USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=10 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 Set 1.1: A 10 SER OG : rot -167:sc= 0.719 USER MOD Set 1.2: A 13 SER OG : rot 169:sc= 1.11 USER MOD Set 1.3: A 29 TYR OH : rot 180:sc= 0.0251 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -116:sc= -0.807! (180deg=-1.48) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= -0.0233 (180deg=-0.142) USER MOD Single : A 21 TYR OH : rot 125:sc= 1.21 USER MOD Single : A 24 SER OG : rot -61:sc= 0.883 USER MOD Single : A 32 SER OG : rot -110:sc= 0.922 USER MOD Single : A 36 LYS NZ :NH3+ -127:sc= 0.41 (180deg=-0.447) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.313 -4.849 -0.342 1.00 0.00 N ATOM 2 CA LYS A 1 -12.688 -3.678 -0.998 1.00 0.00 C ATOM 3 C LYS A 1 -11.374 -3.346 -0.307 1.00 0.00 C ATOM 4 O LYS A 1 -11.364 -3.008 0.873 1.00 0.00 O ATOM 5 CB LYS A 1 -13.660 -2.497 -0.906 1.00 0.00 C ATOM 6 CG LYS A 1 -13.183 -1.246 -1.630 1.00 0.00 C ATOM 7 CD LYS A 1 -14.141 -0.080 -1.427 1.00 0.00 C ATOM 8 CE LYS A 1 -14.219 0.347 0.034 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.921 0.870 0.538 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.211 -5.074 -0.816 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.673 -5.666 -0.407 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.495 -4.630 0.658 1.00 0.00 H new ATOM 0 HA LYS A 1 -12.477 -3.895 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.623 -2.799 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.825 -2.256 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -12.192 -0.971 -1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.086 -1.456 -2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -13.818 0.765 -2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.134 -0.362 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -14.986 1.114 0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -14.527 -0.503 0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.565 0.247 1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.233 0.900 -0.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.057 1.829 0.917 1.00 0.00 H new ATOM 25 N CYS A 2 -10.280 -3.472 -1.041 1.00 0.00 N ATOM 26 CA CYS A 2 -8.954 -3.204 -0.510 1.00 0.00 C ATOM 27 C CYS A 2 -7.971 -2.999 -1.652 1.00 0.00 C ATOM 28 O CYS A 2 -8.258 -3.345 -2.801 1.00 0.00 O ATOM 29 CB CYS A 2 -8.506 -4.353 0.404 1.00 0.00 C ATOM 30 SG CYS A 2 -8.650 -6.012 -0.338 1.00 0.00 S ATOM 0 H CYS A 2 -10.286 -3.762 -2.019 1.00 0.00 H new ATOM 0 HA CYS A 2 -8.984 -2.292 0.086 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -7.468 -4.187 0.692 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.099 -4.325 1.318 1.00 0.00 H new ATOM 35 N LEU A 3 -6.829 -2.424 -1.330 1.00 0.00 N ATOM 36 CA LEU A 3 -5.791 -2.149 -2.302 1.00 0.00 C ATOM 37 C LEU A 3 -4.977 -3.401 -2.603 1.00 0.00 C ATOM 38 O LEU A 3 -4.489 -4.064 -1.690 1.00 0.00 O ATOM 39 CB LEU A 3 -4.883 -1.058 -1.753 1.00 0.00 C ATOM 40 CG LEU A 3 -5.585 0.261 -1.444 1.00 0.00 C ATOM 41 CD1 LEU A 3 -4.606 1.253 -0.850 1.00 0.00 C ATOM 42 CD2 LEU A 3 -6.230 0.833 -2.698 1.00 0.00 C ATOM 0 H LEU A 3 -6.594 -2.133 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.253 -1.820 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.409 -1.423 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.087 -0.870 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.371 0.070 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.122 2.189 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.191 0.847 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.800 1.438 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.725 1.773 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.464 1.010 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.964 0.126 -3.085 1.00 0.00 H new ATOM 54 N ALA A 4 -4.835 -3.721 -3.880 1.00 0.00 N ATOM 55 CA ALA A 4 -4.084 -4.900 -4.291 1.00 0.00 C ATOM 56 C ALA A 4 -2.576 -4.650 -4.265 1.00 0.00 C ATOM 57 O ALA A 4 -2.094 -3.707 -3.627 1.00 0.00 O ATOM 58 CB ALA A 4 -4.529 -5.340 -5.679 1.00 0.00 C ATOM 0 H ALA A 4 -5.229 -3.182 -4.651 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.292 -5.697 -3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.963 -6.222 -5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.592 -5.579 -5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.350 -4.534 -6.391 1.00 0.00 H new ATOM 64 N GLU A 5 -1.841 -5.509 -4.953 1.00 0.00 N ATOM 65 CA GLU A 5 -0.395 -5.421 -5.022 1.00 0.00 C ATOM 66 C GLU A 5 0.065 -4.151 -5.724 1.00 0.00 C ATOM 67 O GLU A 5 -0.371 -3.839 -6.832 1.00 0.00 O ATOM 68 CB GLU A 5 0.201 -6.653 -5.727 1.00 0.00 C ATOM 69 CG GLU A 5 -0.451 -7.013 -7.059 1.00 0.00 C ATOM 70 CD GLU A 5 -1.762 -7.768 -6.902 1.00 0.00 C ATOM 71 OE1 GLU A 5 -2.144 -8.071 -5.749 1.00 0.00 O ATOM 72 OE2 GLU A 5 -2.405 -8.056 -7.927 1.00 0.00 O ATOM 0 H GLU A 5 -2.234 -6.289 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.032 -5.390 -3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.264 -6.478 -5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.122 -7.510 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.631 -6.100 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.242 -7.619 -7.643 1.00 0.00 H new ATOM 79 N ALA A 6 0.955 -3.432 -5.048 1.00 0.00 N ATOM 80 CA ALA A 6 1.523 -2.185 -5.555 1.00 0.00 C ATOM 81 C ALA A 6 0.456 -1.115 -5.735 1.00 0.00 C ATOM 82 O ALA A 6 0.394 -0.460 -6.773 1.00 0.00 O ATOM 83 CB ALA A 6 2.277 -2.426 -6.858 1.00 0.00 C ATOM 0 H ALA A 6 1.305 -3.698 -4.128 1.00 0.00 H new ATOM 0 HA ALA A 6 2.230 -1.818 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.692 -1.484 -7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.086 -3.136 -6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.593 -2.830 -7.605 1.00 0.00 H new ATOM 89 N ALA A 7 -0.381 -0.937 -4.722 1.00 0.00 N ATOM 90 CA ALA A 7 -1.441 0.068 -4.799 1.00 0.00 C ATOM 91 C ALA A 7 -1.237 1.162 -3.758 1.00 0.00 C ATOM 92 O ALA A 7 -1.083 0.873 -2.577 1.00 0.00 O ATOM 93 CB ALA A 7 -2.802 -0.587 -4.626 1.00 0.00 C ATOM 0 H ALA A 7 -0.352 -1.464 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.398 0.532 -5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.582 0.173 -4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.953 -1.325 -5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.848 -1.079 -3.654 1.00 0.00 H new ATOM 99 N ASP A 8 -1.219 2.410 -4.212 1.00 0.00 N ATOM 100 CA ASP A 8 -1.010 3.565 -3.335 1.00 0.00 C ATOM 101 C ASP A 8 -2.001 3.590 -2.173 1.00 0.00 C ATOM 102 O ASP A 8 -3.214 3.504 -2.369 1.00 0.00 O ATOM 103 CB ASP A 8 -1.119 4.867 -4.134 1.00 0.00 C ATOM 104 CG ASP A 8 -0.104 4.950 -5.257 1.00 0.00 C ATOM 105 OD1 ASP A 8 -0.172 4.110 -6.182 1.00 0.00 O ATOM 106 OD2 ASP A 8 0.761 5.849 -5.216 1.00 0.00 O ATOM 0 H ASP A 8 -1.348 2.653 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.007 3.474 -2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.123 4.950 -4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.981 5.714 -3.462 1.00 0.00 H new ATOM 111 N CYS A 9 -1.465 3.721 -0.966 1.00 0.00 N ATOM 112 CA CYS A 9 -2.266 3.768 0.249 1.00 0.00 C ATOM 113 C CYS A 9 -2.012 5.052 1.021 1.00 0.00 C ATOM 114 O CYS A 9 -0.962 5.686 0.885 1.00 0.00 O ATOM 115 CB CYS A 9 -1.974 2.563 1.146 1.00 0.00 C ATOM 116 SG CYS A 9 -0.232 2.023 1.130 1.00 0.00 S ATOM 0 H CYS A 9 -0.461 3.798 -0.803 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.314 3.739 -0.051 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.257 2.809 2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.604 1.730 0.833 1.00 0.00 H new ATOM 121 N SER A 10 -2.985 5.428 1.828 1.00 0.00 N ATOM 122 CA SER A 10 -2.904 6.632 2.633 1.00 0.00 C ATOM 123 C SER A 10 -3.913 6.547 3.771 1.00 0.00 C ATOM 124 O SER A 10 -4.994 5.989 3.601 1.00 0.00 O ATOM 125 CB SER A 10 -3.166 7.865 1.760 1.00 0.00 C ATOM 126 OG SER A 10 -3.088 9.069 2.506 1.00 0.00 O ATOM 0 H SER A 10 -3.854 4.907 1.944 1.00 0.00 H new ATOM 0 HA SER A 10 -1.904 6.724 3.057 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.441 7.894 0.947 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.153 7.784 1.304 1.00 0.00 H new ATOM 0 HG SER A 10 -3.463 9.805 1.979 1.00 0.00 H new ATOM 132 N PRO A 11 -3.555 7.078 4.949 1.00 0.00 N ATOM 133 CA PRO A 11 -4.411 7.062 6.143 1.00 0.00 C ATOM 134 C PRO A 11 -5.805 7.636 5.883 1.00 0.00 C ATOM 135 O PRO A 11 -6.786 7.191 6.477 1.00 0.00 O ATOM 136 CB PRO A 11 -3.651 7.936 7.153 1.00 0.00 C ATOM 137 CG PRO A 11 -2.595 8.635 6.360 1.00 0.00 C ATOM 138 CD PRO A 11 -2.269 7.727 5.219 1.00 0.00 C ATOM 0 HA PRO A 11 -4.588 6.044 6.490 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.319 8.651 7.634 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.211 7.329 7.944 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.951 9.600 6.001 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.712 8.828 6.970 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.904 8.279 4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.498 7.004 5.484 1.00 0.00 H new ATOM 146 N TRP A 12 -5.887 8.619 4.995 1.00 0.00 N ATOM 147 CA TRP A 12 -7.166 9.234 4.664 1.00 0.00 C ATOM 148 C TRP A 12 -7.441 9.135 3.168 1.00 0.00 C ATOM 149 O TRP A 12 -8.523 8.730 2.750 1.00 0.00 O ATOM 150 CB TRP A 12 -7.197 10.704 5.100 1.00 0.00 C ATOM 151 CG TRP A 12 -7.003 10.901 6.573 1.00 0.00 C ATOM 152 CD1 TRP A 12 -7.944 10.747 7.550 1.00 0.00 C ATOM 153 CD2 TRP A 12 -5.800 11.314 7.236 1.00 0.00 C ATOM 154 NE1 TRP A 12 -7.397 11.020 8.780 1.00 0.00 N ATOM 155 CE2 TRP A 12 -6.084 11.373 8.614 1.00 0.00 C ATOM 156 CE3 TRP A 12 -4.512 11.633 6.799 1.00 0.00 C ATOM 157 CZ2 TRP A 12 -5.126 11.738 9.556 1.00 0.00 C ATOM 158 CZ3 TRP A 12 -3.562 11.995 7.736 1.00 0.00 C ATOM 159 CH2 TRP A 12 -3.873 12.045 9.100 1.00 0.00 C ATOM 0 H TRP A 12 -5.087 9.006 4.493 1.00 0.00 H new ATOM 0 HA TRP A 12 -7.943 8.693 5.204 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.420 11.249 4.564 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.152 11.140 4.807 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -8.969 10.453 7.380 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.889 10.968 9.672 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.263 11.597 5.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.363 11.777 10.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.563 12.243 7.410 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.108 12.332 9.807 1.00 0.00 H new ATOM 170 N SER A 13 -6.458 9.510 2.364 1.00 0.00 N ATOM 171 CA SER A 13 -6.595 9.468 0.915 1.00 0.00 C ATOM 172 C SER A 13 -6.181 8.107 0.348 1.00 0.00 C ATOM 173 O SER A 13 -5.426 8.033 -0.621 1.00 0.00 O ATOM 174 CB SER A 13 -5.764 10.595 0.292 1.00 0.00 C ATOM 175 OG SER A 13 -4.544 10.785 1.001 1.00 0.00 O ATOM 0 H SER A 13 -5.553 9.848 2.691 1.00 0.00 H new ATOM 0 HA SER A 13 -7.645 9.612 0.662 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.549 10.359 -0.750 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.339 11.521 0.297 1.00 0.00 H new ATOM 0 HG SER A 13 -3.960 11.384 0.492 1.00 0.00 H new ATOM 181 N GLY A 14 -6.671 7.035 0.958 1.00 0.00 N ATOM 182 CA GLY A 14 -6.329 5.704 0.497 1.00 0.00 C ATOM 183 C GLY A 14 -7.150 4.626 1.174 1.00 0.00 C ATOM 184 O GLY A 14 -7.543 4.773 2.331 1.00 0.00 O ATOM 0 H GLY A 14 -7.298 7.064 1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.479 5.647 -0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.271 5.520 0.682 1.00 0.00 H new ATOM 188 N ASP A 15 -7.409 3.546 0.451 1.00 0.00 N ATOM 189 CA ASP A 15 -8.185 2.429 0.980 1.00 0.00 C ATOM 190 C ASP A 15 -7.286 1.513 1.805 1.00 0.00 C ATOM 191 O ASP A 15 -6.070 1.708 1.859 1.00 0.00 O ATOM 192 CB ASP A 15 -8.819 1.630 -0.168 1.00 0.00 C ATOM 193 CG ASP A 15 -10.009 0.795 0.269 1.00 0.00 C ATOM 194 OD1 ASP A 15 -10.350 0.804 1.470 1.00 0.00 O ATOM 195 OD2 ASP A 15 -10.636 0.148 -0.594 1.00 0.00 O ATOM 0 H ASP A 15 -7.092 3.418 -0.510 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.976 2.826 1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.135 2.320 -0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.065 0.975 -0.606 1.00 0.00 H new ATOM 200 N SER A 16 -7.872 0.505 2.423 1.00 0.00 N ATOM 201 CA SER A 16 -7.107 -0.443 3.208 1.00 0.00 C ATOM 202 C SER A 16 -6.452 -1.452 2.279 1.00 0.00 C ATOM 203 O SER A 16 -7.057 -1.879 1.307 1.00 0.00 O ATOM 204 CB SER A 16 -8.006 -1.159 4.209 1.00 0.00 C ATOM 205 OG SER A 16 -8.907 -0.250 4.817 1.00 0.00 O ATOM 0 H SER A 16 -8.875 0.322 2.396 1.00 0.00 H new ATOM 0 HA SER A 16 -6.338 0.094 3.763 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.564 -1.948 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.396 -1.639 4.974 1.00 0.00 H new ATOM 0 HG SER A 16 -9.476 -0.730 5.454 1.00 0.00 H new ATOM 211 N CYS A 17 -5.221 -1.819 2.572 1.00 0.00 N ATOM 212 CA CYS A 17 -4.491 -2.775 1.744 1.00 0.00 C ATOM 213 C CYS A 17 -5.058 -4.181 1.913 1.00 0.00 C ATOM 214 O CYS A 17 -5.422 -4.581 3.020 1.00 0.00 O ATOM 215 CB CYS A 17 -3.008 -2.799 2.124 1.00 0.00 C ATOM 216 SG CYS A 17 -2.175 -1.182 2.049 1.00 0.00 S ATOM 0 H CYS A 17 -4.699 -1.473 3.377 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.600 -2.458 0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.913 -3.195 3.135 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.489 -3.491 1.461 1.00 0.00 H new ATOM 221 N CYS A 18 -5.101 -4.938 0.825 1.00 0.00 N ATOM 222 CA CYS A 18 -5.581 -6.309 0.869 1.00 0.00 C ATOM 223 C CYS A 18 -4.598 -7.154 1.652 1.00 0.00 C ATOM 224 O CYS A 18 -3.391 -6.940 1.581 1.00 0.00 O ATOM 225 CB CYS A 18 -5.739 -6.898 -0.540 1.00 0.00 C ATOM 226 SG CYS A 18 -7.035 -6.124 -1.562 1.00 0.00 S ATOM 0 H CYS A 18 -4.808 -4.623 -0.100 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.559 -6.311 1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.786 -6.811 -1.062 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.957 -7.962 -0.450 1.00 0.00 H new ATOM 231 N LYS A 19 -5.109 -8.104 2.399 1.00 0.00 N ATOM 232 CA LYS A 19 -4.256 -8.968 3.182 1.00 0.00 C ATOM 233 C LYS A 19 -3.660 -10.054 2.294 1.00 0.00 C ATOM 234 O LYS A 19 -4.308 -10.529 1.363 1.00 0.00 O ATOM 235 CB LYS A 19 -5.025 -9.591 4.353 1.00 0.00 C ATOM 236 CG LYS A 19 -6.088 -10.615 3.960 1.00 0.00 C ATOM 237 CD LYS A 19 -7.329 -9.966 3.364 1.00 0.00 C ATOM 238 CE LYS A 19 -8.325 -11.009 2.877 1.00 0.00 C ATOM 239 NZ LYS A 19 -8.775 -11.909 3.976 1.00 0.00 N ATOM 0 H LYS A 19 -6.107 -8.298 2.482 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.447 -8.367 3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.311 -10.071 5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.504 -8.792 4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.665 -11.314 3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.371 -11.195 4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.803 -9.330 4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.041 -9.321 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.190 -10.508 2.442 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.869 -11.604 2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.572 -12.490 3.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.990 -12.529 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.078 -11.338 4.790 1.00 0.00 H new ATOM 253 N PRO A 20 -2.408 -10.445 2.558 1.00 0.00 N ATOM 254 CA PRO A 20 -1.609 -9.912 3.644 1.00 0.00 C ATOM 255 C PRO A 20 -0.545 -8.900 3.189 1.00 0.00 C ATOM 256 O PRO A 20 0.574 -8.894 3.715 1.00 0.00 O ATOM 257 CB PRO A 20 -0.942 -11.189 4.148 1.00 0.00 C ATOM 258 CG PRO A 20 -0.749 -12.035 2.916 1.00 0.00 C ATOM 259 CD PRO A 20 -1.657 -11.474 1.838 1.00 0.00 C ATOM 0 HA PRO A 20 -2.198 -9.355 4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.010 -10.973 4.633 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.566 -11.697 4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.292 -12.012 2.593 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.995 -13.077 3.122 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.089 -11.055 1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.313 -12.239 1.422 1.00 0.00 H new ATOM 267 N TYR A 21 -0.887 -8.050 2.225 1.00 0.00 N ATOM 268 CA TYR A 21 0.047 -7.041 1.725 1.00 0.00 C ATOM 269 C TYR A 21 0.285 -5.979 2.790 1.00 0.00 C ATOM 270 O TYR A 21 -0.498 -5.844 3.730 1.00 0.00 O ATOM 271 CB TYR A 21 -0.464 -6.374 0.435 1.00 0.00 C ATOM 272 CG TYR A 21 -0.817 -7.336 -0.685 1.00 0.00 C ATOM 273 CD1 TYR A 21 -1.860 -8.249 -0.563 1.00 0.00 C ATOM 274 CD2 TYR A 21 -0.110 -7.318 -1.876 1.00 0.00 C ATOM 275 CE1 TYR A 21 -2.181 -9.112 -1.592 1.00 0.00 C ATOM 276 CE2 TYR A 21 -0.427 -8.176 -2.909 1.00 0.00 C ATOM 277 CZ TYR A 21 -1.461 -9.071 -2.763 1.00 0.00 C ATOM 278 OH TYR A 21 -1.776 -9.921 -3.794 1.00 0.00 O ATOM 0 H TYR A 21 -1.802 -8.038 1.774 1.00 0.00 H new ATOM 0 HA TYR A 21 0.983 -7.548 1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.346 -5.780 0.675 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.298 -5.683 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.429 -8.283 0.354 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.704 -6.619 -1.998 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.993 -9.815 -1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.136 -8.145 -3.830 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.947 -9.400 -4.607 1.00 0.00 H new ATOM 288 N LEU A 22 1.374 -5.243 2.654 1.00 0.00 N ATOM 289 CA LEU A 22 1.713 -4.214 3.623 1.00 0.00 C ATOM 290 C LEU A 22 1.909 -2.860 2.949 1.00 0.00 C ATOM 291 O LEU A 22 2.579 -2.757 1.921 1.00 0.00 O ATOM 292 CB LEU A 22 2.982 -4.622 4.377 1.00 0.00 C ATOM 293 CG LEU A 22 3.510 -3.598 5.386 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.517 -3.399 6.522 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.861 -4.035 5.929 1.00 0.00 C ATOM 0 H LEU A 22 2.037 -5.338 1.885 1.00 0.00 H new ATOM 0 HA LEU A 22 0.886 -4.115 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.786 -5.556 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.767 -4.825 3.648 1.00 0.00 H new ATOM 0 HG LEU A 22 3.635 -2.645 4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.912 -2.668 7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.570 -3.039 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.356 -4.347 7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.222 -3.296 6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.759 -5.000 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.572 -4.122 5.108 1.00 0.00 H new ATOM 307 N CYS A 23 1.330 -1.826 3.544 1.00 0.00 N ATOM 308 CA CYS A 23 1.450 -0.471 3.025 1.00 0.00 C ATOM 309 C CYS A 23 2.843 0.065 3.334 1.00 0.00 C ATOM 310 O CYS A 23 3.221 0.195 4.498 1.00 0.00 O ATOM 311 CB CYS A 23 0.373 0.425 3.649 1.00 0.00 C ATOM 312 SG CYS A 23 0.376 2.152 3.062 1.00 0.00 S ATOM 0 H CYS A 23 0.769 -1.901 4.392 1.00 0.00 H new ATOM 0 HA CYS A 23 1.305 -0.477 1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.605 -0.011 3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.503 0.424 4.731 1.00 0.00 H new ATOM 317 N SER A 24 3.614 0.349 2.297 1.00 0.00 N ATOM 318 CA SER A 24 4.968 0.843 2.485 1.00 0.00 C ATOM 319 C SER A 24 5.025 2.366 2.391 1.00 0.00 C ATOM 320 O SER A 24 4.581 2.959 1.408 1.00 0.00 O ATOM 321 CB SER A 24 5.923 0.203 1.469 1.00 0.00 C ATOM 322 OG SER A 24 5.511 0.448 0.133 1.00 0.00 O ATOM 0 H SER A 24 3.328 0.247 1.323 1.00 0.00 H new ATOM 0 HA SER A 24 5.288 0.560 3.488 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.929 0.596 1.617 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.972 -0.872 1.643 1.00 0.00 H new ATOM 0 HG SER A 24 4.625 0.055 -0.014 1.00 0.00 H new ATOM 328 N CYS A 25 5.591 2.981 3.418 1.00 0.00 N ATOM 329 CA CYS A 25 5.739 4.427 3.480 1.00 0.00 C ATOM 330 C CYS A 25 7.220 4.775 3.526 1.00 0.00 C ATOM 331 O CYS A 25 7.725 5.254 4.541 1.00 0.00 O ATOM 332 CB CYS A 25 5.029 4.996 4.713 1.00 0.00 C ATOM 333 SG CYS A 25 3.221 4.777 4.715 1.00 0.00 S ATOM 0 H CYS A 25 5.961 2.491 4.233 1.00 0.00 H new ATOM 0 HA CYS A 25 5.283 4.868 2.594 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.440 4.522 5.604 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.253 6.060 4.786 1.00 0.00 H new ATOM 338 N ILE A 26 7.920 4.492 2.434 1.00 0.00 N ATOM 339 CA ILE A 26 9.360 4.734 2.341 1.00 0.00 C ATOM 340 C ILE A 26 9.696 6.231 2.197 1.00 0.00 C ATOM 341 O ILE A 26 10.414 6.661 1.298 1.00 0.00 O ATOM 342 CB ILE A 26 9.978 3.907 1.195 1.00 0.00 C ATOM 343 CG1 ILE A 26 11.504 4.023 1.201 1.00 0.00 C ATOM 344 CG2 ILE A 26 9.400 4.309 -0.159 1.00 0.00 C ATOM 345 CD1 ILE A 26 12.157 3.417 2.425 1.00 0.00 C ATOM 0 H ILE A 26 7.511 4.090 1.590 1.00 0.00 H new ATOM 0 HA ILE A 26 9.804 4.406 3.281 1.00 0.00 H new ATOM 0 HB ILE A 26 9.718 2.862 1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.900 3.535 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 26 11.780 5.076 1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.858 3.706 -0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.322 4.145 -0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.606 5.363 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 26 13.238 3.537 2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.791 3.920 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 26 11.913 2.356 2.480 1.00 0.00 H new ATOM 357 N PHE A 27 9.170 6.998 3.131 1.00 0.00 N ATOM 358 CA PHE A 27 9.376 8.450 3.212 1.00 0.00 C ATOM 359 C PHE A 27 8.958 9.183 1.934 1.00 0.00 C ATOM 360 O PHE A 27 9.416 10.296 1.674 1.00 0.00 O ATOM 361 CB PHE A 27 10.841 8.774 3.542 1.00 0.00 C ATOM 362 CG PHE A 27 11.243 8.449 4.957 1.00 0.00 C ATOM 363 CD1 PHE A 27 11.101 7.166 5.466 1.00 0.00 C ATOM 364 CD2 PHE A 27 11.766 9.434 5.780 1.00 0.00 C ATOM 365 CE1 PHE A 27 11.472 6.873 6.764 1.00 0.00 C ATOM 366 CE2 PHE A 27 12.139 9.148 7.080 1.00 0.00 C ATOM 367 CZ PHE A 27 11.991 7.865 7.573 1.00 0.00 C ATOM 0 H PHE A 27 8.574 6.633 3.874 1.00 0.00 H new ATOM 0 HA PHE A 27 8.732 8.806 4.016 1.00 0.00 H new ATOM 0 HB2 PHE A 27 11.486 8.223 2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 27 11.016 9.835 3.361 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.695 6.386 4.839 1.00 0.00 H new ATOM 0 HD2 PHE A 27 11.884 10.438 5.401 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.356 5.869 7.146 1.00 0.00 H new ATOM 0 HE2 PHE A 27 12.545 9.926 7.710 1.00 0.00 H new ATOM 0 HZ PHE A 27 12.281 7.639 8.589 1.00 0.00 H new ATOM 377 N PHE A 28 8.076 8.578 1.154 1.00 0.00 N ATOM 378 CA PHE A 28 7.595 9.199 -0.073 1.00 0.00 C ATOM 379 C PHE A 28 6.081 9.193 -0.102 1.00 0.00 C ATOM 380 O PHE A 28 5.448 8.181 0.192 1.00 0.00 O ATOM 381 CB PHE A 28 8.118 8.482 -1.321 1.00 0.00 C ATOM 382 CG PHE A 28 9.518 8.863 -1.736 1.00 0.00 C ATOM 383 CD1 PHE A 28 10.586 8.735 -0.864 1.00 0.00 C ATOM 384 CD2 PHE A 28 9.758 9.352 -3.011 1.00 0.00 C ATOM 385 CE1 PHE A 28 11.864 9.086 -1.253 1.00 0.00 C ATOM 386 CE2 PHE A 28 11.034 9.704 -3.406 1.00 0.00 C ATOM 387 CZ PHE A 28 12.089 9.571 -2.525 1.00 0.00 C ATOM 0 H PHE A 28 7.678 7.659 1.347 1.00 0.00 H new ATOM 0 HA PHE A 28 7.969 10.223 -0.082 1.00 0.00 H new ATOM 0 HB2 PHE A 28 8.088 7.407 -1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.441 8.687 -2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.418 8.356 0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.937 9.459 -3.704 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.687 8.981 -0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 28 11.206 10.083 -4.403 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.088 9.846 -2.831 1.00 0.00 H new ATOM 397 N TYR A 29 5.516 10.327 -0.462 1.00 0.00 N ATOM 398 CA TYR A 29 4.073 10.472 -0.557 1.00 0.00 C ATOM 399 C TYR A 29 3.611 10.166 -1.982 1.00 0.00 C ATOM 400 O TYR A 29 4.138 10.737 -2.937 1.00 0.00 O ATOM 401 CB TYR A 29 3.643 11.888 -0.156 1.00 0.00 C ATOM 402 CG TYR A 29 2.140 12.068 -0.060 1.00 0.00 C ATOM 403 CD1 TYR A 29 1.387 11.324 0.841 1.00 0.00 C ATOM 404 CD2 TYR A 29 1.476 12.981 -0.870 1.00 0.00 C ATOM 405 CE1 TYR A 29 0.016 11.483 0.931 1.00 0.00 C ATOM 406 CE2 TYR A 29 0.106 13.146 -0.786 1.00 0.00 C ATOM 407 CZ TYR A 29 -0.620 12.396 0.115 1.00 0.00 C ATOM 408 OH TYR A 29 -1.986 12.558 0.202 1.00 0.00 O ATOM 0 H TYR A 29 6.038 11.171 -0.696 1.00 0.00 H new ATOM 0 HA TYR A 29 3.608 9.765 0.129 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.091 12.135 0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.039 12.597 -0.883 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.881 10.609 1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.040 13.572 -1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.554 10.896 1.636 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.394 13.860 -1.424 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.276 13.240 -0.440 1.00 0.00 H new ATOM 418 N PRO A 30 2.620 9.282 -2.147 1.00 0.00 N ATOM 419 CA PRO A 30 1.970 8.585 -1.055 1.00 0.00 C ATOM 420 C PRO A 30 2.584 7.213 -0.797 1.00 0.00 C ATOM 421 O PRO A 30 3.516 6.793 -1.485 1.00 0.00 O ATOM 422 CB PRO A 30 0.539 8.443 -1.574 1.00 0.00 C ATOM 423 CG PRO A 30 0.662 8.385 -3.070 1.00 0.00 C ATOM 424 CD PRO A 30 2.050 8.868 -3.435 1.00 0.00 C ATOM 0 HA PRO A 30 2.057 9.111 -0.105 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.067 7.542 -1.183 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.077 9.286 -1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.504 7.368 -3.428 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.097 9.010 -3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.640 8.078 -3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.013 9.697 -4.142 1.00 0.00 H new ATOM 432 N CYS A 31 2.037 6.507 0.175 1.00 0.00 N ATOM 433 CA CYS A 31 2.505 5.174 0.497 1.00 0.00 C ATOM 434 C CYS A 31 1.916 4.199 -0.513 1.00 0.00 C ATOM 435 O CYS A 31 1.064 4.582 -1.308 1.00 0.00 O ATOM 436 CB CYS A 31 2.079 4.789 1.913 1.00 0.00 C ATOM 437 SG CYS A 31 2.587 5.971 3.201 1.00 0.00 S ATOM 0 H CYS A 31 1.266 6.837 0.756 1.00 0.00 H new ATOM 0 HA CYS A 31 3.594 5.144 0.452 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.994 4.688 1.938 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.496 3.810 2.151 1.00 0.00 H new ATOM 442 N SER A 32 2.350 2.951 -0.497 1.00 0.00 N ATOM 443 CA SER A 32 1.819 1.977 -1.441 1.00 0.00 C ATOM 444 C SER A 32 1.908 0.554 -0.899 1.00 0.00 C ATOM 445 O SER A 32 2.962 0.119 -0.432 1.00 0.00 O ATOM 446 CB SER A 32 2.558 2.095 -2.774 1.00 0.00 C ATOM 447 OG SER A 32 3.955 2.260 -2.567 1.00 0.00 O ATOM 0 H SER A 32 3.055 2.590 0.145 1.00 0.00 H new ATOM 0 HA SER A 32 0.762 2.195 -1.594 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.378 1.203 -3.374 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.167 2.942 -3.337 1.00 0.00 H new ATOM 0 HG SER A 32 4.217 3.171 -2.815 1.00 0.00 H new ATOM 453 N CYS A 33 0.793 -0.164 -0.963 1.00 0.00 N ATOM 454 CA CYS A 33 0.733 -1.536 -0.494 1.00 0.00 C ATOM 455 C CYS A 33 1.568 -2.408 -1.407 1.00 0.00 C ATOM 456 O CYS A 33 1.391 -2.380 -2.630 1.00 0.00 O ATOM 457 CB CYS A 33 -0.706 -2.059 -0.482 1.00 0.00 C ATOM 458 SG CYS A 33 -1.950 -0.841 0.062 1.00 0.00 S ATOM 0 H CYS A 33 -0.087 0.189 -1.339 1.00 0.00 H new ATOM 0 HA CYS A 33 1.118 -1.567 0.525 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.964 -2.399 -1.485 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.757 -2.929 0.173 1.00 0.00 H new ATOM 463 N ARG A 34 2.470 -3.166 -0.814 1.00 0.00 N ATOM 464 CA ARG A 34 3.346 -4.054 -1.551 1.00 0.00 C ATOM 465 C ARG A 34 3.119 -5.482 -1.087 1.00 0.00 C ATOM 466 O ARG A 34 2.815 -5.710 0.088 1.00 0.00 O ATOM 467 CB ARG A 34 4.813 -3.661 -1.333 1.00 0.00 C ATOM 468 CG ARG A 34 5.121 -2.222 -1.710 1.00 0.00 C ATOM 469 CD ARG A 34 4.968 -1.987 -3.203 1.00 0.00 C ATOM 470 NE ARG A 34 4.928 -0.560 -3.531 1.00 0.00 N ATOM 471 CZ ARG A 34 4.922 -0.075 -4.774 1.00 0.00 C ATOM 472 NH1 ARG A 34 5.042 -0.895 -5.814 1.00 0.00 N ATOM 473 NH2 ARG A 34 4.806 1.232 -4.972 1.00 0.00 N ATOM 0 H ARG A 34 2.616 -3.183 0.195 1.00 0.00 H new ATOM 0 HA ARG A 34 3.121 -3.975 -2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.070 -3.816 -0.285 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.449 -4.325 -1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.454 -1.553 -1.166 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.138 -1.976 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 34 5.797 -2.458 -3.731 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.054 -2.466 -3.554 1.00 0.00 H new ATOM 0 HE ARG A 34 4.903 0.106 -2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.139 -1.899 -5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.037 -0.520 -6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.722 1.863 -4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.801 1.606 -5.921 1.00 0.00 H new ATOM 487 N PRO A 35 3.264 -6.461 -1.992 1.00 0.00 N ATOM 488 CA PRO A 35 3.083 -7.871 -1.653 1.00 0.00 C ATOM 489 C PRO A 35 4.038 -8.284 -0.543 1.00 0.00 C ATOM 490 O PRO A 35 5.109 -7.698 -0.394 1.00 0.00 O ATOM 491 CB PRO A 35 3.406 -8.615 -2.951 1.00 0.00 C ATOM 492 CG PRO A 35 3.285 -7.595 -4.032 1.00 0.00 C ATOM 493 CD PRO A 35 3.624 -6.272 -3.405 1.00 0.00 C ATOM 0 HA PRO A 35 2.079 -8.087 -1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.410 -9.039 -2.922 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.715 -9.442 -3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.963 -7.820 -4.856 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.276 -7.583 -4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.681 -6.031 -3.521 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.060 -5.457 -3.858 1.00 0.00 H new ATOM 501 N LYS A 36 3.659 -9.276 0.243 1.00 0.00 N ATOM 502 CA LYS A 36 4.515 -9.708 1.328 1.00 0.00 C ATOM 503 C LYS A 36 5.648 -10.562 0.781 1.00 0.00 C ATOM 504 O LYS A 36 5.415 -11.567 0.113 1.00 0.00 O ATOM 505 CB LYS A 36 3.721 -10.489 2.378 1.00 0.00 C ATOM 506 CG LYS A 36 4.516 -10.749 3.652 1.00 0.00 C ATOM 507 CD LYS A 36 3.750 -11.604 4.652 1.00 0.00 C ATOM 508 CE LYS A 36 2.422 -10.974 5.045 1.00 0.00 C ATOM 509 NZ LYS A 36 2.577 -9.570 5.519 1.00 0.00 N ATOM 0 H LYS A 36 2.781 -9.788 0.152 1.00 0.00 H new ATOM 0 HA LYS A 36 4.932 -8.824 1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.816 -9.935 2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.405 -11.441 1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.453 -11.245 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.775 -9.797 4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.570 -12.590 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.359 -11.751 5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.747 -10.993 4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.958 -11.571 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.125 -9.466 6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.588 -9.340 5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.126 -8.923 4.841 1.00 0.00 H new ATOM 523 N GLY A 37 6.869 -10.133 1.052 1.00 0.00 N ATOM 524 CA GLY A 37 8.039 -10.832 0.568 1.00 0.00 C ATOM 525 C GLY A 37 9.109 -9.856 0.141 1.00 0.00 C ATOM 526 O GLY A 37 10.302 -10.138 0.250 1.00 0.00 O ATOM 0 H GLY A 37 7.072 -9.301 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.427 -11.485 1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.765 -11.469 -0.273 1.00 0.00 H new ATOM 530 N TRP A 38 8.666 -8.697 -0.328 1.00 0.00 N ATOM 531 CA TRP A 38 9.567 -7.640 -0.756 1.00 0.00 C ATOM 532 C TRP A 38 9.935 -6.768 0.438 1.00 0.00 C ATOM 533 O TRP A 38 10.904 -5.988 0.329 1.00 0.00 O ATOM 534 CB TRP A 38 8.921 -6.780 -1.852 1.00 0.00 C ATOM 535 CG TRP A 38 8.831 -7.455 -3.192 1.00 0.00 C ATOM 536 CD1 TRP A 38 9.539 -7.127 -4.312 1.00 0.00 C ATOM 537 CD2 TRP A 38 7.977 -8.547 -3.565 1.00 0.00 C ATOM 538 NE1 TRP A 38 9.192 -7.956 -5.352 1.00 0.00 N ATOM 539 CE2 TRP A 38 8.234 -8.834 -4.918 1.00 0.00 C ATOM 540 CE3 TRP A 38 7.026 -9.314 -2.885 1.00 0.00 C ATOM 541 CZ2 TRP A 38 7.576 -9.854 -5.603 1.00 0.00 C ATOM 542 CZ3 TRP A 38 6.373 -10.323 -3.567 1.00 0.00 C ATOM 543 CH2 TRP A 38 6.652 -10.586 -4.913 1.00 0.00 C ATOM 544 OXT TRP A 38 9.236 -6.867 1.473 1.00 0.00 O ATOM 0 H TRP A 38 7.677 -8.466 -0.421 1.00 0.00 H new ATOM 0 HA TRP A 38 10.468 -8.097 -1.167 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.918 -6.497 -1.532 1.00 0.00 H new ATOM 0 HB3 TRP A 38 9.493 -5.859 -1.960 1.00 0.00 H new ATOM 0 HD1 TRP A 38 10.267 -6.331 -4.372 1.00 0.00 H new ATOM 0 HE1 TRP A 38 9.584 -7.923 -6.293 1.00 0.00 H new ATOM 0 HE3 TRP A 38 6.806 -9.121 -1.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.789 -10.058 -6.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.634 -10.919 -3.052 1.00 0.00 H new ATOM 0 HH2 TRP A 38 6.126 -11.384 -5.416 1.00 0.00 H new TER 555 TRP A 38