USER MOD reduce.3.24.130724 H: found=0, std=0, add=243, rem=0, adj=4 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+ 180:sc= 0 (180deg=0) 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 -153:sc= 1.43 USER MOD Single : A 26 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.0191) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 8.866 6.409 -9.517 1.00 0.00 N ATOM 2 CA ASP A 1 9.533 7.741 -9.405 1.00 0.00 C ATOM 3 C ASP A 1 9.581 8.188 -7.936 1.00 0.00 C ATOM 4 O ASP A 1 8.636 8.751 -7.417 1.00 0.00 O ATOM 5 CB ASP A 1 8.667 8.697 -10.236 1.00 0.00 C ATOM 6 CG ASP A 1 9.390 10.036 -10.400 1.00 0.00 C ATOM 7 OD1 ASP A 1 10.253 10.123 -11.259 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.070 10.954 -9.660 1.00 0.00 O ATOM 0 H1 ASP A 1 8.839 6.117 -10.515 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.398 5.707 -8.965 1.00 0.00 H new ATOM 0 H3 ASP A 1 7.895 6.475 -9.149 1.00 0.00 H new ATOM 0 HA ASP A 1 10.563 7.717 -9.762 1.00 0.00 H new ATOM 0 HB2 ASP A 1 8.462 8.261 -11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 1 7.705 8.850 -9.747 1.00 0.00 H new ATOM 15 N GLY A 2 10.680 7.936 -7.269 1.00 0.00 N ATOM 16 CA GLY A 2 10.804 8.337 -5.836 1.00 0.00 C ATOM 17 C GLY A 2 10.888 7.084 -4.957 1.00 0.00 C ATOM 18 O GLY A 2 11.564 6.127 -5.288 1.00 0.00 O ATOM 0 H GLY A 2 11.499 7.468 -7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 2 11.693 8.952 -5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 2 9.947 8.943 -5.542 1.00 0.00 H new ATOM 22 N GLU A 3 10.204 7.085 -3.838 1.00 0.00 N ATOM 23 CA GLU A 3 10.234 5.899 -2.925 1.00 0.00 C ATOM 24 C GLU A 3 8.867 5.714 -2.250 1.00 0.00 C ATOM 25 O GLU A 3 8.765 5.582 -1.043 1.00 0.00 O ATOM 26 CB GLU A 3 11.330 6.209 -1.896 1.00 0.00 C ATOM 27 CG GLU A 3 11.012 7.517 -1.156 1.00 0.00 C ATOM 28 CD GLU A 3 12.285 8.052 -0.495 1.00 0.00 C ATOM 29 OE1 GLU A 3 13.005 8.790 -1.150 1.00 0.00 O ATOM 30 OE2 GLU A 3 12.519 7.714 0.654 1.00 0.00 O ATOM 0 H GLU A 3 9.624 7.860 -3.517 1.00 0.00 H new ATOM 0 HA GLU A 3 10.442 4.970 -3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.410 5.389 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.295 6.291 -2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.614 8.254 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.244 7.344 -0.403 1.00 0.00 H new ATOM 37 N CYS A 4 7.815 5.698 -3.029 1.00 0.00 N ATOM 38 CA CYS A 4 6.446 5.522 -2.458 1.00 0.00 C ATOM 39 C CYS A 4 5.549 4.784 -3.464 1.00 0.00 C ATOM 40 O CYS A 4 5.785 4.816 -4.658 1.00 0.00 O ATOM 41 CB CYS A 4 5.946 6.950 -2.185 1.00 0.00 C ATOM 42 SG CYS A 4 4.558 7.368 -3.275 1.00 0.00 S ATOM 0 H CYS A 4 7.847 5.800 -4.043 1.00 0.00 H new ATOM 0 HA CYS A 4 6.438 4.922 -1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.636 7.038 -1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.759 7.660 -2.336 1.00 0.00 H new ATOM 47 N GLY A 5 4.529 4.113 -2.987 1.00 0.00 N ATOM 48 CA GLY A 5 3.618 3.366 -3.902 1.00 0.00 C ATOM 49 C GLY A 5 2.633 4.332 -4.571 1.00 0.00 C ATOM 50 O GLY A 5 2.978 5.448 -4.913 1.00 0.00 O ATOM 0 H GLY A 5 4.289 4.052 -1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.201 2.845 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.071 2.607 -3.343 1.00 0.00 H new ATOM 54 N GLY A 6 1.410 3.908 -4.763 1.00 0.00 N ATOM 55 CA GLY A 6 0.397 4.794 -5.411 1.00 0.00 C ATOM 56 C GLY A 6 -0.970 4.581 -4.755 1.00 0.00 C ATOM 57 O GLY A 6 -1.065 4.231 -3.594 1.00 0.00 O ATOM 0 H GLY A 6 1.069 2.984 -4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.698 5.837 -5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.337 4.575 -6.477 1.00 0.00 H new ATOM 61 N PHE A 7 -2.032 4.792 -5.492 1.00 0.00 N ATOM 62 CA PHE A 7 -3.402 4.610 -4.918 1.00 0.00 C ATOM 63 C PHE A 7 -3.766 3.121 -4.820 1.00 0.00 C ATOM 64 O PHE A 7 -4.529 2.724 -3.962 1.00 0.00 O ATOM 65 CB PHE A 7 -4.343 5.326 -5.893 1.00 0.00 C ATOM 66 CG PHE A 7 -5.738 5.370 -5.311 1.00 0.00 C ATOM 67 CD1 PHE A 7 -6.109 6.420 -4.463 1.00 0.00 C ATOM 68 CD2 PHE A 7 -6.656 4.358 -5.616 1.00 0.00 C ATOM 69 CE1 PHE A 7 -7.399 6.458 -3.921 1.00 0.00 C ATOM 70 CE2 PHE A 7 -7.946 4.397 -5.073 1.00 0.00 C ATOM 71 CZ PHE A 7 -8.317 5.447 -4.225 1.00 0.00 C ATOM 0 H PHE A 7 -2.010 5.083 -6.469 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.470 5.012 -3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.985 6.338 -6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.354 4.807 -6.851 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.400 7.200 -4.227 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.369 3.548 -6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.686 7.269 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.655 3.617 -5.308 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.312 5.477 -3.805 1.00 0.00 H new ATOM 81 N TRP A 8 -3.236 2.301 -5.691 1.00 0.00 N ATOM 82 CA TRP A 8 -3.562 0.843 -5.641 1.00 0.00 C ATOM 83 C TRP A 8 -2.418 0.022 -6.252 1.00 0.00 C ATOM 84 O TRP A 8 -2.549 -0.555 -7.317 1.00 0.00 O ATOM 85 CB TRP A 8 -4.847 0.700 -6.463 1.00 0.00 C ATOM 86 CG TRP A 8 -5.669 -0.428 -5.921 1.00 0.00 C ATOM 87 CD1 TRP A 8 -6.485 -0.350 -4.842 1.00 0.00 C ATOM 88 CD2 TRP A 8 -5.770 -1.796 -6.411 1.00 0.00 C ATOM 89 NE1 TRP A 8 -7.076 -1.584 -4.641 1.00 0.00 N ATOM 90 CE2 TRP A 8 -6.668 -2.509 -5.581 1.00 0.00 C ATOM 91 CE3 TRP A 8 -5.173 -2.483 -7.485 1.00 0.00 C ATOM 92 CZ2 TRP A 8 -6.964 -3.852 -5.810 1.00 0.00 C ATOM 93 CZ3 TRP A 8 -5.468 -3.836 -7.716 1.00 0.00 C ATOM 94 CH2 TRP A 8 -6.363 -4.518 -6.880 1.00 0.00 C ATOM 0 H TRP A 8 -2.593 2.577 -6.433 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.693 0.478 -4.622 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.418 1.628 -6.428 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.603 0.515 -7.509 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -6.647 0.531 -4.238 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -7.734 -1.786 -3.889 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.483 -1.966 -8.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -7.654 -4.374 -5.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.003 -4.354 -8.542 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -6.588 -5.558 -7.063 1.00 0.00 H new ATOM 105 N TRP A 9 -1.296 -0.033 -5.577 1.00 0.00 N ATOM 106 CA TRP A 9 -0.132 -0.817 -6.106 1.00 0.00 C ATOM 107 C TRP A 9 -0.084 -2.191 -5.429 1.00 0.00 C ATOM 108 O TRP A 9 -0.869 -2.479 -4.548 1.00 0.00 O ATOM 109 CB TRP A 9 1.112 0.008 -5.745 1.00 0.00 C ATOM 110 CG TRP A 9 1.211 1.220 -6.624 1.00 0.00 C ATOM 111 CD1 TRP A 9 0.168 1.850 -7.218 1.00 0.00 C ATOM 112 CD2 TRP A 9 2.404 1.965 -7.006 1.00 0.00 C ATOM 113 NE1 TRP A 9 0.647 2.930 -7.934 1.00 0.00 N ATOM 114 CE2 TRP A 9 2.016 3.043 -7.832 1.00 0.00 C ATOM 115 CE3 TRP A 9 3.772 1.810 -6.717 1.00 0.00 C ATOM 116 CZ2 TRP A 9 2.946 3.938 -8.352 1.00 0.00 C ATOM 117 CZ3 TRP A 9 4.715 2.711 -7.241 1.00 0.00 C ATOM 118 CH2 TRP A 9 4.301 3.774 -8.055 1.00 0.00 C ATOM 0 H TRP A 9 -1.134 0.430 -4.683 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.200 -0.987 -7.180 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.063 0.313 -4.700 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.007 -0.604 -5.857 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -0.868 1.556 -7.144 1.00 0.00 H new ATOM 0 HE1 TRP A 9 0.059 3.566 -8.472 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.099 0.994 -6.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.622 4.754 -8.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.763 2.584 -7.015 1.00 0.00 H new ATOM 0 HH2 TRP A 9 5.029 4.466 -8.452 1.00 0.00 H new ATOM 129 N LYS A 10 0.827 -3.042 -5.829 1.00 0.00 N ATOM 130 CA LYS A 10 0.910 -4.394 -5.193 1.00 0.00 C ATOM 131 C LYS A 10 1.846 -4.358 -3.986 1.00 0.00 C ATOM 132 O LYS A 10 2.895 -3.741 -4.021 1.00 0.00 O ATOM 133 CB LYS A 10 1.482 -5.323 -6.264 1.00 0.00 C ATOM 134 CG LYS A 10 0.346 -6.111 -6.923 1.00 0.00 C ATOM 135 CD LYS A 10 -0.244 -5.302 -8.081 1.00 0.00 C ATOM 136 CE LYS A 10 -0.029 -6.057 -9.399 1.00 0.00 C ATOM 137 NZ LYS A 10 1.387 -5.773 -9.782 1.00 0.00 N ATOM 0 H LYS A 10 1.512 -2.862 -6.563 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.066 -4.729 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.018 -4.742 -7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.202 -6.009 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.719 -7.067 -7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.429 -6.331 -6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.308 -5.135 -7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.229 -4.321 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.197 -7.127 -9.273 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.722 -5.714 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.609 -6.257 -10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.515 -4.748 -9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.024 -6.116 -9.035 1.00 0.00 H new ATOM 151 N CYS A 11 1.477 -5.019 -2.921 1.00 0.00 N ATOM 152 CA CYS A 11 2.346 -5.029 -1.711 1.00 0.00 C ATOM 153 C CYS A 11 2.151 -6.328 -0.923 1.00 0.00 C ATOM 154 O CYS A 11 1.159 -7.019 -1.079 1.00 0.00 O ATOM 155 CB CYS A 11 1.887 -3.821 -0.892 1.00 0.00 C ATOM 156 SG CYS A 11 2.719 -3.804 0.714 1.00 0.00 S ATOM 0 H CYS A 11 0.611 -5.552 -2.838 1.00 0.00 H new ATOM 0 HA CYS A 11 3.406 -4.975 -1.960 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.106 -2.901 -1.433 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.807 -3.858 -0.750 1.00 0.00 H new ATOM 161 N GLY A 12 3.088 -6.659 -0.073 1.00 0.00 N ATOM 162 CA GLY A 12 2.965 -7.906 0.737 1.00 0.00 C ATOM 163 C GLY A 12 2.559 -7.547 2.167 1.00 0.00 C ATOM 164 O GLY A 12 1.534 -6.933 2.392 1.00 0.00 O ATOM 0 H GLY A 12 3.936 -6.117 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.223 -8.569 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.913 -8.445 0.741 1.00 0.00 H new ATOM 168 N ARG A 13 3.357 -7.921 3.137 1.00 0.00 N ATOM 169 CA ARG A 13 3.022 -7.594 4.560 1.00 0.00 C ATOM 170 C ARG A 13 3.640 -6.243 4.958 1.00 0.00 C ATOM 171 O ARG A 13 4.096 -6.061 6.072 1.00 0.00 O ATOM 172 CB ARG A 13 3.632 -8.735 5.388 1.00 0.00 C ATOM 173 CG ARG A 13 2.527 -9.456 6.166 1.00 0.00 C ATOM 174 CD ARG A 13 2.324 -8.779 7.527 1.00 0.00 C ATOM 175 NE ARG A 13 2.815 -9.762 8.536 1.00 0.00 N ATOM 176 CZ ARG A 13 2.506 -9.613 9.798 1.00 0.00 C ATOM 177 NH1 ARG A 13 3.273 -8.899 10.577 1.00 0.00 N ATOM 178 NH2 ARG A 13 1.429 -10.180 10.278 1.00 0.00 N ATOM 0 H ARG A 13 4.226 -8.439 3.006 1.00 0.00 H new ATOM 0 HA ARG A 13 1.947 -7.507 4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.147 -9.438 4.733 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.377 -8.339 6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.597 -9.437 5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.793 -10.504 6.307 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.880 -7.843 7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.274 -8.537 7.693 1.00 0.00 H new ATOM 0 HE ARG A 13 3.392 -10.550 8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.112 -8.458 10.201 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.033 -8.782 11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.831 -10.738 9.668 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.187 -10.064 11.262 1.00 0.00 H new ATOM 192 N GLY A 14 3.656 -5.293 4.052 1.00 0.00 N ATOM 193 CA GLY A 14 4.239 -3.956 4.364 1.00 0.00 C ATOM 194 C GLY A 14 5.720 -3.931 3.966 1.00 0.00 C ATOM 195 O GLY A 14 6.529 -3.294 4.613 1.00 0.00 O ATOM 0 H GLY A 14 3.287 -5.391 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.696 -3.178 3.828 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.135 -3.743 5.428 1.00 0.00 H new ATOM 199 N LYS A 15 6.081 -4.614 2.904 1.00 0.00 N ATOM 200 CA LYS A 15 7.513 -4.619 2.465 1.00 0.00 C ATOM 201 C LYS A 15 7.850 -3.306 1.738 1.00 0.00 C ATOM 202 O LYS A 15 8.728 -2.579 2.164 1.00 0.00 O ATOM 203 CB LYS A 15 7.657 -5.829 1.531 1.00 0.00 C ATOM 204 CG LYS A 15 8.797 -6.728 2.021 1.00 0.00 C ATOM 205 CD LYS A 15 8.411 -7.371 3.357 1.00 0.00 C ATOM 206 CE LYS A 15 9.639 -8.049 3.974 1.00 0.00 C ATOM 207 NZ LYS A 15 10.310 -6.986 4.780 1.00 0.00 N ATOM 0 H LYS A 15 5.448 -5.166 2.325 1.00 0.00 H new ATOM 0 HA LYS A 15 8.201 -4.693 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.724 -6.392 1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.858 -5.493 0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.007 -7.501 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.709 -6.143 2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.021 -6.614 4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.617 -8.102 3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.350 -8.894 4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.304 -8.437 3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.160 -7.378 5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.581 -6.198 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.657 -6.641 5.512 1.00 0.00 H new ATOM 221 N PRO A 16 7.134 -3.036 0.667 1.00 0.00 N ATOM 222 CA PRO A 16 7.366 -1.791 -0.108 1.00 0.00 C ATOM 223 C PRO A 16 6.784 -0.585 0.647 1.00 0.00 C ATOM 224 O PRO A 16 5.666 -0.640 1.125 1.00 0.00 O ATOM 225 CB PRO A 16 6.608 -2.033 -1.412 1.00 0.00 C ATOM 226 CG PRO A 16 5.549 -3.032 -1.070 1.00 0.00 C ATOM 227 CD PRO A 16 6.061 -3.852 0.087 1.00 0.00 C ATOM 0 HA PRO A 16 8.422 -1.574 -0.271 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.170 -1.109 -1.790 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.272 -2.413 -2.189 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.619 -2.530 -0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.332 -3.670 -1.927 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.273 -4.048 0.815 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.434 -4.820 -0.247 1.00 0.00 H new ATOM 235 N PRO A 17 7.567 0.467 0.733 1.00 0.00 N ATOM 236 CA PRO A 17 7.117 1.691 1.444 1.00 0.00 C ATOM 237 C PRO A 17 6.037 2.419 0.634 1.00 0.00 C ATOM 238 O PRO A 17 6.322 3.067 -0.357 1.00 0.00 O ATOM 239 CB PRO A 17 8.388 2.532 1.550 1.00 0.00 C ATOM 240 CG PRO A 17 9.255 2.064 0.425 1.00 0.00 C ATOM 241 CD PRO A 17 8.923 0.614 0.188 1.00 0.00 C ATOM 0 HA PRO A 17 6.670 1.482 2.416 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.166 3.596 1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.878 2.387 2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.073 2.653 -0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.309 2.182 0.675 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.956 0.365 -0.873 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.630 -0.045 0.692 1.00 0.00 H new ATOM 249 N CYS A 18 4.799 2.319 1.052 1.00 0.00 N ATOM 250 CA CYS A 18 3.695 3.006 0.313 1.00 0.00 C ATOM 251 C CYS A 18 3.776 4.520 0.551 1.00 0.00 C ATOM 252 O CYS A 18 4.480 4.981 1.430 1.00 0.00 O ATOM 253 CB CYS A 18 2.397 2.432 0.891 1.00 0.00 C ATOM 254 SG CYS A 18 2.247 0.689 0.431 1.00 0.00 S ATOM 0 H CYS A 18 4.505 1.791 1.874 1.00 0.00 H new ATOM 0 HA CYS A 18 3.754 2.846 -0.764 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.394 2.534 1.976 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.541 2.993 0.516 1.00 0.00 H new ATOM 259 N CYS A 19 3.065 5.297 -0.228 1.00 0.00 N ATOM 260 CA CYS A 19 3.108 6.784 -0.049 1.00 0.00 C ATOM 261 C CYS A 19 2.456 7.182 1.283 1.00 0.00 C ATOM 262 O CYS A 19 1.644 6.457 1.827 1.00 0.00 O ATOM 263 CB CYS A 19 2.326 7.360 -1.232 1.00 0.00 C ATOM 264 SG CYS A 19 3.368 8.534 -2.132 1.00 0.00 S ATOM 0 H CYS A 19 2.458 4.968 -0.979 1.00 0.00 H new ATOM 0 HA CYS A 19 4.130 7.162 -0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.008 6.557 -1.896 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.423 7.857 -0.877 1.00 0.00 H new ATOM 269 N LYS A 20 2.823 8.325 1.813 1.00 0.00 N ATOM 270 CA LYS A 20 2.250 8.783 3.116 1.00 0.00 C ATOM 271 C LYS A 20 0.714 8.767 3.082 1.00 0.00 C ATOM 272 O LYS A 20 0.098 9.312 2.184 1.00 0.00 O ATOM 273 CB LYS A 20 2.765 10.215 3.301 1.00 0.00 C ATOM 274 CG LYS A 20 3.367 10.365 4.700 1.00 0.00 C ATOM 275 CD LYS A 20 4.366 11.524 4.710 1.00 0.00 C ATOM 276 CE LYS A 20 5.128 11.531 6.039 1.00 0.00 C ATOM 277 NZ LYS A 20 4.383 12.484 6.911 1.00 0.00 N ATOM 0 H LYS A 20 3.500 8.963 1.395 1.00 0.00 H new ATOM 0 HA LYS A 20 2.547 8.128 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.516 10.443 2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.950 10.926 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.577 10.547 5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.865 9.441 4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.064 11.423 3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.843 12.470 4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.159 10.535 6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.161 11.850 5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.848 12.541 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.376 13.426 6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.405 12.151 7.033 1.00 0.00 H new ATOM 291 N GLY A 21 0.098 8.144 4.059 1.00 0.00 N ATOM 292 CA GLY A 21 -1.396 8.087 4.100 1.00 0.00 C ATOM 293 C GLY A 21 -1.899 6.756 3.522 1.00 0.00 C ATOM 294 O GLY A 21 -3.015 6.349 3.783 1.00 0.00 O ATOM 0 H GLY A 21 0.568 7.672 4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.742 8.198 5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.813 8.918 3.532 1.00 0.00 H new ATOM 298 N TYR A 22 -1.094 6.077 2.736 1.00 0.00 N ATOM 299 CA TYR A 22 -1.541 4.778 2.139 1.00 0.00 C ATOM 300 C TYR A 22 -1.186 3.614 3.071 1.00 0.00 C ATOM 301 O TYR A 22 -0.221 3.669 3.810 1.00 0.00 O ATOM 302 CB TYR A 22 -0.777 4.647 0.813 1.00 0.00 C ATOM 303 CG TYR A 22 -1.112 5.795 -0.126 1.00 0.00 C ATOM 304 CD1 TYR A 22 -2.136 6.706 0.183 1.00 0.00 C ATOM 305 CD2 TYR A 22 -0.389 5.943 -1.316 1.00 0.00 C ATOM 306 CE1 TYR A 22 -2.429 7.756 -0.694 1.00 0.00 C ATOM 307 CE2 TYR A 22 -0.685 6.993 -2.193 1.00 0.00 C ATOM 308 CZ TYR A 22 -1.704 7.900 -1.883 1.00 0.00 C ATOM 309 OH TYR A 22 -1.995 8.933 -2.748 1.00 0.00 O ATOM 0 H TYR A 22 -0.149 6.367 2.483 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.620 4.754 1.988 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.295 4.633 1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.027 3.699 0.337 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.698 6.596 1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.399 5.245 -1.558 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.215 8.456 -0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.126 7.103 -3.110 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.398 8.888 -3.524 1.00 0.00 H new ATOM 319 N ALA A 23 -1.961 2.560 3.030 1.00 0.00 N ATOM 320 CA ALA A 23 -1.685 1.377 3.897 1.00 0.00 C ATOM 321 C ALA A 23 -1.582 0.112 3.035 1.00 0.00 C ATOM 322 O ALA A 23 -2.303 -0.047 2.068 1.00 0.00 O ATOM 323 CB ALA A 23 -2.886 1.289 4.841 1.00 0.00 C ATOM 0 H ALA A 23 -2.779 2.469 2.428 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.747 1.470 4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.759 0.441 5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.958 2.207 5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.798 1.157 4.258 1.00 0.00 H new ATOM 329 N CYS A 24 -0.688 -0.781 3.374 1.00 0.00 N ATOM 330 CA CYS A 24 -0.529 -2.034 2.568 1.00 0.00 C ATOM 331 C CYS A 24 -1.453 -3.135 3.095 1.00 0.00 C ATOM 332 O CYS A 24 -1.908 -3.096 4.224 1.00 0.00 O ATOM 333 CB CYS A 24 0.940 -2.432 2.739 1.00 0.00 C ATOM 334 SG CYS A 24 1.219 -4.075 2.036 1.00 0.00 S ATOM 0 H CYS A 24 -0.060 -0.699 4.174 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.792 -1.884 1.521 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.583 -1.702 2.247 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.206 -2.429 3.796 1.00 0.00 H new ATOM 339 N SER A 25 -1.730 -4.118 2.277 1.00 0.00 N ATOM 340 CA SER A 25 -2.626 -5.233 2.708 1.00 0.00 C ATOM 341 C SER A 25 -2.079 -6.577 2.220 1.00 0.00 C ATOM 342 O SER A 25 -2.147 -6.894 1.047 1.00 0.00 O ATOM 343 CB SER A 25 -3.977 -4.939 2.054 1.00 0.00 C ATOM 344 OG SER A 25 -4.453 -3.671 2.493 1.00 0.00 O ATOM 0 H SER A 25 -1.372 -4.197 1.325 1.00 0.00 H new ATOM 0 HA SER A 25 -2.703 -5.297 3.793 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.876 -4.945 0.969 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.695 -5.718 2.312 1.00 0.00 H new ATOM 0 HG SER A 25 -5.432 -3.658 2.453 1.00 0.00 H new ATOM 350 N LYS A 26 -1.541 -7.373 3.112 1.00 0.00 N ATOM 351 CA LYS A 26 -1.001 -8.708 2.698 1.00 0.00 C ATOM 352 C LYS A 26 -2.152 -9.674 2.386 1.00 0.00 C ATOM 353 O LYS A 26 -2.048 -10.511 1.510 1.00 0.00 O ATOM 354 CB LYS A 26 -0.166 -9.212 3.883 1.00 0.00 C ATOM 355 CG LYS A 26 -1.024 -9.320 5.149 1.00 0.00 C ATOM 356 CD LYS A 26 -1.373 -10.787 5.409 1.00 0.00 C ATOM 357 CE LYS A 26 -2.034 -10.920 6.784 1.00 0.00 C ATOM 358 NZ LYS A 26 -0.907 -11.024 7.754 1.00 0.00 N ATOM 0 H LYS A 26 -1.452 -7.158 4.105 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.396 -8.636 1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.261 -10.186 3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.668 -8.533 4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.485 -8.907 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.936 -8.734 5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.045 -11.155 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.472 -11.399 5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.663 -10.057 7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.674 -11.801 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.179 -10.575 8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.684 -12.026 7.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.070 -10.543 7.367 1.00 0.00 H new ATOM 372 N THR A 27 -3.253 -9.550 3.087 1.00 0.00 N ATOM 373 CA THR A 27 -4.425 -10.447 2.824 1.00 0.00 C ATOM 374 C THR A 27 -5.037 -10.116 1.458 1.00 0.00 C ATOM 375 O THR A 27 -5.479 -10.989 0.738 1.00 0.00 O ATOM 376 CB THR A 27 -5.432 -10.155 3.943 1.00 0.00 C ATOM 377 OG1 THR A 27 -4.768 -10.174 5.200 1.00 0.00 O ATOM 378 CG2 THR A 27 -6.536 -11.220 3.932 1.00 0.00 C ATOM 0 H THR A 27 -3.392 -8.866 3.831 1.00 0.00 H new ATOM 0 HA THR A 27 -4.138 -11.498 2.809 1.00 0.00 H new ATOM 0 HB THR A 27 -5.874 -9.172 3.782 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.413 -9.985 5.913 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.251 -11.011 4.728 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.048 -11.203 2.970 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.094 -12.204 4.090 1.00 0.00 H new ATOM 386 N TRP A 28 -5.056 -8.856 1.104 1.00 0.00 N ATOM 387 CA TRP A 28 -5.630 -8.448 -0.215 1.00 0.00 C ATOM 388 C TRP A 28 -4.566 -8.603 -1.308 1.00 0.00 C ATOM 389 O TRP A 28 -4.851 -9.048 -2.404 1.00 0.00 O ATOM 390 CB TRP A 28 -6.024 -6.973 -0.049 1.00 0.00 C ATOM 391 CG TRP A 28 -7.027 -6.815 1.058 1.00 0.00 C ATOM 392 CD1 TRP A 28 -7.668 -7.828 1.693 1.00 0.00 C ATOM 393 CD2 TRP A 28 -7.511 -5.584 1.668 1.00 0.00 C ATOM 394 NE1 TRP A 28 -8.508 -7.295 2.652 1.00 0.00 N ATOM 395 CE2 TRP A 28 -8.450 -5.917 2.672 1.00 0.00 C ATOM 396 CE3 TRP A 28 -7.231 -4.225 1.447 1.00 0.00 C ATOM 397 CZ2 TRP A 28 -9.085 -4.934 3.433 1.00 0.00 C ATOM 398 CZ3 TRP A 28 -7.867 -3.233 2.211 1.00 0.00 C ATOM 399 CH2 TRP A 28 -8.795 -3.589 3.201 1.00 0.00 C ATOM 0 H TRP A 28 -4.698 -8.089 1.673 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.485 -9.059 -0.504 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -5.138 -6.377 0.168 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.442 -6.595 -0.982 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.542 -8.880 1.483 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.099 -7.852 3.269 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.521 -3.941 0.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.796 -5.213 4.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.641 -2.192 2.036 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.285 -2.822 3.783 1.00 0.00 H new ATOM 410 N GLY A 29 -3.340 -8.247 -1.008 1.00 0.00 N ATOM 411 CA GLY A 29 -2.242 -8.379 -2.009 1.00 0.00 C ATOM 412 C GLY A 29 -1.890 -7.015 -2.625 1.00 0.00 C ATOM 413 O GLY A 29 -1.220 -6.955 -3.638 1.00 0.00 O ATOM 0 H GLY A 29 -3.054 -7.868 -0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.359 -8.805 -1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.544 -9.070 -2.796 1.00 0.00 H new ATOM 417 N TRP A 30 -2.324 -5.920 -2.037 1.00 0.00 N ATOM 418 CA TRP A 30 -1.984 -4.587 -2.629 1.00 0.00 C ATOM 419 C TRP A 30 -1.922 -3.492 -1.551 1.00 0.00 C ATOM 420 O TRP A 30 -2.183 -3.732 -0.388 1.00 0.00 O ATOM 421 CB TRP A 30 -3.089 -4.305 -3.665 1.00 0.00 C ATOM 422 CG TRP A 30 -4.364 -3.892 -2.997 1.00 0.00 C ATOM 423 CD1 TRP A 30 -4.567 -2.712 -2.367 1.00 0.00 C ATOM 424 CD2 TRP A 30 -5.620 -4.625 -2.904 1.00 0.00 C ATOM 425 NE1 TRP A 30 -5.857 -2.681 -1.881 1.00 0.00 N ATOM 426 CE2 TRP A 30 -6.548 -3.835 -2.188 1.00 0.00 C ATOM 427 CE3 TRP A 30 -6.036 -5.888 -3.361 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -7.847 -4.278 -1.937 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -7.344 -6.337 -3.111 1.00 0.00 C ATOM 430 CH2 TRP A 30 -8.246 -5.534 -2.400 1.00 0.00 C ATOM 0 H TRP A 30 -2.889 -5.893 -1.188 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.997 -4.592 -3.092 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.761 -3.520 -4.346 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.263 -5.197 -4.267 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -3.837 -1.923 -2.262 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.252 -1.900 -1.358 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.347 -6.516 -3.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -8.538 -3.655 -1.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -7.656 -7.307 -3.469 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -9.249 -5.886 -2.210 1.00 0.00 H new ATOM 441 N CYS A 31 -1.587 -2.288 -1.950 1.00 0.00 N ATOM 442 CA CYS A 31 -1.509 -1.150 -0.985 1.00 0.00 C ATOM 443 C CYS A 31 -2.364 0.015 -1.499 1.00 0.00 C ATOM 444 O CYS A 31 -2.210 0.457 -2.624 1.00 0.00 O ATOM 445 CB CYS A 31 -0.030 -0.754 -0.939 1.00 0.00 C ATOM 446 SG CYS A 31 0.257 0.350 0.465 1.00 0.00 S ATOM 0 H CYS A 31 -1.362 -2.045 -2.915 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.879 -1.417 0.005 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.593 -1.644 -0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.254 -0.259 -1.868 1.00 0.00 H new ATOM 451 N ALA A 32 -3.263 0.507 -0.688 1.00 0.00 N ATOM 452 CA ALA A 32 -4.137 1.638 -1.126 1.00 0.00 C ATOM 453 C ALA A 32 -4.329 2.641 0.016 1.00 0.00 C ATOM 454 O ALA A 32 -3.839 2.448 1.111 1.00 0.00 O ATOM 455 CB ALA A 32 -5.470 0.984 -1.497 1.00 0.00 C ATOM 0 H ALA A 32 -3.431 0.174 0.261 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.706 2.192 -1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.171 1.750 -1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.311 0.263 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.879 0.472 -0.626 1.00 0.00 H new ATOM 461 N VAL A 33 -5.041 3.711 -0.235 1.00 0.00 N ATOM 462 CA VAL A 33 -5.269 4.733 0.834 1.00 0.00 C ATOM 463 C VAL A 33 -6.189 4.166 1.921 1.00 0.00 C ATOM 464 O VAL A 33 -7.179 3.518 1.631 1.00 0.00 O ATOM 465 CB VAL A 33 -5.943 5.923 0.138 1.00 0.00 C ATOM 466 CG1 VAL A 33 -6.000 7.110 1.103 1.00 0.00 C ATOM 467 CG2 VAL A 33 -5.145 6.326 -1.109 1.00 0.00 C ATOM 0 H VAL A 33 -5.475 3.922 -1.134 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.336 5.025 1.316 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.952 5.636 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.478 7.957 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.574 6.833 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.988 7.387 1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.632 7.171 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.133 6.608 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.102 5.485 -1.801 1.00 0.00 H new ATOM 477 N GLU A 34 -5.875 4.410 3.170 1.00 0.00 N ATOM 478 CA GLU A 34 -6.736 3.889 4.280 1.00 0.00 C ATOM 479 C GLU A 34 -7.758 4.956 4.706 1.00 0.00 C ATOM 480 O GLU A 34 -7.883 5.282 5.872 1.00 0.00 O ATOM 481 CB GLU A 34 -5.771 3.554 5.428 1.00 0.00 C ATOM 482 CG GLU A 34 -4.981 4.803 5.846 1.00 0.00 C ATOM 483 CD GLU A 34 -4.907 4.878 7.373 1.00 0.00 C ATOM 484 OE1 GLU A 34 -3.977 4.316 7.929 1.00 0.00 O ATOM 485 OE2 GLU A 34 -5.779 5.498 7.960 1.00 0.00 O ATOM 0 H GLU A 34 -5.061 4.947 3.470 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.309 3.012 3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.330 3.168 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.083 2.769 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.976 4.768 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.461 5.698 5.451 1.00 0.00 H new ATOM 492 N ALA A 35 -8.496 5.495 3.766 1.00 0.00 N ATOM 493 CA ALA A 35 -9.517 6.534 4.109 1.00 0.00 C ATOM 494 C ALA A 35 -10.815 5.860 4.569 1.00 0.00 C ATOM 495 O ALA A 35 -11.452 5.161 3.802 1.00 0.00 O ATOM 496 CB ALA A 35 -9.744 7.318 2.813 1.00 0.00 C ATOM 0 H ALA A 35 -8.435 5.260 2.775 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.190 7.185 4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.483 8.100 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.805 7.770 2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.105 6.642 2.038 1.00 0.00 H new ATOM 502 N PRO A 36 -11.166 6.090 5.813 1.00 0.00 N ATOM 503 CA PRO A 36 -12.403 5.488 6.378 1.00 0.00 C ATOM 504 C PRO A 36 -13.653 6.147 5.778 1.00 0.00 C ATOM 505 O PRO A 36 -14.547 5.416 5.385 1.00 0.00 O ATOM 506 CB PRO A 36 -12.292 5.776 7.874 1.00 0.00 C ATOM 507 CG PRO A 36 -11.405 6.975 7.973 1.00 0.00 C ATOM 508 CD PRO A 36 -10.460 6.918 6.802 1.00 0.00 C ATOM 0 HA PRO A 36 -12.497 4.424 6.161 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.271 5.972 8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.868 4.926 8.409 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.993 7.893 7.951 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.855 6.972 8.914 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.249 7.913 6.411 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.504 6.476 7.082 1.00 0.00 H new TER 516 PRO A 36