USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=5 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc=0.000346 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 75:sc= 0.446 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 90:sc= 1.12 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 -12.172 -2.887 -11.435 1.00 0.00 N ATOM 2 CA MET A 1 -11.460 -1.849 -10.711 1.00 0.00 C ATOM 3 C MET A 1 -11.956 -1.748 -9.267 1.00 0.00 C ATOM 4 O MET A 1 -12.945 -2.380 -8.901 1.00 0.00 O ATOM 5 CB MET A 1 -11.662 -0.505 -11.414 1.00 0.00 C ATOM 6 CG MET A 1 -10.320 0.186 -11.672 1.00 0.00 C ATOM 7 SD MET A 1 -10.547 1.955 -11.733 1.00 0.00 S ATOM 8 CE MET A 1 -11.267 2.119 -13.359 1.00 0.00 C ATOM 0 H1 MET A 1 -11.588 -3.219 -12.229 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.371 -3.682 -10.795 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.067 -2.504 -11.800 1.00 0.00 H new ATOM 0 HA MET A 1 -10.401 -2.106 -10.695 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.183 -0.659 -12.359 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.295 0.138 -10.802 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.612 -0.071 -10.884 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.894 -0.167 -12.611 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.473 3.170 -13.561 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.571 1.736 -14.105 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.196 1.551 -13.404 1.00 0.00 H new ATOM 18 N VAL A 2 -11.245 -0.949 -8.484 1.00 0.00 N ATOM 19 CA VAL A 2 -11.601 -0.758 -7.088 1.00 0.00 C ATOM 20 C VAL A 2 -13.111 -0.543 -6.977 1.00 0.00 C ATOM 21 O VAL A 2 -13.873 -1.505 -6.886 1.00 0.00 O ATOM 22 CB VAL A 2 -10.787 0.393 -6.494 1.00 0.00 C ATOM 23 CG1 VAL A 2 -10.587 1.511 -7.521 1.00 0.00 C ATOM 24 CG2 VAL A 2 -11.446 0.930 -5.221 1.00 0.00 C ATOM 0 H VAL A 2 -10.424 -0.427 -8.790 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.356 -1.646 -6.505 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.804 0.005 -6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.005 2.317 -7.073 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.055 1.118 -8.388 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.558 1.895 -7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.848 1.747 -4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.447 1.294 -5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.514 0.132 -4.482 1.00 0.00 H new ATOM 34 N LYS A 3 -13.498 0.724 -6.986 1.00 0.00 N ATOM 35 CA LYS A 3 -14.904 1.077 -6.886 1.00 0.00 C ATOM 36 C LYS A 3 -15.528 0.343 -5.698 1.00 0.00 C ATOM 37 O LYS A 3 -16.036 -0.768 -5.846 1.00 0.00 O ATOM 38 CB LYS A 3 -15.618 0.814 -8.214 1.00 0.00 C ATOM 39 CG LYS A 3 -16.374 2.058 -8.686 1.00 0.00 C ATOM 40 CD LYS A 3 -16.862 1.890 -10.127 1.00 0.00 C ATOM 41 CE LYS A 3 -18.350 1.533 -10.164 1.00 0.00 C ATOM 42 NZ LYS A 3 -18.824 1.438 -11.563 1.00 0.00 N ATOM 0 H LYS A 3 -12.863 1.519 -7.061 1.00 0.00 H new ATOM 0 HA LYS A 3 -15.015 2.144 -6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.890 0.518 -8.970 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.314 -0.017 -8.098 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.224 2.242 -8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.724 2.930 -8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.692 2.812 -10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -16.285 1.109 -10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -18.516 0.585 -9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.925 2.289 -9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.835 1.195 -11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.683 2.351 -12.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.287 0.701 -12.062 1.00 0.00 H new ATOM 55 N SER A 4 -15.468 0.993 -4.545 1.00 0.00 N ATOM 56 CA SER A 4 -16.019 0.414 -3.330 1.00 0.00 C ATOM 57 C SER A 4 -15.407 1.093 -2.103 1.00 0.00 C ATOM 58 O SER A 4 -16.030 1.145 -1.043 1.00 0.00 O ATOM 59 CB SER A 4 -15.777 -1.094 -3.279 1.00 0.00 C ATOM 60 OG SER A 4 -16.962 -1.835 -3.561 1.00 0.00 O ATOM 0 H SER A 4 -15.047 1.914 -4.426 1.00 0.00 H new ATOM 0 HA SER A 4 -17.096 0.581 -3.330 1.00 0.00 H new ATOM 0 HB2 SER A 4 -15.003 -1.361 -3.998 1.00 0.00 H new ATOM 0 HB3 SER A 4 -15.404 -1.368 -2.292 1.00 0.00 H new ATOM 0 HG SER A 4 -17.153 -1.794 -4.521 1.00 0.00 H new ATOM 66 N LYS A 5 -14.195 1.596 -2.288 1.00 0.00 N ATOM 67 CA LYS A 5 -13.492 2.268 -1.208 1.00 0.00 C ATOM 68 C LYS A 5 -12.590 3.356 -1.794 1.00 0.00 C ATOM 69 O LYS A 5 -11.415 3.113 -2.069 1.00 0.00 O ATOM 70 CB LYS A 5 -12.747 1.253 -0.340 1.00 0.00 C ATOM 71 CG LYS A 5 -13.728 0.346 0.406 1.00 0.00 C ATOM 72 CD LYS A 5 -14.544 1.142 1.426 1.00 0.00 C ATOM 73 CE LYS A 5 -14.451 0.512 2.817 1.00 0.00 C ATOM 74 NZ LYS A 5 -13.215 0.952 3.503 1.00 0.00 N ATOM 0 H LYS A 5 -13.682 1.552 -3.169 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.199 2.763 -0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.090 0.648 -0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.114 1.777 0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.399 -0.134 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.180 -0.448 0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.182 2.170 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.587 1.183 1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.322 0.793 3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.460 -0.575 2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.167 0.516 4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.386 0.663 2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.222 1.987 3.601 1.00 0.00 H new ATOM 87 N ILE A 6 -13.172 4.533 -1.968 1.00 0.00 N ATOM 88 CA ILE A 6 -12.435 5.660 -2.516 1.00 0.00 C ATOM 89 C ILE A 6 -11.025 5.678 -1.922 1.00 0.00 C ATOM 90 O ILE A 6 -10.079 5.199 -2.545 1.00 0.00 O ATOM 91 CB ILE A 6 -13.209 6.962 -2.302 1.00 0.00 C ATOM 92 CG1 ILE A 6 -13.966 6.938 -0.973 1.00 0.00 C ATOM 93 CG2 ILE A 6 -14.137 7.248 -3.484 1.00 0.00 C ATOM 94 CD1 ILE A 6 -13.812 8.268 -0.231 1.00 0.00 C ATOM 0 H ILE A 6 -14.146 4.731 -1.739 1.00 0.00 H new ATOM 0 HA ILE A 6 -12.326 5.555 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 6 -12.492 7.781 -2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -15.022 6.739 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.591 6.125 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -14.676 8.179 -3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -13.547 7.338 -4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -14.850 6.431 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -14.360 8.225 0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.757 8.452 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -14.210 9.076 -0.845 1.00 0.00 H new ATOM 106 N GLY A 7 -10.929 6.236 -0.724 1.00 0.00 N ATOM 107 CA GLY A 7 -9.651 6.323 -0.039 1.00 0.00 C ATOM 108 C GLY A 7 -8.839 5.039 -0.227 1.00 0.00 C ATOM 109 O GLY A 7 -7.772 5.059 -0.836 1.00 0.00 O ATOM 0 H GLY A 7 -11.716 6.632 -0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.087 7.174 -0.421 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.815 6.501 1.024 1.00 0.00 H new ATOM 113 N SER A 8 -9.379 3.953 0.308 1.00 0.00 N ATOM 114 CA SER A 8 -8.718 2.663 0.207 1.00 0.00 C ATOM 115 C SER A 8 -8.121 2.489 -1.191 1.00 0.00 C ATOM 116 O SER A 8 -7.110 1.808 -1.357 1.00 0.00 O ATOM 117 CB SER A 8 -9.689 1.522 0.515 1.00 0.00 C ATOM 118 OG SER A 8 -9.008 0.326 0.885 1.00 0.00 O ATOM 0 H SER A 8 -10.266 3.940 0.812 1.00 0.00 H new ATOM 0 HA SER A 8 -7.916 2.631 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.357 1.823 1.322 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.311 1.329 -0.359 1.00 0.00 H new ATOM 0 HG SER A 8 -9.663 -0.378 1.075 1.00 0.00 H new ATOM 124 N TRP A 9 -8.771 3.116 -2.160 1.00 0.00 N ATOM 125 CA TRP A 9 -8.316 3.039 -3.538 1.00 0.00 C ATOM 126 C TRP A 9 -7.065 3.909 -3.673 1.00 0.00 C ATOM 127 O TRP A 9 -6.024 3.439 -4.130 1.00 0.00 O ATOM 128 CB TRP A 9 -9.431 3.441 -4.506 1.00 0.00 C ATOM 129 CG TRP A 9 -9.162 4.747 -5.257 1.00 0.00 C ATOM 130 CD1 TRP A 9 -9.815 5.912 -5.145 1.00 0.00 C ATOM 131 CD2 TRP A 9 -8.136 4.975 -6.245 1.00 0.00 C ATOM 132 NE1 TRP A 9 -9.287 6.870 -5.986 1.00 0.00 N ATOM 133 CE2 TRP A 9 -8.233 6.282 -6.675 1.00 0.00 C ATOM 134 CE3 TRP A 9 -7.157 4.105 -6.758 1.00 0.00 C ATOM 135 CZ2 TRP A 9 -7.382 6.837 -7.639 1.00 0.00 C ATOM 136 CZ3 TRP A 9 -6.316 4.675 -7.720 1.00 0.00 C ATOM 137 CH2 TRP A 9 -6.400 5.989 -8.165 1.00 0.00 C ATOM 0 H TRP A 9 -9.609 3.680 -2.018 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.056 2.014 -3.802 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.575 2.640 -5.231 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.363 3.539 -3.950 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -10.649 6.080 -4.480 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.611 7.832 -6.084 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.062 3.079 -6.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -7.478 7.864 -7.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -5.547 4.049 -8.147 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -5.711 6.354 -8.913 1.00 0.00 H new ATOM 148 N ILE A 10 -7.208 5.162 -3.266 1.00 0.00 N ATOM 149 CA ILE A 10 -6.102 6.101 -3.335 1.00 0.00 C ATOM 150 C ILE A 10 -4.861 5.469 -2.702 1.00 0.00 C ATOM 151 O ILE A 10 -3.754 5.616 -3.217 1.00 0.00 O ATOM 152 CB ILE A 10 -6.497 7.441 -2.710 1.00 0.00 C ATOM 153 CG1 ILE A 10 -7.300 8.291 -3.697 1.00 0.00 C ATOM 154 CG2 ILE A 10 -5.267 8.184 -2.182 1.00 0.00 C ATOM 155 CD1 ILE A 10 -6.373 9.047 -4.650 1.00 0.00 C ATOM 0 H ILE A 10 -8.073 5.548 -2.888 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.853 6.321 -4.373 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.144 7.242 -1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.973 7.652 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.922 9.000 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.576 9.133 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.773 7.577 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.575 8.372 -3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.969 9.643 -5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.718 9.703 -4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.770 8.334 -5.213 1.00 0.00 H new ATOM 167 N LEU A 11 -5.087 4.780 -1.594 1.00 0.00 N ATOM 168 CA LEU A 11 -4.001 4.125 -0.884 1.00 0.00 C ATOM 169 C LEU A 11 -3.345 3.094 -1.806 1.00 0.00 C ATOM 170 O LEU A 11 -2.129 3.106 -1.990 1.00 0.00 O ATOM 171 CB LEU A 11 -4.500 3.539 0.438 1.00 0.00 C ATOM 172 CG LEU A 11 -4.091 4.295 1.704 1.00 0.00 C ATOM 173 CD1 LEU A 11 -2.568 4.351 1.840 1.00 0.00 C ATOM 174 CD2 LEU A 11 -4.722 5.688 1.738 1.00 0.00 C ATOM 0 H LEU A 11 -6.007 4.661 -1.170 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.231 4.848 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.588 3.491 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.138 2.514 0.518 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.471 3.749 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.303 4.894 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.170 3.338 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.144 4.862 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.415 6.204 2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.393 6.258 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.808 5.596 1.721 1.00 0.00 H new ATOM 186 N VAL A 12 -4.179 2.226 -2.359 1.00 0.00 N ATOM 187 CA VAL A 12 -3.696 1.191 -3.255 1.00 0.00 C ATOM 188 C VAL A 12 -2.991 1.842 -4.447 1.00 0.00 C ATOM 189 O VAL A 12 -2.194 1.200 -5.129 1.00 0.00 O ATOM 190 CB VAL A 12 -4.851 0.277 -3.671 1.00 0.00 C ATOM 191 CG1 VAL A 12 -4.405 -0.715 -4.747 1.00 0.00 C ATOM 192 CG2 VAL A 12 -5.434 -0.454 -2.460 1.00 0.00 C ATOM 0 H VAL A 12 -5.187 2.219 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.965 0.560 -2.749 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.636 0.902 -4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.244 -1.352 -5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.058 -0.169 -5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.594 -1.332 -4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.253 -1.097 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.658 -1.061 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.807 0.275 -1.740 1.00 0.00 H new ATOM 202 N LEU A 13 -3.310 3.110 -4.662 1.00 0.00 N ATOM 203 CA LEU A 13 -2.718 3.855 -5.759 1.00 0.00 C ATOM 204 C LEU A 13 -1.283 4.241 -5.393 1.00 0.00 C ATOM 205 O LEU A 13 -0.350 3.961 -6.144 1.00 0.00 O ATOM 206 CB LEU A 13 -3.599 5.050 -6.134 1.00 0.00 C ATOM 207 CG LEU A 13 -2.902 6.411 -6.171 1.00 0.00 C ATOM 208 CD1 LEU A 13 -1.799 6.433 -7.232 1.00 0.00 C ATOM 209 CD2 LEU A 13 -3.915 7.539 -6.374 1.00 0.00 C ATOM 0 H LEU A 13 -3.971 3.640 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.664 3.235 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.036 4.861 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.424 5.105 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.424 6.577 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.319 7.412 -7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.058 5.667 -7.003 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.233 6.236 -8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.394 8.496 -6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.441 7.390 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.632 7.536 -5.553 1.00 0.00 H new ATOM 221 N PHE A 14 -1.152 4.877 -4.238 1.00 0.00 N ATOM 222 CA PHE A 14 0.152 5.303 -3.763 1.00 0.00 C ATOM 223 C PHE A 14 1.101 4.111 -3.621 1.00 0.00 C ATOM 224 O PHE A 14 2.271 4.196 -3.991 1.00 0.00 O ATOM 225 CB PHE A 14 -0.058 5.938 -2.387 1.00 0.00 C ATOM 226 CG PHE A 14 -0.960 7.174 -2.403 1.00 0.00 C ATOM 227 CD1 PHE A 14 -0.940 8.016 -3.471 1.00 0.00 C ATOM 228 CD2 PHE A 14 -1.781 7.430 -1.350 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.778 9.163 -3.487 1.00 0.00 C ATOM 230 CE2 PHE A 14 -2.619 8.577 -1.365 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.600 9.419 -2.433 1.00 0.00 C ATOM 0 H PHE A 14 -1.928 5.107 -3.618 1.00 0.00 H new ATOM 0 HA PHE A 14 0.594 6.003 -4.471 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.490 5.194 -1.717 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.912 6.214 -1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.287 7.813 -4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.796 6.761 -0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.763 9.831 -4.335 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.271 8.780 -0.528 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.237 10.291 -2.445 1.00 0.00 H new ATOM 241 N VAL A 15 0.562 3.027 -3.084 1.00 0.00 N ATOM 242 CA VAL A 15 1.344 1.818 -2.889 1.00 0.00 C ATOM 243 C VAL A 15 1.637 1.180 -4.248 1.00 0.00 C ATOM 244 O VAL A 15 2.542 0.355 -4.369 1.00 0.00 O ATOM 245 CB VAL A 15 0.618 0.874 -1.929 1.00 0.00 C ATOM 246 CG1 VAL A 15 0.221 1.599 -0.642 1.00 0.00 C ATOM 247 CG2 VAL A 15 -0.601 0.241 -2.600 1.00 0.00 C ATOM 0 H VAL A 15 -0.409 2.960 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 15 2.303 2.054 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 15 1.307 0.073 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.293 0.905 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.115 1.979 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.442 2.430 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.099 -0.426 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.293 1.024 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.281 -0.327 -3.473 1.00 0.00 H new ATOM 257 N ALA A 16 0.855 1.587 -5.237 1.00 0.00 N ATOM 258 CA ALA A 16 1.019 1.065 -6.584 1.00 0.00 C ATOM 259 C ALA A 16 2.094 1.875 -7.312 1.00 0.00 C ATOM 260 O ALA A 16 2.917 1.312 -8.033 1.00 0.00 O ATOM 261 CB ALA A 16 -0.327 1.096 -7.310 1.00 0.00 C ATOM 0 H ALA A 16 0.106 2.272 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 16 1.351 0.027 -6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.205 0.705 -8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.047 0.483 -6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.690 2.123 -7.360 1.00 0.00 H new ATOM 267 N MET A 17 2.053 3.181 -7.098 1.00 0.00 N ATOM 268 CA MET A 17 3.013 4.073 -7.725 1.00 0.00 C ATOM 269 C MET A 17 4.435 3.771 -7.248 1.00 0.00 C ATOM 270 O MET A 17 5.386 3.855 -8.024 1.00 0.00 O ATOM 271 CB MET A 17 2.659 5.523 -7.388 1.00 0.00 C ATOM 272 CG MET A 17 2.828 6.427 -8.612 1.00 0.00 C ATOM 273 SD MET A 17 1.306 6.483 -9.543 1.00 0.00 S ATOM 274 CE MET A 17 0.898 8.212 -9.365 1.00 0.00 C ATOM 0 H MET A 17 1.369 3.644 -6.499 1.00 0.00 H new ATOM 0 HA MET A 17 2.971 3.921 -8.803 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.631 5.577 -7.031 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.296 5.878 -6.578 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.108 7.432 -8.296 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.636 6.054 -9.242 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.033 8.422 -9.891 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.780 8.451 -8.308 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.698 8.820 -9.787 1.00 0.00 H new ATOM 284 N TRP A 18 4.537 3.424 -5.973 1.00 0.00 N ATOM 285 CA TRP A 18 5.826 3.109 -5.384 1.00 0.00 C ATOM 286 C TRP A 18 6.276 1.752 -5.928 1.00 0.00 C ATOM 287 O TRP A 18 7.391 1.619 -6.430 1.00 0.00 O ATOM 288 CB TRP A 18 5.754 3.145 -3.855 1.00 0.00 C ATOM 289 CG TRP A 18 5.127 4.421 -3.292 1.00 0.00 C ATOM 290 CD1 TRP A 18 5.255 5.675 -3.749 1.00 0.00 C ATOM 291 CD2 TRP A 18 4.263 4.520 -2.140 1.00 0.00 C ATOM 292 NE1 TRP A 18 4.539 6.570 -2.979 1.00 0.00 N ATOM 293 CE2 TRP A 18 3.917 5.845 -1.970 1.00 0.00 C ATOM 294 CE3 TRP A 18 3.789 3.521 -1.271 1.00 0.00 C ATOM 295 CZ2 TRP A 18 3.083 6.293 -0.938 1.00 0.00 C ATOM 296 CZ3 TRP A 18 2.957 3.985 -0.244 1.00 0.00 C ATOM 297 CH2 TRP A 18 2.600 5.316 -0.060 1.00 0.00 C ATOM 0 H TRP A 18 3.747 3.354 -5.332 1.00 0.00 H new ATOM 0 HA TRP A 18 6.568 3.858 -5.659 1.00 0.00 H new ATOM 0 HB2 TRP A 18 5.179 2.286 -3.508 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.761 3.038 -3.451 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.844 5.950 -4.611 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.478 7.578 -3.124 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.046 2.478 -1.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 2.826 7.336 -0.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.566 3.259 0.453 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.952 5.595 0.758 1.00 0.00 H new ATOM 308 N SER A 19 5.386 0.778 -5.812 1.00 0.00 N ATOM 309 CA SER A 19 5.677 -0.563 -6.287 1.00 0.00 C ATOM 310 C SER A 19 6.066 -0.523 -7.766 1.00 0.00 C ATOM 311 O SER A 19 6.723 -1.435 -8.265 1.00 0.00 O ATOM 312 CB SER A 19 4.481 -1.494 -6.078 1.00 0.00 C ATOM 313 OG SER A 19 4.249 -1.765 -4.699 1.00 0.00 O ATOM 0 H SER A 19 4.462 0.891 -5.395 1.00 0.00 H new ATOM 0 HA SER A 19 6.514 -0.955 -5.709 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.590 -1.042 -6.513 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.654 -2.431 -6.607 1.00 0.00 H new ATOM 0 HG SER A 19 3.631 -1.098 -4.334 1.00 0.00 H new ATOM 319 N ASP A 20 5.644 0.546 -8.427 1.00 0.00 N ATOM 320 CA ASP A 20 5.939 0.719 -9.838 1.00 0.00 C ATOM 321 C ASP A 20 7.388 1.184 -9.998 1.00 0.00 C ATOM 322 O ASP A 20 8.111 0.690 -10.861 1.00 0.00 O ATOM 323 CB ASP A 20 5.030 1.777 -10.467 1.00 0.00 C ATOM 324 CG ASP A 20 3.873 1.222 -11.300 1.00 0.00 C ATOM 325 OD1 ASP A 20 2.953 0.582 -10.768 1.00 0.00 O ATOM 326 OD2 ASP A 20 3.941 1.475 -12.563 1.00 0.00 O ATOM 0 H ASP A 20 5.100 1.301 -8.010 1.00 0.00 H new ATOM 0 HA ASP A 20 5.776 -0.237 -10.336 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.620 2.401 -9.673 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.636 2.425 -11.100 1.00 0.00 H new ATOM 332 N VAL A 21 7.768 2.132 -9.153 1.00 0.00 N ATOM 333 CA VAL A 21 9.117 2.670 -9.190 1.00 0.00 C ATOM 334 C VAL A 21 10.114 1.560 -8.854 1.00 0.00 C ATOM 335 O VAL A 21 11.282 1.634 -9.234 1.00 0.00 O ATOM 336 CB VAL A 21 9.226 3.875 -8.252 1.00 0.00 C ATOM 337 CG1 VAL A 21 10.669 4.373 -8.166 1.00 0.00 C ATOM 338 CG2 VAL A 21 8.282 4.997 -8.689 1.00 0.00 C ATOM 0 H VAL A 21 7.165 2.541 -8.439 1.00 0.00 H new ATOM 0 HA VAL A 21 9.357 3.030 -10.190 1.00 0.00 H new ATOM 0 HB VAL A 21 8.924 3.553 -7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.719 5.229 -7.493 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.307 3.575 -7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.011 4.670 -9.157 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.379 5.841 -8.006 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.539 5.316 -9.699 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.254 4.634 -8.674 1.00 0.00 H new ATOM 348 N GLY A 22 9.617 0.555 -8.147 1.00 0.00 N ATOM 349 CA GLY A 22 10.450 -0.569 -7.756 1.00 0.00 C ATOM 350 C GLY A 22 10.181 -1.785 -8.645 1.00 0.00 C ATOM 351 O GLY A 22 10.058 -2.905 -8.150 1.00 0.00 O ATOM 0 H GLY A 22 8.648 0.496 -7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.501 -0.289 -7.825 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.256 -0.825 -6.714 1.00 0.00 H new ATOM 355 N LEU A 23 10.097 -1.524 -9.942 1.00 0.00 N ATOM 356 CA LEU A 23 9.845 -2.584 -10.903 1.00 0.00 C ATOM 357 C LEU A 23 10.427 -2.184 -12.261 1.00 0.00 C ATOM 358 O LEU A 23 11.107 -2.980 -12.907 1.00 0.00 O ATOM 359 CB LEU A 23 8.353 -2.922 -10.949 1.00 0.00 C ATOM 360 CG LEU A 23 8.005 -4.383 -11.238 1.00 0.00 C ATOM 361 CD1 LEU A 23 6.923 -4.888 -10.281 1.00 0.00 C ATOM 362 CD2 LEU A 23 7.608 -4.574 -12.702 1.00 0.00 C ATOM 0 H LEU A 23 10.199 -0.594 -10.349 1.00 0.00 H new ATOM 0 HA LEU A 23 10.347 -3.502 -10.598 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.909 -2.646 -9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.883 -2.300 -11.711 1.00 0.00 H new ATOM 0 HG LEU A 23 8.896 -4.986 -11.065 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.694 -5.929 -10.508 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.280 -4.810 -9.254 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.023 -4.285 -10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.366 -5.622 -12.880 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.738 -3.957 -12.926 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.437 -4.279 -13.345 1.00 0.00 H new ATOM 374 N CYS A 24 10.139 -0.952 -12.652 1.00 0.00 N ATOM 375 CA CYS A 24 10.625 -0.437 -13.921 1.00 0.00 C ATOM 376 C CYS A 24 12.142 -0.259 -13.817 1.00 0.00 C ATOM 377 O CYS A 24 12.837 -0.226 -14.832 1.00 0.00 O ATOM 378 CB CYS A 24 9.923 0.866 -14.309 1.00 0.00 C ATOM 379 SG CYS A 24 8.412 0.498 -15.275 1.00 0.00 S ATOM 0 H CYS A 24 9.575 -0.295 -12.113 1.00 0.00 H new ATOM 0 HA CYS A 24 10.396 -1.147 -14.716 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.664 1.430 -13.413 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.596 1.491 -14.895 1.00 0.00 H new ATOM 0 HG CYS A 24 7.822 1.610 -15.598 1.00 0.00 H new ATOM 385 N LYS A 25 12.609 -0.149 -12.583 1.00 0.00 N ATOM 386 CA LYS A 25 14.031 0.025 -12.333 1.00 0.00 C ATOM 387 C LYS A 25 14.543 -1.145 -11.491 1.00 0.00 C ATOM 388 O LYS A 25 15.295 -0.946 -10.539 1.00 0.00 O ATOM 389 CB LYS A 25 14.302 1.396 -11.712 1.00 0.00 C ATOM 390 CG LYS A 25 15.566 2.025 -12.300 1.00 0.00 C ATOM 391 CD LYS A 25 15.214 3.067 -13.365 1.00 0.00 C ATOM 392 CE LYS A 25 15.994 4.364 -13.139 1.00 0.00 C ATOM 393 NZ LYS A 25 15.588 5.390 -14.127 1.00 0.00 N ATOM 0 H LYS A 25 12.029 -0.177 -11.745 1.00 0.00 H new ATOM 0 HA LYS A 25 14.587 0.011 -13.270 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.450 2.053 -11.887 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.411 1.295 -10.632 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.147 2.493 -11.506 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.193 1.249 -12.738 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.439 2.671 -14.355 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.144 3.272 -13.339 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.815 4.732 -12.129 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.064 4.172 -13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.126 6.264 -13.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.781 5.042 -15.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.571 5.585 -14.027 1.00 0.00 H new ATOM 406 N LYS A 26 14.115 -2.339 -11.873 1.00 0.00 N ATOM 407 CA LYS A 26 14.521 -3.542 -11.164 1.00 0.00 C ATOM 408 C LYS A 26 15.055 -4.564 -12.168 1.00 0.00 C ATOM 409 O LYS A 26 16.177 -4.433 -12.656 1.00 0.00 O ATOM 410 CB LYS A 26 13.373 -4.069 -10.301 1.00 0.00 C ATOM 411 CG LYS A 26 13.787 -5.338 -9.553 1.00 0.00 C ATOM 412 CD LYS A 26 14.508 -4.994 -8.248 1.00 0.00 C ATOM 413 CE LYS A 26 14.630 -6.225 -7.349 1.00 0.00 C ATOM 414 NZ LYS A 26 15.906 -6.195 -6.598 1.00 0.00 N ATOM 0 H LYS A 26 13.491 -2.500 -12.664 1.00 0.00 H new ATOM 0 HA LYS A 26 15.333 -3.320 -10.472 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.070 -3.304 -9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.508 -4.279 -10.930 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.905 -5.941 -9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.439 -5.941 -10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.500 -4.601 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.964 -4.209 -7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.792 -6.258 -6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.578 -7.131 -7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.972 -7.038 -5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.702 -6.185 -7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.941 -5.340 -6.006 1.00 0.00 H new ATOM 427 N ARG A 27 14.227 -5.560 -12.448 1.00 0.00 N ATOM 428 CA ARG A 27 14.602 -6.604 -13.386 1.00 0.00 C ATOM 429 C ARG A 27 15.387 -6.010 -14.556 1.00 0.00 C ATOM 430 O ARG A 27 14.799 -5.466 -15.490 1.00 0.00 O ATOM 431 CB ARG A 27 13.368 -7.330 -13.924 1.00 0.00 C ATOM 432 CG ARG A 27 13.737 -8.712 -14.467 1.00 0.00 C ATOM 433 CD ARG A 27 12.601 -9.712 -14.241 1.00 0.00 C ATOM 434 NE ARG A 27 12.555 -10.113 -12.817 1.00 0.00 N ATOM 435 CZ ARG A 27 11.708 -11.038 -12.318 1.00 0.00 C ATOM 436 NH1 ARG A 27 10.827 -11.667 -13.126 1.00 0.00 N ATOM 437 NH2 ARG A 27 11.753 -11.319 -11.030 1.00 0.00 N ATOM 0 H ARG A 27 13.298 -5.666 -12.041 1.00 0.00 H new ATOM 0 HA ARG A 27 15.227 -7.320 -12.852 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.628 -7.433 -13.131 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.908 -6.736 -14.714 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.957 -8.641 -15.532 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.643 -9.069 -13.977 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.650 -9.266 -14.533 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.748 -10.590 -14.870 1.00 0.00 H new ATOM 0 HE ARG A 27 13.204 -9.662 -12.172 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.798 -11.444 -14.121 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.190 -12.365 -12.741 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.421 -10.840 -10.426 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.120 -12.016 -10.638 1.00 0.00 H new ATOM 450 N PRO A 28 16.738 -6.137 -14.466 1.00 0.00 N ATOM 451 CA PRO A 28 17.610 -5.618 -15.506 1.00 0.00 C ATOM 452 C PRO A 28 17.575 -6.512 -16.747 1.00 0.00 C ATOM 453 O PRO A 28 17.612 -7.737 -16.636 1.00 0.00 O ATOM 454 CB PRO A 28 18.987 -5.545 -14.866 1.00 0.00 C ATOM 455 CG PRO A 28 18.929 -6.455 -13.650 1.00 0.00 C ATOM 456 CD PRO A 28 17.469 -6.774 -13.374 1.00 0.00 C ATOM 0 HA PRO A 28 17.299 -4.636 -15.864 1.00 0.00 H new ATOM 0 HB2 PRO A 28 19.759 -5.872 -15.562 1.00 0.00 H new ATOM 0 HB3 PRO A 28 19.230 -4.522 -14.578 1.00 0.00 H new ATOM 0 HG2 PRO A 28 19.492 -7.371 -13.832 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.383 -5.968 -12.787 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.295 -7.850 -13.356 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.154 -6.384 -12.406 1.00 0.00 H new ATOM 464 N LYS A 29 17.503 -5.866 -17.902 1.00 0.00 N ATOM 465 CA LYS A 29 17.462 -6.588 -19.162 1.00 0.00 C ATOM 466 C LYS A 29 18.813 -7.265 -19.401 1.00 0.00 C ATOM 467 O LYS A 29 18.873 -8.470 -19.642 1.00 0.00 O ATOM 468 CB LYS A 29 17.032 -5.658 -20.298 1.00 0.00 C ATOM 469 CG LYS A 29 15.792 -6.202 -21.012 1.00 0.00 C ATOM 470 CD LYS A 29 16.186 -7.140 -22.155 1.00 0.00 C ATOM 471 CE LYS A 29 15.277 -6.936 -23.369 1.00 0.00 C ATOM 472 NZ LYS A 29 16.081 -6.617 -24.570 1.00 0.00 N ATOM 0 H LYS A 29 17.472 -4.850 -17.991 1.00 0.00 H new ATOM 0 HA LYS A 29 16.711 -7.377 -19.124 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.821 -4.665 -19.900 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.848 -5.548 -21.012 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.162 -6.735 -20.300 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.201 -5.374 -21.403 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.223 -6.959 -22.438 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.123 -8.175 -21.819 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.689 -7.837 -23.546 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.572 -6.129 -23.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.449 -6.482 -25.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.623 -5.745 -24.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.737 -7.400 -24.767 1.00 0.00 H new ATOM 485 N PRO A 30 19.892 -6.441 -19.323 1.00 0.00 N ATOM 486 CA PRO A 30 21.238 -6.948 -19.527 1.00 0.00 C ATOM 487 C PRO A 30 21.715 -7.743 -18.312 1.00 0.00 C ATOM 488 O PRO A 30 22.908 -8.007 -18.166 1.00 0.00 O ATOM 489 CB PRO A 30 22.085 -5.716 -19.801 1.00 0.00 C ATOM 490 CG PRO A 30 21.281 -4.534 -19.283 1.00 0.00 C ATOM 491 CD PRO A 30 19.858 -5.009 -19.039 1.00 0.00 C ATOM 0 HA PRO A 30 21.301 -7.651 -20.357 1.00 0.00 H new ATOM 0 HB2 PRO A 30 23.049 -5.784 -19.296 1.00 0.00 H new ATOM 0 HB3 PRO A 30 22.290 -5.612 -20.866 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.718 -4.149 -18.362 1.00 0.00 H new ATOM 0 HG3 PRO A 30 21.292 -3.718 -20.006 1.00 0.00 H new ATOM 0 HD2 PRO A 30 19.547 -4.816 -18.012 1.00 0.00 H new ATOM 0 HD3 PRO A 30 19.151 -4.493 -19.689 1.00 0.00 H new TER 499 PRO A 30