USER MOD reduce.3.24.130724 H: found=0, std=0, add=243, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 243 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 ASP N :NH3+ -130:sc= 0.522 (180deg=-0.0804) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 178:sc= 1.11 USER MOD Single : A 26 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.0575) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0155 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 15.442 3.602 1.162 1.00 0.00 N ATOM 2 CA ASP A 1 14.517 3.791 -0.001 1.00 0.00 C ATOM 3 C ASP A 1 13.423 4.811 0.347 1.00 0.00 C ATOM 4 O ASP A 1 12.791 4.729 1.385 1.00 0.00 O ATOM 5 CB ASP A 1 13.898 2.409 -0.295 1.00 0.00 C ATOM 6 CG ASP A 1 13.198 1.848 0.951 1.00 0.00 C ATOM 7 OD1 ASP A 1 13.888 1.351 1.826 1.00 0.00 O ATOM 8 OD2 ASP A 1 11.981 1.915 1.000 1.00 0.00 O ATOM 0 H1 ASP A 1 16.427 3.696 0.841 1.00 0.00 H new ATOM 0 H2 ASP A 1 15.243 4.323 1.885 1.00 0.00 H new ATOM 0 H3 ASP A 1 15.300 2.655 1.569 1.00 0.00 H new ATOM 0 HA ASP A 1 15.049 4.175 -0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 1 13.182 2.493 -1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 1 14.676 1.719 -0.622 1.00 0.00 H new ATOM 15 N GLY A 2 13.199 5.772 -0.514 1.00 0.00 N ATOM 16 CA GLY A 2 12.149 6.805 -0.247 1.00 0.00 C ATOM 17 C GLY A 2 11.303 7.012 -1.506 1.00 0.00 C ATOM 18 O GLY A 2 11.375 8.041 -2.151 1.00 0.00 O ATOM 0 H GLY A 2 13.700 5.887 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 2 11.515 6.489 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.615 7.745 0.049 1.00 0.00 H new ATOM 22 N GLU A 3 10.499 6.037 -1.856 1.00 0.00 N ATOM 23 CA GLU A 3 9.641 6.162 -3.073 1.00 0.00 C ATOM 24 C GLU A 3 8.159 6.026 -2.696 1.00 0.00 C ATOM 25 O GLU A 3 7.827 5.642 -1.594 1.00 0.00 O ATOM 26 CB GLU A 3 10.076 5.005 -3.980 1.00 0.00 C ATOM 27 CG GLU A 3 10.323 5.527 -5.400 1.00 0.00 C ATOM 28 CD GLU A 3 9.021 5.468 -6.205 1.00 0.00 C ATOM 29 OE1 GLU A 3 8.617 4.373 -6.564 1.00 0.00 O ATOM 30 OE2 GLU A 3 8.450 6.519 -6.449 1.00 0.00 O ATOM 0 H GLU A 3 10.401 5.158 -1.348 1.00 0.00 H new ATOM 0 HA GLU A 3 9.753 7.130 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.983 4.544 -3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.307 4.233 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.692 6.552 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.092 4.929 -5.889 1.00 0.00 H new ATOM 37 N CYS A 4 7.269 6.336 -3.607 1.00 0.00 N ATOM 38 CA CYS A 4 5.807 6.217 -3.307 1.00 0.00 C ATOM 39 C CYS A 4 5.135 5.301 -4.337 1.00 0.00 C ATOM 40 O CYS A 4 5.618 5.134 -5.444 1.00 0.00 O ATOM 41 CB CYS A 4 5.259 7.654 -3.376 1.00 0.00 C ATOM 42 SG CYS A 4 3.889 7.775 -4.561 1.00 0.00 S ATOM 0 H CYS A 4 7.492 6.666 -4.546 1.00 0.00 H new ATOM 0 HA CYS A 4 5.613 5.774 -2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.918 7.964 -2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.057 8.337 -3.667 1.00 0.00 H new ATOM 47 N GLY A 5 4.029 4.706 -3.977 1.00 0.00 N ATOM 48 CA GLY A 5 3.315 3.798 -4.918 1.00 0.00 C ATOM 49 C GLY A 5 2.225 4.578 -5.656 1.00 0.00 C ATOM 50 O GLY A 5 2.496 5.551 -6.335 1.00 0.00 O ATOM 0 H GLY A 5 3.587 4.812 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.019 3.372 -5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.873 2.965 -4.371 1.00 0.00 H new ATOM 54 N GLY A 6 0.993 4.157 -5.524 1.00 0.00 N ATOM 55 CA GLY A 6 -0.126 4.866 -6.208 1.00 0.00 C ATOM 56 C GLY A 6 -1.372 4.821 -5.316 1.00 0.00 C ATOM 57 O GLY A 6 -1.273 4.784 -4.104 1.00 0.00 O ATOM 0 H GLY A 6 0.714 3.348 -4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.153 5.900 -6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.335 4.397 -7.170 1.00 0.00 H new ATOM 61 N PHE A 7 -2.543 4.814 -5.904 1.00 0.00 N ATOM 62 CA PHE A 7 -3.797 4.762 -5.085 1.00 0.00 C ATOM 63 C PHE A 7 -4.200 3.303 -4.799 1.00 0.00 C ATOM 64 O PHE A 7 -4.984 3.039 -3.908 1.00 0.00 O ATOM 65 CB PHE A 7 -4.861 5.498 -5.927 1.00 0.00 C ATOM 66 CG PHE A 7 -5.689 4.515 -6.730 1.00 0.00 C ATOM 67 CD1 PHE A 7 -5.185 3.979 -7.921 1.00 0.00 C ATOM 68 CD2 PHE A 7 -6.963 4.146 -6.279 1.00 0.00 C ATOM 69 CE1 PHE A 7 -5.955 3.072 -8.660 1.00 0.00 C ATOM 70 CE2 PHE A 7 -7.731 3.239 -7.018 1.00 0.00 C ATOM 71 CZ PHE A 7 -7.227 2.702 -8.208 1.00 0.00 C ATOM 0 H PHE A 7 -2.686 4.842 -6.914 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.674 5.231 -4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.511 6.078 -5.272 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.374 6.204 -6.599 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.204 4.265 -8.270 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.352 4.561 -5.361 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.567 2.658 -9.579 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.713 2.953 -6.670 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.820 2.002 -8.778 1.00 0.00 H new ATOM 81 N TRP A 8 -3.668 2.359 -5.543 1.00 0.00 N ATOM 82 CA TRP A 8 -4.017 0.923 -5.309 1.00 0.00 C ATOM 83 C TRP A 8 -2.944 0.013 -5.924 1.00 0.00 C ATOM 84 O TRP A 8 -3.187 -0.687 -6.890 1.00 0.00 O ATOM 85 CB TRP A 8 -5.367 0.720 -6.003 1.00 0.00 C ATOM 86 CG TRP A 8 -6.128 -0.359 -5.302 1.00 0.00 C ATOM 87 CD1 TRP A 8 -5.855 -1.684 -5.384 1.00 0.00 C ATOM 88 CD2 TRP A 8 -7.274 -0.231 -4.416 1.00 0.00 C ATOM 89 NE1 TRP A 8 -6.763 -2.373 -4.602 1.00 0.00 N ATOM 90 CE2 TRP A 8 -7.658 -1.522 -3.986 1.00 0.00 C ATOM 91 CE3 TRP A 8 -8.011 0.871 -3.947 1.00 0.00 C ATOM 92 CZ2 TRP A 8 -8.736 -1.714 -3.122 1.00 0.00 C ATOM 93 CZ3 TRP A 8 -9.095 0.682 -3.077 1.00 0.00 C ATOM 94 CH2 TRP A 8 -9.458 -0.607 -2.665 1.00 0.00 C ATOM 0 H TRP A 8 -3.007 2.524 -6.302 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.070 0.677 -4.249 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.937 1.649 -5.992 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.214 0.452 -7.049 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.060 -2.128 -5.964 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.771 -3.387 -4.493 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -7.741 1.869 -4.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -9.011 -2.710 -2.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -9.653 1.536 -2.722 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -10.294 -0.745 -1.996 1.00 0.00 H new ATOM 105 N TRP A 9 -1.758 0.025 -5.372 1.00 0.00 N ATOM 106 CA TRP A 9 -0.661 -0.834 -5.922 1.00 0.00 C ATOM 107 C TRP A 9 -0.564 -2.139 -5.124 1.00 0.00 C ATOM 108 O TRP A 9 -1.240 -2.313 -4.133 1.00 0.00 O ATOM 109 CB TRP A 9 0.614 0.002 -5.767 1.00 0.00 C ATOM 110 CG TRP A 9 0.651 1.072 -6.820 1.00 0.00 C ATOM 111 CD1 TRP A 9 -0.435 1.619 -7.423 1.00 0.00 C ATOM 112 CD2 TRP A 9 1.811 1.735 -7.400 1.00 0.00 C ATOM 113 NE1 TRP A 9 -0.012 2.570 -8.329 1.00 0.00 N ATOM 114 CE2 TRP A 9 1.362 2.681 -8.350 1.00 0.00 C ATOM 115 CE3 TRP A 9 3.196 1.611 -7.196 1.00 0.00 C ATOM 116 CZ2 TRP A 9 2.252 3.476 -9.071 1.00 0.00 C ATOM 117 CZ3 TRP A 9 4.096 2.410 -7.920 1.00 0.00 C ATOM 118 CH2 TRP A 9 3.624 3.341 -8.854 1.00 0.00 C ATOM 0 H TRP A 9 -1.500 0.592 -4.564 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.832 -1.115 -6.961 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.646 0.453 -4.775 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.492 -0.638 -5.854 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -1.463 1.353 -7.226 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.640 3.124 -8.912 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.571 0.897 -6.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.883 4.191 -9.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.158 2.306 -7.756 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.321 3.954 -9.406 1.00 0.00 H new ATOM 129 N LYS A 10 0.262 -3.061 -5.552 1.00 0.00 N ATOM 130 CA LYS A 10 0.383 -4.358 -4.812 1.00 0.00 C ATOM 131 C LYS A 10 1.543 -4.314 -3.819 1.00 0.00 C ATOM 132 O LYS A 10 2.640 -3.903 -4.149 1.00 0.00 O ATOM 133 CB LYS A 10 0.654 -5.414 -5.880 1.00 0.00 C ATOM 134 CG LYS A 10 -0.665 -6.071 -6.293 1.00 0.00 C ATOM 135 CD LYS A 10 -0.749 -6.146 -7.821 1.00 0.00 C ATOM 136 CE LYS A 10 -0.605 -7.602 -8.280 1.00 0.00 C ATOM 137 NZ LYS A 10 0.858 -7.892 -8.223 1.00 0.00 N ATOM 0 H LYS A 10 0.855 -2.974 -6.377 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.519 -4.572 -4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.132 -4.956 -6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.343 -6.166 -5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.733 -7.072 -5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.506 -5.499 -5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.702 -5.740 -8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.036 -5.535 -8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.165 -8.276 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.993 -7.736 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.030 -8.872 -8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.366 -7.241 -8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.199 -7.764 -7.249 1.00 0.00 H new ATOM 151 N CYS A 11 1.311 -4.753 -2.609 1.00 0.00 N ATOM 152 CA CYS A 11 2.401 -4.759 -1.594 1.00 0.00 C ATOM 153 C CYS A 11 2.186 -5.895 -0.581 1.00 0.00 C ATOM 154 O CYS A 11 1.089 -6.397 -0.424 1.00 0.00 O ATOM 155 CB CYS A 11 2.325 -3.390 -0.907 1.00 0.00 C ATOM 156 SG CYS A 11 0.796 -3.268 0.052 1.00 0.00 S ATOM 0 H CYS A 11 0.412 -5.107 -2.282 1.00 0.00 H new ATOM 0 HA CYS A 11 3.379 -4.926 -2.046 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.187 -3.253 -0.254 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.361 -2.596 -1.653 1.00 0.00 H new ATOM 161 N GLY A 12 3.228 -6.300 0.106 1.00 0.00 N ATOM 162 CA GLY A 12 3.090 -7.399 1.112 1.00 0.00 C ATOM 163 C GLY A 12 2.836 -6.790 2.494 1.00 0.00 C ATOM 164 O GLY A 12 1.851 -6.111 2.708 1.00 0.00 O ATOM 0 H GLY A 12 4.168 -5.916 0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.268 -8.059 0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.995 -8.007 1.130 1.00 0.00 H new ATOM 168 N ARG A 13 3.727 -7.020 3.429 1.00 0.00 N ATOM 169 CA ARG A 13 3.551 -6.445 4.800 1.00 0.00 C ATOM 170 C ARG A 13 4.236 -5.069 4.878 1.00 0.00 C ATOM 171 O ARG A 13 4.907 -4.749 5.843 1.00 0.00 O ATOM 172 CB ARG A 13 4.234 -7.446 5.740 1.00 0.00 C ATOM 173 CG ARG A 13 3.860 -7.136 7.193 1.00 0.00 C ATOM 174 CD ARG A 13 2.878 -8.190 7.711 1.00 0.00 C ATOM 175 NE ARG A 13 2.984 -8.114 9.198 1.00 0.00 N ATOM 176 CZ ARG A 13 3.512 -9.103 9.872 1.00 0.00 C ATOM 177 NH1 ARG A 13 4.760 -9.442 9.670 1.00 0.00 N ATOM 178 NH2 ARG A 13 2.792 -9.750 10.751 1.00 0.00 N ATOM 0 H ARG A 13 4.569 -7.582 3.301 1.00 0.00 H new ATOM 0 HA ARG A 13 2.503 -6.297 5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.931 -8.462 5.486 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.316 -7.396 5.615 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.756 -7.124 7.814 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.412 -6.144 7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.862 -7.982 7.376 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.137 -9.184 7.347 1.00 0.00 H new ATOM 0 HE ARG A 13 2.644 -7.288 9.690 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.322 -8.935 8.986 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.171 -10.213 10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.820 -9.483 10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.202 -10.521 11.278 1.00 0.00 H new ATOM 192 N GLY A 14 4.072 -4.255 3.862 1.00 0.00 N ATOM 193 CA GLY A 14 4.712 -2.906 3.859 1.00 0.00 C ATOM 194 C GLY A 14 6.083 -2.989 3.179 1.00 0.00 C ATOM 195 O GLY A 14 7.036 -2.370 3.617 1.00 0.00 O ATOM 0 H GLY A 14 3.519 -4.471 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.077 -2.192 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.823 -2.543 4.881 1.00 0.00 H new ATOM 199 N LYS A 15 6.190 -3.745 2.111 1.00 0.00 N ATOM 200 CA LYS A 15 7.504 -3.863 1.401 1.00 0.00 C ATOM 201 C LYS A 15 7.762 -2.603 0.558 1.00 0.00 C ATOM 202 O LYS A 15 8.693 -1.867 0.831 1.00 0.00 O ATOM 203 CB LYS A 15 7.389 -5.112 0.515 1.00 0.00 C ATOM 204 CG LYS A 15 8.218 -6.251 1.116 1.00 0.00 C ATOM 205 CD LYS A 15 7.609 -7.595 0.708 1.00 0.00 C ATOM 206 CE LYS A 15 8.665 -8.698 0.834 1.00 0.00 C ATOM 207 NZ LYS A 15 7.898 -9.933 1.171 1.00 0.00 N ATOM 0 H LYS A 15 5.427 -4.284 1.702 1.00 0.00 H new ATOM 0 HA LYS A 15 8.340 -3.953 2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.345 -5.415 0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.738 -4.888 -0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.249 -6.187 0.769 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.241 -6.165 2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.752 -7.824 1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.243 -7.543 -0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.220 -8.820 -0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.392 -8.461 1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.555 -10.733 1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.385 -9.790 2.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.219 -10.138 0.411 1.00 0.00 H new ATOM 221 N PRO A 16 6.923 -2.379 -0.430 1.00 0.00 N ATOM 222 CA PRO A 16 7.067 -1.181 -1.295 1.00 0.00 C ATOM 223 C PRO A 16 6.606 0.068 -0.528 1.00 0.00 C ATOM 224 O PRO A 16 5.563 0.049 0.101 1.00 0.00 O ATOM 225 CB PRO A 16 6.135 -1.469 -2.468 1.00 0.00 C ATOM 226 CG PRO A 16 5.116 -2.421 -1.929 1.00 0.00 C ATOM 227 CD PRO A 16 5.782 -3.210 -0.832 1.00 0.00 C ATOM 0 HA PRO A 16 8.093 -0.995 -1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.667 -0.555 -2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.679 -1.906 -3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.251 -1.881 -1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.755 -3.084 -2.715 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.102 -3.383 0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.107 -4.188 -1.187 1.00 0.00 H new ATOM 235 N PRO A 17 7.396 1.114 -0.596 1.00 0.00 N ATOM 236 CA PRO A 17 7.044 2.368 0.116 1.00 0.00 C ATOM 237 C PRO A 17 5.889 3.083 -0.602 1.00 0.00 C ATOM 238 O PRO A 17 6.046 3.583 -1.700 1.00 0.00 O ATOM 239 CB PRO A 17 8.327 3.192 0.046 1.00 0.00 C ATOM 240 CG PRO A 17 9.052 2.683 -1.160 1.00 0.00 C ATOM 241 CD PRO A 17 8.666 1.234 -1.327 1.00 0.00 C ATOM 0 HA PRO A 17 6.708 2.203 1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.108 4.256 -0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.926 3.067 0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.781 3.259 -2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.130 2.783 -1.033 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.547 0.972 -2.378 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.426 0.569 -0.917 1.00 0.00 H new ATOM 249 N CYS A 18 4.731 3.132 0.012 1.00 0.00 N ATOM 250 CA CYS A 18 3.564 3.818 -0.631 1.00 0.00 C ATOM 251 C CYS A 18 3.707 5.340 -0.496 1.00 0.00 C ATOM 252 O CYS A 18 4.660 5.831 0.082 1.00 0.00 O ATOM 253 CB CYS A 18 2.326 3.327 0.130 1.00 0.00 C ATOM 254 SG CYS A 18 2.150 1.540 -0.070 1.00 0.00 S ATOM 0 H CYS A 18 4.543 2.727 0.929 1.00 0.00 H new ATOM 0 HA CYS A 18 3.496 3.593 -1.695 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.416 3.576 1.187 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.435 3.833 -0.242 1.00 0.00 H new ATOM 259 N CYS A 19 2.770 6.088 -1.024 1.00 0.00 N ATOM 260 CA CYS A 19 2.856 7.581 -0.925 1.00 0.00 C ATOM 261 C CYS A 19 2.212 8.060 0.382 1.00 0.00 C ATOM 262 O CYS A 19 1.310 7.430 0.904 1.00 0.00 O ATOM 263 CB CYS A 19 2.081 8.132 -2.134 1.00 0.00 C ATOM 264 SG CYS A 19 2.286 7.043 -3.570 1.00 0.00 S ATOM 0 H CYS A 19 1.951 5.733 -1.518 1.00 0.00 H new ATOM 0 HA CYS A 19 3.891 7.924 -0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.023 8.221 -1.886 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.437 9.133 -2.376 1.00 0.00 H new ATOM 269 N LYS A 20 2.678 9.166 0.916 1.00 0.00 N ATOM 270 CA LYS A 20 2.109 9.698 2.194 1.00 0.00 C ATOM 271 C LYS A 20 0.579 9.793 2.104 1.00 0.00 C ATOM 272 O LYS A 20 0.041 10.498 1.271 1.00 0.00 O ATOM 273 CB LYS A 20 2.726 11.092 2.365 1.00 0.00 C ATOM 274 CG LYS A 20 3.106 11.310 3.833 1.00 0.00 C ATOM 275 CD LYS A 20 3.046 12.806 4.164 1.00 0.00 C ATOM 276 CE LYS A 20 4.096 13.141 5.232 1.00 0.00 C ATOM 277 NZ LYS A 20 4.845 14.313 4.692 1.00 0.00 N ATOM 0 H LYS A 20 3.433 9.725 0.518 1.00 0.00 H new ATOM 0 HA LYS A 20 2.335 9.049 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.608 11.190 1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.017 11.856 2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.426 10.756 4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.109 10.926 4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.227 13.395 3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.051 13.069 4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.625 13.380 6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.761 12.296 5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.580 14.598 5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.289 14.054 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.188 15.105 4.541 1.00 0.00 H new ATOM 291 N GLY A 21 -0.118 9.079 2.952 1.00 0.00 N ATOM 292 CA GLY A 21 -1.613 9.113 2.922 1.00 0.00 C ATOM 293 C GLY A 21 -2.154 7.708 2.637 1.00 0.00 C ATOM 294 O GLY A 21 -3.181 7.315 3.161 1.00 0.00 O ATOM 0 H GLY A 21 0.285 8.472 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.998 9.475 3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.956 9.808 2.155 1.00 0.00 H new ATOM 298 N TYR A 22 -1.475 6.948 1.812 1.00 0.00 N ATOM 299 CA TYR A 22 -1.955 5.566 1.494 1.00 0.00 C ATOM 300 C TYR A 22 -1.290 4.549 2.431 1.00 0.00 C ATOM 301 O TYR A 22 -0.191 4.760 2.910 1.00 0.00 O ATOM 302 CB TYR A 22 -1.540 5.296 0.039 1.00 0.00 C ATOM 303 CG TYR A 22 -1.867 6.483 -0.849 1.00 0.00 C ATOM 304 CD1 TYR A 22 -3.038 7.226 -0.644 1.00 0.00 C ATOM 305 CD2 TYR A 22 -0.993 6.835 -1.886 1.00 0.00 C ATOM 306 CE1 TYR A 22 -3.330 8.317 -1.471 1.00 0.00 C ATOM 307 CE2 TYR A 22 -1.286 7.926 -2.712 1.00 0.00 C ATOM 308 CZ TYR A 22 -2.455 8.666 -2.504 1.00 0.00 C ATOM 309 OH TYR A 22 -2.743 9.743 -3.318 1.00 0.00 O ATOM 0 H TYR A 22 -0.611 7.224 1.346 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.034 5.477 1.624 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.471 5.088 -0.005 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.053 4.408 -0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.715 6.956 0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.091 6.263 -2.048 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.232 8.889 -1.311 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.610 8.197 -3.510 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.032 9.849 -3.984 1.00 0.00 H new ATOM 319 N ALA A 23 -1.952 3.450 2.689 1.00 0.00 N ATOM 320 CA ALA A 23 -1.374 2.407 3.591 1.00 0.00 C ATOM 321 C ALA A 23 -1.367 1.045 2.888 1.00 0.00 C ATOM 322 O ALA A 23 -2.241 0.739 2.097 1.00 0.00 O ATOM 323 CB ALA A 23 -2.302 2.379 4.807 1.00 0.00 C ATOM 0 H ALA A 23 -2.873 3.229 2.312 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.343 2.625 3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.945 1.636 5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.311 3.361 5.281 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.312 2.121 4.488 1.00 0.00 H new ATOM 329 N CYS A 24 -0.383 0.227 3.170 1.00 0.00 N ATOM 330 CA CYS A 24 -0.310 -1.117 2.519 1.00 0.00 C ATOM 331 C CYS A 24 -1.062 -2.154 3.355 1.00 0.00 C ATOM 332 O CYS A 24 -1.306 -1.965 4.533 1.00 0.00 O ATOM 333 CB CYS A 24 1.184 -1.451 2.454 1.00 0.00 C ATOM 334 SG CYS A 24 1.418 -3.181 1.972 1.00 0.00 S ATOM 0 H CYS A 24 0.373 0.432 3.823 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.768 -1.120 1.530 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.680 -0.796 1.737 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.647 -1.270 3.424 1.00 0.00 H new ATOM 339 N SER A 25 -1.433 -3.248 2.745 1.00 0.00 N ATOM 340 CA SER A 25 -2.175 -4.309 3.481 1.00 0.00 C ATOM 341 C SER A 25 -1.697 -5.699 3.048 1.00 0.00 C ATOM 342 O SER A 25 -1.855 -6.085 1.909 1.00 0.00 O ATOM 343 CB SER A 25 -3.641 -4.106 3.093 1.00 0.00 C ATOM 344 OG SER A 25 -4.157 -2.969 3.775 1.00 0.00 O ATOM 0 H SER A 25 -1.252 -3.452 1.762 1.00 0.00 H new ATOM 0 HA SER A 25 -2.020 -4.244 4.558 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.728 -3.968 2.015 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.222 -4.992 3.348 1.00 0.00 H new ATOM 0 HG SER A 25 -5.085 -2.816 3.500 1.00 0.00 H new ATOM 350 N LYS A 26 -1.126 -6.456 3.953 1.00 0.00 N ATOM 351 CA LYS A 26 -0.660 -7.829 3.591 1.00 0.00 C ATOM 352 C LYS A 26 -1.876 -8.751 3.442 1.00 0.00 C ATOM 353 O LYS A 26 -1.935 -9.577 2.551 1.00 0.00 O ATOM 354 CB LYS A 26 0.232 -8.280 4.752 1.00 0.00 C ATOM 355 CG LYS A 26 0.590 -9.762 4.585 1.00 0.00 C ATOM 356 CD LYS A 26 2.111 -9.927 4.528 1.00 0.00 C ATOM 357 CE LYS A 26 2.491 -10.819 3.340 1.00 0.00 C ATOM 358 NZ LYS A 26 2.102 -12.204 3.743 1.00 0.00 N ATOM 0 H LYS A 26 -0.963 -6.183 4.922 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.114 -7.853 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.140 -7.678 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.283 -8.125 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.184 -10.339 5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.138 -10.154 3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.589 -8.952 4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.474 -10.368 5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.967 -10.512 2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.558 -10.757 3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.882 -12.859 3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.898 -12.224 4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.255 -12.494 3.214 1.00 0.00 H new ATOM 372 N THR A 27 -2.854 -8.593 4.303 1.00 0.00 N ATOM 373 CA THR A 27 -4.090 -9.436 4.214 1.00 0.00 C ATOM 374 C THR A 27 -4.799 -9.159 2.885 1.00 0.00 C ATOM 375 O THR A 27 -5.286 -10.059 2.228 1.00 0.00 O ATOM 376 CB THR A 27 -4.972 -8.997 5.393 1.00 0.00 C ATOM 377 OG1 THR A 27 -4.189 -8.927 6.578 1.00 0.00 O ATOM 378 CG2 THR A 27 -6.106 -10.004 5.590 1.00 0.00 C ATOM 0 H THR A 27 -2.850 -7.915 5.065 1.00 0.00 H new ATOM 0 HA THR A 27 -3.870 -10.503 4.257 1.00 0.00 H new ATOM 0 HB THR A 27 -5.393 -8.014 5.179 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.754 -8.645 7.327 1.00 0.00 H new ATOM 0 HG21 THR A 27 -6.730 -9.690 6.427 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.711 -10.053 4.685 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.686 -10.988 5.799 1.00 0.00 H new ATOM 386 N TRP A 28 -4.843 -7.912 2.488 1.00 0.00 N ATOM 387 CA TRP A 28 -5.502 -7.547 1.196 1.00 0.00 C ATOM 388 C TRP A 28 -4.541 -7.839 0.037 1.00 0.00 C ATOM 389 O TRP A 28 -4.941 -8.310 -1.012 1.00 0.00 O ATOM 390 CB TRP A 28 -5.786 -6.039 1.298 1.00 0.00 C ATOM 391 CG TRP A 28 -6.712 -5.754 2.448 1.00 0.00 C ATOM 392 CD1 TRP A 28 -7.257 -6.686 3.270 1.00 0.00 C ATOM 393 CD2 TRP A 28 -7.209 -4.464 2.917 1.00 0.00 C ATOM 394 NE1 TRP A 28 -8.045 -6.052 4.210 1.00 0.00 N ATOM 395 CE2 TRP A 28 -8.050 -4.684 4.034 1.00 0.00 C ATOM 396 CE3 TRP A 28 -7.012 -3.139 2.487 1.00 0.00 C ATOM 397 CZ2 TRP A 28 -8.672 -3.629 4.701 1.00 0.00 C ATOM 398 CZ3 TRP A 28 -7.639 -2.074 3.156 1.00 0.00 C ATOM 399 CH2 TRP A 28 -8.467 -2.320 4.260 1.00 0.00 C ATOM 0 H TRP A 28 -4.449 -7.127 3.006 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.416 -8.113 1.015 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.851 -5.495 1.433 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.231 -5.683 0.369 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.100 -7.752 3.200 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.561 -6.536 4.945 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.375 -2.939 1.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.308 -3.823 5.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.482 -1.060 2.818 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.946 -1.497 4.769 1.00 0.00 H new ATOM 410 N GLY A 29 -3.274 -7.570 0.233 1.00 0.00 N ATOM 411 CA GLY A 29 -2.259 -7.833 -0.831 1.00 0.00 C ATOM 412 C GLY A 29 -1.997 -6.565 -1.653 1.00 0.00 C ATOM 413 O GLY A 29 -1.399 -6.630 -2.711 1.00 0.00 O ATOM 0 H GLY A 29 -2.897 -7.175 1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.330 -8.177 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.609 -8.631 -1.486 1.00 0.00 H new ATOM 417 N TRP A 30 -2.427 -5.410 -1.189 1.00 0.00 N ATOM 418 CA TRP A 30 -2.179 -4.160 -1.973 1.00 0.00 C ATOM 419 C TRP A 30 -2.071 -2.936 -1.051 1.00 0.00 C ATOM 420 O TRP A 30 -2.238 -3.031 0.151 1.00 0.00 O ATOM 421 CB TRP A 30 -3.373 -4.041 -2.938 1.00 0.00 C ATOM 422 CG TRP A 30 -4.598 -3.565 -2.220 1.00 0.00 C ATOM 423 CD1 TRP A 30 -4.797 -2.302 -1.777 1.00 0.00 C ATOM 424 CD2 TRP A 30 -5.798 -4.315 -1.874 1.00 0.00 C ATOM 425 NE1 TRP A 30 -6.033 -2.233 -1.168 1.00 0.00 N ATOM 426 CE2 TRP A 30 -6.691 -3.447 -1.204 1.00 0.00 C ATOM 427 CE3 TRP A 30 -6.190 -5.650 -2.069 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -7.933 -3.889 -0.745 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -7.440 -6.098 -1.610 1.00 0.00 C ATOM 430 CH2 TRP A 30 -8.308 -5.218 -0.949 1.00 0.00 C ATOM 0 H TRP A 30 -2.932 -5.283 -0.312 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.233 -4.202 -2.513 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.127 -3.349 -3.743 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.570 -5.009 -3.399 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.102 -1.482 -1.883 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.415 -1.388 -0.743 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.527 -6.336 -2.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -8.599 -3.208 -0.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -7.734 -7.125 -1.767 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -9.267 -5.568 -0.597 1.00 0.00 H new ATOM 441 N CYS A 31 -1.794 -1.789 -1.620 1.00 0.00 N ATOM 442 CA CYS A 31 -1.667 -0.542 -0.816 1.00 0.00 C ATOM 443 C CYS A 31 -2.594 0.534 -1.383 1.00 0.00 C ATOM 444 O CYS A 31 -2.498 0.904 -2.538 1.00 0.00 O ATOM 445 CB CYS A 31 -0.201 -0.122 -0.965 1.00 0.00 C ATOM 446 SG CYS A 31 0.173 1.218 0.188 1.00 0.00 S ATOM 0 H CYS A 31 -1.649 -1.666 -2.622 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.942 -0.687 0.229 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.452 -0.973 -0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.008 0.202 -1.988 1.00 0.00 H new ATOM 451 N ALA A 32 -3.491 1.036 -0.577 1.00 0.00 N ATOM 452 CA ALA A 32 -4.432 2.091 -1.060 1.00 0.00 C ATOM 453 C ALA A 32 -4.629 3.155 0.024 1.00 0.00 C ATOM 454 O ALA A 32 -4.035 3.087 1.082 1.00 0.00 O ATOM 455 CB ALA A 32 -5.742 1.354 -1.341 1.00 0.00 C ATOM 0 H ALA A 32 -3.614 0.761 0.398 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.061 2.607 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.488 2.062 -1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.573 0.588 -2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.100 0.885 -0.424 1.00 0.00 H new ATOM 461 N VAL A 33 -5.457 4.138 -0.229 1.00 0.00 N ATOM 462 CA VAL A 33 -5.690 5.209 0.794 1.00 0.00 C ATOM 463 C VAL A 33 -6.335 4.609 2.052 1.00 0.00 C ATOM 464 O VAL A 33 -6.956 3.564 1.998 1.00 0.00 O ATOM 465 CB VAL A 33 -6.641 6.219 0.131 1.00 0.00 C ATOM 466 CG1 VAL A 33 -6.777 7.451 1.027 1.00 0.00 C ATOM 467 CG2 VAL A 33 -6.088 6.652 -1.232 1.00 0.00 C ATOM 0 H VAL A 33 -5.982 4.247 -1.097 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.758 5.682 1.105 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.614 5.748 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.451 8.169 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.179 7.154 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.798 7.910 1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.771 7.367 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.112 7.117 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.988 5.780 -1.878 1.00 0.00 H new ATOM 477 N GLU A 34 -6.185 5.264 3.181 1.00 0.00 N ATOM 478 CA GLU A 34 -6.785 4.740 4.452 1.00 0.00 C ATOM 479 C GLU A 34 -8.292 4.509 4.272 1.00 0.00 C ATOM 480 O GLU A 34 -9.079 5.437 4.292 1.00 0.00 O ATOM 481 CB GLU A 34 -6.536 5.835 5.497 1.00 0.00 C ATOM 482 CG GLU A 34 -5.141 5.665 6.113 1.00 0.00 C ATOM 483 CD GLU A 34 -5.118 4.428 7.018 1.00 0.00 C ATOM 484 OE1 GLU A 34 -5.901 4.385 7.956 1.00 0.00 O ATOM 485 OE2 GLU A 34 -4.316 3.545 6.760 1.00 0.00 O ATOM 0 H GLU A 34 -5.672 6.140 3.277 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.347 3.787 4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.620 6.818 5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.296 5.784 6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.396 5.563 5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.877 6.552 6.688 1.00 0.00 H new ATOM 492 N ALA A 35 -8.695 3.275 4.088 1.00 0.00 N ATOM 493 CA ALA A 35 -10.147 2.976 3.896 1.00 0.00 C ATOM 494 C ALA A 35 -10.430 1.491 4.163 1.00 0.00 C ATOM 495 O ALA A 35 -9.589 0.647 3.914 1.00 0.00 O ATOM 496 CB ALA A 35 -10.428 3.314 2.431 1.00 0.00 C ATOM 0 H ALA A 35 -8.080 2.462 4.063 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.776 3.546 4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.477 3.121 2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.206 4.366 2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.801 2.696 1.788 1.00 0.00 H new ATOM 502 N PRO A 36 -11.616 1.221 4.659 1.00 0.00 N ATOM 503 CA PRO A 36 -12.019 -0.180 4.958 1.00 0.00 C ATOM 504 C PRO A 36 -12.225 -0.973 3.656 1.00 0.00 C ATOM 505 O PRO A 36 -11.386 -1.807 3.361 1.00 0.00 O ATOM 506 CB PRO A 36 -13.333 -0.017 5.727 1.00 0.00 C ATOM 507 CG PRO A 36 -13.870 1.308 5.294 1.00 0.00 C ATOM 508 CD PRO A 36 -12.680 2.178 4.988 1.00 0.00 C ATOM 0 HA PRO A 36 -11.270 -0.733 5.524 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.030 -0.821 5.493 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.166 -0.043 6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.506 1.199 4.416 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.483 1.752 6.078 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.882 2.852 4.156 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.409 2.798 5.842 1.00 0.00 H new TER 516 PRO A 36