.128 -10.548 -12.446 1.00 53.42 O ATOM 0 H SER A 9 8.518 -13.699 -12.630 1.00 22.43 H new ATOM 0 HA SER A 9 10.246 -11.529 -13.655 1.00 5.15 H new ATOM 0 HB2 SER A 9 8.748 -11.902 -11.026 1.00 25.31 H new ATOM 0 HB3 SER A 9 9.861 -10.585 -11.337 1.00 25.31 H new ATOM 0 HG SER A 9 7.985 -9.703 -11.971 1.00 53.42 H new ATOM 120 N ARG A 10 12.153 -11.928 -11.908 1.00 50.11 N ATOM 121 CA ARG A 10 13.388 -12.385 -11.282 1.00 34.34 C ATOM 122 C ARG A 10 13.345 -12.165 -9.771 1.00 72.10 C ATOM 123 O ARG A 10 12.555 -11.364 -9.272 1.00 31.13 O ATOM 124 CB ARG A 10 14.591 -11.654 -11.880 1.00 33.42 C ATOM 125 CG ARG A 10 14.595 -10.159 -11.603 1.00 13.14 C ATOM 126 CD ARG A 10 15.319 -9.835 -10.306 1.00 44.41 C ATOM 127 NE ARG A 10 15.783 -8.451 -10.270 1.00 11.22 N ATOM 128 CZ ARG A 10 16.825 -8.007 -10.964 1.00 12.24 C ATOM 129 NH1 ARG A 10 17.508 -8.834 -11.743 1.00 61.42 N1+ ATOM 130 NH2 ARG A 10 17.187 -6.733 -10.879 1.00 12.20 N ATOM 0 H ARG A 10 12.135 -10.932 -12.127 1.00 50.11 H new ATOM 0 HA ARG A 10 13.489 -13.453 -11.475 1.00 34.34 H new ATOM 0 HB2 ARG A 10 15.506 -12.091 -11.481 1.00 33.42 H new ATOM 0 HB3 ARG A 10 14.604 -11.815 -12.958 1.00 33.42 H new ATOM 0 HG2 ARG A 10 15.076 -9.636 -12.430 1.00 13.14 H new ATOM 0 HG3 ARG A 10 13.569 -9.795 -11.549 1.00 13.14 H new ATOM 0 HD2 ARG A 10 14.652 -10.016 -9.463 1.00 44.41 H new ATOM 0 HD3 ARG A 10 16.170 -10.506 -10.188 1.00 44.41 H new ATOM 0 HE ARG A 10 15.279 -7.789 -9.680 1.00 11.22 H new ATOM 0 HH11 ARG A 10 17.234 -9.814 -11.811 1.00 61.42 H new ATOM 0 HH12 ARG A 10 18.308 -8.490 -12.275 1.00 61.42 H new ATOM 0 HH21 ARG A 10 16.665 -6.093 -10.280 1.00 12.20 H new ATOM 0 HH22 ARG A 10 17.987 -6.394 -11.412 1.00 12.20 H new ATOM 144 N CYS A 11 14.200 -12.882 -9.051 1.00 65.31 N ATOM 145 CA CYS A 11 14.260 -12.767 -7.598 1.00 73.31 C ATOM 146 C CYS A 11 15.417 -13.589 -7.035 1.00 31.33 C ATOM 147 O CYS A 11 15.971 -14.448 -7.719 1.00 31.22 O ATOM 148 CB CYS A 11 12.941 -13.228 -6.974 1.00 34.22 C ATOM 149 SG CYS A 11 12.671 -15.028 -7.052 1.00 75.14 S ATOM 0 H CYS A 11 14.861 -13.549 -9.449 1.00 65.31 H new ATOM 0 HA CYS A 11 14.426 -11.719 -7.348 1.00 73.31 H new ATOM 0 HB2 CYS A 11 12.915 -12.912 -5.931 1.00 34.22 H new ATOM 0 HB3 CYS A 11 12.117 -12.725 -7.480 1.00 34.22 H new ATOM 154 N SER A 12 15.773 -13.317 -5.784 1.00 0.14 N ATOM 155 CA SER A 12 16.865 -14.029 -5.129 1.00 52.12 C ATOM 156 C SER A 12 16.374 -14.737 -3.870 1.00 40.24 C ATOM 157 O SER A 12 15.326 -14.413 -3.312 1.00 64.52 O ATOM 158 CB SER A 12 17.993 -13.058 -4.775 1.00 31.51 C ATOM 159 OG SER A 12 18.928 -12.953 -5.834 1.00 44.41 O ATOM 0 H SER A 12 15.322 -12.610 -5.204 1.00 0.14 H new ATOM 0 HA SER A 12 17.245 -14.780 -5.822 1.00 52.12 H new ATOM 0 HB2 SER A 12 17.575 -12.075 -4.556 1.00 31.51 H new ATOM 0 HB3 SER A 12 18.499 -13.398 -3.871 1.00 31.51 H new ATOM 0 HG SER A 12 19.637 -12.325 -5.583 1.00 44.41 H new ATOM 165 N PRO A 13 17.151 -15.731 -3.411 1.00 24.32 N ATOM 166 CA PRO A 13 16.817 -16.507 -2.213 1.00 60.42 C ATOM 167 C PRO A 13 16.944 -15.684 -0.936 1.00 71.01 C ATOM 168 O PRO A 13 16.287 -15.969 0.067 1.00 74.03 O ATOM 169 CB PRO A 13 17.847 -17.638 -2.226 1.00 4.45 C ATOM 170 CG PRO A 13 19.001 -17.092 -2.991 1.00 53.31 C ATOM 171 CD PRO A 13 18.414 -16.171 -4.026 1.00 1.04 C ATOM 0 HA PRO A 13 15.784 -16.853 -2.225 1.00 60.42 H new ATOM 0 HB2 PRO A 13 18.140 -17.918 -1.214 1.00 4.45 H new ATOM 0 HB3 PRO A 13 17.446 -18.533 -2.701 1.00 4.45 H new ATOM 0 HG2 PRO A 13 19.686 -16.555 -2.334 1.00 53.31 H new ATOM 0 HG3 PRO A 13 19.572 -17.893 -3.460 1.00 53.31 H new ATOM 0 HD2 PRO A 13 19.074 -15.329 -4.236 1.00 1.04 H new ATOM 0 HD3 PRO A 13 18.243 -16.685 -4.972 1.00 1.04 H new ATOM 179 N LYS A 14 17.792 -14.663 -0.977 1.00 72.01 N ATOM 180 CA LYS A 14 18.005 -13.797 0.177 1.00 72.32 C ATOM 181 C LYS A 14 16.875 -12.782 0.312 1.00 63.30 C ATOM 182 O LYS A 14 16.444 -12.462 1.418 1.00 12.54 O ATOM 183 CB LYS A 14 19.347 -13.070 0.054 1.00 14.54 C ATOM 184 CG LYS A 14 20.541 -14.005 -0.027 1.00 61.00 C ATOM 185 CD LYS A 14 21.849 -13.235 -0.073 1.00 45.10 C ATOM 186 CE LYS A 14 22.067 -12.587 -1.432 1.00 32.43 C ATOM 187 NZ LYS A 14 22.969 -11.405 -1.345 1.00 64.13 N1+ ATOM 0 H LYS A 14 18.344 -14.414 -1.798 1.00 72.01 H new ATOM 0 HA LYS A 14 18.017 -14.421 1.071 1.00 72.32 H new ATOM 0 HB2 LYS A 14 19.329 -12.440 -0.835 1.00 14.54 H new ATOM 0 HB3 LYS A 14 19.472 -12.408 0.911 1.00 14.54 H new ATOM 0 HG2 LYS A 14 20.541 -14.673 0.835 1.00 61.00 H new ATOM 0 HG3 LYS A 14 20.455 -14.631 -0.915 1.00 61.00 H new ATOM 0 HD2 LYS A 14 21.848 -12.468 0.701 1.00 45.10 H new ATOM 0 HD3 LYS A 14 22.677 -13.909 0.147 1.00 45.10 H new ATOM 0 HE2 LYS A 14 22.492 -13.319 -2.119 1.00 32.43 H new ATOM 0 HE3 LYS A 14 21.107 -12.281 -1.847 1.00 32.43 H new ATOM 0 HZ1 LYS A 14 23.092 -10.992 -2.291 1.00 64.13 H new ATOM 0 HZ2 LYS A 14 22.551 -10.696 -0.709 1.00 64.13 H new ATOM 0 HZ3 LYS A 14 23.894 -11.701 -0.973 1.00 64.13 H new ATOM 201 N ASN A 15 16.398 -12.280 -0.823 1.00 73.33 N ATOM 202 CA ASN A 15 15.317 -11.302 -0.832 1.00 14.32 C ATOM 203 C ASN A 15 14.243 -11.687 -1.843 1.00 31.45 C ATOM 204 O ASN A 15 14.167 -11.116 -2.932 1.00 73.52 O ATOM 205 CB ASN A 15 15.863 -9.909 -1.155 1.00 20.35 C ATOM 206 CG ASN A 15 16.876 -9.433 -0.132 1.00 54.24 C ATOM 207 OD1 ASN A 15 17.842 -10.133 0.172 1.00 4.04 O ATOM 208 ND2 ASN A 15 16.659 -8.238 0.405 1.00 75.12 N ATOM 0 H ASN A 15 16.744 -12.535 -1.748 1.00 73.33 H new ATOM 0 HA ASN A 15 14.867 -11.287 0.161 1.00 14.32 H new ATOM 0 HB2 ASN A 15 16.326 -9.923 -2.142 1.00 20.35 H new ATOM 0 HB3 ASN A 15 15.037 -9.200 -1.201 1.00 20.35 H new ATOM 0 HD21 ASN A 15 17.307 -7.866 1.100 1.00 75.12 H new ATOM 0 HD22 ASN A 15 15.845 -7.692 0.123 1.00 75.12 H new ATOM 215 N ASP A 16 13.413 -12.657 -1.477 1.00 24.31 N ATOM 216 CA ASP A 16 12.342 -13.119 -2.352 1.00 0.44 C ATOM 217 C ASP A 16 11.045 -12.366 -2.067 1.00 51.11 C ATOM 218 O ASP A 16 10.396 -12.592 -1.045 1.00 12.13 O ATOM 219 CB ASP A 16 12.122 -14.622 -2.178 1.00 11.43 C ATOM 220 CG ASP A 16 10.784 -15.079 -2.723 1.00 62.32 C ATOM 221 OD1 ASP A 16 10.182 -15.996 -2.126 1.00 51.35 O ATOM 222 OD2 ASP A 16 10.338 -14.520 -3.747 1.00 42.24 O1- ATOM 0 H ASP A 16 13.461 -13.139 -0.579 1.00 24.31 H new ATOM 0 HA ASP A 16 12.638 -12.921 -3.382 1.00 0.44 H new ATOM 0 HB2 ASP A 16 12.921 -15.164 -2.684 1.00 11.43 H new ATOM 0 HB3 ASP A 16 12.185 -14.875 -1.120 1.00 11.43 H new ATOM 227 N LYS A 17 10.674 -11.471 -2.975 1.00 23.35 N ATOM 228 CA LYS A 17 9.455 -10.684 -2.822 1.00 42.15 C ATOM 229 C LYS A 17 8.485 -10.957 -3.967 1.00 51.55 C ATOM 230 O LYS A 17 8.049 -10.035 -4.657 1.00 62.31 O ATOM 231 CB LYS A 17 9.791 -9.192 -2.768 1.00 23.24 C ATOM 232 CG LYS A 17 10.962 -8.864 -1.857 1.00 75.45 C ATOM 233 CD LYS A 17 12.279 -8.882 -2.614 1.00 63.25 C ATOM 234 CE LYS A 17 12.611 -7.512 -3.186 1.00 34.24 C ATOM 235 NZ LYS A 17 13.731 -7.576 -4.165 1.00 14.50 N1+ ATOM 0 H LYS A 17 11.200 -11.272 -3.826 1.00 23.35 H new ATOM 0 HA LYS A 17 8.977 -10.976 -1.887 1.00 42.15 H new ATOM 0 HB2 LYS A 17 10.016 -8.842 -3.775 1.00 23.24 H new ATOM 0 HB3 LYS A 17 8.913 -8.643 -2.429 1.00 23.24 H new ATOM 0 HG2 LYS A 17 10.812 -7.882 -1.409 1.00 75.45 H new ATOM 0 HG3 LYS A 17 11.001 -9.584 -1.040 1.00 75.45 H new ATOM 0 HD2 LYS A 17 13.079 -9.203 -1.947 1.00 63.25 H new ATOM 0 HD3 LYS A 17 12.226 -9.612 -3.422 1.00 63.25 H new ATOM 0 HE2 LYS A 17 11.728 -7.097 -3.672 1.00 34.24 H new ATOM 0 HE3 LYS A 17 12.876 -6.834 -2.375 1.00 34.24 H new ATOM 0 HZ1 LYS A 17 13.927 -6.623 -4.532 1.00 14.50 H new ATOM 0 HZ2 LYS A 17 14.581 -7.948 -3.696 1.00 14.50 H new ATOM 0 HZ3 LYS A 17 13.468 -8.203 -4.952 1.00 14.50 H new ATOM 249 N CYS A 18 8.149 -12.228 -4.162 1.00 5.25 N ATOM 250 CA CYS A 18 7.230 -12.621 -5.222 1.00 75.04 C ATOM 251 C CYS A 18 5.854 -12.954 -4.653 1.00 70.24 C ATOM 252 O CYS A 18 5.722 -13.302 -3.478 1.00 33.01 O ATOM 253 CB CYS A 18 7.782 -13.828 -5.984 1.00 20.31 C ATOM 254 SG CYS A 18 9.405 -13.538 -6.759 1.00 55.44 S ATOM 0 H CYS A 18 8.500 -13.003 -3.599 1.00 5.25 H new ATOM 0 HA CYS A 18 7.128 -11.781 -5.909 1.00 75.04 H new ATOM 0 HB2 CYS A 18 7.864 -14.671 -5.298 1.00 20.31 H new ATOM 0 HB3 CYS A 18 7.068 -14.114 -6.756 1.00 20.31 H new ATOM 259 N CYS A 19 4.829 -12.844 -5.492 1.00 73.24 N ATOM 260 CA CYS A 19 3.463 -13.131 -5.074 1.00 63.43 C ATOM 261 C CYS A 19 3.374 -14.504 -4.413 1.00 52.23 C ATOM 262 O CYS A 19 4.242 -15.359 -4.582 1.00 22.54 O ATOM 263 CB CYS A 19 2.516 -13.069 -6.274 1.00 61.42 C ATOM 264 SG CYS A 19 1.830 -11.412 -6.593 1.00 33.31 S ATOM 0 H CYS A 19 4.920 -12.558 -6.467 1.00 73.24 H new ATOM 0 HA CYS A 19 3.166 -12.376 -4.346 1.00 63.43 H new ATOM 0 HB2 CYS A 19 3.049 -13.407 -7.162 1.00 61.42 H new ATOM 0 HB3 CYS A 19 1.694 -13.766 -6.111 1.00 61.42 H new ATOM 269 N PRO A 20 2.298 -14.720 -3.641 1.00 55.32 N ATOM 270 CA PRO A 20 2.069 -15.986 -2.939 1.00 64.03 C ATOM 271 C PRO A 20 1.733 -17.126 -3.896 1.00 53.22 C ATOM 272 O PRO A 20 1.578 -16.915 -5.098 1.00 4.23 O ATOM 273 CB PRO A 20 0.874 -15.679 -2.034 1.00 1.15 C ATOM 274 CG PRO A 20 0.160 -14.562 -2.714 1.00 72.13 C ATOM 275 CD PRO A 20 1.223 -13.744 -3.394 1.00 53.44 C ATOM 0 HA PRO A 20 2.955 -16.319 -2.399 1.00 64.03 H new ATOM 0 HB2 PRO A 20 0.229 -16.550 -1.921 1.00 1.15 H new ATOM 0 HB3 PRO A 20 1.198 -15.391 -1.034 1.00 1.15 H new ATOM 0 HG2 PRO A 20 -0.561 -14.943 -3.437 1.00 72.13 H new ATOM 0 HG3 PRO A 20 -0.396 -13.960 -1.996 1.00 72.13 H new ATOM 0 HD2 PRO A 20 0.859 -13.304 -4.322 1.00 53.44 H new ATOM 0 HD3 PRO A 20 1.563 -12.923 -2.763 1.00 53.44 H new ATOM 283 N ASN A 21 1.622 -18.334 -3.353 1.00 0.34 N ATOM 284 CA ASN A 21 1.306 -19.507 -4.159 1.00 31.11 C ATOM 285 C ASN A 21 2.397 -19.770 -5.192 1.00 11.01 C ATOM 286 O ASN A 21 2.145 -20.364 -6.241 1.00 61.11 O ATOM 287 CB ASN A 21 -0.042 -19.322 -4.860 1.00 21.30 C ATOM 288 CG ASN A 21 -1.091 -18.720 -3.946 1.00 21.31 C ATOM 289 OD1 ASN A 21 -1.583 -19.378 -3.029 1.00 30.42 O ATOM 290 ND2 ASN A 21 -1.439 -17.463 -4.191 1.00 70.15 N ATOM 0 H ASN A 21 1.746 -18.526 -2.359 1.00 0.34 H new ATOM 0 HA ASN A 21 1.247 -20.368 -3.493 1.00 31.11 H new ATOM 0 HB2 ASN A 21 0.089 -18.679 -5.731 1.00 21.30 H new ATOM 0 HB3 ASN A 21 -0.393 -20.287 -5.226 1.00 21.30 H new ATOM 0 HD21 ASN A 21 -2.140 -17.005 -3.608 1.00 70.15 H new ATOM 0 HD22 ASN A 21 -1.005 -16.955 -4.962 1.00 70.15 H new ATOM 297 N TYR A 22 3.610 -19.322 -4.889 1.00 51.04 N ATOM 298 CA TYR A 22 4.740 -19.505 -5.792 1.00 1.12 C ATOM 299 C TYR A 22 5.965 -20.013 -5.037 1.00 52.41 C ATOM 300 O TYR A 22 5.905 -20.268 -3.834 1.00 62.51 O ATOM 301 CB TYR A 22 5.073 -18.191 -6.501 1.00 61.10 C ATOM 302 CG TYR A 22 4.065 -17.799 -7.558 1.00 23.11 C ATOM 303 CD1 TYR A 22 3.653 -18.710 -8.523 1.00 3.31 C ATOM 304 CD2 TYR A 22 3.526 -16.520 -7.593 1.00 50.10 C ATOM 305 CE1 TYR A 22 2.733 -18.358 -9.490 1.00 12.54 C ATOM 306 CE2 TYR A 22 2.604 -16.159 -8.556 1.00 21.41 C ATOM 307 CZ TYR A 22 2.211 -17.081 -9.503 1.00 34.11 C ATOM 308 OH TYR A 22 1.294 -16.725 -10.465 1.00 55.13 O ATOM 0 H TYR A 22 3.836 -18.829 -4.025 1.00 51.04 H new ATOM 0 HA TYR A 22 4.459 -20.250 -6.536 1.00 1.12 H new ATOM 0 HB2 TYR A 22 5.137 -17.394 -5.760 1.00 61.10 H new ATOM 0 HB3 TYR A 22 6.056 -18.277 -6.963 1.00 61.10 H new ATOM 0 HD1 TYR A 22 4.060 -19.711 -8.516 1.00 3.31 H new ATOM 0 HD2 TYR A 22 3.833 -15.795 -6.854 1.00 50.10 H new ATOM 0 HE1 TYR A 22 2.423 -19.079 -10.233 1.00 12.54 H new ATOM 0 HE2 TYR A 22 2.193 -15.160 -8.567 1.00 21.41 H new ATOM 0 HH TYR A 22 1.026 -15.792 -10.332 1.00 55.13 H new ATOM 318 N LYS A 23 7.074 -20.158 -5.752 1.00 54.25 N ATOM 319 CA LYS A 23 8.316 -20.633 -5.151 1.00 45.31 C ATOM 320 C LYS A 23 9.527 -20.080 -5.896 1.00 22.33 C ATOM 321 O LYS A 23 9.820 -20.493 -7.019 1.00 40.30 O ATOM 322 CB LYS A 23 8.356 -22.163 -5.156 1.00 73.10 C ATOM 323 CG LYS A 23 9.365 -22.748 -4.185 1.00 15.21 C ATOM 324 CD LYS A 23 8.922 -22.564 -2.742 1.00 24.44 C ATOM 325 CE LYS A 23 9.910 -23.192 -1.771 1.00 3.21 C ATOM 326 NZ LYS A 23 9.429 -23.120 -0.365 1.00 45.31 N1+ ATOM 0 H LYS A 23 7.140 -19.954 -6.749 1.00 54.25 H new ATOM 0 HA LYS A 23 8.352 -20.278 -4.121 1.00 45.31 H new ATOM 0 HB2 LYS A 23 7.365 -22.545 -4.911 1.00 73.10 H new ATOM 0 HB3 LYS A 23 8.591 -22.509 -6.163 1.00 73.10 H new ATOM 0 HG2 LYS A 23 9.498 -23.810 -4.393 1.00 15.21 H new ATOM 0 HG3 LYS A 23 10.333 -22.270 -4.333 1.00 15.21 H new ATOM 0 HD2 LYS A 23 8.822 -21.501 -2.524 1.00 24.44 H new ATOM 0 HD3 LYS A 23 7.938 -23.012 -2.602 1.00 24.44 H new ATOM 0 HE2 LYS A 23 10.076 -24.234 -2.045 1.00 3.21 H new ATOM 0 HE3 LYS A 23 10.871 -22.684 -1.852 1.00 3.21 H new ATOM 0 HZ1 LYS A 23 10.131 -23.559 0.265 1.00 45.31 H new ATOM 0 HZ2 LYS A 23 9.295 -22.125 -0.094 1.00 45.31 H new ATOM 0 HZ3 LYS A 23 8.524 -23.626 -0.281 1.00 45.31 H new ATOM 340 N CYS A 24 10.229 -19.146 -5.263 1.00 62.15 N ATOM 341 CA CYS A 24 11.410 -18.537 -5.864 1.00 54.24 C ATOM 342 C CYS A 24 12.456 -19.596 -6.199 1.00 11.13 C ATOM 343 O CYS A 24 12.909 -20.335 -5.325 1.00 75.22 O ATOM 344 CB CYS A 24 12.008 -17.494 -4.919 1.00 41.15 C ATOM 345 SG CYS A 24 13.269 -16.428 -5.691 1.00 25.54 S ATOM 0 H CYS A 24 10.000 -18.794 -4.333 1.00 62.15 H new ATOM 0 HA CYS A 24 11.106 -18.047 -6.789 1.00 54.24 H new ATOM 0 HB2 CYS A 24 11.205 -16.867 -4.532 1.00 41.15 H new ATOM 0 HB3 CYS A 24 12.453 -18.005 -4.065 1.00 41.15 H new ATOM 350 N SER A 25 12.837 -19.662 -7.471 1.00 32.52 N ATOM 351 CA SER A 25 13.829 -20.632 -7.923 1.00 1.12 C ATOM 352 C SER A 25 15.223 -20.013 -7.944 1.00 34.44 C ATOM 353 O SER A 25 15.510 -19.131 -8.753 1.00 4.33 O ATOM 354 CB SER A 25 13.467 -21.152 -9.315 1.00 12.42 C ATOM 355 OG SER A 25 14.468 -22.024 -9.809 1.00 23.12 O ATOM 0 H SER A 25 12.474 -19.056 -8.207 1.00 32.52 H new ATOM 0 HA SER A 25 13.832 -21.466 -7.222 1.00 1.12 H new ATOM 0 HB2 SER A 25 12.512 -21.676 -9.274 1.00 12.42 H new ATOM 0 HB3 SER A 25 13.341 -20.313 -9.999 1.00 12.42 H new ATOM 0 HG SER A 25 14.213 -22.344 -10.699 1.00 23.12 H new ATOM 361 N SER A 26 16.087 -20.483 -7.050 1.00 52.34 N ATOM 362 CA SER A 26 17.450 -19.974 -6.963 1.00 21.21 C ATOM 363 C SER A 26 18.271 -20.410 -8.174 1.00 34.35 C ATOM 364 O SER A 26 19.340 -19.863 -8.443 1.00 13.44 O ATOM 365 CB SER A 26 18.118 -20.464 -5.677 1.00 74.32 C ATOM 366 OG SER A 26 17.216 -20.425 -4.586 1.00 45.15 O ATOM 0 H SER A 26 15.867 -21.216 -6.376 1.00 52.34 H new ATOM 0 HA SER A 26 17.405 -18.885 -6.949 1.00 21.21 H new ATOM 0 HB2 SER A 26 18.480 -21.483 -5.817 1.00 74.32 H new ATOM 0 HB3 SER A 26 18.987 -19.844 -5.456 1.00 74.32 H new ATOM 0 HG SER A 26 17.667 -20.745 -3.777 1.00 45.15 H new ATOM 372 N LYS A 27 17.763 -21.400 -8.899 1.00 3.33 N ATOM 373 CA LYS A 27 18.445 -21.911 -10.082 1.00 11.51 C ATOM 374 C LYS A 27 18.525 -20.843 -11.169 1.00 70.43 C ATOM 375 O LYS A 27 19.613 -20.467 -11.603 1.00 4.43 O ATOM 376 CB LYS A 27 17.721 -23.147 -10.621 1.00 73.31 C ATOM 377 CG LYS A 27 18.187 -24.448 -9.990 1.00 63.31 C ATOM 378 CD LYS A 27 17.451 -24.735 -8.692 1.00 11.12 C ATOM 379 CE LYS A 27 17.728 -26.145 -8.194 1.00 54.41 C ATOM 380 NZ LYS A 27 17.029 -27.171 -9.017 1.00 44.32 N1+ ATOM 0 H LYS A 27 16.880 -21.865 -8.688 1.00 3.33 H new ATOM 0 HA LYS A 27 19.459 -22.188 -9.793 1.00 11.51 H new ATOM 0 HB2 LYS A 27 16.650 -23.034 -10.451 1.00 73.31 H new ATOM 0 HB3 LYS A 27 17.868 -23.203 -11.700 1.00 73.31 H new ATOM 0 HG2 LYS A 27 18.028 -25.269 -10.689 1.00 63.31 H new ATOM 0 HG3 LYS A 27 19.259 -24.396 -9.798 1.00 63.31 H new ATOM 0 HD2 LYS A 27 17.755 -24.014 -7.933 1.00 11.12 H new ATOM 0 HD3 LYS A 27 16.379 -24.606 -8.844 1.00 11.12 H new ATOM 0 HE2 LYS A 27 18.801 -26.333 -8.214 1.00 54.41 H new ATOM 0 HE3 LYS A 27 17.408 -26.233 -7.156 1.00 54.41 H new ATOM 0 HZ1 LYS A 27 17.102 -28.098 -8.551 1.00 44.32 H new ATOM 0 HZ2 LYS A 27 16.027 -26.912 -9.117 1.00 44.32 H new ATOM 0 HZ3 LYS A 27 17.470 -27.221 -9.958 1.00 44.32 H new ATOM 394 N ASP A 28 17.367 -20.358 -11.600 1.00 70.12 N ATOM 395 CA ASP A 28 17.305 -19.330 -12.634 1.00 12.34 C ATOM 396 C ASP A 28 16.947 -17.975 -12.033 1.00 30.23 C ATOM 397 O ASP A 28 16.644 -17.024 -12.755 1.00 2.20 O ATOM 398 CB ASP A 28 16.283 -19.714 -13.705 1.00 23.31 C ATOM 399 CG ASP A 28 16.939 -20.228 -14.972 1.00 63.22 C ATOM 400 OD1 ASP A 28 16.388 -19.981 -16.066 1.00 23.13 O ATOM 401 OD2 ASP A 28 18.000 -20.875 -14.870 1.00 74.32 O1- ATOM 0 H ASP A 28 16.458 -20.659 -11.250 1.00 70.12 H new ATOM 0 HA ASP A 28 18.290 -19.253 -13.095 1.00 12.34 H new ATOM 0 HB2 ASP A 28 15.615 -20.479 -13.309 1.00 23.31 H new ATOM 0 HB3 ASP A 28 15.668 -18.847 -13.944 1.00 23.31 H new ATOM 406 N LEU A 29 16.979 -17.894 -10.707 1.00 12.24 N ATOM 407 CA LEU A 29 16.657 -16.656 -10.008 1.00 14.53 C ATOM 408 C LEU A 29 15.315 -16.100 -10.476 1.00 31.13 C ATOM 409 O LEU A 29 15.163 -14.892 -10.662 1.00 63.14 O ATOM 410 CB LEU A 29 17.758 -15.618 -10.231 1.00 14.51 C ATOM 411 CG LEU A 29 19.141 -15.980 -9.691 1.00 12.32 C ATOM 412 CD1 LEU A 29 20.152 -14.901 -10.044 1.00 55.04 C ATOM 413 CD2 LEU A 29 19.087 -16.190 -8.184 1.00 71.40 C ATOM 0 H LEU A 29 17.225 -18.672 -10.095 1.00 12.24 H new ATOM 0 HA LEU A 29 16.587 -16.877 -8.943 1.00 14.53 H new ATOM 0 HB2 LEU A 29 17.845 -15.434 -11.302 1.00 14.51 H new ATOM 0 HB3 LEU A 29 17.444 -14.681 -9.771 1.00 14.51 H new ATOM 0 HG LEU A 29 19.459 -16.913 -10.157 1.00 12.32 H new ATOM 0 HD11 LEU A 29 21.131 -15.177 -9.651 1.00 55.04 H new ATOM 0 HD12 LEU A 29 20.212 -14.799 -11.128 1.00 55.04 H new ATOM 0 HD13 LEU A 29 19.840 -13.953 -9.607 1.00 55.04 H new ATOM 0 HD21 LEU A 29 20.081 -16.447 -7.817 1.00 71.40 H new ATOM 0 HD22 LEU A 29 18.747 -15.274 -7.701 1.00 71.40 H new ATOM 0 HD23 LEU A 29 18.394 -17.000 -7.954 1.00 71.40 H new ATOM 425 N TRP A 30 14.346 -16.987 -10.664 1.00 32.21 N ATOM 426 CA TRP A 30 13.017 -16.586 -11.109 1.00 53.11 C ATOM 427 C TRP A 30 11.935 -17.268 -10.279 1.00 14.33 C ATOM 428 O TRP A 30 12.121 -18.387 -9.798 1.00 3.31 O ATOM 429 CB TRP A 30 12.828 -16.921 -12.589 1.00 44.30 C ATOM 430 CG TRP A 30 12.590 -18.378 -12.843 1.00 65.40 C ATOM 431 CD1 TRP A 30 13.369 -19.421 -12.430 1.00 70.05 C ATOM 432 CD2 TRP A 30 11.498 -18.954 -13.569 1.00 52.02 C ATOM 433 NE1 TRP A 30 12.829 -20.610 -12.856 1.00 14.21 N ATOM 434 CE2 TRP A 30 11.680 -20.351 -13.555 1.00 55.50 C ATOM 435 CE3 TRP A 30 10.383 -18.426 -14.226 1.00 60.31 C ATOM 436 CZ2 TRP A 30 10.789 -21.223 -14.175 1.00 70.15 C ATOM 437 CZ3 TRP A 30 9.500 -19.293 -14.841 1.00 32.53 C ATOM 438 CH2 TRP A 30 9.707 -20.678 -14.812 1.00 2.33 C ATOM 0 H TRP A 30 14.456 -17.990 -10.515 1.00 32.21 H new ATOM 0 HA TRP A 30 12.927 -15.508 -10.974 1.00 53.11 H new ATOM 0 HB2 TRP A 30 11.986 -16.349 -12.979 1.00 44.30 H new ATOM 0 HB3 TRP A 30 13.712 -16.603 -13.142 1.00 44.30 H new ATOM 0 HD1 TRP A 30 14.277 -19.325 -11.853 1.00 70.05 H new ATOM 0 HE1 TRP A 30 13.220 -21.535 -12.680 1.00 14.21 H new ATOM 0 HE3 TRP A 30 10.215 -17.360 -14.253 1.00 60.31 H new ATOM 0 HZ2 TRP A 30 10.946 -22.291 -14.154 1.00 70.15 H new ATOM 0 HZ3 TRP A 30 8.636 -18.896 -15.353 1.00 32.53 H new ATOM 0 HH2 TRP A 30 8.998 -21.329 -15.302 1.00 2.33 H new ATOM 449 N CYS A 31 10.804 -16.590 -10.115 1.00 52.24 N ATOM 450 CA CYS A 31 9.692 -17.131 -9.344 1.00 15.54 C ATOM 451 C CYS A 31 9.047 -18.307 -10.070 1.00 65.10 C ATOM 452 O CYS A 31 8.411 -18.136 -11.110 1.00 65.15 O ATOM 453 CB CYS A 31 8.648 -16.043 -9.083 1.00 31.53 C ATOM 454 SG CYS A 31 9.345 -14.472 -8.480 1.00 20.04 S ATOM 0 H CYS A 31 10.634 -15.664 -10.507 1.00 52.24 H new ATOM 0 HA CYS A 31 10.083 -17.486 -8.391 1.00 15.54 H new ATOM 0 HB2 CYS A 31 8.098 -15.854 -10.005 1.00 31.53 H new ATOM 0 HB3 CYS A 31 7.928 -16.413 -8.353 1.00 31.53 H new ATOM 459 N LYS A 32 9.215 -19.502 -9.514 1.00 72.54 N ATOM 460 CA LYS A 32 8.649 -20.708 -10.107 1.00 32.34 C ATOM 461 C LYS A 32 7.248 -20.975 -9.566 1.00 33.23 C ATOM 462 O LYS A 32 6.810 -20.335 -8.609 1.00 31.12 O ATOM 463 CB LYS A 32 9.553 -21.912 -9.828 1.00 55.02 C ATOM 464 CG LYS A 32 10.503 -22.236 -10.967 1.00 75.53 C ATOM 465 CD LYS A 32 11.087 -23.632 -10.825 1.00 62.23 C ATOM 466 CE LYS A 32 10.279 -24.656 -11.607 1.00 11.23 C ATOM 467 NZ LYS A 32 10.940 -25.991 -11.620 1.00 60.44 N1+ ATOM 0 H LYS A 32 9.739 -19.661 -8.653 1.00 72.54 H new ATOM 0 HA LYS A 32 8.580 -20.555 -11.184 1.00 32.34 H new ATOM 0 HB2 LYS A 32 10.133 -21.719 -8.926 1.00 55.02 H new ATOM 0 HB3 LYS A 32 8.931 -22.784 -9.626 1.00 55.02 H new ATOM 0 HG2 LYS A 32 9.974 -22.156 -11.917 1.00 75.53 H new ATOM 0 HG3 LYS A 32 11.310 -21.503 -10.989 1.00 75.53 H new ATOM 0 HD2 LYS A 32 12.118 -23.634 -11.178 1.00 62.23 H new ATOM 0 HD3 LYS A 32 11.110 -23.912 -9.772 1.00 62.23 H new ATOM 0 HE2 LYS A 32 9.285 -24.747 -11.168 1.00 11.23 H new ATOM 0 HE3 LYS A 32 10.144 -24.307 -12.631 1.00 11.23 H new ATOM 0 HZ1 LYS A 32 10.358 -26.661 -12.163 1.00 60.44 H new ATOM 0 HZ2 LYS A 32 11.878 -25.910 -12.062 1.00 60.44 H new ATOM 0 HZ3 LYS A 32 11.046 -26.336 -10.644 1.00 60.44 H new ATOM 481 N TYR A 33 6.552 -21.922 -10.182 1.00 42.53 N ATOM 482 CA TYR A 33 5.200 -22.273 -9.761 1.00 13.01 C ATOM 483 C TYR A 33 5.229 -23.288 -8.622 1.00 25.31 C ATOM 484 O TYR A 33 6.070 -24.186 -8.596 1.00 63.32 O ATOM 485 CB TYR A 33 4.406 -22.836 -10.941 1.00 71.53 C ATOM 486 CG TYR A 33 3.792 -21.772 -11.821 1.00 65.34 C ATOM 487 CD1 TYR A 33 4.581 -21.002 -12.667 1.00 51.22 C ATOM 488 CD2 TYR A 33 2.423 -21.536 -11.807 1.00 3.42 C ATOM 489 CE1 TYR A 33 4.023 -20.028 -13.473 1.00 54.04 C ATOM 490 CE2 TYR A 33 1.857 -20.564 -12.610 1.00 30.42 C ATOM 491 CZ TYR A 33 2.661 -19.813 -13.441 1.00 65.33 C ATOM 492 OH TYR A 33 2.102 -18.843 -14.242 1.00 74.12 O ATOM 0 H TYR A 33 6.900 -22.461 -10.975 1.00 42.53 H new ATOM 0 HA TYR A 33 4.712 -21.367 -9.402 1.00 13.01 H new ATOM 0 HB2 TYR A 33 5.064 -23.460 -11.546 1.00 71.53 H new ATOM 0 HB3 TYR A 33 3.615 -23.482 -10.560 1.00 71.53 H new ATOM 0 HD1 TYR A 33 5.648 -21.168 -12.695 1.00 51.22 H new ATOM 0 HD2 TYR A 33 1.790 -22.122 -11.157 1.00 3.42 H new ATOM 0 HE1 TYR A 33 4.650 -19.438 -14.125 1.00 54.04 H new ATOM 0 HE2 TYR A 33 0.791 -20.394 -12.587 1.00 30.42 H new ATOM 0 HH TYR A 33 2.637 -18.024 -14.186 1.00 74.12 H new ATOM 502 N LYS A 34 4.303 -23.138 -7.681 1.00 22.44 N ATOM 503 CA LYS A 34 4.218 -24.040 -6.540 1.00 71.11 C ATOM 504 C LYS A 34 3.502 -25.332 -6.919 1.00 61.33 C ATOM 505 O LYS A 34 3.722 -26.377 -6.306 1.00 34.10 O ATOM 506 CB LYS A 34 3.487 -23.361 -5.380 1.00 63.35 C ATOM 507 CG LYS A 34 4.348 -23.176 -4.142 1.00 74.42 C ATOM 508 CD LYS A 34 4.648 -24.505 -3.469 1.00 23.11 C ATOM 509 CE LYS A 34 3.494 -24.957 -2.588 1.00 40.44 C ATOM 510 NZ LYS A 34 3.974 -25.561 -1.314 1.00 14.12 N1+ ATOM 0 H LYS A 34 3.600 -22.399 -7.687 1.00 22.44 H new ATOM 0 HA LYS A 34 5.233 -24.286 -6.228 1.00 71.11 H new ATOM 0 HB2 LYS A 34 3.126 -22.387 -5.710 1.00 63.35 H new ATOM 0 HB3 LYS A 34 2.611 -23.954 -5.117 1.00 63.35 H new ATOM 0 HG2 LYS A 34 5.283 -22.687 -4.417 1.00 74.42 H new ATOM 0 HG3 LYS A 34 3.839 -22.517 -3.438 1.00 74.42 H new ATOM 0 HD2 LYS A 34 4.846 -25.262 -4.228 1.00 23.11 H new ATOM 0 HD3 LYS A 34 5.552 -24.413 -2.867 1.00 23.11 H new ATOM 0 HE2 LYS A 34 2.851 -24.105 -2.367 1.00 40.44 H new ATOM 0 HE3 LYS A 34 2.887 -25.683 -3.128 1.00 40.44 H new ATOM 0 HZ1 LYS A 34 3.158 -25.857 -0.741 1.00 14.12 H new ATOM 0 HZ2 LYS A 34 4.568 -26.389 -1.524 1.00 14.12 H new ATOM 0 HZ3 LYS A 34 4.532 -24.860 -0.786 1.00 14.12 H new ATOM 524 N ILE A 35 2.647 -25.254 -7.933 1.00 74.33 N ATOM 525 CA ILE A 35 1.902 -26.417 -8.395 1.00 41.21 C ATOM 526 C ILE A 35 2.804 -27.380 -9.161 1.00 13.22 C ATOM 527 O ILE A 35 3.908 -27.020 -9.567 1.00 64.34 O ATOM 528 CB ILE A 35 0.722 -26.009 -9.298 1.00 4.04 C ATOM 529 CG1 ILE A 35 1.226 -25.203 -10.497 1.00 51.21 C ATOM 530 CG2 ILE A 35 -0.300 -25.209 -8.506 1.00 50.14 C ATOM 531 CD1 ILE A 35 0.140 -24.857 -11.492 1.00 21.34 C ATOM 0 H ILE A 35 2.453 -24.396 -8.450 1.00 74.33 H new ATOM 0 HA ILE A 35 1.514 -26.915 -7.507 1.00 41.21 H new ATOM 0 HB ILE A 35 0.237 -26.912 -9.669 1.00 4.04 H new ATOM 0 HG12 ILE A 35 1.686 -24.282 -10.138 1.00 51.21 H new ATOM 0 HG13 ILE A 35 2.005 -25.771 -11.005 1.00 51.21 H new ATOM 0 HG21 ILE A 35 -1.127 -24.928 -9.158 1.00 50.14 H new ATOM 0 HG22 ILE A 35 -0.677 -25.815 -7.682 1.00 50.14 H new ATOM 0 HG23 ILE A 35 0.170 -24.309 -8.109 1.00 50.14 H new ATOM 0 HD11 ILE A 35 0.569 -24.286 -12.315 1.00 21.34 H new ATOM 0 HD12 ILE A 35 -0.304 -25.774 -11.879 1.00 21.34 H new ATOM 0 HD13 ILE A 35 -0.629 -24.262 -10.999 1.00 21.34 H new ATOM 543 N TRP A 36 2.325 -28.603 -9.353 1.00 0.52 N ATOM 544 CA TRP A 36 3.088 -29.618 -10.072 1.00 12.24 C ATOM 545 C TRP A 36 3.014 -29.390 -11.578 1.00 54.20 C ATOM 546 O TRP A 36 3.990 -28.972 -12.202 1.00 54.23 O ATOM 547 CB TRP A 36 2.568 -31.015 -9.729 1.00 60.11 C ATOM 548 CG TRP A 36 3.002 -31.496 -8.378 1.00 60.44 C ATOM 549 CD1 TRP A 36 4.215 -31.286 -7.785 1.00 14.53 C ATOM 550 CD2 TRP A 36 2.230 -32.269 -7.454 1.00 42.44 C ATOM 551 NE1 TRP A 36 4.243 -31.881 -6.547 1.00 13.11 N ATOM 552 CE2 TRP A 36 3.036 -32.490 -6.320 1.00 53.23 C ATOM 553 CE3 TRP A 36 0.934 -32.793 -7.471 1.00 73.23 C ATOM 554 CZ2 TRP A 36 2.588 -33.215 -5.218 1.00 12.44 C ATOM 555 CZ3 TRP A 36 0.491 -33.512 -6.377 1.00 34.21 C ATOM 556 CH2 TRP A 36 1.316 -33.716 -5.263 1.00 14.31 C ATOM 0 H TRP A 36 1.413 -28.917 -9.022 1.00 0.52 H new ATOM 0 HA TRP A 36 4.130 -29.540 -9.763 1.00 12.24 H new ATOM 0 HB2 TRP A 36 1.479 -31.010 -9.772 1.00 60.11 H new ATOM 0 HB3 TRP A 36 2.914 -31.719 -10.486 1.00 60.11 H new ATOM 0 HD1 TRP A 36 5.032 -30.733 -8.225 1.00 14.53 H new ATOM 0 HE1 TRP A 36 5.033 -31.871 -5.902 1.00 13.11 H new ATOM 0 HE3 TRP A 36 0.290 -32.639 -8.324 1.00 73.23 H new ATOM 0 HZ2 TRP A 36 3.222 -33.376 -4.359 1.00 12.44 H new ATOM 0 HZ3 TRP A 36 -0.508 -33.923 -6.381 1.00 34.21 H new ATOM 0 HH2 TRP A 36 0.940 -34.280 -4.423 1.00 14.31 H new TER 567 TRP A 36