USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 260 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 MET CE :methyl -162:sc= -1.27! (180deg=-1.31!) USER MOD Single : A 1 MET N :NH3+ -155:sc= 0.00264 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 170:sc= -0.193 USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.029) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.729 3.879 8.836 1.00 0.00 N ATOM 2 CA MET A 1 -13.223 3.288 7.610 1.00 0.00 C ATOM 3 C MET A 1 -13.489 4.200 6.411 1.00 0.00 C ATOM 4 O MET A 1 -14.181 5.209 6.536 1.00 0.00 O ATOM 5 CB MET A 1 -13.895 1.933 7.380 1.00 0.00 C ATOM 6 CG MET A 1 -12.854 0.820 7.241 1.00 0.00 C ATOM 7 SD MET A 1 -12.847 0.196 5.568 1.00 0.00 S ATOM 8 CE MET A 1 -11.113 0.367 5.179 1.00 0.00 C ATOM 0 H1 MET A 1 -13.201 3.500 9.648 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.612 4.912 8.798 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.738 3.649 8.942 1.00 0.00 H new ATOM 0 HA MET A 1 -12.146 3.156 7.711 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.563 1.709 8.212 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.509 1.976 6.480 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.866 1.200 7.500 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.078 0.012 7.938 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.977 0.332 4.098 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.747 1.321 5.560 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.554 -0.447 5.641 1.00 0.00 H new ATOM 18 N VAL A 2 -12.928 3.812 5.276 1.00 0.00 N ATOM 19 CA VAL A 2 -13.096 4.581 4.055 1.00 0.00 C ATOM 20 C VAL A 2 -14.539 5.083 3.968 1.00 0.00 C ATOM 21 O VAL A 2 -14.785 6.203 3.523 1.00 0.00 O ATOM 22 CB VAL A 2 -12.681 3.743 2.844 1.00 0.00 C ATOM 23 CG1 VAL A 2 -11.190 3.914 2.544 1.00 0.00 C ATOM 24 CG2 VAL A 2 -13.032 2.268 3.053 1.00 0.00 C ATOM 0 H VAL A 2 -12.356 2.974 5.176 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.446 5.456 4.064 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.240 4.102 1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.921 3.308 1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.979 4.962 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.606 3.594 3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.727 1.694 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.512 1.891 3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -14.108 2.167 3.196 1.00 0.00 H new ATOM 34 N LYS A 3 -15.455 4.229 4.401 1.00 0.00 N ATOM 35 CA LYS A 3 -16.868 4.571 4.377 1.00 0.00 C ATOM 36 C LYS A 3 -17.270 4.960 2.954 1.00 0.00 C ATOM 37 O LYS A 3 -17.936 5.975 2.749 1.00 0.00 O ATOM 38 CB LYS A 3 -17.175 5.647 5.420 1.00 0.00 C ATOM 39 CG LYS A 3 -18.621 5.541 5.909 1.00 0.00 C ATOM 40 CD LYS A 3 -18.742 4.526 7.047 1.00 0.00 C ATOM 41 CE LYS A 3 -19.979 4.808 7.903 1.00 0.00 C ATOM 42 NZ LYS A 3 -19.746 4.390 9.304 1.00 0.00 N ATOM 0 H LYS A 3 -15.247 3.301 4.770 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.474 3.709 4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.493 5.545 6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.004 6.634 4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.966 6.517 6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -19.267 5.245 5.083 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.802 3.518 6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.848 4.564 7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.217 5.871 7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -20.839 4.276 7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.595 4.588 9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.541 3.371 9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.938 4.917 9.694 1.00 0.00 H new ATOM 55 N SER A 4 -16.849 4.135 2.007 1.00 0.00 N ATOM 56 CA SER A 4 -17.157 4.381 0.609 1.00 0.00 C ATOM 57 C SER A 4 -16.380 3.405 -0.278 1.00 0.00 C ATOM 58 O SER A 4 -16.867 2.995 -1.331 1.00 0.00 O ATOM 59 CB SER A 4 -16.835 5.825 0.219 1.00 0.00 C ATOM 60 OG SER A 4 -16.788 5.999 -1.195 1.00 0.00 O ATOM 0 H SER A 4 -16.297 3.295 2.181 1.00 0.00 H new ATOM 0 HA SER A 4 -18.226 4.224 0.462 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.588 6.491 0.641 1.00 0.00 H new ATOM 0 HB3 SER A 4 -15.877 6.112 0.652 1.00 0.00 H new ATOM 0 HG SER A 4 -16.741 6.955 -1.406 1.00 0.00 H new ATOM 66 N LYS A 5 -15.185 3.063 0.180 1.00 0.00 N ATOM 67 CA LYS A 5 -14.335 2.144 -0.558 1.00 0.00 C ATOM 68 C LYS A 5 -13.514 2.927 -1.584 1.00 0.00 C ATOM 69 O LYS A 5 -12.596 2.383 -2.195 1.00 0.00 O ATOM 70 CB LYS A 5 -15.170 1.017 -1.170 1.00 0.00 C ATOM 71 CG LYS A 5 -14.322 -0.238 -1.385 1.00 0.00 C ATOM 72 CD LYS A 5 -15.207 -1.458 -1.651 1.00 0.00 C ATOM 73 CE LYS A 5 -14.375 -2.741 -1.689 1.00 0.00 C ATOM 74 NZ LYS A 5 -14.012 -3.164 -0.318 1.00 0.00 N ATOM 0 H LYS A 5 -14.785 3.406 1.053 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.627 1.658 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.010 0.785 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.589 1.345 -2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.645 -0.085 -2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.703 -0.418 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.967 -1.536 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.731 -1.332 -2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.939 -3.532 -2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.472 -2.578 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.536 -4.088 -0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.372 -2.461 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.873 -3.241 0.261 1.00 0.00 H new ATOM 87 N ILE A 6 -13.874 4.193 -1.741 1.00 0.00 N ATOM 88 CA ILE A 6 -13.182 5.057 -2.682 1.00 0.00 C ATOM 89 C ILE A 6 -11.880 5.554 -2.049 1.00 0.00 C ATOM 90 O ILE A 6 -10.946 5.927 -2.757 1.00 0.00 O ATOM 91 CB ILE A 6 -14.105 6.182 -3.156 1.00 0.00 C ATOM 92 CG1 ILE A 6 -15.091 5.675 -4.209 1.00 0.00 C ATOM 93 CG2 ILE A 6 -13.296 7.380 -3.657 1.00 0.00 C ATOM 94 CD1 ILE A 6 -14.401 5.487 -5.562 1.00 0.00 C ATOM 0 H ILE A 6 -14.636 4.641 -1.232 1.00 0.00 H new ATOM 0 HA ILE A 6 -12.909 4.502 -3.579 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.692 6.524 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -15.523 4.729 -3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -15.914 6.382 -4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -13.976 8.165 -3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.669 7.759 -2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.666 7.070 -4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -15.125 5.126 -6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -13.992 6.440 -5.897 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.594 4.761 -5.461 1.00 0.00 H new ATOM 106 N GLY A 7 -11.862 5.542 -0.726 1.00 0.00 N ATOM 107 CA GLY A 7 -10.690 5.986 0.010 1.00 0.00 C ATOM 108 C GLY A 7 -9.731 4.822 0.271 1.00 0.00 C ATOM 109 O GLY A 7 -8.814 4.939 1.082 1.00 0.00 O ATOM 0 H GLY A 7 -12.640 5.232 -0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.177 6.765 -0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.997 6.428 0.958 1.00 0.00 H new ATOM 113 N SER A 8 -9.979 3.726 -0.430 1.00 0.00 N ATOM 114 CA SER A 8 -9.150 2.541 -0.284 1.00 0.00 C ATOM 115 C SER A 8 -8.308 2.333 -1.544 1.00 0.00 C ATOM 116 O SER A 8 -7.269 1.675 -1.501 1.00 0.00 O ATOM 117 CB SER A 8 -10.003 1.303 -0.006 1.00 0.00 C ATOM 118 OG SER A 8 -9.228 0.228 0.522 1.00 0.00 O ATOM 0 H SER A 8 -10.742 3.633 -1.101 1.00 0.00 H new ATOM 0 HA SER A 8 -8.487 2.691 0.568 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.795 1.559 0.698 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.488 0.982 -0.928 1.00 0.00 H new ATOM 0 HG SER A 8 -9.809 -0.544 0.688 1.00 0.00 H new ATOM 124 N TRP A 9 -8.786 2.909 -2.638 1.00 0.00 N ATOM 125 CA TRP A 9 -8.090 2.794 -3.909 1.00 0.00 C ATOM 126 C TRP A 9 -6.946 3.811 -3.914 1.00 0.00 C ATOM 127 O TRP A 9 -5.819 3.481 -4.278 1.00 0.00 O ATOM 128 CB TRP A 9 -9.056 2.974 -5.081 1.00 0.00 C ATOM 129 CG TRP A 9 -9.229 4.428 -5.527 1.00 0.00 C ATOM 130 CD1 TRP A 9 -10.264 5.246 -5.290 1.00 0.00 C ATOM 131 CD2 TRP A 9 -8.293 5.206 -6.302 1.00 0.00 C ATOM 132 NE1 TRP A 9 -10.064 6.490 -5.853 1.00 0.00 N ATOM 133 CE2 TRP A 9 -8.827 6.465 -6.488 1.00 0.00 C ATOM 134 CE3 TRP A 9 -7.037 4.859 -6.829 1.00 0.00 C ATOM 135 CZ2 TRP A 9 -8.175 7.478 -7.201 1.00 0.00 C ATOM 136 CZ3 TRP A 9 -6.397 5.882 -7.539 1.00 0.00 C ATOM 137 CH2 TRP A 9 -6.921 7.154 -7.735 1.00 0.00 C ATOM 0 H TRP A 9 -9.646 3.456 -2.670 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.669 1.796 -4.030 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -8.699 2.385 -5.926 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.030 2.572 -4.801 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -11.144 4.967 -4.729 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.705 7.282 -5.811 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -6.600 3.880 -6.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -8.615 8.456 -7.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -5.428 5.667 -7.964 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -6.364 7.890 -8.296 1.00 0.00 H new ATOM 148 N ILE A 10 -7.277 5.028 -3.507 1.00 0.00 N ATOM 149 CA ILE A 10 -6.293 6.095 -3.461 1.00 0.00 C ATOM 150 C ILE A 10 -5.067 5.618 -2.679 1.00 0.00 C ATOM 151 O ILE A 10 -3.939 5.987 -3.001 1.00 0.00 O ATOM 152 CB ILE A 10 -6.916 7.376 -2.905 1.00 0.00 C ATOM 153 CG1 ILE A 10 -6.173 8.614 -3.413 1.00 0.00 C ATOM 154 CG2 ILE A 10 -6.985 7.335 -1.378 1.00 0.00 C ATOM 155 CD1 ILE A 10 -4.677 8.520 -3.102 1.00 0.00 C ATOM 0 H ILE A 10 -8.213 5.298 -3.206 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.954 6.344 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.940 7.443 -3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.319 8.715 -4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.589 9.508 -2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.432 8.258 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.593 6.487 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.979 7.231 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.172 9.412 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.534 8.444 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.259 7.638 -3.587 1.00 0.00 H new ATOM 167 N LEU A 11 -5.330 4.806 -1.666 1.00 0.00 N ATOM 168 CA LEU A 11 -4.262 4.276 -0.835 1.00 0.00 C ATOM 169 C LEU A 11 -3.490 3.215 -1.621 1.00 0.00 C ATOM 170 O LEU A 11 -2.260 3.204 -1.614 1.00 0.00 O ATOM 171 CB LEU A 11 -4.822 3.769 0.496 1.00 0.00 C ATOM 172 CG LEU A 11 -4.266 4.438 1.755 1.00 0.00 C ATOM 173 CD1 LEU A 11 -2.776 4.138 1.923 1.00 0.00 C ATOM 174 CD2 LEU A 11 -4.551 5.941 1.749 1.00 0.00 C ATOM 0 H LEU A 11 -6.267 4.502 -1.402 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.552 5.062 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.904 3.901 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.632 2.698 0.563 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.779 4.017 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.406 4.625 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.629 3.061 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.229 4.513 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.145 6.392 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.083 6.397 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.628 6.107 1.712 1.00 0.00 H new ATOM 186 N VAL A 12 -4.243 2.348 -2.282 1.00 0.00 N ATOM 187 CA VAL A 12 -3.644 1.286 -3.072 1.00 0.00 C ATOM 188 C VAL A 12 -2.896 1.897 -4.257 1.00 0.00 C ATOM 189 O VAL A 12 -2.071 1.235 -4.884 1.00 0.00 O ATOM 190 CB VAL A 12 -4.717 0.280 -3.495 1.00 0.00 C ATOM 191 CG1 VAL A 12 -4.188 -0.661 -4.581 1.00 0.00 C ATOM 192 CG2 VAL A 12 -5.236 -0.508 -2.291 1.00 0.00 C ATOM 0 H VAL A 12 -5.263 2.359 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.915 0.733 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.554 0.839 -3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.970 -1.366 -4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.891 -0.079 -5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.326 -1.209 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.997 -1.215 -2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.412 -1.051 -1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.670 0.180 -1.565 1.00 0.00 H new ATOM 202 N LEU A 13 -3.212 3.155 -4.531 1.00 0.00 N ATOM 203 CA LEU A 13 -2.580 3.864 -5.631 1.00 0.00 C ATOM 204 C LEU A 13 -1.137 4.203 -5.250 1.00 0.00 C ATOM 205 O LEU A 13 -0.205 3.870 -5.980 1.00 0.00 O ATOM 206 CB LEU A 13 -3.413 5.083 -6.032 1.00 0.00 C ATOM 207 CG LEU A 13 -2.675 6.422 -6.052 1.00 0.00 C ATOM 208 CD1 LEU A 13 -1.555 6.415 -7.095 1.00 0.00 C ATOM 209 CD2 LEU A 13 -3.650 7.582 -6.267 1.00 0.00 C ATOM 0 H LEU A 13 -3.898 3.701 -4.010 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.536 3.232 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.828 4.904 -7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.255 5.165 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.208 6.569 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.046 7.379 -7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.841 5.626 -6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.979 6.235 -8.083 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.100 8.523 -6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.165 7.453 -7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.381 7.598 -5.458 1.00 0.00 H new ATOM 221 N PHE A 14 -0.999 4.862 -4.110 1.00 0.00 N ATOM 222 CA PHE A 14 0.315 5.250 -3.624 1.00 0.00 C ATOM 223 C PHE A 14 1.254 4.045 -3.561 1.00 0.00 C ATOM 224 O PHE A 14 2.386 4.108 -4.039 1.00 0.00 O ATOM 225 CB PHE A 14 0.123 5.807 -2.213 1.00 0.00 C ATOM 226 CG PHE A 14 -0.645 7.130 -2.164 1.00 0.00 C ATOM 227 CD1 PHE A 14 -0.372 8.108 -3.069 1.00 0.00 C ATOM 228 CD2 PHE A 14 -1.599 7.327 -1.216 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.085 9.335 -3.025 1.00 0.00 C ATOM 230 CE2 PHE A 14 -2.312 8.555 -1.172 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.040 9.533 -2.076 1.00 0.00 C ATOM 0 H PHE A 14 -1.775 5.138 -3.508 1.00 0.00 H new ATOM 0 HA PHE A 14 0.758 5.986 -4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.407 5.069 -1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.101 5.950 -1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.387 7.951 -3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.815 6.551 -0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.869 10.111 -3.745 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.071 8.712 -0.420 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.582 10.467 -2.041 1.00 0.00 H new ATOM 241 N VAL A 15 0.751 2.973 -2.966 1.00 0.00 N ATOM 242 CA VAL A 15 1.531 1.754 -2.834 1.00 0.00 C ATOM 243 C VAL A 15 1.723 1.125 -4.215 1.00 0.00 C ATOM 244 O VAL A 15 2.598 0.280 -4.399 1.00 0.00 O ATOM 245 CB VAL A 15 0.860 0.809 -1.834 1.00 0.00 C ATOM 246 CG1 VAL A 15 0.851 1.415 -0.429 1.00 0.00 C ATOM 247 CG2 VAL A 15 -0.557 0.450 -2.285 1.00 0.00 C ATOM 0 H VAL A 15 -0.188 2.923 -2.570 1.00 0.00 H new ATOM 0 HA VAL A 15 2.522 1.975 -2.437 1.00 0.00 H new ATOM 0 HB VAL A 15 1.443 -0.111 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.369 0.724 0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.876 1.597 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.302 2.357 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.011 -0.222 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.155 1.358 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.516 -0.042 -3.257 1.00 0.00 H new ATOM 257 N ALA A 16 0.890 1.559 -5.150 1.00 0.00 N ATOM 258 CA ALA A 16 0.958 1.048 -6.508 1.00 0.00 C ATOM 259 C ALA A 16 1.961 1.879 -7.311 1.00 0.00 C ATOM 260 O ALA A 16 2.652 1.352 -8.182 1.00 0.00 O ATOM 261 CB ALA A 16 -0.440 1.063 -7.129 1.00 0.00 C ATOM 0 H ALA A 16 0.165 2.259 -4.993 1.00 0.00 H new ATOM 0 HA ALA A 16 1.306 0.015 -6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.390 0.680 -8.148 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.107 0.436 -6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.821 2.084 -7.144 1.00 0.00 H new ATOM 267 N MET A 17 2.010 3.163 -6.989 1.00 0.00 N ATOM 268 CA MET A 17 2.917 4.072 -7.670 1.00 0.00 C ATOM 269 C MET A 17 4.369 3.796 -7.271 1.00 0.00 C ATOM 270 O MET A 17 5.279 3.946 -8.085 1.00 0.00 O ATOM 271 CB MET A 17 2.555 5.515 -7.317 1.00 0.00 C ATOM 272 CG MET A 17 2.776 6.444 -8.512 1.00 0.00 C ATOM 273 SD MET A 17 4.518 6.554 -8.886 1.00 0.00 S ATOM 274 CE MET A 17 4.456 6.501 -10.670 1.00 0.00 C ATOM 0 H MET A 17 1.436 3.596 -6.265 1.00 0.00 H new ATOM 0 HA MET A 17 2.819 3.917 -8.745 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.513 5.565 -7.001 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.160 5.850 -6.475 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.232 6.070 -9.379 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.380 7.435 -8.291 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.468 6.560 -11.071 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.992 5.568 -10.990 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.870 7.343 -11.039 1.00 0.00 H new ATOM 284 N TRP A 18 4.540 3.400 -6.018 1.00 0.00 N ATOM 285 CA TRP A 18 5.866 3.104 -5.502 1.00 0.00 C ATOM 286 C TRP A 18 6.298 1.746 -6.060 1.00 0.00 C ATOM 287 O TRP A 18 7.394 1.615 -6.603 1.00 0.00 O ATOM 288 CB TRP A 18 5.882 3.154 -3.973 1.00 0.00 C ATOM 289 CG TRP A 18 5.232 4.408 -3.385 1.00 0.00 C ATOM 290 CD1 TRP A 18 5.253 5.655 -3.874 1.00 0.00 C ATOM 291 CD2 TRP A 18 4.460 4.486 -2.167 1.00 0.00 C ATOM 292 NE1 TRP A 18 4.554 6.528 -3.065 1.00 0.00 N ATOM 293 CE2 TRP A 18 4.055 5.795 -1.995 1.00 0.00 C ATOM 294 CE3 TRP A 18 4.113 3.484 -1.244 1.00 0.00 C ATOM 295 CZ2 TRP A 18 3.284 6.221 -0.907 1.00 0.00 C ATOM 296 CZ3 TRP A 18 3.343 3.927 -0.163 1.00 0.00 C ATOM 297 CH2 TRP A 18 2.928 5.240 0.026 1.00 0.00 C ATOM 0 H TRP A 18 3.783 3.277 -5.345 1.00 0.00 H new ATOM 0 HA TRP A 18 6.584 3.858 -5.826 1.00 0.00 H new ATOM 0 HB2 TRP A 18 5.367 2.275 -3.585 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.915 3.097 -3.629 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.754 5.941 -4.787 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.427 7.528 -3.223 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.417 2.454 -1.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 2.980 7.251 -0.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.050 3.197 0.577 1.00 0.00 H new ATOM 0 HH2 TRP A 18 2.334 5.502 0.889 1.00 0.00 H new ATOM 308 N SER A 19 5.414 0.771 -5.908 1.00 0.00 N ATOM 309 CA SER A 19 5.690 -0.571 -6.390 1.00 0.00 C ATOM 310 C SER A 19 5.963 -0.540 -7.895 1.00 0.00 C ATOM 311 O SER A 19 6.515 -1.490 -8.449 1.00 0.00 O ATOM 312 CB SER A 19 4.529 -1.518 -6.080 1.00 0.00 C ATOM 313 OG SER A 19 4.754 -2.268 -4.891 1.00 0.00 O ATOM 0 H SER A 19 4.506 0.884 -5.458 1.00 0.00 H new ATOM 0 HA SER A 19 6.575 -0.944 -5.874 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.609 -0.942 -5.976 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.385 -2.201 -6.917 1.00 0.00 H new ATOM 0 HG SER A 19 3.989 -2.859 -4.727 1.00 0.00 H new ATOM 319 N ASP A 20 5.564 0.560 -8.515 1.00 0.00 N ATOM 320 CA ASP A 20 5.758 0.727 -9.945 1.00 0.00 C ATOM 321 C ASP A 20 7.173 1.247 -10.206 1.00 0.00 C ATOM 322 O ASP A 20 7.833 0.814 -11.148 1.00 0.00 O ATOM 323 CB ASP A 20 4.769 1.742 -10.521 1.00 0.00 C ATOM 324 CG ASP A 20 5.140 2.298 -11.896 1.00 0.00 C ATOM 325 OD1 ASP A 20 4.664 1.810 -12.933 1.00 0.00 O ATOM 326 OD2 ASP A 20 5.967 3.288 -11.879 1.00 0.00 O ATOM 0 H ASP A 20 5.107 1.346 -8.053 1.00 0.00 H new ATOM 0 HA ASP A 20 5.600 -0.241 -10.421 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.788 1.272 -10.589 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.677 2.574 -9.822 1.00 0.00 H new ATOM 332 N VAL A 21 7.597 2.167 -9.353 1.00 0.00 N ATOM 333 CA VAL A 21 8.922 2.751 -9.479 1.00 0.00 C ATOM 334 C VAL A 21 9.976 1.666 -9.252 1.00 0.00 C ATOM 335 O VAL A 21 11.108 1.789 -9.717 1.00 0.00 O ATOM 336 CB VAL A 21 9.066 3.936 -8.521 1.00 0.00 C ATOM 337 CG1 VAL A 21 10.311 4.761 -8.853 1.00 0.00 C ATOM 338 CG2 VAL A 21 7.809 4.807 -8.535 1.00 0.00 C ATOM 0 H VAL A 21 7.047 2.523 -8.571 1.00 0.00 H new ATOM 0 HA VAL A 21 9.072 3.144 -10.484 1.00 0.00 H new ATOM 0 HB VAL A 21 9.187 3.540 -7.513 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.390 5.597 -8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.197 4.133 -8.767 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.234 5.142 -9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.937 5.642 -7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.643 5.190 -9.542 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.950 4.211 -8.227 1.00 0.00 H new ATOM 348 N GLY A 22 9.567 0.629 -8.536 1.00 0.00 N ATOM 349 CA GLY A 22 10.462 -0.477 -8.241 1.00 0.00 C ATOM 350 C GLY A 22 11.879 0.026 -7.957 1.00 0.00 C ATOM 351 O GLY A 22 12.850 -0.511 -8.488 1.00 0.00 O ATOM 0 H GLY A 22 8.627 0.531 -8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.089 -1.031 -7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.480 -1.170 -9.082 1.00 0.00 H new ATOM 355 N LEU A 23 11.952 1.051 -7.121 1.00 0.00 N ATOM 356 CA LEU A 23 13.234 1.632 -6.760 1.00 0.00 C ATOM 357 C LEU A 23 14.106 1.752 -8.011 1.00 0.00 C ATOM 358 O LEU A 23 15.198 1.188 -8.067 1.00 0.00 O ATOM 359 CB LEU A 23 13.886 0.831 -5.630 1.00 0.00 C ATOM 360 CG LEU A 23 13.570 1.298 -4.208 1.00 0.00 C ATOM 361 CD1 LEU A 23 14.097 2.715 -3.967 1.00 0.00 C ATOM 362 CD2 LEU A 23 12.074 1.185 -3.913 1.00 0.00 C ATOM 0 H LEU A 23 11.144 1.494 -6.683 1.00 0.00 H new ATOM 0 HA LEU A 23 13.098 2.640 -6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.579 -0.210 -5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.967 0.859 -5.769 1.00 0.00 H new ATOM 0 HG LEU A 23 14.086 0.639 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.859 3.023 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 23 15.178 2.730 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.630 3.402 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.877 1.523 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.517 1.805 -4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.760 0.146 -4.017 1.00 0.00 H new ATOM 374 N CYS A 24 13.591 2.489 -8.984 1.00 0.00 N ATOM 375 CA CYS A 24 14.308 2.689 -10.231 1.00 0.00 C ATOM 376 C CYS A 24 15.067 4.016 -10.141 1.00 0.00 C ATOM 377 O CYS A 24 16.131 4.086 -9.529 1.00 0.00 O ATOM 378 CB CYS A 24 13.369 2.650 -11.437 1.00 0.00 C ATOM 379 SG CYS A 24 13.161 0.925 -12.013 1.00 0.00 S ATOM 0 H CYS A 24 12.685 2.955 -8.934 1.00 0.00 H new ATOM 0 HA CYS A 24 15.017 1.875 -10.380 1.00 0.00 H new ATOM 0 HB2 CYS A 24 12.400 3.072 -11.168 1.00 0.00 H new ATOM 0 HB3 CYS A 24 13.772 3.265 -12.242 1.00 0.00 H new ATOM 0 HG CYS A 24 12.360 0.903 -13.036 1.00 0.00 H new ATOM 385 N LYS A 25 14.489 5.034 -10.761 1.00 0.00 N ATOM 386 CA LYS A 25 15.096 6.354 -10.759 1.00 0.00 C ATOM 387 C LYS A 25 14.857 7.018 -9.401 1.00 0.00 C ATOM 388 O LYS A 25 14.276 8.099 -9.328 1.00 0.00 O ATOM 389 CB LYS A 25 14.590 7.178 -11.944 1.00 0.00 C ATOM 390 CG LYS A 25 14.989 6.532 -13.272 1.00 0.00 C ATOM 391 CD LYS A 25 16.306 7.113 -13.791 1.00 0.00 C ATOM 392 CE LYS A 25 17.459 6.131 -13.582 1.00 0.00 C ATOM 393 NZ LYS A 25 18.554 6.773 -12.819 1.00 0.00 N ATOM 0 H LYS A 25 13.606 4.971 -11.268 1.00 0.00 H new ATOM 0 HA LYS A 25 16.175 6.278 -10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.505 7.269 -11.891 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.997 8.188 -11.890 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.089 5.455 -13.141 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.202 6.691 -14.009 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.211 7.348 -14.851 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.523 8.049 -13.276 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.102 5.251 -13.047 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.832 5.788 -14.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.329 6.093 -12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.905 7.599 -13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.198 7.078 -11.891 1.00 0.00 H new ATOM 406 N LYS A 26 15.320 6.343 -8.359 1.00 0.00 N ATOM 407 CA LYS A 26 15.164 6.854 -7.008 1.00 0.00 C ATOM 408 C LYS A 26 16.367 7.732 -6.657 1.00 0.00 C ATOM 409 O LYS A 26 16.281 8.587 -5.778 1.00 0.00 O ATOM 410 CB LYS A 26 14.934 5.706 -6.024 1.00 0.00 C ATOM 411 CG LYS A 26 14.832 6.225 -4.588 1.00 0.00 C ATOM 412 CD LYS A 26 13.461 6.851 -4.328 1.00 0.00 C ATOM 413 CE LYS A 26 13.570 8.021 -3.348 1.00 0.00 C ATOM 414 NZ LYS A 26 13.046 7.634 -2.019 1.00 0.00 N ATOM 0 H LYS A 26 15.803 5.447 -8.423 1.00 0.00 H new ATOM 0 HA LYS A 26 14.277 7.484 -6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.020 5.174 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.752 4.990 -6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.000 5.406 -3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.613 6.964 -4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.031 7.198 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.783 6.098 -3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.611 8.332 -3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.013 8.876 -3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.127 8.439 -1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.047 7.359 -2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.595 6.832 -1.650 1.00 0.00 H new ATOM 427 N ARG A 27 17.461 7.492 -7.365 1.00 0.00 N ATOM 428 CA ARG A 27 18.679 8.250 -7.140 1.00 0.00 C ATOM 429 C ARG A 27 19.063 8.212 -5.659 1.00 0.00 C ATOM 430 O ARG A 27 18.817 9.170 -4.926 1.00 0.00 O ATOM 431 CB ARG A 27 18.511 9.705 -7.580 1.00 0.00 C ATOM 432 CG ARG A 27 19.866 10.344 -7.895 1.00 0.00 C ATOM 433 CD ARG A 27 19.696 11.587 -8.769 1.00 0.00 C ATOM 434 NE ARG A 27 19.317 12.747 -7.932 1.00 0.00 N ATOM 435 CZ ARG A 27 18.865 13.920 -8.423 1.00 0.00 C ATOM 436 NH1 ARG A 27 18.729 14.099 -9.755 1.00 0.00 N ATOM 437 NH2 ARG A 27 18.555 14.890 -7.582 1.00 0.00 N ATOM 0 H ARG A 27 17.529 6.783 -8.095 1.00 0.00 H new ATOM 0 HA ARG A 27 19.469 7.792 -7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 27 17.870 9.750 -8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.012 10.271 -6.793 1.00 0.00 H new ATOM 0 HG2 ARG A 27 20.369 10.614 -6.967 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.503 9.621 -8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.625 11.799 -9.299 1.00 0.00 H new ATOM 0 HD3 ARG A 27 18.931 11.408 -9.525 1.00 0.00 H new ATOM 0 HE ARG A 27 19.403 12.654 -6.920 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.969 13.344 -10.398 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.387 14.989 -10.118 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.659 14.747 -6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.212 15.783 -7.937 1.00 0.00 H new ATOM 450 N PRO A 28 19.674 7.067 -5.252 1.00 0.00 N ATOM 451 CA PRO A 28 20.094 6.892 -3.872 1.00 0.00 C ATOM 452 C PRO A 28 21.351 7.711 -3.573 1.00 0.00 C ATOM 453 O PRO A 28 22.233 7.831 -4.421 1.00 0.00 O ATOM 454 CB PRO A 28 20.306 5.396 -3.712 1.00 0.00 C ATOM 455 CG PRO A 28 20.451 4.842 -5.121 1.00 0.00 C ATOM 456 CD PRO A 28 19.981 5.914 -6.093 1.00 0.00 C ATOM 0 HA PRO A 28 19.354 7.254 -3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 28 21.196 5.189 -3.118 1.00 0.00 H new ATOM 0 HB3 PRO A 28 19.464 4.935 -3.196 1.00 0.00 H new ATOM 0 HG2 PRO A 28 21.488 4.573 -5.321 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.859 3.934 -5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 28 20.753 6.152 -6.824 1.00 0.00 H new ATOM 0 HD3 PRO A 28 19.104 5.586 -6.651 1.00 0.00 H new ATOM 464 N LYS A 29 21.391 8.253 -2.365 1.00 0.00 N ATOM 465 CA LYS A 29 22.526 9.057 -1.944 1.00 0.00 C ATOM 466 C LYS A 29 22.951 8.634 -0.536 1.00 0.00 C ATOM 467 O LYS A 29 22.208 7.942 0.158 1.00 0.00 O ATOM 468 CB LYS A 29 22.203 10.548 -2.067 1.00 0.00 C ATOM 469 CG LYS A 29 23.109 11.222 -3.098 1.00 0.00 C ATOM 470 CD LYS A 29 22.471 11.197 -4.489 1.00 0.00 C ATOM 471 CE LYS A 29 23.109 12.243 -5.404 1.00 0.00 C ATOM 472 NZ LYS A 29 23.879 11.586 -6.485 1.00 0.00 N ATOM 0 H LYS A 29 20.656 8.151 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 29 23.379 8.884 -2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 29 21.160 10.675 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 29 22.326 11.032 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 29 23.300 12.253 -2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.073 10.714 -3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.586 10.206 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 29 21.401 11.386 -4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.335 12.878 -5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 29 23.766 12.891 -4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 24.306 12.311 -7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 24.630 10.999 -6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 23.243 10.987 -7.049 1.00 0.00 H new ATOM 485 N PRO A 30 24.175 9.080 -0.146 1.00 0.00 N ATOM 486 CA PRO A 30 24.708 8.755 1.166 1.00 0.00 C ATOM 487 C PRO A 30 24.021 9.582 2.256 1.00 0.00 C ATOM 488 O PRO A 30 24.623 10.497 2.816 1.00 0.00 O ATOM 489 CB PRO A 30 26.199 9.028 1.064 1.00 0.00 C ATOM 490 CG PRO A 30 26.377 9.931 -0.146 1.00 0.00 C ATOM 491 CD PRO A 30 25.083 9.901 -0.942 1.00 0.00 C ATOM 0 HA PRO A 30 24.526 7.718 1.450 1.00 0.00 H new ATOM 0 HB2 PRO A 30 26.570 9.510 1.969 1.00 0.00 H new ATOM 0 HB3 PRO A 30 26.758 8.100 0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 30 26.609 10.949 0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 30 27.211 9.588 -0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 30 24.684 10.905 -1.087 1.00 0.00 H new ATOM 0 HD3 PRO A 30 25.238 9.473 -1.933 1.00 0.00 H new TER 499 PRO A 30