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 Single : A 1 LYS N :NH3+ -138:sc=-0.000338 (180deg=-0.157) USER MOD Single : A 1 LYS NZ :NH3+ -133:sc= 1.23 (180deg=-1.88!) USER MOD Single : A 10 SER OG : rot -120:sc= -0.101 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+ 172:sc= -0.0117 (180deg=-0.14) USER MOD Single : A 21 TYR OH : rot -41:sc= 1.24 USER MOD Single : A 24 SER OG : rot 145:sc= -0.253 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -66:sc= 2.51 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.996 -3.271 -0.932 1.00 0.00 N ATOM 2 CA LYS A 1 -13.978 -2.686 -1.835 1.00 0.00 C ATOM 3 C LYS A 1 -12.622 -2.700 -1.152 1.00 0.00 C ATOM 4 O LYS A 1 -12.549 -2.558 0.067 1.00 0.00 O ATOM 5 CB LYS A 1 -14.377 -1.244 -2.179 1.00 0.00 C ATOM 6 CG LYS A 1 -15.752 -1.114 -2.816 1.00 0.00 C ATOM 7 CD LYS A 1 -16.031 0.302 -3.317 1.00 0.00 C ATOM 8 CE LYS A 1 -16.050 1.331 -2.191 1.00 0.00 C ATOM 9 NZ LYS A 1 -14.743 2.024 -2.032 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.627 -3.893 -1.477 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.524 -3.823 -0.188 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.553 -2.508 -0.497 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.919 -3.273 -2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.352 -0.645 -1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.633 -0.825 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.831 -1.813 -3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -16.514 -1.396 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -15.271 0.581 -4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -16.990 0.318 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -16.827 2.069 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -16.312 0.837 -1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -14.479 2.041 -1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -14.013 1.517 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -14.822 2.999 -2.386 1.00 0.00 H new ATOM 25 N CYS A 2 -11.565 -2.874 -1.927 1.00 0.00 N ATOM 26 CA CYS A 2 -10.218 -2.900 -1.385 1.00 0.00 C ATOM 27 C CYS A 2 -9.208 -2.623 -2.482 1.00 0.00 C ATOM 28 O CYS A 2 -9.479 -2.842 -3.665 1.00 0.00 O ATOM 29 CB CYS A 2 -9.911 -4.233 -0.687 1.00 0.00 C ATOM 30 SG CYS A 2 -10.057 -5.716 -1.737 1.00 0.00 S ATOM 0 H CYS A 2 -11.615 -3.000 -2.938 1.00 0.00 H new ATOM 0 HA CYS A 2 -10.146 -2.116 -0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -8.898 -4.190 -0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -10.585 -4.342 0.163 1.00 0.00 H new ATOM 35 N LEU A 3 -8.061 -2.116 -2.080 1.00 0.00 N ATOM 36 CA LEU A 3 -6.995 -1.774 -3.004 1.00 0.00 C ATOM 37 C LEU A 3 -6.209 -3.012 -3.416 1.00 0.00 C ATOM 38 O LEU A 3 -5.820 -3.815 -2.574 1.00 0.00 O ATOM 39 CB LEU A 3 -6.068 -0.760 -2.344 1.00 0.00 C ATOM 40 CG LEU A 3 -6.752 0.526 -1.885 1.00 0.00 C ATOM 41 CD1 LEU A 3 -5.758 1.441 -1.198 1.00 0.00 C ATOM 42 CD2 LEU A 3 -7.405 1.237 -3.063 1.00 0.00 C ATOM 0 H LEU A 3 -7.839 -1.928 -1.102 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.434 -1.343 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.592 -1.230 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.275 -0.503 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.530 0.262 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.263 2.352 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.338 0.935 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.957 1.695 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.887 2.151 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.645 1.487 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.151 0.583 -3.515 1.00 0.00 H new ATOM 54 N ALA A 4 -5.968 -3.164 -4.709 1.00 0.00 N ATOM 55 CA ALA A 4 -5.228 -4.313 -5.208 1.00 0.00 C ATOM 56 C ALA A 4 -3.732 -4.130 -4.980 1.00 0.00 C ATOM 57 O ALA A 4 -3.299 -3.118 -4.423 1.00 0.00 O ATOM 58 CB ALA A 4 -5.520 -4.525 -6.687 1.00 0.00 C ATOM 0 H ALA A 4 -6.273 -2.509 -5.429 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.550 -5.197 -4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.960 -5.388 -7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.587 -4.701 -6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.222 -3.639 -7.247 1.00 0.00 H new ATOM 64 N GLU A 5 -2.944 -5.109 -5.401 1.00 0.00 N ATOM 65 CA GLU A 5 -1.510 -5.036 -5.234 1.00 0.00 C ATOM 66 C GLU A 5 -0.912 -3.992 -6.159 1.00 0.00 C ATOM 67 O GLU A 5 -1.363 -3.806 -7.291 1.00 0.00 O ATOM 68 CB GLU A 5 -0.855 -6.400 -5.446 1.00 0.00 C ATOM 69 CG GLU A 5 -1.273 -7.106 -6.720 1.00 0.00 C ATOM 70 CD GLU A 5 -0.661 -8.483 -6.819 1.00 0.00 C ATOM 71 OE1 GLU A 5 0.583 -8.578 -6.856 1.00 0.00 O ATOM 72 OE2 GLU A 5 -1.424 -9.471 -6.827 1.00 0.00 O ATOM 0 H GLU A 5 -3.277 -5.958 -5.858 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.309 -4.732 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.227 -6.272 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.093 -7.040 -4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.360 -7.187 -6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.972 -6.511 -7.582 1.00 0.00 H new ATOM 79 N ALA A 6 0.072 -3.294 -5.624 1.00 0.00 N ATOM 80 CA ALA A 6 0.764 -2.214 -6.308 1.00 0.00 C ATOM 81 C ALA A 6 -0.176 -1.047 -6.539 1.00 0.00 C ATOM 82 O ALA A 6 -0.219 -0.471 -7.625 1.00 0.00 O ATOM 83 CB ALA A 6 1.388 -2.694 -7.614 1.00 0.00 C ATOM 0 H ALA A 6 0.421 -3.465 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 6 1.579 -1.872 -5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.898 -1.863 -8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.106 -3.487 -7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.607 -3.076 -8.272 1.00 0.00 H new ATOM 89 N ALA A 7 -0.926 -0.698 -5.502 1.00 0.00 N ATOM 90 CA ALA A 7 -1.868 0.414 -5.605 1.00 0.00 C ATOM 91 C ALA A 7 -1.728 1.355 -4.419 1.00 0.00 C ATOM 92 O ALA A 7 -1.828 0.927 -3.272 1.00 0.00 O ATOM 93 CB ALA A 7 -3.295 -0.108 -5.701 1.00 0.00 C ATOM 0 H ALA A 7 -0.904 -1.159 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.637 0.973 -6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.985 0.732 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.393 -0.739 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.530 -0.691 -4.810 1.00 0.00 H new ATOM 99 N ASP A 8 -1.488 2.630 -4.706 1.00 0.00 N ATOM 100 CA ASP A 8 -1.320 3.643 -3.665 1.00 0.00 C ATOM 101 C ASP A 8 -2.543 3.693 -2.754 1.00 0.00 C ATOM 102 O ASP A 8 -3.680 3.729 -3.228 1.00 0.00 O ATOM 103 CB ASP A 8 -1.054 5.022 -4.281 1.00 0.00 C ATOM 104 CG ASP A 8 0.310 5.116 -4.954 1.00 0.00 C ATOM 105 OD1 ASP A 8 0.997 4.076 -5.075 1.00 0.00 O ATOM 106 OD2 ASP A 8 0.690 6.227 -5.374 1.00 0.00 O ATOM 0 H ASP A 8 -1.405 2.990 -5.657 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.455 3.364 -3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.831 5.244 -5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.123 5.782 -3.503 1.00 0.00 H new ATOM 111 N CYS A 9 -2.308 3.669 -1.446 1.00 0.00 N ATOM 112 CA CYS A 9 -3.401 3.687 -0.487 1.00 0.00 C ATOM 113 C CYS A 9 -3.773 5.100 -0.072 1.00 0.00 C ATOM 114 O CYS A 9 -3.070 6.067 -0.369 1.00 0.00 O ATOM 115 CB CYS A 9 -3.080 2.851 0.756 1.00 0.00 C ATOM 116 SG CYS A 9 -1.685 3.457 1.765 1.00 0.00 S ATOM 0 H CYS A 9 -1.377 3.637 -1.030 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.257 3.242 -0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.970 2.808 1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.863 1.830 0.441 1.00 0.00 H new ATOM 121 N SER A 10 -4.889 5.197 0.625 1.00 0.00 N ATOM 122 CA SER A 10 -5.385 6.471 1.110 1.00 0.00 C ATOM 123 C SER A 10 -4.670 6.860 2.403 1.00 0.00 C ATOM 124 O SER A 10 -4.640 6.086 3.356 1.00 0.00 O ATOM 125 CB SER A 10 -6.890 6.378 1.331 1.00 0.00 C ATOM 126 OG SER A 10 -7.530 5.835 0.187 1.00 0.00 O ATOM 0 H SER A 10 -5.475 4.399 0.870 1.00 0.00 H new ATOM 0 HA SER A 10 -5.184 7.244 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.097 5.755 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.294 7.368 1.545 1.00 0.00 H new ATOM 0 HG SER A 10 -8.177 6.482 -0.164 1.00 0.00 H new ATOM 132 N PRO A 11 -4.065 8.057 2.436 1.00 0.00 N ATOM 133 CA PRO A 11 -3.321 8.542 3.606 1.00 0.00 C ATOM 134 C PRO A 11 -4.208 8.826 4.821 1.00 0.00 C ATOM 135 O PRO A 11 -3.929 8.355 5.920 1.00 0.00 O ATOM 136 CB PRO A 11 -2.673 9.837 3.104 1.00 0.00 C ATOM 137 CG PRO A 11 -3.528 10.275 1.966 1.00 0.00 C ATOM 138 CD PRO A 11 -4.032 9.018 1.321 1.00 0.00 C ATOM 0 HA PRO A 11 -2.612 7.793 3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.641 10.593 3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.645 9.666 2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.355 10.894 2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.957 10.876 1.258 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.020 9.159 0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.372 8.684 0.521 1.00 0.00 H new ATOM 146 N TRP A 12 -5.261 9.613 4.626 1.00 0.00 N ATOM 147 CA TRP A 12 -6.157 9.960 5.724 1.00 0.00 C ATOM 148 C TRP A 12 -7.177 8.858 5.976 1.00 0.00 C ATOM 149 O TRP A 12 -7.336 8.395 7.105 1.00 0.00 O ATOM 150 CB TRP A 12 -6.880 11.278 5.441 1.00 0.00 C ATOM 151 CG TRP A 12 -5.955 12.442 5.246 1.00 0.00 C ATOM 152 CD1 TRP A 12 -5.321 13.154 6.221 1.00 0.00 C ATOM 153 CD2 TRP A 12 -5.581 13.042 4.000 1.00 0.00 C ATOM 154 NE1 TRP A 12 -4.562 14.151 5.659 1.00 0.00 N ATOM 155 CE2 TRP A 12 -4.706 14.105 4.298 1.00 0.00 C ATOM 156 CE3 TRP A 12 -5.894 12.783 2.663 1.00 0.00 C ATOM 157 CZ2 TRP A 12 -4.144 14.906 3.307 1.00 0.00 C ATOM 158 CZ3 TRP A 12 -5.336 13.579 1.681 1.00 0.00 C ATOM 159 CH2 TRP A 12 -4.469 14.630 2.007 1.00 0.00 C ATOM 0 H TRP A 12 -5.514 10.020 3.726 1.00 0.00 H new ATOM 0 HA TRP A 12 -5.545 10.076 6.618 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -7.495 11.161 4.549 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -7.556 11.497 6.268 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.404 12.962 7.281 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.985 14.817 6.172 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -6.561 11.974 2.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.475 15.717 3.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -5.572 13.388 0.645 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.049 15.234 1.217 1.00 0.00 H new ATOM 170 N SER A 13 -7.872 8.450 4.922 1.00 0.00 N ATOM 171 CA SER A 13 -8.886 7.412 5.031 1.00 0.00 C ATOM 172 C SER A 13 -9.415 7.049 3.649 1.00 0.00 C ATOM 173 O SER A 13 -9.468 7.896 2.755 1.00 0.00 O ATOM 174 CB SER A 13 -10.039 7.881 5.928 1.00 0.00 C ATOM 175 OG SER A 13 -10.885 6.803 6.288 1.00 0.00 O ATOM 0 H SER A 13 -7.751 8.824 3.981 1.00 0.00 H new ATOM 0 HA SER A 13 -8.432 6.529 5.480 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.636 8.346 6.828 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.619 8.643 5.408 1.00 0.00 H new ATOM 0 HG SER A 13 -11.609 7.132 6.861 1.00 0.00 H new ATOM 181 N GLY A 14 -9.793 5.791 3.485 1.00 0.00 N ATOM 182 CA GLY A 14 -10.314 5.317 2.221 1.00 0.00 C ATOM 183 C GLY A 14 -10.427 3.810 2.209 1.00 0.00 C ATOM 184 O GLY A 14 -10.586 3.194 3.265 1.00 0.00 O ATOM 0 H GLY A 14 -9.747 5.081 4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.293 5.760 2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.662 5.642 1.411 1.00 0.00 H new ATOM 188 N ASP A 15 -10.323 3.212 1.030 1.00 0.00 N ATOM 189 CA ASP A 15 -10.400 1.760 0.913 1.00 0.00 C ATOM 190 C ASP A 15 -9.141 1.117 1.459 1.00 0.00 C ATOM 191 O ASP A 15 -8.032 1.621 1.276 1.00 0.00 O ATOM 192 CB ASP A 15 -10.602 1.310 -0.535 1.00 0.00 C ATOM 193 CG ASP A 15 -12.051 1.361 -0.987 1.00 0.00 C ATOM 194 OD1 ASP A 15 -12.938 1.688 -0.168 1.00 0.00 O ATOM 195 OD2 ASP A 15 -12.321 1.057 -2.171 1.00 0.00 O ATOM 0 H ASP A 15 -10.186 3.704 0.147 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.265 1.441 1.495 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.002 1.941 -1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.230 0.291 -0.646 1.00 0.00 H new ATOM 200 N SER A 16 -9.324 -0.002 2.118 1.00 0.00 N ATOM 201 CA SER A 16 -8.219 -0.745 2.688 1.00 0.00 C ATOM 202 C SER A 16 -7.624 -1.673 1.638 1.00 0.00 C ATOM 203 O SER A 16 -8.306 -2.064 0.696 1.00 0.00 O ATOM 204 CB SER A 16 -8.697 -1.545 3.895 1.00 0.00 C ATOM 205 OG SER A 16 -9.359 -0.702 4.823 1.00 0.00 O ATOM 0 H SER A 16 -10.239 -0.425 2.276 1.00 0.00 H new ATOM 0 HA SER A 16 -7.449 -0.047 3.016 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.372 -2.337 3.569 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.847 -2.029 4.377 1.00 0.00 H new ATOM 0 HG SER A 16 -9.660 -1.233 5.590 1.00 0.00 H new ATOM 211 N CYS A 17 -6.359 -2.017 1.792 1.00 0.00 N ATOM 212 CA CYS A 17 -5.694 -2.903 0.846 1.00 0.00 C ATOM 213 C CYS A 17 -6.285 -4.309 0.937 1.00 0.00 C ATOM 214 O CYS A 17 -6.554 -4.801 2.035 1.00 0.00 O ATOM 215 CB CYS A 17 -4.195 -2.967 1.138 1.00 0.00 C ATOM 216 SG CYS A 17 -3.383 -1.342 1.299 1.00 0.00 S ATOM 0 H CYS A 17 -5.769 -1.699 2.561 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.847 -2.508 -0.158 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.041 -3.528 2.060 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.706 -3.525 0.340 1.00 0.00 H new ATOM 221 N CYS A 18 -6.470 -4.949 -0.209 1.00 0.00 N ATOM 222 CA CYS A 18 -7.005 -6.303 -0.258 1.00 0.00 C ATOM 223 C CYS A 18 -6.071 -7.247 0.470 1.00 0.00 C ATOM 224 O CYS A 18 -4.856 -7.054 0.479 1.00 0.00 O ATOM 225 CB CYS A 18 -7.178 -6.783 -1.705 1.00 0.00 C ATOM 226 SG CYS A 18 -8.290 -5.768 -2.740 1.00 0.00 S ATOM 0 H CYS A 18 -6.256 -4.550 -1.123 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.983 -6.296 0.223 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.197 -6.815 -2.179 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.557 -7.805 -1.688 1.00 0.00 H new ATOM 231 N LYS A 19 -6.637 -8.263 1.081 1.00 0.00 N ATOM 232 CA LYS A 19 -5.847 -9.228 1.808 1.00 0.00 C ATOM 233 C LYS A 19 -5.199 -10.212 0.840 1.00 0.00 C ATOM 234 O LYS A 19 -5.778 -10.557 -0.188 1.00 0.00 O ATOM 235 CB LYS A 19 -6.702 -9.974 2.842 1.00 0.00 C ATOM 236 CG LYS A 19 -7.712 -10.958 2.255 1.00 0.00 C ATOM 237 CD LYS A 19 -8.898 -10.259 1.608 1.00 0.00 C ATOM 238 CE LYS A 19 -9.822 -11.250 0.916 1.00 0.00 C ATOM 239 NZ LYS A 19 -10.357 -12.272 1.859 1.00 0.00 N ATOM 0 H LYS A 19 -7.641 -8.442 1.089 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.063 -8.694 2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.039 -10.516 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.239 -9.241 3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.215 -11.585 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.070 -11.620 3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.455 -9.709 2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.539 -9.528 0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.651 -10.712 0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.281 -11.748 0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.083 -12.841 1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.584 -12.892 2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.778 -11.797 2.683 1.00 0.00 H new ATOM 253 N PRO A 20 -3.976 -10.653 1.154 1.00 0.00 N ATOM 254 CA PRO A 20 -3.271 -10.263 2.360 1.00 0.00 C ATOM 255 C PRO A 20 -2.196 -9.194 2.122 1.00 0.00 C ATOM 256 O PRO A 20 -1.156 -9.213 2.775 1.00 0.00 O ATOM 257 CB PRO A 20 -2.619 -11.586 2.749 1.00 0.00 C ATOM 258 CG PRO A 20 -2.323 -12.272 1.441 1.00 0.00 C ATOM 259 CD PRO A 20 -3.174 -11.602 0.379 1.00 0.00 C ATOM 0 HA PRO A 20 -3.926 -9.814 3.107 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.708 -11.423 3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.284 -12.187 3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.265 -12.189 1.194 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.553 -13.336 1.504 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.563 -11.098 -0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.799 -12.321 -0.151 1.00 0.00 H new ATOM 267 N TYR A 21 -2.438 -8.270 1.196 1.00 0.00 N ATOM 268 CA TYR A 21 -1.466 -7.216 0.900 1.00 0.00 C ATOM 269 C TYR A 21 -1.421 -6.172 2.015 1.00 0.00 C ATOM 270 O TYR A 21 -2.190 -6.235 2.980 1.00 0.00 O ATOM 271 CB TYR A 21 -1.772 -6.553 -0.454 1.00 0.00 C ATOM 272 CG TYR A 21 -1.977 -7.554 -1.572 1.00 0.00 C ATOM 273 CD1 TYR A 21 -0.894 -8.163 -2.192 1.00 0.00 C ATOM 274 CD2 TYR A 21 -3.254 -7.908 -1.989 1.00 0.00 C ATOM 275 CE1 TYR A 21 -1.076 -9.092 -3.199 1.00 0.00 C ATOM 276 CE2 TYR A 21 -3.445 -8.839 -2.993 1.00 0.00 C ATOM 277 CZ TYR A 21 -2.353 -9.427 -3.595 1.00 0.00 C ATOM 278 OH TYR A 21 -2.542 -10.356 -4.590 1.00 0.00 O ATOM 0 H TYR A 21 -3.292 -8.227 0.640 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.482 -7.681 0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.666 -5.938 -0.357 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.952 -5.885 -0.718 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.108 -7.906 -1.882 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.112 -7.448 -1.521 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.222 -9.553 -3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.445 -9.104 -3.304 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.888 -10.208 -5.304 1.00 0.00 H new ATOM 288 N LEU A 22 -0.497 -5.231 1.890 1.00 0.00 N ATOM 289 CA LEU A 22 -0.317 -4.184 2.886 1.00 0.00 C ATOM 290 C LEU A 22 0.267 -2.937 2.236 1.00 0.00 C ATOM 291 O LEU A 22 1.106 -3.042 1.341 1.00 0.00 O ATOM 292 CB LEU A 22 0.619 -4.683 3.990 1.00 0.00 C ATOM 293 CG LEU A 22 0.872 -3.702 5.134 1.00 0.00 C ATOM 294 CD1 LEU A 22 -0.400 -3.483 5.937 1.00 0.00 C ATOM 295 CD2 LEU A 22 1.991 -4.212 6.029 1.00 0.00 C ATOM 0 H LEU A 22 0.146 -5.171 1.100 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.285 -3.933 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.203 -5.600 4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.577 -4.943 3.540 1.00 0.00 H new ATOM 0 HG LEU A 22 1.178 -2.745 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.202 -2.782 6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.175 -3.077 5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.736 -4.433 6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.160 -3.503 6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.711 -5.180 6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.904 -4.319 5.444 1.00 0.00 H new ATOM 307 N CYS A 23 -0.173 -1.762 2.671 1.00 0.00 N ATOM 308 CA CYS A 23 0.334 -0.522 2.106 1.00 0.00 C ATOM 309 C CYS A 23 1.727 -0.224 2.634 1.00 0.00 C ATOM 310 O CYS A 23 1.914 0.078 3.812 1.00 0.00 O ATOM 311 CB CYS A 23 -0.599 0.658 2.386 1.00 0.00 C ATOM 312 SG CYS A 23 -0.185 2.139 1.404 1.00 0.00 S ATOM 0 H CYS A 23 -0.872 -1.644 3.405 1.00 0.00 H new ATOM 0 HA CYS A 23 0.383 -0.657 1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.626 0.362 2.172 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.554 0.907 3.446 1.00 0.00 H new ATOM 317 N SER A 24 2.693 -0.303 1.744 1.00 0.00 N ATOM 318 CA SER A 24 4.073 -0.035 2.077 1.00 0.00 C ATOM 319 C SER A 24 4.437 1.359 1.594 1.00 0.00 C ATOM 320 O SER A 24 4.054 1.750 0.494 1.00 0.00 O ATOM 321 CB SER A 24 4.976 -1.082 1.428 1.00 0.00 C ATOM 322 OG SER A 24 4.791 -1.107 0.023 1.00 0.00 O ATOM 0 H SER A 24 2.542 -0.556 0.767 1.00 0.00 H new ATOM 0 HA SER A 24 4.211 -0.086 3.157 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.019 -0.862 1.658 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.758 -2.065 1.845 1.00 0.00 H new ATOM 0 HG SER A 24 5.646 -1.298 -0.416 1.00 0.00 H new ATOM 328 N CYS A 25 5.156 2.109 2.408 1.00 0.00 N ATOM 329 CA CYS A 25 5.542 3.459 2.036 1.00 0.00 C ATOM 330 C CYS A 25 7.036 3.648 2.250 1.00 0.00 C ATOM 331 O CYS A 25 7.467 4.333 3.176 1.00 0.00 O ATOM 332 CB CYS A 25 4.742 4.483 2.843 1.00 0.00 C ATOM 333 SG CYS A 25 4.472 6.062 1.973 1.00 0.00 S ATOM 0 H CYS A 25 5.484 1.809 3.326 1.00 0.00 H new ATOM 0 HA CYS A 25 5.321 3.614 0.980 1.00 0.00 H new ATOM 0 HB2 CYS A 25 3.775 4.052 3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.263 4.680 3.780 1.00 0.00 H new ATOM 338 N ILE A 26 7.821 3.018 1.389 1.00 0.00 N ATOM 339 CA ILE A 26 9.270 3.101 1.466 1.00 0.00 C ATOM 340 C ILE A 26 9.795 4.269 0.632 1.00 0.00 C ATOM 341 O ILE A 26 9.036 5.136 0.210 1.00 0.00 O ATOM 342 CB ILE A 26 9.960 1.779 1.032 1.00 0.00 C ATOM 343 CG1 ILE A 26 9.473 1.304 -0.350 1.00 0.00 C ATOM 344 CG2 ILE A 26 9.732 0.698 2.083 1.00 0.00 C ATOM 345 CD1 ILE A 26 8.172 0.522 -0.330 1.00 0.00 C ATOM 0 H ILE A 26 7.474 2.440 0.624 1.00 0.00 H new ATOM 0 HA ILE A 26 9.519 3.273 2.513 1.00 0.00 H new ATOM 0 HB ILE A 26 11.029 1.974 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.348 2.174 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 26 10.248 0.683 -0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.220 -0.224 1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.150 1.023 3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.662 0.522 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.908 0.229 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.293 -0.370 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.380 1.144 0.086 1.00 0.00 H new ATOM 357 N PHE A 27 11.100 4.297 0.426 1.00 0.00 N ATOM 358 CA PHE A 27 11.739 5.370 -0.329 1.00 0.00 C ATOM 359 C PHE A 27 11.518 5.229 -1.835 1.00 0.00 C ATOM 360 O PHE A 27 11.095 6.169 -2.501 1.00 0.00 O ATOM 361 CB PHE A 27 13.244 5.390 -0.050 1.00 0.00 C ATOM 362 CG PHE A 27 13.617 5.806 1.350 1.00 0.00 C ATOM 363 CD1 PHE A 27 13.162 5.100 2.454 1.00 0.00 C ATOM 364 CD2 PHE A 27 14.435 6.905 1.557 1.00 0.00 C ATOM 365 CE1 PHE A 27 13.515 5.483 3.734 1.00 0.00 C ATOM 366 CE2 PHE A 27 14.792 7.291 2.835 1.00 0.00 C ATOM 367 CZ PHE A 27 14.331 6.580 3.925 1.00 0.00 C ATOM 0 H PHE A 27 11.745 3.586 0.772 1.00 0.00 H new ATOM 0 HA PHE A 27 11.280 6.303 -0.002 1.00 0.00 H new ATOM 0 HB2 PHE A 27 13.649 4.396 -0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 27 13.722 6.069 -0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.524 4.240 2.311 1.00 0.00 H new ATOM 0 HD2 PHE A 27 14.798 7.467 0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 27 13.153 4.924 4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 27 15.432 8.149 2.981 1.00 0.00 H new ATOM 0 HZ PHE A 27 14.608 6.881 4.924 1.00 0.00 H new ATOM 377 N PHE A 28 11.845 4.056 -2.365 1.00 0.00 N ATOM 378 CA PHE A 28 11.721 3.792 -3.799 1.00 0.00 C ATOM 379 C PHE A 28 10.266 3.687 -4.241 1.00 0.00 C ATOM 380 O PHE A 28 9.942 3.932 -5.402 1.00 0.00 O ATOM 381 CB PHE A 28 12.475 2.511 -4.178 1.00 0.00 C ATOM 382 CG PHE A 28 13.975 2.650 -4.147 1.00 0.00 C ATOM 383 CD1 PHE A 28 14.634 3.029 -2.987 1.00 0.00 C ATOM 384 CD2 PHE A 28 14.726 2.402 -5.286 1.00 0.00 C ATOM 385 CE1 PHE A 28 16.010 3.158 -2.964 1.00 0.00 C ATOM 386 CE2 PHE A 28 16.102 2.529 -5.268 1.00 0.00 C ATOM 387 CZ PHE A 28 16.744 2.908 -4.106 1.00 0.00 C ATOM 0 H PHE A 28 12.200 3.268 -1.823 1.00 0.00 H new ATOM 0 HA PHE A 28 12.165 4.641 -4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.180 1.713 -3.496 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.170 2.204 -5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 28 14.065 3.226 -2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 28 14.230 2.106 -6.198 1.00 0.00 H new ATOM 0 HE1 PHE A 28 16.510 3.454 -2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 28 16.675 2.332 -6.162 1.00 0.00 H new ATOM 0 HZ PHE A 28 17.819 3.009 -4.091 1.00 0.00 H new ATOM 397 N TYR A 29 9.394 3.317 -3.319 1.00 0.00 N ATOM 398 CA TYR A 29 7.976 3.179 -3.631 1.00 0.00 C ATOM 399 C TYR A 29 7.130 3.947 -2.629 1.00 0.00 C ATOM 400 O TYR A 29 7.277 3.762 -1.422 1.00 0.00 O ATOM 401 CB TYR A 29 7.541 1.708 -3.630 1.00 0.00 C ATOM 402 CG TYR A 29 8.119 0.870 -4.751 1.00 0.00 C ATOM 403 CD1 TYR A 29 9.460 0.505 -4.763 1.00 0.00 C ATOM 404 CD2 TYR A 29 7.312 0.428 -5.791 1.00 0.00 C ATOM 405 CE1 TYR A 29 9.979 -0.272 -5.782 1.00 0.00 C ATOM 406 CE2 TYR A 29 7.822 -0.350 -6.810 1.00 0.00 C ATOM 407 CZ TYR A 29 9.155 -0.697 -6.802 1.00 0.00 C ATOM 408 OH TYR A 29 9.663 -1.474 -7.815 1.00 0.00 O ATOM 0 H TYR A 29 9.638 3.107 -2.351 1.00 0.00 H new ATOM 0 HA TYR A 29 7.825 3.589 -4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.826 1.261 -2.678 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.453 1.666 -3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 29 10.107 0.834 -3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.266 0.698 -5.802 1.00 0.00 H new ATOM 0 HE1 TYR A 29 11.024 -0.544 -5.779 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.179 -0.685 -7.610 1.00 0.00 H new ATOM 0 HH TYR A 29 8.950 -1.688 -8.452 1.00 0.00 H new ATOM 418 N PRO A 30 6.221 4.801 -3.119 1.00 0.00 N ATOM 419 CA PRO A 30 5.331 5.590 -2.262 1.00 0.00 C ATOM 420 C PRO A 30 4.321 4.710 -1.534 1.00 0.00 C ATOM 421 O PRO A 30 4.315 3.490 -1.714 1.00 0.00 O ATOM 422 CB PRO A 30 4.622 6.526 -3.245 1.00 0.00 C ATOM 423 CG PRO A 30 4.682 5.819 -4.554 1.00 0.00 C ATOM 424 CD PRO A 30 5.974 5.049 -4.551 1.00 0.00 C ATOM 0 HA PRO A 30 5.874 6.118 -1.478 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.591 6.711 -2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.118 7.495 -3.296 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.830 5.150 -4.676 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.652 6.528 -5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.888 4.118 -5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.783 5.621 -5.005 1.00 0.00 H new ATOM 432 N CYS A 31 3.474 5.333 -0.715 1.00 0.00 N ATOM 433 CA CYS A 31 2.457 4.612 0.046 1.00 0.00 C ATOM 434 C CYS A 31 1.545 3.826 -0.892 1.00 0.00 C ATOM 435 O CYS A 31 0.591 4.367 -1.440 1.00 0.00 O ATOM 436 CB CYS A 31 1.615 5.587 0.880 1.00 0.00 C ATOM 437 SG CYS A 31 2.492 6.438 2.246 1.00 0.00 S ATOM 0 H CYS A 31 3.473 6.341 -0.562 1.00 0.00 H new ATOM 0 HA CYS A 31 2.966 3.918 0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.203 6.343 0.212 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.772 5.040 1.301 1.00 0.00 H new ATOM 442 N SER A 32 1.857 2.553 -1.082 1.00 0.00 N ATOM 443 CA SER A 32 1.087 1.700 -1.967 1.00 0.00 C ATOM 444 C SER A 32 1.011 0.282 -1.433 1.00 0.00 C ATOM 445 O SER A 32 1.984 -0.238 -0.885 1.00 0.00 O ATOM 446 CB SER A 32 1.725 1.706 -3.355 1.00 0.00 C ATOM 447 OG SER A 32 3.136 1.548 -3.263 1.00 0.00 O ATOM 0 H SER A 32 2.644 2.088 -0.630 1.00 0.00 H new ATOM 0 HA SER A 32 0.070 2.088 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.303 0.902 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.492 2.641 -3.863 1.00 0.00 H new ATOM 0 HG SER A 32 3.526 2.335 -2.828 1.00 0.00 H new ATOM 453 N CYS A 33 -0.142 -0.348 -1.605 1.00 0.00 N ATOM 454 CA CYS A 33 -0.331 -1.708 -1.154 1.00 0.00 C ATOM 455 C CYS A 33 0.473 -2.627 -2.035 1.00 0.00 C ATOM 456 O CYS A 33 0.393 -2.541 -3.260 1.00 0.00 O ATOM 457 CB CYS A 33 -1.806 -2.119 -1.180 1.00 0.00 C ATOM 458 SG CYS A 33 -2.955 -0.821 -0.615 1.00 0.00 S ATOM 0 H CYS A 33 -0.958 0.066 -2.055 1.00 0.00 H new ATOM 0 HA CYS A 33 0.007 -1.778 -0.120 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.073 -2.407 -2.197 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.937 -3.002 -0.554 1.00 0.00 H new ATOM 463 N ARG A 34 1.247 -3.480 -1.395 1.00 0.00 N ATOM 464 CA ARG A 34 2.103 -4.447 -2.057 1.00 0.00 C ATOM 465 C ARG A 34 1.993 -5.740 -1.267 1.00 0.00 C ATOM 466 O ARG A 34 1.506 -5.712 -0.133 1.00 0.00 O ATOM 467 CB ARG A 34 3.569 -3.969 -2.066 1.00 0.00 C ATOM 468 CG ARG A 34 3.760 -2.524 -2.506 1.00 0.00 C ATOM 469 CD ARG A 34 3.709 -2.363 -4.016 1.00 0.00 C ATOM 470 NE ARG A 34 3.692 -0.951 -4.405 1.00 0.00 N ATOM 471 CZ ARG A 34 3.871 -0.502 -5.647 1.00 0.00 C ATOM 472 NH1 ARG A 34 4.178 -1.343 -6.629 1.00 0.00 N ATOM 473 NH2 ARG A 34 3.757 0.797 -5.897 1.00 0.00 N ATOM 0 H ARG A 34 1.300 -3.522 -0.377 1.00 0.00 H new ATOM 0 HA ARG A 34 1.795 -4.581 -3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.983 -4.088 -1.065 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.145 -4.616 -2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.987 -1.904 -2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.719 -2.159 -2.137 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.572 -2.855 -4.465 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.821 -2.860 -4.406 1.00 0.00 H new ATOM 0 HE ARG A 34 3.531 -0.261 -3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.278 -2.339 -6.435 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.314 -0.992 -7.577 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.534 1.444 -5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.893 1.148 -6.845 1.00 0.00 H new ATOM 487 N PRO A 35 2.416 -6.882 -1.831 1.00 0.00 N ATOM 488 CA PRO A 35 2.349 -8.165 -1.129 1.00 0.00 C ATOM 489 C PRO A 35 2.949 -8.058 0.272 1.00 0.00 C ATOM 490 O PRO A 35 3.941 -7.357 0.477 1.00 0.00 O ATOM 491 CB PRO A 35 3.184 -9.102 -1.998 1.00 0.00 C ATOM 492 CG PRO A 35 3.170 -8.498 -3.362 1.00 0.00 C ATOM 493 CD PRO A 35 2.984 -7.013 -3.183 1.00 0.00 C ATOM 0 HA PRO A 35 1.324 -8.511 -0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.202 -9.188 -1.617 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.762 -10.107 -2.009 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.101 -8.710 -3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.363 -8.918 -3.962 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.930 -6.479 -3.271 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.314 -6.601 -3.938 1.00 0.00 H new ATOM 501 N LYS A 36 2.342 -8.731 1.235 1.00 0.00 N ATOM 502 CA LYS A 36 2.825 -8.674 2.601 1.00 0.00 C ATOM 503 C LYS A 36 4.042 -9.569 2.751 1.00 0.00 C ATOM 504 O LYS A 36 3.993 -10.756 2.433 1.00 0.00 O ATOM 505 CB LYS A 36 1.720 -9.093 3.567 1.00 0.00 C ATOM 506 CG LYS A 36 2.013 -8.785 5.026 1.00 0.00 C ATOM 507 CD LYS A 36 0.745 -8.857 5.864 1.00 0.00 C ATOM 508 CE LYS A 36 -0.264 -7.807 5.420 1.00 0.00 C ATOM 509 NZ LYS A 36 -1.586 -7.978 6.078 1.00 0.00 N ATOM 0 H LYS A 36 1.520 -9.319 1.096 1.00 0.00 H new ATOM 0 HA LYS A 36 3.114 -7.650 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.795 -8.592 3.281 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.549 -10.164 3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.748 -9.493 5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.453 -7.791 5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.304 -9.850 5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.991 -8.708 6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.126 -6.814 5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.390 -7.862 4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.238 -7.240 5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.972 -8.914 5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.473 -7.899 7.109 1.00 0.00 H new ATOM 523 N GLY A 37 5.134 -8.977 3.203 1.00 0.00 N ATOM 524 CA GLY A 37 6.371 -9.716 3.350 1.00 0.00 C ATOM 525 C GLY A 37 7.128 -9.753 2.041 1.00 0.00 C ATOM 526 O GLY A 37 7.640 -10.795 1.635 1.00 0.00 O ATOM 0 H GLY A 37 5.188 -7.995 3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.988 -9.253 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.157 -10.732 3.681 1.00 0.00 H new ATOM 530 N TRP A 38 7.171 -8.602 1.383 1.00 0.00 N ATOM 531 CA TRP A 38 7.845 -8.456 0.104 1.00 0.00 C ATOM 532 C TRP A 38 9.355 -8.330 0.307 1.00 0.00 C ATOM 533 O TRP A 38 10.104 -8.515 -0.675 1.00 0.00 O ATOM 534 CB TRP A 38 7.291 -7.225 -0.636 1.00 0.00 C ATOM 535 CG TRP A 38 7.763 -5.911 -0.074 1.00 0.00 C ATOM 536 CD1 TRP A 38 8.777 -5.140 -0.560 1.00 0.00 C ATOM 537 CD2 TRP A 38 7.258 -5.224 1.083 1.00 0.00 C ATOM 538 NE1 TRP A 38 8.935 -4.017 0.214 1.00 0.00 N ATOM 539 CE2 TRP A 38 8.017 -4.046 1.230 1.00 0.00 C ATOM 540 CE3 TRP A 38 6.242 -5.486 2.007 1.00 0.00 C ATOM 541 CZ2 TRP A 38 7.792 -3.139 2.262 1.00 0.00 C ATOM 542 CZ3 TRP A 38 6.020 -4.584 3.029 1.00 0.00 C ATOM 543 CH2 TRP A 38 6.792 -3.423 3.150 1.00 0.00 C ATOM 544 OXT TRP A 38 9.772 -8.037 1.452 1.00 0.00 O ATOM 0 H TRP A 38 6.738 -7.743 1.723 1.00 0.00 H new ATOM 0 HA TRP A 38 7.659 -9.344 -0.501 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.579 -7.284 -1.686 1.00 0.00 H new ATOM 0 HB3 TRP A 38 6.202 -7.253 -0.602 1.00 0.00 H new ATOM 0 HD1 TRP A 38 9.371 -5.379 -1.430 1.00 0.00 H new ATOM 0 HE1 TRP A 38 9.624 -3.281 0.058 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.641 -6.379 1.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.387 -2.242 2.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.237 -4.778 3.747 1.00 0.00 H new ATOM 0 HH2 TRP A 38 6.594 -2.738 3.961 1.00 0.00 H new TER 555 TRP A 38