USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 263 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+ 177:sc= 0.936 (180deg=0.782) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 37:sc= -0.642 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot -79:sc= 1.27 USER MOD Single : A 24 SER OG : rot -5:sc= 0.619 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -64:sc= 2.2 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.651 0.189 -0.442 1.00 0.00 N ATOM 2 CA LYS A 1 -13.193 -0.989 -1.224 1.00 0.00 C ATOM 3 C LYS A 1 -11.734 -1.268 -0.916 1.00 0.00 C ATOM 4 O LYS A 1 -10.980 -0.347 -0.659 1.00 0.00 O ATOM 5 CB LYS A 1 -13.367 -0.697 -2.720 1.00 0.00 C ATOM 6 CG LYS A 1 -12.893 -1.831 -3.619 1.00 0.00 C ATOM 7 CD LYS A 1 -12.837 -1.413 -5.080 1.00 0.00 C ATOM 8 CE LYS A 1 -12.253 -2.520 -5.946 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.146 -2.114 -7.374 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.636 0.410 -0.692 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.591 -0.024 0.574 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.047 1.007 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.785 -1.864 -0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.419 -0.498 -2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -12.817 0.210 -2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.905 -2.160 -3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.563 -2.684 -3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -13.839 -1.165 -5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -12.232 -0.512 -5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.266 -2.791 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.878 -3.409 -5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.744 -2.897 -7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.091 -1.880 -7.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.528 -1.281 -7.453 1.00 0.00 H new ATOM 25 N CYS A 2 -11.315 -2.521 -0.941 1.00 0.00 N ATOM 26 CA CYS A 2 -9.929 -2.800 -0.640 1.00 0.00 C ATOM 27 C CYS A 2 -9.041 -2.460 -1.820 1.00 0.00 C ATOM 28 O CYS A 2 -9.441 -2.563 -2.984 1.00 0.00 O ATOM 29 CB CYS A 2 -9.707 -4.246 -0.186 1.00 0.00 C ATOM 30 SG CYS A 2 -10.110 -5.527 -1.417 1.00 0.00 S ATOM 0 H CYS A 2 -11.893 -3.333 -1.159 1.00 0.00 H new ATOM 0 HA CYS A 2 -9.652 -2.161 0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -8.662 -4.361 0.103 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -10.306 -4.424 0.707 1.00 0.00 H new ATOM 35 N LEU A 3 -7.852 -2.011 -1.485 1.00 0.00 N ATOM 36 CA LEU A 3 -6.864 -1.597 -2.463 1.00 0.00 C ATOM 37 C LEU A 3 -6.170 -2.814 -3.071 1.00 0.00 C ATOM 38 O LEU A 3 -5.858 -3.770 -2.373 1.00 0.00 O ATOM 39 CB LEU A 3 -5.871 -0.658 -1.782 1.00 0.00 C ATOM 40 CG LEU A 3 -6.493 0.619 -1.204 1.00 0.00 C ATOM 41 CD1 LEU A 3 -5.451 1.436 -0.458 1.00 0.00 C ATOM 42 CD2 LEU A 3 -7.128 1.451 -2.308 1.00 0.00 C ATOM 0 H LEU A 3 -7.538 -1.921 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.346 -1.066 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.372 -1.199 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.103 -0.378 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.271 0.328 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.914 2.337 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.041 0.843 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.649 1.714 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.564 2.353 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.368 1.728 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.908 0.869 -2.799 1.00 0.00 H new ATOM 54 N ALA A 4 -5.963 -2.792 -4.378 1.00 0.00 N ATOM 55 CA ALA A 4 -5.356 -3.923 -5.073 1.00 0.00 C ATOM 56 C ALA A 4 -3.841 -3.988 -4.891 1.00 0.00 C ATOM 57 O ALA A 4 -3.243 -3.166 -4.193 1.00 0.00 O ATOM 58 CB ALA A 4 -5.705 -3.868 -6.552 1.00 0.00 C ATOM 0 H ALA A 4 -6.205 -2.006 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.765 -4.830 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.249 -4.715 -7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.787 -3.911 -6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.329 -2.939 -6.980 1.00 0.00 H new ATOM 64 N GLU A 5 -3.238 -4.987 -5.524 1.00 0.00 N ATOM 65 CA GLU A 5 -1.806 -5.200 -5.455 1.00 0.00 C ATOM 66 C GLU A 5 -1.057 -4.116 -6.208 1.00 0.00 C ATOM 67 O GLU A 5 -1.436 -3.732 -7.315 1.00 0.00 O ATOM 68 CB GLU A 5 -1.450 -6.578 -6.010 1.00 0.00 C ATOM 69 CG GLU A 5 -2.032 -6.861 -7.385 1.00 0.00 C ATOM 70 CD GLU A 5 -1.782 -8.282 -7.838 1.00 0.00 C ATOM 71 OE1 GLU A 5 -1.174 -9.054 -7.064 1.00 0.00 O ATOM 72 OE2 GLU A 5 -2.201 -8.629 -8.958 1.00 0.00 O ATOM 0 H GLU A 5 -3.732 -5.670 -6.098 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.504 -5.153 -4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.365 -6.668 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.801 -7.340 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.105 -6.672 -7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.599 -6.171 -8.109 1.00 0.00 H new ATOM 79 N ALA A 6 -0.010 -3.615 -5.569 1.00 0.00 N ATOM 80 CA ALA A 6 0.820 -2.549 -6.117 1.00 0.00 C ATOM 81 C ALA A 6 -0.030 -1.336 -6.446 1.00 0.00 C ATOM 82 O ALA A 6 0.164 -0.682 -7.471 1.00 0.00 O ATOM 83 CB ALA A 6 1.582 -3.036 -7.344 1.00 0.00 C ATOM 0 H ALA A 6 0.291 -3.938 -4.649 1.00 0.00 H new ATOM 0 HA ALA A 6 1.553 -2.257 -5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.195 -2.225 -7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.222 -3.873 -7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.874 -3.359 -8.108 1.00 0.00 H new ATOM 89 N ALA A 7 -0.977 -1.045 -5.569 1.00 0.00 N ATOM 90 CA ALA A 7 -1.870 0.089 -5.782 1.00 0.00 C ATOM 91 C ALA A 7 -1.625 1.178 -4.757 1.00 0.00 C ATOM 92 O ALA A 7 -1.479 0.889 -3.574 1.00 0.00 O ATOM 93 CB ALA A 7 -3.322 -0.360 -5.740 1.00 0.00 C ATOM 0 H ALA A 7 -1.149 -1.570 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.659 0.500 -6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.973 0.499 -5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.497 -1.099 -6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.538 -0.802 -4.767 1.00 0.00 H new ATOM 99 N ASP A 8 -1.582 2.422 -5.218 1.00 0.00 N ATOM 100 CA ASP A 8 -1.355 3.566 -4.337 1.00 0.00 C ATOM 101 C ASP A 8 -2.417 3.595 -3.239 1.00 0.00 C ATOM 102 O ASP A 8 -3.582 3.264 -3.481 1.00 0.00 O ATOM 103 CB ASP A 8 -1.369 4.869 -5.144 1.00 0.00 C ATOM 104 CG ASP A 8 -0.582 5.984 -4.475 1.00 0.00 C ATOM 105 OD1 ASP A 8 -1.022 6.484 -3.421 1.00 0.00 O ATOM 106 OD2 ASP A 8 0.491 6.349 -5.008 1.00 0.00 O ATOM 0 H ASP A 8 -1.702 2.667 -6.201 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.375 3.468 -3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.955 4.682 -6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.400 5.193 -5.285 1.00 0.00 H new ATOM 111 N CYS A 9 -2.008 3.956 -2.037 1.00 0.00 N ATOM 112 CA CYS A 9 -2.919 3.995 -0.904 1.00 0.00 C ATOM 113 C CYS A 9 -3.772 5.260 -0.932 1.00 0.00 C ATOM 114 O CYS A 9 -3.474 6.210 -1.650 1.00 0.00 O ATOM 115 CB CYS A 9 -2.139 3.891 0.409 1.00 0.00 C ATOM 116 SG CYS A 9 -0.953 2.499 0.449 1.00 0.00 S ATOM 0 H CYS A 9 -1.049 4.227 -1.818 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.591 3.140 -0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.598 4.823 0.575 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.844 3.780 1.233 1.00 0.00 H new ATOM 121 N SER A 10 -4.849 5.258 -0.164 1.00 0.00 N ATOM 122 CA SER A 10 -5.755 6.391 -0.120 1.00 0.00 C ATOM 123 C SER A 10 -5.198 7.514 0.754 1.00 0.00 C ATOM 124 O SER A 10 -5.025 7.341 1.961 1.00 0.00 O ATOM 125 CB SER A 10 -7.105 5.925 0.416 1.00 0.00 C ATOM 126 OG SER A 10 -6.939 5.225 1.637 1.00 0.00 O ATOM 0 H SER A 10 -5.117 4.480 0.439 1.00 0.00 H new ATOM 0 HA SER A 10 -5.872 6.788 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.759 6.784 0.568 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.591 5.280 -0.316 1.00 0.00 H new ATOM 0 HG SER A 10 -6.219 5.639 2.156 1.00 0.00 H new ATOM 132 N PRO A 11 -4.896 8.675 0.150 1.00 0.00 N ATOM 133 CA PRO A 11 -4.347 9.826 0.866 1.00 0.00 C ATOM 134 C PRO A 11 -5.421 10.606 1.622 1.00 0.00 C ATOM 135 O PRO A 11 -5.325 10.799 2.831 1.00 0.00 O ATOM 136 CB PRO A 11 -3.742 10.697 -0.250 1.00 0.00 C ATOM 137 CG PRO A 11 -3.928 9.930 -1.524 1.00 0.00 C ATOM 138 CD PRO A 11 -5.042 8.958 -1.278 1.00 0.00 C ATOM 0 HA PRO A 11 -3.625 9.521 1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.240 11.665 -0.302 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.686 10.892 -0.063 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.173 10.600 -2.348 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.012 9.408 -1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.016 9.388 -1.510 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.938 8.058 -1.884 1.00 0.00 H new ATOM 146 N TRP A 12 -6.442 11.056 0.898 1.00 0.00 N ATOM 147 CA TRP A 12 -7.530 11.816 1.502 1.00 0.00 C ATOM 148 C TRP A 12 -8.586 10.878 2.072 1.00 0.00 C ATOM 149 O TRP A 12 -9.131 11.114 3.148 1.00 0.00 O ATOM 150 CB TRP A 12 -8.175 12.756 0.479 1.00 0.00 C ATOM 151 CG TRP A 12 -7.225 13.756 -0.109 1.00 0.00 C ATOM 152 CD1 TRP A 12 -6.934 14.995 0.383 1.00 0.00 C ATOM 153 CD2 TRP A 12 -6.464 13.614 -1.316 1.00 0.00 C ATOM 154 NE1 TRP A 12 -6.024 15.624 -0.431 1.00 0.00 N ATOM 155 CE2 TRP A 12 -5.723 14.800 -1.483 1.00 0.00 C ATOM 156 CE3 TRP A 12 -6.332 12.600 -2.267 1.00 0.00 C ATOM 157 CZ2 TRP A 12 -4.864 14.997 -2.562 1.00 0.00 C ATOM 158 CZ3 TRP A 12 -5.481 12.796 -3.339 1.00 0.00 C ATOM 159 CH2 TRP A 12 -4.757 13.986 -3.478 1.00 0.00 C ATOM 0 H TRP A 12 -6.538 10.907 -0.107 1.00 0.00 H new ATOM 0 HA TRP A 12 -7.109 12.414 2.311 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.605 12.161 -0.326 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.998 13.288 0.957 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.357 15.419 1.281 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.635 16.554 -0.277 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -6.885 11.678 -2.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.303 15.914 -2.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -5.373 12.019 -4.081 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.100 14.109 -4.326 1.00 0.00 H new ATOM 170 N SER A 13 -8.872 9.815 1.336 1.00 0.00 N ATOM 171 CA SER A 13 -9.859 8.837 1.762 1.00 0.00 C ATOM 172 C SER A 13 -9.202 7.768 2.633 1.00 0.00 C ATOM 173 O SER A 13 -8.084 7.955 3.111 1.00 0.00 O ATOM 174 CB SER A 13 -10.513 8.206 0.534 1.00 0.00 C ATOM 175 OG SER A 13 -10.925 9.207 -0.382 1.00 0.00 O ATOM 0 H SER A 13 -8.433 9.608 0.439 1.00 0.00 H new ATOM 0 HA SER A 13 -10.627 9.333 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.810 7.529 0.049 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.372 7.609 0.839 1.00 0.00 H new ATOM 0 HG SER A 13 -11.340 8.785 -1.163 1.00 0.00 H new ATOM 181 N GLY A 14 -9.877 6.644 2.821 1.00 0.00 N ATOM 182 CA GLY A 14 -9.311 5.584 3.620 1.00 0.00 C ATOM 183 C GLY A 14 -9.955 4.250 3.344 1.00 0.00 C ATOM 184 O GLY A 14 -11.177 4.125 3.371 1.00 0.00 O ATOM 0 H GLY A 14 -10.801 6.450 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.241 5.516 3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.425 5.828 4.676 1.00 0.00 H new ATOM 188 N ASP A 15 -9.115 3.264 3.092 1.00 0.00 N ATOM 189 CA ASP A 15 -9.549 1.901 2.812 1.00 0.00 C ATOM 190 C ASP A 15 -8.404 0.947 3.068 1.00 0.00 C ATOM 191 O ASP A 15 -7.235 1.317 2.956 1.00 0.00 O ATOM 192 CB ASP A 15 -10.019 1.732 1.364 1.00 0.00 C ATOM 193 CG ASP A 15 -11.534 1.741 1.217 1.00 0.00 C ATOM 194 OD1 ASP A 15 -12.231 1.245 2.128 1.00 0.00 O ATOM 195 OD2 ASP A 15 -12.033 2.161 0.146 1.00 0.00 O ATOM 0 H ASP A 15 -8.102 3.384 3.075 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.391 1.683 3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.597 2.533 0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.628 0.794 0.970 1.00 0.00 H new ATOM 200 N SER A 16 -8.739 -0.277 3.407 1.00 0.00 N ATOM 201 CA SER A 16 -7.737 -1.291 3.670 1.00 0.00 C ATOM 202 C SER A 16 -7.363 -2.001 2.376 1.00 0.00 C ATOM 203 O SER A 16 -8.196 -2.169 1.495 1.00 0.00 O ATOM 204 CB SER A 16 -8.260 -2.297 4.690 1.00 0.00 C ATOM 205 OG SER A 16 -8.866 -1.630 5.783 1.00 0.00 O ATOM 0 H SER A 16 -9.702 -0.598 3.508 1.00 0.00 H new ATOM 0 HA SER A 16 -6.848 -0.810 4.079 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.983 -2.961 4.216 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.440 -2.921 5.047 1.00 0.00 H new ATOM 0 HG SER A 16 -9.197 -2.291 6.427 1.00 0.00 H new ATOM 211 N CYS A 17 -6.117 -2.416 2.264 1.00 0.00 N ATOM 212 CA CYS A 17 -5.653 -3.113 1.074 1.00 0.00 C ATOM 213 C CYS A 17 -6.190 -4.543 1.070 1.00 0.00 C ATOM 214 O CYS A 17 -6.315 -5.161 2.129 1.00 0.00 O ATOM 215 CB CYS A 17 -4.125 -3.137 1.036 1.00 0.00 C ATOM 216 SG CYS A 17 -3.344 -1.547 1.463 1.00 0.00 S ATOM 0 H CYS A 17 -5.404 -2.284 2.982 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.020 -2.586 0.193 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.767 -3.902 1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.802 -3.432 0.038 1.00 0.00 H new ATOM 221 N CYS A 18 -6.498 -5.062 -0.110 1.00 0.00 N ATOM 222 CA CYS A 18 -6.999 -6.423 -0.246 1.00 0.00 C ATOM 223 C CYS A 18 -5.962 -7.391 0.277 1.00 0.00 C ATOM 224 O CYS A 18 -4.766 -7.170 0.121 1.00 0.00 O ATOM 225 CB CYS A 18 -7.299 -6.761 -1.712 1.00 0.00 C ATOM 226 SG CYS A 18 -8.440 -5.618 -2.573 1.00 0.00 S ATOM 0 H CYS A 18 -6.409 -4.558 -0.992 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.923 -6.505 0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.357 -6.786 -2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.720 -7.766 -1.755 1.00 0.00 H new ATOM 231 N LYS A 19 -6.416 -8.456 0.895 1.00 0.00 N ATOM 232 CA LYS A 19 -5.514 -9.445 1.436 1.00 0.00 C ATOM 233 C LYS A 19 -4.992 -10.343 0.319 1.00 0.00 C ATOM 234 O LYS A 19 -5.714 -10.638 -0.633 1.00 0.00 O ATOM 235 CB LYS A 19 -6.225 -10.272 2.506 1.00 0.00 C ATOM 236 CG LYS A 19 -7.484 -10.971 2.015 1.00 0.00 C ATOM 237 CD LYS A 19 -8.118 -11.814 3.109 1.00 0.00 C ATOM 238 CE LYS A 19 -9.359 -12.534 2.607 1.00 0.00 C ATOM 239 NZ LYS A 19 -9.976 -13.383 3.664 1.00 0.00 N ATOM 0 H LYS A 19 -7.405 -8.660 1.036 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.665 -8.940 1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.533 -11.021 2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.486 -9.621 3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.201 -10.228 1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.240 -11.604 1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.395 -12.544 3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.382 -11.178 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.087 -11.802 2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.097 -13.155 1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.819 -13.856 3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.290 -14.099 3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.250 -12.788 4.471 1.00 0.00 H new ATOM 253 N PRO A 20 -3.724 -10.771 0.407 1.00 0.00 N ATOM 254 CA PRO A 20 -2.831 -10.451 1.509 1.00 0.00 C ATOM 255 C PRO A 20 -1.860 -9.299 1.209 1.00 0.00 C ATOM 256 O PRO A 20 -0.651 -9.445 1.386 1.00 0.00 O ATOM 257 CB PRO A 20 -2.066 -11.763 1.663 1.00 0.00 C ATOM 258 CG PRO A 20 -1.999 -12.343 0.276 1.00 0.00 C ATOM 259 CD PRO A 20 -3.049 -11.641 -0.561 1.00 0.00 C ATOM 0 HA PRO A 20 -3.369 -10.109 2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.068 -11.592 2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.577 -12.439 2.349 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.007 -12.199 -0.153 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.183 -13.417 0.300 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.600 -11.068 -1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.741 -12.350 -1.016 1.00 0.00 H new ATOM 267 N TYR A 21 -2.373 -8.162 0.758 1.00 0.00 N ATOM 268 CA TYR A 21 -1.515 -7.019 0.461 1.00 0.00 C ATOM 269 C TYR A 21 -1.651 -5.960 1.546 1.00 0.00 C ATOM 270 O TYR A 21 -2.718 -5.787 2.134 1.00 0.00 O ATOM 271 CB TYR A 21 -1.834 -6.432 -0.920 1.00 0.00 C ATOM 272 CG TYR A 21 -1.901 -7.483 -2.007 1.00 0.00 C ATOM 273 CD1 TYR A 21 -0.746 -7.947 -2.618 1.00 0.00 C ATOM 274 CD2 TYR A 21 -3.118 -8.017 -2.413 1.00 0.00 C ATOM 275 CE1 TYR A 21 -0.798 -8.915 -3.602 1.00 0.00 C ATOM 276 CE2 TYR A 21 -3.179 -8.983 -3.398 1.00 0.00 C ATOM 277 CZ TYR A 21 -2.016 -9.430 -3.988 1.00 0.00 C ATOM 278 OH TYR A 21 -2.070 -10.394 -4.965 1.00 0.00 O ATOM 0 H TYR A 21 -3.367 -8.005 0.591 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.481 -7.364 0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.786 -5.904 -0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.074 -5.696 -1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.211 -7.545 -2.319 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.031 -7.671 -1.951 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.112 -9.266 -4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.133 -9.386 -3.705 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.976 -9.973 -5.845 1.00 0.00 H new ATOM 288 N LEU A 22 -0.556 -5.273 1.824 1.00 0.00 N ATOM 289 CA LEU A 22 -0.525 -4.249 2.855 1.00 0.00 C ATOM 290 C LEU A 22 0.040 -2.942 2.303 1.00 0.00 C ATOM 291 O LEU A 22 0.957 -2.955 1.481 1.00 0.00 O ATOM 292 CB LEU A 22 0.335 -4.740 4.023 1.00 0.00 C ATOM 293 CG LEU A 22 0.471 -3.774 5.200 1.00 0.00 C ATOM 294 CD1 LEU A 22 -0.860 -3.618 5.918 1.00 0.00 C ATOM 295 CD2 LEU A 22 1.546 -4.255 6.163 1.00 0.00 C ATOM 0 H LEU A 22 0.334 -5.408 1.344 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.542 -4.060 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.086 -5.675 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.332 -4.966 3.646 1.00 0.00 H new ATOM 0 HG LEU A 22 0.768 -2.799 4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.744 -2.927 6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.604 -3.227 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.187 -4.588 6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.629 -3.555 6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.279 -5.241 6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.501 -4.314 5.642 1.00 0.00 H new ATOM 307 N CYS A 23 -0.510 -1.821 2.761 1.00 0.00 N ATOM 308 CA CYS A 23 -0.051 -0.509 2.320 1.00 0.00 C ATOM 309 C CYS A 23 1.368 -0.274 2.811 1.00 0.00 C ATOM 310 O CYS A 23 1.637 -0.328 4.012 1.00 0.00 O ATOM 311 CB CYS A 23 -0.982 0.598 2.836 1.00 0.00 C ATOM 312 SG CYS A 23 -0.451 2.293 2.408 1.00 0.00 S ATOM 0 H CYS A 23 -1.274 -1.796 3.437 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.065 -0.482 1.230 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.982 0.431 2.434 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.056 0.517 3.920 1.00 0.00 H new ATOM 317 N SER A 24 2.274 -0.027 1.885 1.00 0.00 N ATOM 318 CA SER A 24 3.661 0.204 2.229 1.00 0.00 C ATOM 319 C SER A 24 4.141 1.514 1.632 1.00 0.00 C ATOM 320 O SER A 24 3.799 1.848 0.501 1.00 0.00 O ATOM 321 CB SER A 24 4.522 -0.960 1.735 1.00 0.00 C ATOM 322 OG SER A 24 4.302 -1.213 0.359 1.00 0.00 O ATOM 0 H SER A 24 2.072 0.019 0.886 1.00 0.00 H new ATOM 0 HA SER A 24 3.751 0.269 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.575 -0.733 1.902 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.294 -1.855 2.313 1.00 0.00 H new ATOM 0 HG SER A 24 3.583 -0.634 0.031 1.00 0.00 H new ATOM 328 N CYS A 25 4.926 2.251 2.391 1.00 0.00 N ATOM 329 CA CYS A 25 5.447 3.522 1.929 1.00 0.00 C ATOM 330 C CYS A 25 6.921 3.609 2.286 1.00 0.00 C ATOM 331 O CYS A 25 7.285 3.953 3.410 1.00 0.00 O ATOM 332 CB CYS A 25 4.665 4.677 2.561 1.00 0.00 C ATOM 333 SG CYS A 25 4.595 6.179 1.531 1.00 0.00 S ATOM 0 H CYS A 25 5.218 1.991 3.333 1.00 0.00 H new ATOM 0 HA CYS A 25 5.335 3.595 0.847 1.00 0.00 H new ATOM 0 HB2 CYS A 25 3.648 4.343 2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.119 4.928 3.520 1.00 0.00 H new ATOM 338 N ILE A 26 7.761 3.267 1.325 1.00 0.00 N ATOM 339 CA ILE A 26 9.199 3.284 1.522 1.00 0.00 C ATOM 340 C ILE A 26 9.844 4.417 0.729 1.00 0.00 C ATOM 341 O ILE A 26 9.161 5.317 0.249 1.00 0.00 O ATOM 342 CB ILE A 26 9.860 1.923 1.159 1.00 0.00 C ATOM 343 CG1 ILE A 26 9.411 1.412 -0.222 1.00 0.00 C ATOM 344 CG2 ILE A 26 9.557 0.884 2.236 1.00 0.00 C ATOM 345 CD1 ILE A 26 8.077 0.684 -0.222 1.00 0.00 C ATOM 0 H ILE A 26 7.468 2.972 0.393 1.00 0.00 H new ATOM 0 HA ILE A 26 9.370 3.456 2.585 1.00 0.00 H new ATOM 0 HB ILE A 26 10.937 2.085 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.348 2.259 -0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 26 10.176 0.742 -0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.025 -0.063 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.950 1.227 3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.479 0.746 2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.840 0.359 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.137 -0.185 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.296 1.355 0.136 1.00 0.00 H new ATOM 357 N PHE A 27 11.162 4.382 0.634 1.00 0.00 N ATOM 358 CA PHE A 27 11.916 5.421 -0.063 1.00 0.00 C ATOM 359 C PHE A 27 11.726 5.377 -1.580 1.00 0.00 C ATOM 360 O PHE A 27 11.306 6.358 -2.188 1.00 0.00 O ATOM 361 CB PHE A 27 13.406 5.288 0.253 1.00 0.00 C ATOM 362 CG PHE A 27 13.787 5.705 1.651 1.00 0.00 C ATOM 363 CD1 PHE A 27 13.189 5.123 2.759 1.00 0.00 C ATOM 364 CD2 PHE A 27 14.754 6.677 1.852 1.00 0.00 C ATOM 365 CE1 PHE A 27 13.545 5.505 4.038 1.00 0.00 C ATOM 366 CE2 PHE A 27 15.115 7.062 3.129 1.00 0.00 C ATOM 367 CZ PHE A 27 14.510 6.476 4.223 1.00 0.00 C ATOM 0 H PHE A 27 11.739 3.642 1.032 1.00 0.00 H new ATOM 0 HA PHE A 27 11.530 6.376 0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 27 13.706 4.251 0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 27 13.971 5.890 -0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.436 4.362 2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 27 15.231 7.139 1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 27 13.070 5.045 4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 27 15.870 7.821 3.271 1.00 0.00 H new ATOM 0 HZ PHE A 27 14.791 6.776 5.222 1.00 0.00 H new ATOM 377 N PHE A 28 12.081 4.252 -2.188 1.00 0.00 N ATOM 378 CA PHE A 28 11.991 4.105 -3.638 1.00 0.00 C ATOM 379 C PHE A 28 10.545 3.951 -4.105 1.00 0.00 C ATOM 380 O PHE A 28 10.177 4.421 -5.180 1.00 0.00 O ATOM 381 CB PHE A 28 12.831 2.910 -4.101 1.00 0.00 C ATOM 382 CG PHE A 28 13.071 2.876 -5.586 1.00 0.00 C ATOM 383 CD1 PHE A 28 13.390 4.035 -6.277 1.00 0.00 C ATOM 384 CD2 PHE A 28 12.981 1.686 -6.288 1.00 0.00 C ATOM 385 CE1 PHE A 28 13.614 4.006 -7.640 1.00 0.00 C ATOM 386 CE2 PHE A 28 13.204 1.651 -7.652 1.00 0.00 C ATOM 387 CZ PHE A 28 13.521 2.813 -8.328 1.00 0.00 C ATOM 0 H PHE A 28 12.434 3.428 -1.701 1.00 0.00 H new ATOM 0 HA PHE A 28 12.385 5.016 -4.088 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.792 2.933 -3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.331 1.989 -3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.464 4.971 -5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.734 0.775 -5.764 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.862 4.916 -8.167 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.130 0.716 -8.188 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.696 2.788 -9.393 1.00 0.00 H new ATOM 397 N TYR A 29 9.728 3.292 -3.300 1.00 0.00 N ATOM 398 CA TYR A 29 8.327 3.092 -3.652 1.00 0.00 C ATOM 399 C TYR A 29 7.420 3.932 -2.769 1.00 0.00 C ATOM 400 O TYR A 29 7.509 3.873 -1.543 1.00 0.00 O ATOM 401 CB TYR A 29 7.924 1.620 -3.537 1.00 0.00 C ATOM 402 CG TYR A 29 8.398 0.741 -4.675 1.00 0.00 C ATOM 403 CD1 TYR A 29 9.748 0.613 -4.980 1.00 0.00 C ATOM 404 CD2 TYR A 29 7.484 0.029 -5.440 1.00 0.00 C ATOM 405 CE1 TYR A 29 10.170 -0.198 -6.016 1.00 0.00 C ATOM 406 CE2 TYR A 29 7.899 -0.784 -6.476 1.00 0.00 C ATOM 407 CZ TYR A 29 9.242 -0.893 -6.761 1.00 0.00 C ATOM 408 OH TYR A 29 9.655 -1.702 -7.792 1.00 0.00 O ATOM 0 H TYR A 29 10.005 2.888 -2.405 1.00 0.00 H new ATOM 0 HA TYR A 29 8.211 3.406 -4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.317 1.222 -2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.837 1.559 -3.478 1.00 0.00 H new ATOM 0 HD1 TYR A 29 10.478 1.156 -4.398 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.430 0.113 -5.221 1.00 0.00 H new ATOM 0 HE1 TYR A 29 11.223 -0.287 -6.241 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.174 -1.332 -7.060 1.00 0.00 H new ATOM 0 HH TYR A 29 8.875 -2.119 -8.213 1.00 0.00 H new ATOM 418 N PRO A 30 6.520 4.711 -3.385 1.00 0.00 N ATOM 419 CA PRO A 30 5.574 5.562 -2.658 1.00 0.00 C ATOM 420 C PRO A 30 4.525 4.744 -1.912 1.00 0.00 C ATOM 421 O PRO A 30 4.506 3.513 -2.004 1.00 0.00 O ATOM 422 CB PRO A 30 4.923 6.399 -3.761 1.00 0.00 C ATOM 423 CG PRO A 30 5.061 5.579 -4.996 1.00 0.00 C ATOM 424 CD PRO A 30 6.345 4.810 -4.844 1.00 0.00 C ATOM 0 HA PRO A 30 6.066 6.162 -1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.876 6.602 -3.537 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.419 7.364 -3.870 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.213 4.904 -5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.088 6.212 -5.883 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.280 3.826 -5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.181 5.329 -5.314 1.00 0.00 H new ATOM 432 N CYS A 31 3.658 5.434 -1.179 1.00 0.00 N ATOM 433 CA CYS A 31 2.603 4.781 -0.411 1.00 0.00 C ATOM 434 C CYS A 31 1.706 3.956 -1.330 1.00 0.00 C ATOM 435 O CYS A 31 0.859 4.490 -2.032 1.00 0.00 O ATOM 436 CB CYS A 31 1.764 5.824 0.337 1.00 0.00 C ATOM 437 SG CYS A 31 2.648 6.760 1.642 1.00 0.00 S ATOM 0 H CYS A 31 3.665 6.451 -1.100 1.00 0.00 H new ATOM 0 HA CYS A 31 3.070 4.115 0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.367 6.534 -0.389 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.910 5.321 0.791 1.00 0.00 H new ATOM 442 N SER A 32 1.912 2.651 -1.326 1.00 0.00 N ATOM 443 CA SER A 32 1.141 1.756 -2.165 1.00 0.00 C ATOM 444 C SER A 32 1.081 0.365 -1.551 1.00 0.00 C ATOM 445 O SER A 32 2.068 -0.121 -0.993 1.00 0.00 O ATOM 446 CB SER A 32 1.763 1.702 -3.562 1.00 0.00 C ATOM 447 OG SER A 32 3.179 1.585 -3.487 1.00 0.00 O ATOM 0 H SER A 32 2.612 2.187 -0.747 1.00 0.00 H new ATOM 0 HA SER A 32 0.121 2.132 -2.244 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.354 0.856 -4.113 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.498 2.602 -4.117 1.00 0.00 H new ATOM 0 HG SER A 32 3.552 2.388 -3.067 1.00 0.00 H new ATOM 453 N CYS A 33 -0.075 -0.272 -1.655 1.00 0.00 N ATOM 454 CA CYS A 33 -0.256 -1.604 -1.122 1.00 0.00 C ATOM 455 C CYS A 33 0.513 -2.592 -1.969 1.00 0.00 C ATOM 456 O CYS A 33 0.359 -2.621 -3.197 1.00 0.00 O ATOM 457 CB CYS A 33 -1.735 -1.997 -1.082 1.00 0.00 C ATOM 458 SG CYS A 33 -2.822 -0.746 -0.329 1.00 0.00 S ATOM 0 H CYS A 33 -0.902 0.118 -2.106 1.00 0.00 H new ATOM 0 HA CYS A 33 0.120 -1.616 -0.099 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.075 -2.192 -2.099 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.836 -2.930 -0.528 1.00 0.00 H new ATOM 463 N ARG A 34 1.331 -3.384 -1.298 1.00 0.00 N ATOM 464 CA ARG A 34 2.158 -4.406 -1.918 1.00 0.00 C ATOM 465 C ARG A 34 1.981 -5.676 -1.101 1.00 0.00 C ATOM 466 O ARG A 34 1.470 -5.600 0.015 1.00 0.00 O ATOM 467 CB ARG A 34 3.639 -3.984 -1.907 1.00 0.00 C ATOM 468 CG ARG A 34 3.892 -2.570 -2.410 1.00 0.00 C ATOM 469 CD ARG A 34 3.833 -2.477 -3.924 1.00 0.00 C ATOM 470 NE ARG A 34 3.856 -1.085 -4.377 1.00 0.00 N ATOM 471 CZ ARG A 34 4.058 -0.704 -5.637 1.00 0.00 C ATOM 472 NH1 ARG A 34 4.352 -1.600 -6.574 1.00 0.00 N ATOM 473 NH2 ARG A 34 3.985 0.583 -5.951 1.00 0.00 N ATOM 0 H ARG A 34 1.442 -3.334 -0.285 1.00 0.00 H new ATOM 0 HA ARG A 34 1.863 -4.558 -2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.021 -4.069 -0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.208 -4.682 -2.521 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.153 -1.896 -1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.870 -2.234 -2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.677 -3.015 -4.356 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.926 -2.963 -4.284 1.00 0.00 H new ATOM 0 HE ARG A 34 3.707 -0.356 -3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.424 -2.588 -6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.505 -1.300 -7.537 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.775 1.273 -5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.139 0.883 -6.914 1.00 0.00 H new ATOM 487 N PRO A 35 2.380 -6.850 -1.620 1.00 0.00 N ATOM 488 CA PRO A 35 2.248 -8.114 -0.885 1.00 0.00 C ATOM 489 C PRO A 35 2.736 -7.978 0.557 1.00 0.00 C ATOM 490 O PRO A 35 3.733 -7.303 0.819 1.00 0.00 O ATOM 491 CB PRO A 35 3.148 -9.069 -1.666 1.00 0.00 C ATOM 492 CG PRO A 35 3.160 -8.535 -3.058 1.00 0.00 C ATOM 493 CD PRO A 35 2.983 -7.042 -2.950 1.00 0.00 C ATOM 0 HA PRO A 35 1.214 -8.450 -0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.153 -9.097 -1.245 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.762 -10.088 -1.637 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.097 -8.779 -3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.359 -8.978 -3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.936 -6.520 -3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.337 -6.658 -3.740 1.00 0.00 H new ATOM 501 N LYS A 36 2.029 -8.592 1.494 1.00 0.00 N ATOM 502 CA LYS A 36 2.408 -8.493 2.891 1.00 0.00 C ATOM 503 C LYS A 36 3.594 -9.406 3.158 1.00 0.00 C ATOM 504 O LYS A 36 3.457 -10.627 3.236 1.00 0.00 O ATOM 505 CB LYS A 36 1.216 -8.849 3.795 1.00 0.00 C ATOM 506 CG LYS A 36 1.430 -8.563 5.279 1.00 0.00 C ATOM 507 CD LYS A 36 2.139 -9.710 5.984 1.00 0.00 C ATOM 508 CE LYS A 36 2.329 -9.426 7.464 1.00 0.00 C ATOM 509 NZ LYS A 36 3.002 -10.557 8.160 1.00 0.00 N ATOM 0 H LYS A 36 1.199 -9.157 1.313 1.00 0.00 H new ATOM 0 HA LYS A 36 2.700 -7.468 3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.342 -8.294 3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.989 -9.908 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.016 -7.651 5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.467 -8.384 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.562 -10.626 5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.110 -9.880 5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.921 -8.519 7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.360 -9.239 7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.114 -10.327 9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.425 -11.417 8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.938 -10.719 7.735 1.00 0.00 H new ATOM 523 N GLY A 37 4.762 -8.791 3.259 1.00 0.00 N ATOM 524 CA GLY A 37 5.985 -9.534 3.473 1.00 0.00 C ATOM 525 C GLY A 37 6.741 -9.709 2.174 1.00 0.00 C ATOM 526 O GLY A 37 7.207 -10.802 1.857 1.00 0.00 O ATOM 0 H GLY A 37 4.885 -7.780 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.611 -9.012 4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.753 -10.510 3.899 1.00 0.00 H new ATOM 530 N TRP A 38 6.835 -8.618 1.421 1.00 0.00 N ATOM 531 CA TRP A 38 7.519 -8.615 0.137 1.00 0.00 C ATOM 532 C TRP A 38 9.033 -8.564 0.339 1.00 0.00 C ATOM 533 O TRP A 38 9.770 -8.886 -0.617 1.00 0.00 O ATOM 534 CB TRP A 38 7.043 -7.419 -0.707 1.00 0.00 C ATOM 535 CG TRP A 38 7.614 -6.092 -0.281 1.00 0.00 C ATOM 536 CD1 TRP A 38 8.666 -5.439 -0.857 1.00 0.00 C ATOM 537 CD2 TRP A 38 7.183 -5.267 0.812 1.00 0.00 C ATOM 538 NE1 TRP A 38 8.911 -4.261 -0.198 1.00 0.00 N ATOM 539 CE2 TRP A 38 8.019 -4.133 0.831 1.00 0.00 C ATOM 540 CE3 TRP A 38 6.176 -5.373 1.775 1.00 0.00 C ATOM 541 CZ2 TRP A 38 7.876 -3.117 1.774 1.00 0.00 C ATOM 542 CZ3 TRP A 38 6.036 -4.366 2.709 1.00 0.00 C ATOM 543 CH2 TRP A 38 6.882 -3.250 2.702 1.00 0.00 C ATOM 544 OXT TRP A 38 9.467 -8.192 1.452 1.00 0.00 O ATOM 0 H TRP A 38 6.440 -7.715 1.684 1.00 0.00 H new ATOM 0 HA TRP A 38 7.278 -9.536 -0.394 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.307 -7.597 -1.749 1.00 0.00 H new ATOM 0 HB3 TRP A 38 5.955 -7.365 -0.659 1.00 0.00 H new ATOM 0 HD1 TRP A 38 9.225 -5.798 -1.709 1.00 0.00 H new ATOM 0 HE1 TRP A 38 9.640 -3.589 -0.437 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.518 -6.229 1.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.527 -2.256 1.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.261 -4.440 3.458 1.00 0.00 H new ATOM 0 HH2 TRP A 38 6.746 -2.479 3.445 1.00 0.00 H new