USER MOD reduce.3.24.130724 H: found=0, std=0, add=243, rem=0, adj=7 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+ -112:sc= 0.0292 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0123) USER MOD Single : A 20 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0118) USER MOD Single : A 22 TYR OH : rot -71:sc= 1.51 USER MOD Single : A 25 SER OG : rot -166:sc= 1.43 USER MOD Single : A 26 LYS NZ :NH3+ -148:sc= 0.285 (180deg=0.0322) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0164 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 7.269 11.794 -3.525 1.00 0.00 N ATOM 2 CA ASP A 1 8.152 11.082 -2.551 1.00 0.00 C ATOM 3 C ASP A 1 9.244 10.297 -3.294 1.00 0.00 C ATOM 4 O ASP A 1 9.065 9.890 -4.428 1.00 0.00 O ATOM 5 CB ASP A 1 7.224 10.126 -1.792 1.00 0.00 C ATOM 6 CG ASP A 1 7.901 9.659 -0.500 1.00 0.00 C ATOM 7 OD1 ASP A 1 8.672 8.714 -0.565 1.00 0.00 O ATOM 8 OD2 ASP A 1 7.635 10.254 0.534 1.00 0.00 O ATOM 0 H1 ASP A 1 7.412 12.820 -3.437 1.00 0.00 H new ATOM 0 H2 ASP A 1 7.505 11.493 -4.492 1.00 0.00 H new ATOM 0 H3 ASP A 1 6.275 11.565 -3.324 1.00 0.00 H new ATOM 0 HA ASP A 1 8.661 11.773 -1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 1 6.284 10.626 -1.560 1.00 0.00 H new ATOM 0 HB3 ASP A 1 6.982 9.267 -2.417 1.00 0.00 H new ATOM 15 N GLY A 2 10.370 10.078 -2.657 1.00 0.00 N ATOM 16 CA GLY A 2 11.476 9.314 -3.315 1.00 0.00 C ATOM 17 C GLY A 2 11.019 7.875 -3.565 1.00 0.00 C ATOM 18 O GLY A 2 11.009 7.404 -4.686 1.00 0.00 O ATOM 0 H GLY A 2 10.570 10.396 -1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 2 11.751 9.789 -4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.364 9.321 -2.683 1.00 0.00 H new ATOM 22 N GLU A 3 10.633 7.178 -2.524 1.00 0.00 N ATOM 23 CA GLU A 3 10.165 5.770 -2.691 1.00 0.00 C ATOM 24 C GLU A 3 8.657 5.693 -2.431 1.00 0.00 C ATOM 25 O GLU A 3 8.208 5.740 -1.300 1.00 0.00 O ATOM 26 CB GLU A 3 10.945 4.961 -1.652 1.00 0.00 C ATOM 27 CG GLU A 3 11.834 3.938 -2.364 1.00 0.00 C ATOM 28 CD GLU A 3 13.105 4.624 -2.870 1.00 0.00 C ATOM 29 OE1 GLU A 3 14.064 4.685 -2.117 1.00 0.00 O ATOM 30 OE2 GLU A 3 13.101 5.078 -4.004 1.00 0.00 O ATOM 0 H GLU A 3 10.623 7.526 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 3 10.334 5.388 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.555 5.626 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.255 4.453 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.093 3.129 -1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.294 3.490 -3.198 1.00 0.00 H new ATOM 37 N CYS A 4 7.871 5.584 -3.474 1.00 0.00 N ATOM 38 CA CYS A 4 6.387 5.516 -3.299 1.00 0.00 C ATOM 39 C CYS A 4 5.764 4.585 -4.349 1.00 0.00 C ATOM 40 O CYS A 4 6.353 4.309 -5.378 1.00 0.00 O ATOM 41 CB CYS A 4 5.905 6.965 -3.480 1.00 0.00 C ATOM 42 SG CYS A 4 4.385 7.016 -4.468 1.00 0.00 S ATOM 0 H CYS A 4 8.194 5.539 -4.441 1.00 0.00 H new ATOM 0 HA CYS A 4 6.099 5.113 -2.328 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.726 7.419 -2.505 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.682 7.554 -3.968 1.00 0.00 H new ATOM 47 N GLY A 5 4.569 4.112 -4.092 1.00 0.00 N ATOM 48 CA GLY A 5 3.887 3.210 -5.059 1.00 0.00 C ATOM 49 C GLY A 5 2.775 3.988 -5.770 1.00 0.00 C ATOM 50 O GLY A 5 3.037 4.896 -6.538 1.00 0.00 O ATOM 0 H GLY A 5 4.037 4.316 -3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.603 2.828 -5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.470 2.348 -4.539 1.00 0.00 H new ATOM 54 N GLY A 6 1.539 3.639 -5.516 1.00 0.00 N ATOM 55 CA GLY A 6 0.400 4.357 -6.166 1.00 0.00 C ATOM 56 C GLY A 6 -0.829 4.307 -5.246 1.00 0.00 C ATOM 57 O GLY A 6 -0.708 4.192 -4.041 1.00 0.00 O ATOM 0 H GLY A 6 1.269 2.885 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.676 5.392 -6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.167 3.898 -7.127 1.00 0.00 H new ATOM 61 N PHE A 7 -2.013 4.389 -5.806 1.00 0.00 N ATOM 62 CA PHE A 7 -3.254 4.344 -4.964 1.00 0.00 C ATOM 63 C PHE A 7 -3.671 2.894 -4.690 1.00 0.00 C ATOM 64 O PHE A 7 -4.196 2.583 -3.640 1.00 0.00 O ATOM 65 CB PHE A 7 -4.328 5.069 -5.784 1.00 0.00 C ATOM 66 CG PHE A 7 -5.103 6.008 -4.888 1.00 0.00 C ATOM 67 CD1 PHE A 7 -4.618 7.298 -4.641 1.00 0.00 C ATOM 68 CD2 PHE A 7 -6.307 5.590 -4.308 1.00 0.00 C ATOM 69 CE1 PHE A 7 -5.336 8.170 -3.813 1.00 0.00 C ATOM 70 CE2 PHE A 7 -7.025 6.461 -3.481 1.00 0.00 C ATOM 71 CZ PHE A 7 -6.540 7.752 -3.233 1.00 0.00 C ATOM 0 H PHE A 7 -2.175 4.485 -6.809 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.100 4.813 -3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.864 5.627 -6.597 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.003 4.344 -6.239 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.690 7.621 -5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.682 4.595 -4.499 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.961 9.165 -3.622 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -7.953 6.138 -3.034 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.094 8.424 -2.595 1.00 0.00 H new ATOM 81 N TRP A 8 -3.439 2.006 -5.625 1.00 0.00 N ATOM 82 CA TRP A 8 -3.815 0.575 -5.418 1.00 0.00 C ATOM 83 C TRP A 8 -2.749 -0.334 -6.048 1.00 0.00 C ATOM 84 O TRP A 8 -2.951 -0.916 -7.099 1.00 0.00 O ATOM 85 CB TRP A 8 -5.174 0.417 -6.116 1.00 0.00 C ATOM 86 CG TRP A 8 -5.685 -0.985 -5.952 1.00 0.00 C ATOM 87 CD1 TRP A 8 -5.344 -1.832 -4.950 1.00 0.00 C ATOM 88 CD2 TRP A 8 -6.623 -1.713 -6.798 1.00 0.00 C ATOM 89 NE1 TRP A 8 -6.010 -3.030 -5.133 1.00 0.00 N ATOM 90 CE2 TRP A 8 -6.811 -3.005 -6.256 1.00 0.00 C ATOM 91 CE3 TRP A 8 -7.323 -1.377 -7.972 1.00 0.00 C ATOM 92 CZ2 TRP A 8 -7.661 -3.934 -6.858 1.00 0.00 C ATOM 93 CZ3 TRP A 8 -8.181 -2.308 -8.579 1.00 0.00 C ATOM 94 CH2 TRP A 8 -8.349 -3.586 -8.022 1.00 0.00 C ATOM 0 H TRP A 8 -3.004 2.212 -6.524 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.879 0.299 -4.365 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.890 1.124 -5.696 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.076 0.654 -7.175 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.664 -1.608 -4.142 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.920 -3.835 -4.513 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -7.199 -0.397 -8.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -7.786 -4.916 -6.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -8.714 -2.040 -9.479 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -9.009 -4.299 -8.493 1.00 0.00 H new ATOM 105 N TRP A 9 -1.613 -0.450 -5.405 1.00 0.00 N ATOM 106 CA TRP A 9 -0.514 -1.313 -5.949 1.00 0.00 C ATOM 107 C TRP A 9 -0.443 -2.618 -5.144 1.00 0.00 C ATOM 108 O TRP A 9 -1.024 -2.725 -4.087 1.00 0.00 O ATOM 109 CB TRP A 9 0.768 -0.488 -5.757 1.00 0.00 C ATOM 110 CG TRP A 9 0.875 0.565 -6.819 1.00 0.00 C ATOM 111 CD1 TRP A 9 -0.170 1.189 -7.418 1.00 0.00 C ATOM 112 CD2 TRP A 9 2.078 1.135 -7.408 1.00 0.00 C ATOM 113 NE1 TRP A 9 0.320 2.103 -8.330 1.00 0.00 N ATOM 114 CE2 TRP A 9 1.697 2.109 -8.359 1.00 0.00 C ATOM 115 CE3 TRP A 9 3.451 0.907 -7.208 1.00 0.00 C ATOM 116 CZ2 TRP A 9 2.640 2.833 -9.084 1.00 0.00 C ATOM 117 CZ3 TRP A 9 4.405 1.633 -7.940 1.00 0.00 C ATOM 118 CH2 TRP A 9 3.999 2.595 -8.874 1.00 0.00 C ATOM 0 H TRP A 9 -1.397 0.017 -4.524 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.666 -1.584 -6.994 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.764 -0.021 -4.772 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.639 -1.143 -5.796 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -1.214 1.002 -7.215 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.267 2.701 -8.912 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.774 0.170 -6.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.322 3.573 -9.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.457 1.449 -7.782 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.737 3.152 -9.431 1.00 0.00 H new ATOM 129 N LYS A 10 0.259 -3.610 -5.631 1.00 0.00 N ATOM 130 CA LYS A 10 0.346 -4.898 -4.868 1.00 0.00 C ATOM 131 C LYS A 10 1.545 -4.881 -3.921 1.00 0.00 C ATOM 132 O LYS A 10 2.628 -4.458 -4.284 1.00 0.00 O ATOM 133 CB LYS A 10 0.528 -5.994 -5.915 1.00 0.00 C ATOM 134 CG LYS A 10 -0.827 -6.631 -6.234 1.00 0.00 C ATOM 135 CD LYS A 10 -1.422 -5.977 -7.485 1.00 0.00 C ATOM 136 CE LYS A 10 -1.954 -7.063 -8.428 1.00 0.00 C ATOM 137 NZ LYS A 10 -1.711 -6.536 -9.801 1.00 0.00 N ATOM 0 H LYS A 10 0.771 -3.588 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.546 -5.058 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.967 -5.576 -6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.219 -6.752 -5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.708 -7.703 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.505 -6.508 -5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.227 -5.298 -7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.664 -5.380 -7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.437 -8.009 -8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.015 -7.248 -8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.050 -7.225 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.221 -5.638 -9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.692 -6.376 -9.936 1.00 0.00 H new ATOM 151 N CYS A 11 1.361 -5.347 -2.713 1.00 0.00 N ATOM 152 CA CYS A 11 2.493 -5.370 -1.743 1.00 0.00 C ATOM 153 C CYS A 11 2.328 -6.526 -0.741 1.00 0.00 C ATOM 154 O CYS A 11 1.305 -7.187 -0.706 1.00 0.00 O ATOM 155 CB CYS A 11 2.435 -4.013 -1.035 1.00 0.00 C ATOM 156 SG CYS A 11 0.948 -3.913 -0.009 1.00 0.00 S ATOM 0 H CYS A 11 0.477 -5.712 -2.358 1.00 0.00 H new ATOM 0 HA CYS A 11 3.453 -5.529 -2.234 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.323 -3.878 -0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.433 -3.209 -1.771 1.00 0.00 H new ATOM 161 N GLY A 12 3.330 -6.774 0.071 1.00 0.00 N ATOM 162 CA GLY A 12 3.242 -7.884 1.071 1.00 0.00 C ATOM 163 C GLY A 12 2.710 -7.344 2.401 1.00 0.00 C ATOM 164 O GLY A 12 1.643 -6.763 2.461 1.00 0.00 O ATOM 0 H GLY A 12 4.207 -6.253 0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.585 -8.670 0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.225 -8.333 1.217 1.00 0.00 H new ATOM 168 N ARG A 13 3.451 -7.527 3.470 1.00 0.00 N ATOM 169 CA ARG A 13 2.995 -7.018 4.804 1.00 0.00 C ATOM 170 C ARG A 13 3.524 -5.592 5.045 1.00 0.00 C ATOM 171 O ARG A 13 3.675 -5.163 6.174 1.00 0.00 O ATOM 172 CB ARG A 13 3.587 -7.994 5.830 1.00 0.00 C ATOM 173 CG ARG A 13 2.507 -8.411 6.833 1.00 0.00 C ATOM 174 CD ARG A 13 2.582 -7.520 8.079 1.00 0.00 C ATOM 175 NE ARG A 13 1.969 -8.328 9.174 1.00 0.00 N ATOM 176 CZ ARG A 13 1.405 -7.731 10.192 1.00 0.00 C ATOM 177 NH1 ARG A 13 0.171 -7.308 10.100 1.00 0.00 N ATOM 178 NH2 ARG A 13 2.075 -7.561 11.303 1.00 0.00 N ATOM 0 H ARG A 13 4.351 -8.007 3.476 1.00 0.00 H new ATOM 0 HA ARG A 13 1.908 -6.966 4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.984 -8.873 5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.420 -7.525 6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.521 -8.329 6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.642 -9.456 7.113 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.613 -7.257 8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.041 -6.586 7.928 1.00 0.00 H new ATOM 0 HE ARG A 13 1.990 -9.347 9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.351 -7.444 9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.269 -6.842 10.894 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.036 -7.894 11.375 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.636 -7.096 12.097 1.00 0.00 H new ATOM 192 N GLY A 14 3.810 -4.858 3.993 1.00 0.00 N ATOM 193 CA GLY A 14 4.332 -3.468 4.158 1.00 0.00 C ATOM 194 C GLY A 14 5.812 -3.425 3.765 1.00 0.00 C ATOM 195 O GLY A 14 6.602 -2.728 4.376 1.00 0.00 O ATOM 0 H GLY A 14 3.703 -5.166 3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.760 -2.778 3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.210 -3.143 5.191 1.00 0.00 H new ATOM 199 N LYS A 15 6.195 -4.165 2.751 1.00 0.00 N ATOM 200 CA LYS A 15 7.628 -4.171 2.317 1.00 0.00 C ATOM 201 C LYS A 15 7.935 -2.969 1.405 1.00 0.00 C ATOM 202 O LYS A 15 8.821 -2.191 1.699 1.00 0.00 O ATOM 203 CB LYS A 15 7.823 -5.493 1.566 1.00 0.00 C ATOM 204 CG LYS A 15 8.625 -6.465 2.437 1.00 0.00 C ATOM 205 CD LYS A 15 9.011 -7.697 1.614 1.00 0.00 C ATOM 206 CE LYS A 15 8.163 -8.896 2.052 1.00 0.00 C ATOM 207 NZ LYS A 15 7.003 -8.917 1.116 1.00 0.00 N ATOM 0 H LYS A 15 5.576 -4.765 2.205 1.00 0.00 H new ATOM 0 HA LYS A 15 8.305 -4.088 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.855 -5.927 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.345 -5.315 0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.521 -5.974 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.035 -6.765 3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.859 -7.500 0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.070 -7.919 1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.733 -9.823 1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.833 -8.789 3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.405 -9.742 1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.446 -8.047 1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.348 -8.977 0.137 1.00 0.00 H new ATOM 221 N PRO A 16 7.198 -2.856 0.322 1.00 0.00 N ATOM 222 CA PRO A 16 7.411 -1.738 -0.634 1.00 0.00 C ATOM 223 C PRO A 16 6.873 -0.422 -0.052 1.00 0.00 C ATOM 224 O PRO A 16 5.756 -0.370 0.427 1.00 0.00 O ATOM 225 CB PRO A 16 6.610 -2.157 -1.863 1.00 0.00 C ATOM 226 CG PRO A 16 5.557 -3.086 -1.345 1.00 0.00 C ATOM 227 CD PRO A 16 6.113 -3.746 -0.108 1.00 0.00 C ATOM 0 HA PRO A 16 8.463 -1.562 -0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.165 -1.293 -2.357 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.245 -2.652 -2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.643 -2.540 -1.112 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.299 -3.832 -2.096 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.351 -3.847 0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.483 -4.748 -0.324 1.00 0.00 H new ATOM 235 N PRO A 17 7.693 0.605 -0.109 1.00 0.00 N ATOM 236 CA PRO A 17 7.290 1.933 0.424 1.00 0.00 C ATOM 237 C PRO A 17 6.262 2.606 -0.498 1.00 0.00 C ATOM 238 O PRO A 17 6.564 2.978 -1.616 1.00 0.00 O ATOM 239 CB PRO A 17 8.597 2.720 0.456 1.00 0.00 C ATOM 240 CG PRO A 17 9.472 2.072 -0.570 1.00 0.00 C ATOM 241 CD PRO A 17 9.054 0.627 -0.666 1.00 0.00 C ATOM 0 HA PRO A 17 6.812 1.870 1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.429 3.771 0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.055 2.682 1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.365 2.568 -1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.521 2.151 -0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.067 0.277 -1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.725 -0.020 -0.101 1.00 0.00 H new ATOM 249 N CYS A 18 5.049 2.765 -0.024 1.00 0.00 N ATOM 250 CA CYS A 18 3.987 3.416 -0.849 1.00 0.00 C ATOM 251 C CYS A 18 4.062 4.943 -0.702 1.00 0.00 C ATOM 252 O CYS A 18 4.907 5.469 -0.003 1.00 0.00 O ATOM 253 CB CYS A 18 2.663 2.895 -0.283 1.00 0.00 C ATOM 254 SG CYS A 18 2.546 1.110 -0.547 1.00 0.00 S ATOM 0 H CYS A 18 4.749 2.469 0.905 1.00 0.00 H new ATOM 0 HA CYS A 18 4.096 3.189 -1.909 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.598 3.120 0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.826 3.399 -0.767 1.00 0.00 H new ATOM 259 N CYS A 19 3.176 5.659 -1.354 1.00 0.00 N ATOM 260 CA CYS A 19 3.188 7.151 -1.250 1.00 0.00 C ATOM 261 C CYS A 19 2.628 7.592 0.108 1.00 0.00 C ATOM 262 O CYS A 19 1.819 6.906 0.707 1.00 0.00 O ATOM 263 CB CYS A 19 2.289 7.646 -2.387 1.00 0.00 C ATOM 264 SG CYS A 19 3.297 8.494 -3.627 1.00 0.00 S ATOM 0 H CYS A 19 2.446 5.273 -1.953 1.00 0.00 H new ATOM 0 HA CYS A 19 4.196 7.557 -1.327 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.764 6.806 -2.842 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.529 8.323 -1.996 1.00 0.00 H new ATOM 269 N LYS A 20 3.063 8.729 0.596 1.00 0.00 N ATOM 270 CA LYS A 20 2.575 9.231 1.915 1.00 0.00 C ATOM 271 C LYS A 20 1.042 9.322 1.926 1.00 0.00 C ATOM 272 O LYS A 20 0.452 10.086 1.184 1.00 0.00 O ATOM 273 CB LYS A 20 3.203 10.619 2.073 1.00 0.00 C ATOM 274 CG LYS A 20 3.369 10.944 3.560 1.00 0.00 C ATOM 275 CD LYS A 20 4.613 11.815 3.762 1.00 0.00 C ATOM 276 CE LYS A 20 5.866 10.929 3.794 1.00 0.00 C ATOM 277 NZ LYS A 20 5.977 10.457 5.205 1.00 0.00 N ATOM 0 H LYS A 20 3.741 9.334 0.132 1.00 0.00 H new ATOM 0 HA LYS A 20 2.852 8.565 2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.172 10.650 1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.574 11.370 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.485 11.464 3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.461 10.023 4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.692 12.545 2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.529 12.376 4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.772 10.090 3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.752 11.489 3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.475 9.544 5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.508 11.155 5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.025 10.342 5.608 1.00 0.00 H new ATOM 291 N GLY A 21 0.399 8.540 2.759 1.00 0.00 N ATOM 292 CA GLY A 21 -1.096 8.566 2.822 1.00 0.00 C ATOM 293 C GLY A 21 -1.645 7.155 2.575 1.00 0.00 C ATOM 294 O GLY A 21 -2.658 6.773 3.129 1.00 0.00 O ATOM 0 H GLY A 21 0.846 7.884 3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.423 8.929 3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.490 9.256 2.076 1.00 0.00 H new ATOM 298 N TYR A 22 -0.985 6.383 1.744 1.00 0.00 N ATOM 299 CA TYR A 22 -1.462 4.995 1.452 1.00 0.00 C ATOM 300 C TYR A 22 -0.753 3.985 2.365 1.00 0.00 C ATOM 301 O TYR A 22 0.380 4.183 2.764 1.00 0.00 O ATOM 302 CB TYR A 22 -1.086 4.720 -0.015 1.00 0.00 C ATOM 303 CG TYR A 22 -1.453 5.893 -0.901 1.00 0.00 C ATOM 304 CD1 TYR A 22 -2.603 6.651 -0.640 1.00 0.00 C ATOM 305 CD2 TYR A 22 -0.637 6.218 -1.991 1.00 0.00 C ATOM 306 CE1 TYR A 22 -2.932 7.732 -1.470 1.00 0.00 C ATOM 307 CE2 TYR A 22 -0.968 7.297 -2.819 1.00 0.00 C ATOM 308 CZ TYR A 22 -2.115 8.055 -2.558 1.00 0.00 C ATOM 309 OH TYR A 22 -2.444 9.120 -3.374 1.00 0.00 O ATOM 0 H TYR A 22 -0.133 6.657 1.254 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.534 4.900 1.623 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.016 4.525 -0.089 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.598 3.823 -0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.235 6.402 0.200 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.249 5.635 -2.193 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.818 8.316 -1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.338 7.545 -3.660 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.229 8.889 -3.913 1.00 0.00 H new ATOM 319 N ALA A 23 -1.413 2.901 2.686 1.00 0.00 N ATOM 320 CA ALA A 23 -0.790 1.857 3.560 1.00 0.00 C ATOM 321 C ALA A 23 -0.861 0.491 2.868 1.00 0.00 C ATOM 322 O ALA A 23 -1.767 0.223 2.102 1.00 0.00 O ATOM 323 CB ALA A 23 -1.629 1.855 4.839 1.00 0.00 C ATOM 0 H ALA A 23 -2.363 2.692 2.379 1.00 0.00 H new ATOM 0 HA ALA A 23 0.261 2.060 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.234 1.113 5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.589 2.841 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.663 1.610 4.596 1.00 0.00 H new ATOM 329 N CYS A 24 0.086 -0.377 3.131 1.00 0.00 N ATOM 330 CA CYS A 24 0.069 -1.727 2.481 1.00 0.00 C ATOM 331 C CYS A 24 -0.732 -2.717 3.329 1.00 0.00 C ATOM 332 O CYS A 24 -0.929 -2.523 4.515 1.00 0.00 O ATOM 333 CB CYS A 24 1.537 -2.150 2.391 1.00 0.00 C ATOM 334 SG CYS A 24 1.652 -3.886 1.883 1.00 0.00 S ATOM 0 H CYS A 24 0.868 -0.211 3.765 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.403 -1.703 1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.063 -1.518 1.676 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.024 -2.012 3.357 1.00 0.00 H new ATOM 339 N SER A 25 -1.204 -3.772 2.719 1.00 0.00 N ATOM 340 CA SER A 25 -2.006 -4.785 3.466 1.00 0.00 C ATOM 341 C SER A 25 -1.666 -6.203 2.994 1.00 0.00 C ATOM 342 O SER A 25 -1.644 -6.483 1.810 1.00 0.00 O ATOM 343 CB SER A 25 -3.462 -4.447 3.143 1.00 0.00 C ATOM 344 OG SER A 25 -3.824 -3.243 3.805 1.00 0.00 O ATOM 0 H SER A 25 -1.067 -3.977 1.729 1.00 0.00 H new ATOM 0 HA SER A 25 -1.803 -4.758 4.537 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.591 -4.336 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.115 -5.260 3.460 1.00 0.00 H new ATOM 0 HG SER A 25 -4.798 -3.137 3.782 1.00 0.00 H new ATOM 350 N LYS A 26 -1.416 -7.099 3.918 1.00 0.00 N ATOM 351 CA LYS A 26 -1.094 -8.508 3.535 1.00 0.00 C ATOM 352 C LYS A 26 -2.397 -9.289 3.331 1.00 0.00 C ATOM 353 O LYS A 26 -2.549 -10.013 2.365 1.00 0.00 O ATOM 354 CB LYS A 26 -0.283 -9.074 4.709 1.00 0.00 C ATOM 355 CG LYS A 26 -0.189 -10.602 4.601 1.00 0.00 C ATOM 356 CD LYS A 26 0.593 -10.990 3.342 1.00 0.00 C ATOM 357 CE LYS A 26 0.385 -12.481 3.049 1.00 0.00 C ATOM 358 NZ LYS A 26 -0.688 -12.531 2.014 1.00 0.00 N ATOM 0 H LYS A 26 -1.421 -6.915 4.921 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.531 -8.575 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.717 -8.640 4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.754 -8.797 5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.303 -11.008 5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.189 -11.035 4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.258 -10.392 2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.654 -10.780 3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.303 -12.943 2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.090 -13.021 3.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.252 -13.396 2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.304 -11.699 2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.257 -12.533 1.067 1.00 0.00 H new ATOM 372 N THR A 27 -3.342 -9.127 4.226 1.00 0.00 N ATOM 373 CA THR A 27 -4.654 -9.837 4.084 1.00 0.00 C ATOM 374 C THR A 27 -5.307 -9.431 2.760 1.00 0.00 C ATOM 375 O THR A 27 -5.895 -10.242 2.069 1.00 0.00 O ATOM 376 CB THR A 27 -5.511 -9.369 5.270 1.00 0.00 C ATOM 377 OG1 THR A 27 -4.761 -9.473 6.473 1.00 0.00 O ATOM 378 CG2 THR A 27 -6.767 -10.238 5.375 1.00 0.00 C ATOM 0 H THR A 27 -3.262 -8.532 5.051 1.00 0.00 H new ATOM 0 HA THR A 27 -4.541 -10.921 4.082 1.00 0.00 H new ATOM 0 HB THR A 27 -5.802 -8.330 5.113 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.309 -9.172 7.227 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.372 -9.903 6.217 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.346 -10.153 4.456 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.478 -11.278 5.527 1.00 0.00 H new ATOM 386 N TRP A 28 -5.189 -8.177 2.405 1.00 0.00 N ATOM 387 CA TRP A 28 -5.780 -7.690 1.122 1.00 0.00 C ATOM 388 C TRP A 28 -4.828 -8.020 -0.033 1.00 0.00 C ATOM 389 O TRP A 28 -5.247 -8.448 -1.091 1.00 0.00 O ATOM 390 CB TRP A 28 -5.920 -6.169 1.293 1.00 0.00 C ATOM 391 CG TRP A 28 -6.801 -5.848 2.468 1.00 0.00 C ATOM 392 CD1 TRP A 28 -7.516 -6.748 3.187 1.00 0.00 C ATOM 393 CD2 TRP A 28 -7.069 -4.546 3.067 1.00 0.00 C ATOM 394 NE1 TRP A 28 -8.197 -6.081 4.189 1.00 0.00 N ATOM 395 CE2 TRP A 28 -7.957 -4.725 4.154 1.00 0.00 C ATOM 396 CE3 TRP A 28 -6.632 -3.242 2.776 1.00 0.00 C ATOM 397 CZ2 TRP A 28 -8.395 -3.648 4.927 1.00 0.00 C ATOM 398 CZ3 TRP A 28 -7.072 -2.156 3.551 1.00 0.00 C ATOM 399 CH2 TRP A 28 -7.950 -2.359 4.624 1.00 0.00 C ATOM 0 H TRP A 28 -4.705 -7.465 2.952 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.740 -8.155 0.898 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.936 -5.722 1.436 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.340 -5.733 0.387 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.548 -7.812 3.007 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.803 -6.537 4.871 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.954 -3.074 1.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.072 -3.810 5.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -6.731 -1.158 3.318 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.282 -1.519 5.216 1.00 0.00 H new ATOM 410 N GLY A 29 -3.546 -7.834 0.176 1.00 0.00 N ATOM 411 CA GLY A 29 -2.549 -8.146 -0.890 1.00 0.00 C ATOM 412 C GLY A 29 -2.211 -6.892 -1.707 1.00 0.00 C ATOM 413 O GLY A 29 -1.662 -6.993 -2.789 1.00 0.00 O ATOM 0 H GLY A 29 -3.148 -7.477 1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.641 -8.547 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.945 -8.919 -1.549 1.00 0.00 H new ATOM 417 N TRP A 30 -2.520 -5.713 -1.213 1.00 0.00 N ATOM 418 CA TRP A 30 -2.191 -4.481 -1.995 1.00 0.00 C ATOM 419 C TRP A 30 -1.946 -3.283 -1.070 1.00 0.00 C ATOM 420 O TRP A 30 -2.051 -3.380 0.137 1.00 0.00 O ATOM 421 CB TRP A 30 -3.395 -4.249 -2.925 1.00 0.00 C ATOM 422 CG TRP A 30 -4.565 -3.698 -2.167 1.00 0.00 C ATOM 423 CD1 TRP A 30 -4.643 -2.449 -1.653 1.00 0.00 C ATOM 424 CD2 TRP A 30 -5.830 -4.348 -1.848 1.00 0.00 C ATOM 425 NE1 TRP A 30 -5.863 -2.296 -1.029 1.00 0.00 N ATOM 426 CE2 TRP A 30 -6.632 -3.437 -1.123 1.00 0.00 C ATOM 427 CE3 TRP A 30 -6.351 -5.628 -2.111 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -7.909 -3.782 -0.675 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -7.635 -5.978 -1.662 1.00 0.00 C ATOM 430 CH2 TRP A 30 -8.413 -5.055 -0.945 1.00 0.00 C ATOM 0 H TRP A 30 -2.979 -5.554 -0.316 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.270 -4.600 -2.565 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.116 -3.559 -3.721 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.676 -5.188 -3.402 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -3.874 -1.694 -1.721 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.161 -1.443 -0.556 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.760 -6.346 -2.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -8.503 -3.068 -0.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -8.026 -6.963 -1.870 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -9.400 -5.330 -0.603 1.00 0.00 H new ATOM 441 N CYS A 31 -1.616 -2.155 -1.644 1.00 0.00 N ATOM 442 CA CYS A 31 -1.349 -0.933 -0.833 1.00 0.00 C ATOM 443 C CYS A 31 -2.268 0.207 -1.279 1.00 0.00 C ATOM 444 O CYS A 31 -2.229 0.642 -2.419 1.00 0.00 O ATOM 445 CB CYS A 31 0.116 -0.591 -1.109 1.00 0.00 C ATOM 446 SG CYS A 31 0.684 0.648 0.078 1.00 0.00 S ATOM 0 H CYS A 31 -1.519 -2.029 -2.652 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.536 -1.088 0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.730 -1.489 -1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.226 -0.213 -2.125 1.00 0.00 H new ATOM 451 N ALA A 32 -3.091 0.690 -0.384 1.00 0.00 N ATOM 452 CA ALA A 32 -4.025 1.806 -0.726 1.00 0.00 C ATOM 453 C ALA A 32 -4.306 2.656 0.520 1.00 0.00 C ATOM 454 O ALA A 32 -3.816 2.370 1.594 1.00 0.00 O ATOM 455 CB ALA A 32 -5.304 1.115 -1.206 1.00 0.00 C ATOM 0 H ALA A 32 -3.157 0.356 0.578 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.615 2.476 -1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.044 1.868 -1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.079 0.497 -2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.700 0.488 -0.407 1.00 0.00 H new ATOM 461 N VAL A 33 -5.088 3.700 0.384 1.00 0.00 N ATOM 462 CA VAL A 33 -5.396 4.570 1.567 1.00 0.00 C ATOM 463 C VAL A 33 -6.076 3.746 2.671 1.00 0.00 C ATOM 464 O VAL A 33 -7.149 3.203 2.482 1.00 0.00 O ATOM 465 CB VAL A 33 -6.343 5.661 1.048 1.00 0.00 C ATOM 466 CG1 VAL A 33 -6.715 6.600 2.197 1.00 0.00 C ATOM 467 CG2 VAL A 33 -5.650 6.469 -0.055 1.00 0.00 C ATOM 0 H VAL A 33 -5.526 3.988 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.492 4.999 1.999 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.242 5.193 0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.387 7.375 1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.211 6.033 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.812 7.062 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.327 7.242 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.750 6.935 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.380 5.806 -0.877 1.00 0.00 H new ATOM 477 N GLU A 34 -5.449 3.648 3.819 1.00 0.00 N ATOM 478 CA GLU A 34 -6.044 2.859 4.946 1.00 0.00 C ATOM 479 C GLU A 34 -7.367 3.487 5.408 1.00 0.00 C ATOM 480 O GLU A 34 -7.399 4.601 5.896 1.00 0.00 O ATOM 481 CB GLU A 34 -4.999 2.897 6.076 1.00 0.00 C ATOM 482 CG GLU A 34 -4.656 4.348 6.440 1.00 0.00 C ATOM 483 CD GLU A 34 -3.146 4.566 6.326 1.00 0.00 C ATOM 484 OE1 GLU A 34 -2.689 4.843 5.228 1.00 0.00 O ATOM 485 OE2 GLU A 34 -2.471 4.451 7.336 1.00 0.00 O ATOM 0 H GLU A 34 -4.549 4.081 4.025 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.272 1.837 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.384 2.377 6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.097 2.371 5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.183 5.034 5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.989 4.567 7.455 1.00 0.00 H new ATOM 492 N ALA A 35 -8.459 2.768 5.252 1.00 0.00 N ATOM 493 CA ALA A 35 -9.800 3.296 5.673 1.00 0.00 C ATOM 494 C ALA A 35 -10.078 4.665 5.027 1.00 0.00 C ATOM 495 O ALA A 35 -9.800 5.696 5.613 1.00 0.00 O ATOM 496 CB ALA A 35 -9.724 3.417 7.200 1.00 0.00 C ATOM 0 H ALA A 35 -8.477 1.832 4.848 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.611 2.639 5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.671 3.798 7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.526 2.437 7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.921 4.102 7.471 1.00 0.00 H new ATOM 502 N PRO A 36 -10.620 4.629 3.831 1.00 0.00 N ATOM 503 CA PRO A 36 -10.934 5.886 3.099 1.00 0.00 C ATOM 504 C PRO A 36 -12.125 6.607 3.745 1.00 0.00 C ATOM 505 O PRO A 36 -13.127 5.955 3.999 1.00 0.00 O ATOM 506 CB PRO A 36 -11.278 5.404 1.689 1.00 0.00 C ATOM 507 CG PRO A 36 -11.726 3.989 1.863 1.00 0.00 C ATOM 508 CD PRO A 36 -10.990 3.436 3.057 1.00 0.00 C ATOM 0 HA PRO A 36 -10.113 6.603 3.109 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.063 6.015 1.244 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.413 5.466 1.029 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.804 3.942 2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.508 3.403 0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.621 2.763 3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.110 2.867 2.755 1.00 0.00 H new TER 516 PRO A 36