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+ 142:sc= -0.238 (180deg=-1.88!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 74:sc= 0.0384 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 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 -9.221 -3.073 -5.756 1.00 0.00 N ATOM 2 CA MET A 1 -9.900 -1.926 -6.333 1.00 0.00 C ATOM 3 C MET A 1 -11.401 -2.187 -6.467 1.00 0.00 C ATOM 4 O MET A 1 -11.812 -3.161 -7.095 1.00 0.00 O ATOM 5 CB MET A 1 -9.310 -1.625 -7.713 1.00 0.00 C ATOM 6 CG MET A 1 -9.285 -2.881 -8.585 1.00 0.00 C ATOM 7 SD MET A 1 -7.670 -3.085 -9.318 1.00 0.00 S ATOM 8 CE MET A 1 -7.741 -4.815 -9.749 1.00 0.00 C ATOM 0 H1 MET A 1 -8.297 -3.197 -6.216 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.082 -2.918 -4.737 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.797 -3.927 -5.901 1.00 0.00 H new ATOM 0 HA MET A 1 -9.756 -1.072 -5.671 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.899 -0.850 -8.203 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.298 -1.235 -7.602 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.534 -3.756 -7.984 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.041 -2.806 -9.367 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.804 -5.111 -10.221 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.896 -5.408 -8.848 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.566 -4.984 -10.441 1.00 0.00 H new ATOM 18 N VAL A 2 -12.180 -1.298 -5.866 1.00 0.00 N ATOM 19 CA VAL A 2 -13.627 -1.421 -5.910 1.00 0.00 C ATOM 20 C VAL A 2 -14.233 -0.092 -6.366 1.00 0.00 C ATOM 21 O VAL A 2 -13.517 0.793 -6.831 1.00 0.00 O ATOM 22 CB VAL A 2 -14.155 -1.883 -4.550 1.00 0.00 C ATOM 23 CG1 VAL A 2 -13.611 -3.268 -4.193 1.00 0.00 C ATOM 24 CG2 VAL A 2 -13.821 -0.865 -3.458 1.00 0.00 C ATOM 0 H VAL A 2 -11.836 -0.490 -5.347 1.00 0.00 H new ATOM 0 HA VAL A 2 -13.924 -2.180 -6.634 1.00 0.00 H new ATOM 0 HB VAL A 2 -15.240 -1.957 -4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.001 -3.573 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.921 -3.987 -4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.522 -3.232 -4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.207 -1.217 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.740 -0.745 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -14.278 0.094 -3.703 1.00 0.00 H new ATOM 34 N LYS A 3 -15.546 0.005 -6.217 1.00 0.00 N ATOM 35 CA LYS A 3 -16.256 1.210 -6.609 1.00 0.00 C ATOM 36 C LYS A 3 -17.081 1.718 -5.424 1.00 0.00 C ATOM 37 O LYS A 3 -18.301 1.569 -5.403 1.00 0.00 O ATOM 38 CB LYS A 3 -17.084 0.959 -7.870 1.00 0.00 C ATOM 39 CG LYS A 3 -16.381 1.524 -9.107 1.00 0.00 C ATOM 40 CD LYS A 3 -16.339 0.489 -10.234 1.00 0.00 C ATOM 41 CE LYS A 3 -14.974 0.486 -10.925 1.00 0.00 C ATOM 42 NZ LYS A 3 -15.053 1.178 -12.231 1.00 0.00 N ATOM 0 H LYS A 3 -16.136 -0.731 -5.830 1.00 0.00 H new ATOM 0 HA LYS A 3 -15.551 1.999 -6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.246 -0.111 -7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -18.066 1.420 -7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -16.902 2.418 -9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.366 1.826 -8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.549 -0.502 -9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.119 0.708 -10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.237 0.978 -10.290 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -14.635 -0.540 -11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.118 1.167 -12.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.741 0.692 -12.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.355 2.162 -12.085 1.00 0.00 H new ATOM 55 N SER A 4 -16.381 2.308 -4.466 1.00 0.00 N ATOM 56 CA SER A 4 -17.032 2.839 -3.281 1.00 0.00 C ATOM 57 C SER A 4 -15.992 3.129 -2.197 1.00 0.00 C ATOM 58 O SER A 4 -16.176 4.031 -1.381 1.00 0.00 O ATOM 59 CB SER A 4 -18.091 1.868 -2.754 1.00 0.00 C ATOM 60 OG SER A 4 -19.406 2.409 -2.850 1.00 0.00 O ATOM 0 H SER A 4 -15.369 2.430 -4.487 1.00 0.00 H new ATOM 0 HA SER A 4 -17.532 3.769 -3.553 1.00 0.00 H new ATOM 0 HB2 SER A 4 -18.040 0.936 -3.317 1.00 0.00 H new ATOM 0 HB3 SER A 4 -17.874 1.624 -1.714 1.00 0.00 H new ATOM 0 HG SER A 4 -19.697 2.397 -3.786 1.00 0.00 H new ATOM 66 N LYS A 5 -14.922 2.349 -2.224 1.00 0.00 N ATOM 67 CA LYS A 5 -13.852 2.512 -1.255 1.00 0.00 C ATOM 68 C LYS A 5 -12.712 3.311 -1.889 1.00 0.00 C ATOM 69 O LYS A 5 -11.568 2.861 -1.906 1.00 0.00 O ATOM 70 CB LYS A 5 -13.417 1.152 -0.705 1.00 0.00 C ATOM 71 CG LYS A 5 -13.785 1.016 0.775 1.00 0.00 C ATOM 72 CD LYS A 5 -13.076 -0.182 1.409 1.00 0.00 C ATOM 73 CE LYS A 5 -14.072 -1.292 1.752 1.00 0.00 C ATOM 74 NZ LYS A 5 -14.225 -1.416 3.218 1.00 0.00 N ATOM 0 H LYS A 5 -14.773 1.602 -2.902 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.201 3.083 -0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.893 0.355 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.341 1.033 -0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.512 1.928 1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.864 0.899 0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.320 -0.566 0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.555 0.136 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.038 -1.075 1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.728 -2.239 1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.904 -2.174 3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.305 -1.644 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.574 -0.517 3.608 1.00 0.00 H new ATOM 87 N ILE A 6 -13.064 4.485 -2.393 1.00 0.00 N ATOM 88 CA ILE A 6 -12.085 5.352 -3.026 1.00 0.00 C ATOM 89 C ILE A 6 -10.886 5.526 -2.092 1.00 0.00 C ATOM 90 O ILE A 6 -9.787 5.847 -2.541 1.00 0.00 O ATOM 91 CB ILE A 6 -12.732 6.672 -3.448 1.00 0.00 C ATOM 92 CG1 ILE A 6 -13.669 6.468 -4.640 1.00 0.00 C ATOM 93 CG2 ILE A 6 -11.671 7.738 -3.729 1.00 0.00 C ATOM 94 CD1 ILE A 6 -14.773 7.527 -4.660 1.00 0.00 C ATOM 0 H ILE A 6 -14.014 4.856 -2.376 1.00 0.00 H new ATOM 0 HA ILE A 6 -11.712 4.899 -3.944 1.00 0.00 H new ATOM 0 HB ILE A 6 -13.340 7.034 -2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -13.098 6.516 -5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.115 5.474 -4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -12.158 8.666 -4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -11.081 7.910 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -11.017 7.398 -4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -15.424 7.358 -5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -15.357 7.461 -3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -14.325 8.518 -4.734 1.00 0.00 H new ATOM 106 N GLY A 7 -11.137 5.306 -0.810 1.00 0.00 N ATOM 107 CA GLY A 7 -10.092 5.434 0.190 1.00 0.00 C ATOM 108 C GLY A 7 -8.980 4.408 -0.044 1.00 0.00 C ATOM 109 O GLY A 7 -7.814 4.774 -0.188 1.00 0.00 O ATOM 0 H GLY A 7 -12.050 5.040 -0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.675 6.441 0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.516 5.295 1.184 1.00 0.00 H new ATOM 113 N SER A 8 -9.380 3.146 -0.073 1.00 0.00 N ATOM 114 CA SER A 8 -8.432 2.065 -0.287 1.00 0.00 C ATOM 115 C SER A 8 -7.859 2.145 -1.703 1.00 0.00 C ATOM 116 O SER A 8 -6.829 1.539 -1.995 1.00 0.00 O ATOM 117 CB SER A 8 -9.089 0.703 -0.057 1.00 0.00 C ATOM 118 OG SER A 8 -8.323 -0.117 0.820 1.00 0.00 O ATOM 0 H SER A 8 -10.348 2.847 0.048 1.00 0.00 H new ATOM 0 HA SER A 8 -7.621 2.173 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.086 0.847 0.360 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.213 0.194 -1.013 1.00 0.00 H new ATOM 0 HG SER A 8 -8.776 -0.977 0.943 1.00 0.00 H new ATOM 124 N TRP A 9 -8.552 2.897 -2.547 1.00 0.00 N ATOM 125 CA TRP A 9 -8.124 3.064 -3.926 1.00 0.00 C ATOM 126 C TRP A 9 -6.878 3.951 -3.930 1.00 0.00 C ATOM 127 O TRP A 9 -5.776 3.478 -4.207 1.00 0.00 O ATOM 128 CB TRP A 9 -9.259 3.621 -4.788 1.00 0.00 C ATOM 129 CG TRP A 9 -8.812 4.099 -6.170 1.00 0.00 C ATOM 130 CD1 TRP A 9 -8.718 5.359 -6.617 1.00 0.00 C ATOM 131 CD2 TRP A 9 -8.400 3.268 -7.276 1.00 0.00 C ATOM 132 NE1 TRP A 9 -8.277 5.400 -7.925 1.00 0.00 N ATOM 133 CE2 TRP A 9 -8.077 4.088 -8.337 1.00 0.00 C ATOM 134 CE3 TRP A 9 -8.302 1.868 -7.375 1.00 0.00 C ATOM 135 CZ2 TRP A 9 -7.636 3.603 -9.574 1.00 0.00 C ATOM 136 CZ3 TRP A 9 -7.859 1.400 -8.618 1.00 0.00 C ATOM 137 CH2 TRP A 9 -7.531 2.212 -9.697 1.00 0.00 C ATOM 0 H TRP A 9 -9.407 3.397 -2.302 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.867 2.102 -4.370 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -10.021 2.851 -4.910 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.728 4.452 -4.261 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.957 6.232 -6.028 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -8.126 6.239 -8.485 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -8.549 1.207 -6.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -7.390 4.266 -10.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -7.766 0.332 -8.747 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -7.197 1.773 -10.625 1.00 0.00 H new ATOM 148 N ILE A 10 -7.094 5.220 -3.622 1.00 0.00 N ATOM 149 CA ILE A 10 -6.002 6.178 -3.586 1.00 0.00 C ATOM 150 C ILE A 10 -4.829 5.581 -2.807 1.00 0.00 C ATOM 151 O ILE A 10 -3.671 5.780 -3.170 1.00 0.00 O ATOM 152 CB ILE A 10 -6.485 7.522 -3.037 1.00 0.00 C ATOM 153 CG1 ILE A 10 -7.149 8.357 -4.134 1.00 0.00 C ATOM 154 CG2 ILE A 10 -5.342 8.278 -2.354 1.00 0.00 C ATOM 155 CD1 ILE A 10 -6.100 9.036 -5.017 1.00 0.00 C ATOM 0 H ILE A 10 -8.009 5.608 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.643 6.383 -4.595 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.243 7.328 -2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.787 7.719 -4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.793 9.112 -3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.712 9.230 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.954 7.682 -1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.545 8.461 -3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.599 9.623 -5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.480 9.692 -4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.473 8.278 -5.486 1.00 0.00 H new ATOM 167 N LEU A 11 -5.170 4.858 -1.749 1.00 0.00 N ATOM 168 CA LEU A 11 -4.161 4.229 -0.915 1.00 0.00 C ATOM 169 C LEU A 11 -3.447 3.139 -1.718 1.00 0.00 C ATOM 170 O LEU A 11 -2.220 3.117 -1.787 1.00 0.00 O ATOM 171 CB LEU A 11 -4.781 3.726 0.390 1.00 0.00 C ATOM 172 CG LEU A 11 -4.146 4.248 1.680 1.00 0.00 C ATOM 173 CD1 LEU A 11 -2.706 3.750 1.823 1.00 0.00 C ATOM 174 CD2 LEU A 11 -4.236 5.774 1.756 1.00 0.00 C ATOM 0 H LEU A 11 -6.132 4.694 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.404 4.956 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.837 3.995 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.729 2.637 0.398 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.709 3.850 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.278 4.136 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.698 2.660 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.115 4.099 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.778 6.120 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.712 6.212 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.282 6.078 1.733 1.00 0.00 H new ATOM 186 N VAL A 12 -4.249 2.262 -2.305 1.00 0.00 N ATOM 187 CA VAL A 12 -3.711 1.172 -3.101 1.00 0.00 C ATOM 188 C VAL A 12 -2.934 1.747 -4.286 1.00 0.00 C ATOM 189 O VAL A 12 -2.163 1.038 -4.932 1.00 0.00 O ATOM 190 CB VAL A 12 -4.837 0.227 -3.524 1.00 0.00 C ATOM 191 CG1 VAL A 12 -4.440 -0.577 -4.764 1.00 0.00 C ATOM 192 CG2 VAL A 12 -5.238 -0.699 -2.374 1.00 0.00 C ATOM 0 H VAL A 12 -5.267 2.284 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.012 0.578 -2.513 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.705 0.834 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.258 -1.241 -5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.228 0.105 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.551 -1.168 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.040 -1.360 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.378 -1.295 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.582 -0.102 -1.529 1.00 0.00 H new ATOM 202 N LEU A 13 -3.165 3.027 -4.540 1.00 0.00 N ATOM 203 CA LEU A 13 -2.496 3.706 -5.636 1.00 0.00 C ATOM 204 C LEU A 13 -1.111 4.164 -5.179 1.00 0.00 C ATOM 205 O LEU A 13 -0.119 3.938 -5.870 1.00 0.00 O ATOM 206 CB LEU A 13 -3.371 4.838 -6.178 1.00 0.00 C ATOM 207 CG LEU A 13 -4.674 4.414 -6.857 1.00 0.00 C ATOM 208 CD1 LEU A 13 -5.003 5.331 -8.037 1.00 0.00 C ATOM 209 CD2 LEU A 13 -4.621 2.942 -7.274 1.00 0.00 C ATOM 0 H LEU A 13 -3.807 3.612 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.345 3.022 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.616 5.508 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.783 5.414 -6.893 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.484 4.516 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.934 5.007 -8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.112 6.356 -7.682 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.197 5.285 -8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.560 2.666 -7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.798 2.791 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.468 2.319 -6.393 1.00 0.00 H new ATOM 221 N PHE A 14 -1.087 4.801 -4.018 1.00 0.00 N ATOM 222 CA PHE A 14 0.161 5.293 -3.459 1.00 0.00 C ATOM 223 C PHE A 14 1.178 4.160 -3.305 1.00 0.00 C ATOM 224 O PHE A 14 2.382 4.382 -3.420 1.00 0.00 O ATOM 225 CB PHE A 14 -0.161 5.865 -2.076 1.00 0.00 C ATOM 226 CG PHE A 14 -1.029 7.125 -2.111 1.00 0.00 C ATOM 227 CD1 PHE A 14 -0.831 8.061 -3.077 1.00 0.00 C ATOM 228 CD2 PHE A 14 -2.000 7.307 -1.176 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.635 9.231 -3.109 1.00 0.00 C ATOM 230 CE2 PHE A 14 -2.805 8.475 -1.208 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.606 9.413 -2.173 1.00 0.00 C ATOM 0 H PHE A 14 -1.912 4.988 -3.448 1.00 0.00 H new ATOM 0 HA PHE A 14 0.592 6.045 -4.120 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.670 5.102 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.773 6.093 -1.562 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.062 7.915 -3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.158 6.563 -0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.476 9.975 -3.875 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.576 8.619 -0.466 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.219 10.302 -2.196 1.00 0.00 H new ATOM 241 N VAL A 15 0.655 2.970 -3.048 1.00 0.00 N ATOM 242 CA VAL A 15 1.502 1.802 -2.877 1.00 0.00 C ATOM 243 C VAL A 15 1.749 1.152 -4.241 1.00 0.00 C ATOM 244 O VAL A 15 2.736 0.443 -4.424 1.00 0.00 O ATOM 245 CB VAL A 15 0.873 0.844 -1.863 1.00 0.00 C ATOM 246 CG1 VAL A 15 1.052 1.363 -0.435 1.00 0.00 C ATOM 247 CG2 VAL A 15 -0.604 0.603 -2.179 1.00 0.00 C ATOM 0 H VAL A 15 -0.345 2.790 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 15 2.473 2.090 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 15 1.391 -0.112 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.596 0.664 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.115 1.458 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.573 2.337 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.027 -0.081 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.143 1.550 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.697 0.168 -3.174 1.00 0.00 H new ATOM 257 N ALA A 16 0.835 1.420 -5.161 1.00 0.00 N ATOM 258 CA ALA A 16 0.941 0.870 -6.502 1.00 0.00 C ATOM 259 C ALA A 16 1.910 1.723 -7.323 1.00 0.00 C ATOM 260 O ALA A 16 2.635 1.205 -8.171 1.00 0.00 O ATOM 261 CB ALA A 16 -0.450 0.795 -7.135 1.00 0.00 C ATOM 0 H ALA A 16 0.018 2.010 -5.005 1.00 0.00 H new ATOM 0 HA ALA A 16 1.340 -0.144 -6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.370 0.382 -8.141 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.091 0.154 -6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.881 1.795 -7.186 1.00 0.00 H new ATOM 267 N MET A 17 1.892 3.019 -7.042 1.00 0.00 N ATOM 268 CA MET A 17 2.760 3.948 -7.745 1.00 0.00 C ATOM 269 C MET A 17 4.220 3.755 -7.329 1.00 0.00 C ATOM 270 O MET A 17 5.124 3.879 -8.153 1.00 0.00 O ATOM 271 CB MET A 17 2.327 5.383 -7.436 1.00 0.00 C ATOM 272 CG MET A 17 1.915 6.117 -8.713 1.00 0.00 C ATOM 273 SD MET A 17 0.150 6.383 -8.724 1.00 0.00 S ATOM 274 CE MET A 17 0.064 7.857 -9.726 1.00 0.00 C ATOM 0 H MET A 17 1.290 3.446 -6.338 1.00 0.00 H new ATOM 0 HA MET A 17 2.678 3.756 -8.815 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.494 5.372 -6.733 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.145 5.918 -6.953 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.435 7.073 -8.777 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.209 5.536 -9.587 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.977 8.163 -9.835 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.629 8.656 -9.247 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.487 7.653 -10.710 1.00 0.00 H new ATOM 284 N TRP A 18 4.404 3.456 -6.052 1.00 0.00 N ATOM 285 CA TRP A 18 5.739 3.245 -5.517 1.00 0.00 C ATOM 286 C TRP A 18 6.222 1.870 -5.982 1.00 0.00 C ATOM 287 O TRP A 18 7.400 1.693 -6.287 1.00 0.00 O ATOM 288 CB TRP A 18 5.751 3.399 -3.995 1.00 0.00 C ATOM 289 CG TRP A 18 6.690 2.428 -3.278 1.00 0.00 C ATOM 290 CD1 TRP A 18 7.958 2.125 -3.588 1.00 0.00 C ATOM 291 CD2 TRP A 18 6.381 1.637 -2.110 1.00 0.00 C ATOM 292 NE1 TRP A 18 8.487 1.202 -2.709 1.00 0.00 N ATOM 293 CE2 TRP A 18 7.498 0.896 -1.782 1.00 0.00 C ATOM 294 CE3 TRP A 18 5.197 1.553 -1.356 1.00 0.00 C ATOM 295 CZ2 TRP A 18 7.541 0.017 -0.693 1.00 0.00 C ATOM 296 CZ3 TRP A 18 5.258 0.670 -0.271 1.00 0.00 C ATOM 297 CH2 TRP A 18 6.374 -0.084 0.072 1.00 0.00 C ATOM 0 H TRP A 18 3.651 3.355 -5.371 1.00 0.00 H new ATOM 0 HA TRP A 18 6.428 4.002 -5.891 1.00 0.00 H new ATOM 0 HB2 TRP A 18 6.041 4.420 -3.746 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.739 3.255 -3.618 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.498 2.550 -4.421 1.00 0.00 H new ATOM 0 HE1 TRP A 18 9.431 0.815 -2.735 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.312 2.124 -1.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 8.428 -0.553 -0.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.375 0.568 0.343 1.00 0.00 H new ATOM 0 HH2 TRP A 18 6.340 -0.745 0.925 1.00 0.00 H new ATOM 308 N SER A 19 5.288 0.931 -6.022 1.00 0.00 N ATOM 309 CA SER A 19 5.604 -0.423 -6.444 1.00 0.00 C ATOM 310 C SER A 19 5.844 -0.456 -7.955 1.00 0.00 C ATOM 311 O SER A 19 6.504 -1.361 -8.461 1.00 0.00 O ATOM 312 CB SER A 19 4.485 -1.394 -6.062 1.00 0.00 C ATOM 313 OG SER A 19 4.922 -2.750 -6.092 1.00 0.00 O ATOM 0 H SER A 19 4.311 1.081 -5.769 1.00 0.00 H new ATOM 0 HA SER A 19 6.512 -0.739 -5.931 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.121 -1.153 -5.064 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.646 -1.268 -6.747 1.00 0.00 H new ATOM 0 HG SER A 19 4.180 -3.339 -5.841 1.00 0.00 H new ATOM 319 N ASP A 20 5.294 0.541 -8.631 1.00 0.00 N ATOM 320 CA ASP A 20 5.439 0.637 -10.074 1.00 0.00 C ATOM 321 C ASP A 20 6.892 0.978 -10.413 1.00 0.00 C ATOM 322 O ASP A 20 7.502 0.331 -11.263 1.00 0.00 O ATOM 323 CB ASP A 20 4.548 1.740 -10.646 1.00 0.00 C ATOM 324 CG ASP A 20 4.048 1.494 -12.071 1.00 0.00 C ATOM 325 OD1 ASP A 20 4.818 1.565 -13.039 1.00 0.00 O ATOM 326 OD2 ASP A 20 2.792 1.215 -12.167 1.00 0.00 O ATOM 0 H ASP A 20 4.747 1.290 -8.207 1.00 0.00 H new ATOM 0 HA ASP A 20 5.148 -0.320 -10.507 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.686 1.866 -9.991 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.101 2.679 -10.628 1.00 0.00 H new ATOM 332 N VAL A 21 7.403 1.993 -9.732 1.00 0.00 N ATOM 333 CA VAL A 21 8.771 2.428 -9.952 1.00 0.00 C ATOM 334 C VAL A 21 9.710 1.227 -9.826 1.00 0.00 C ATOM 335 O VAL A 21 10.812 1.237 -10.372 1.00 0.00 O ATOM 336 CB VAL A 21 9.120 3.563 -8.985 1.00 0.00 C ATOM 337 CG1 VAL A 21 10.608 3.911 -9.063 1.00 0.00 C ATOM 338 CG2 VAL A 21 8.254 4.796 -9.253 1.00 0.00 C ATOM 0 H VAL A 21 6.894 2.527 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 21 8.888 2.828 -10.959 1.00 0.00 H new ATOM 0 HB VAL A 21 8.909 3.218 -7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.830 4.720 -8.367 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.201 3.034 -8.802 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.855 4.227 -10.076 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.521 5.588 -8.553 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.420 5.142 -10.273 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.203 4.537 -9.124 1.00 0.00 H new ATOM 348 N GLY A 22 9.239 0.221 -9.105 1.00 0.00 N ATOM 349 CA GLY A 22 10.023 -0.986 -8.902 1.00 0.00 C ATOM 350 C GLY A 22 10.727 -1.406 -10.193 1.00 0.00 C ATOM 351 O GLY A 22 11.864 -1.873 -10.160 1.00 0.00 O ATOM 0 H GLY A 22 8.324 0.216 -8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.762 -0.816 -8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.374 -1.792 -8.559 1.00 0.00 H new ATOM 355 N LEU A 23 10.022 -1.225 -11.301 1.00 0.00 N ATOM 356 CA LEU A 23 10.566 -1.580 -12.600 1.00 0.00 C ATOM 357 C LEU A 23 12.038 -1.167 -12.662 1.00 0.00 C ATOM 358 O LEU A 23 12.891 -1.955 -13.065 1.00 0.00 O ATOM 359 CB LEU A 23 9.712 -0.982 -13.720 1.00 0.00 C ATOM 360 CG LEU A 23 9.577 0.543 -13.719 1.00 0.00 C ATOM 361 CD1 LEU A 23 10.621 1.186 -14.634 1.00 0.00 C ATOM 362 CD2 LEU A 23 8.153 0.966 -14.086 1.00 0.00 C ATOM 0 H LEU A 23 9.079 -0.837 -11.325 1.00 0.00 H new ATOM 0 HA LEU A 23 10.531 -2.660 -12.745 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.136 -1.289 -14.676 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.714 -1.415 -13.660 1.00 0.00 H new ATOM 0 HG LEU A 23 9.770 0.904 -12.709 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.503 2.269 -14.615 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.620 0.923 -14.287 1.00 0.00 H new ATOM 0 HD13 LEU A 23 10.484 0.824 -15.653 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.083 2.054 -14.078 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.908 0.594 -15.081 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.452 0.552 -13.361 1.00 0.00 H new ATOM 374 N CYS A 24 12.290 0.070 -12.257 1.00 0.00 N ATOM 375 CA CYS A 24 13.644 0.598 -12.262 1.00 0.00 C ATOM 376 C CYS A 24 14.271 0.300 -13.625 1.00 0.00 C ATOM 377 O CYS A 24 14.948 -0.714 -13.792 1.00 0.00 O ATOM 378 CB CYS A 24 14.478 0.027 -11.113 1.00 0.00 C ATOM 379 SG CYS A 24 14.592 1.249 -9.755 1.00 0.00 S ATOM 0 H CYS A 24 11.579 0.721 -11.923 1.00 0.00 H new ATOM 0 HA CYS A 24 13.617 1.676 -12.104 1.00 0.00 H new ATOM 0 HB2 CYS A 24 14.025 -0.895 -10.747 1.00 0.00 H new ATOM 0 HB3 CYS A 24 15.476 -0.228 -11.469 1.00 0.00 H new ATOM 0 HG CYS A 24 15.300 0.754 -8.784 1.00 0.00 H new ATOM 385 N LYS A 25 14.023 1.200 -14.565 1.00 0.00 N ATOM 386 CA LYS A 25 14.556 1.046 -15.907 1.00 0.00 C ATOM 387 C LYS A 25 13.552 0.269 -16.763 1.00 0.00 C ATOM 388 O LYS A 25 13.382 0.562 -17.946 1.00 0.00 O ATOM 389 CB LYS A 25 15.947 0.412 -15.863 1.00 0.00 C ATOM 390 CG LYS A 25 16.762 0.790 -17.101 1.00 0.00 C ATOM 391 CD LYS A 25 18.163 1.265 -16.712 1.00 0.00 C ATOM 392 CE LYS A 25 19.237 0.501 -17.490 1.00 0.00 C ATOM 393 NZ LYS A 25 20.002 -0.384 -16.585 1.00 0.00 N ATOM 0 H LYS A 25 13.460 2.039 -14.423 1.00 0.00 H new ATOM 0 HA LYS A 25 14.691 2.020 -16.377 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.471 0.739 -14.965 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.854 -0.672 -15.801 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.838 -0.069 -17.767 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.248 1.577 -17.653 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.257 2.333 -16.909 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.315 1.124 -15.642 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.772 -0.090 -18.279 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.912 1.205 -17.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.726 -0.895 -17.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.462 0.187 -15.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.357 -1.068 -16.141 1.00 0.00 H new ATOM 406 N LYS A 26 12.914 -0.705 -16.132 1.00 0.00 N ATOM 407 CA LYS A 26 11.932 -1.526 -16.820 1.00 0.00 C ATOM 408 C LYS A 26 11.612 -2.754 -15.966 1.00 0.00 C ATOM 409 O LYS A 26 10.494 -3.264 -16.000 1.00 0.00 O ATOM 410 CB LYS A 26 12.414 -1.867 -18.231 1.00 0.00 C ATOM 411 CG LYS A 26 11.586 -1.130 -19.286 1.00 0.00 C ATOM 412 CD LYS A 26 11.416 -1.984 -20.544 1.00 0.00 C ATOM 413 CE LYS A 26 12.302 -1.469 -21.681 1.00 0.00 C ATOM 414 NZ LYS A 26 11.579 -1.534 -22.970 1.00 0.00 N ATOM 0 H LYS A 26 13.058 -0.945 -15.151 1.00 0.00 H new ATOM 0 HA LYS A 26 11.000 -0.976 -16.950 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.465 -1.598 -18.335 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.343 -2.942 -18.394 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.607 -0.881 -18.876 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.073 -0.189 -19.544 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.670 -3.020 -20.321 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.372 -1.972 -20.858 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.604 -0.442 -21.478 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.214 -2.064 -21.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.194 -1.181 -23.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.312 -2.519 -23.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.722 -0.947 -22.917 1.00 0.00 H new ATOM 427 N ARG A 27 12.615 -3.193 -15.219 1.00 0.00 N ATOM 428 CA ARG A 27 12.454 -4.353 -14.357 1.00 0.00 C ATOM 429 C ARG A 27 13.611 -4.437 -13.359 1.00 0.00 C ATOM 430 O ARG A 27 14.724 -4.007 -13.656 1.00 0.00 O ATOM 431 CB ARG A 27 12.402 -5.645 -15.176 1.00 0.00 C ATOM 432 CG ARG A 27 13.743 -5.914 -15.861 1.00 0.00 C ATOM 433 CD ARG A 27 13.842 -7.371 -16.320 1.00 0.00 C ATOM 434 NE ARG A 27 14.381 -8.209 -15.228 1.00 0.00 N ATOM 435 CZ ARG A 27 14.140 -9.532 -15.099 1.00 0.00 C ATOM 436 NH1 ARG A 27 13.365 -10.177 -15.996 1.00 0.00 N ATOM 437 NH2 ARG A 27 14.673 -10.184 -14.083 1.00 0.00 N ATOM 0 H ARG A 27 13.541 -2.767 -15.193 1.00 0.00 H new ATOM 0 HA ARG A 27 11.513 -4.239 -13.819 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.147 -6.482 -14.526 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.614 -5.573 -15.926 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.857 -5.250 -16.718 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.558 -5.689 -15.173 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.859 -7.735 -16.617 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.487 -7.442 -17.196 1.00 0.00 H new ATOM 0 HE ARG A 27 14.972 -7.760 -14.528 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.957 -9.665 -16.778 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.188 -11.176 -15.892 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.257 -9.689 -13.409 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.501 -11.183 -13.971 1.00 0.00 H new ATOM 450 N PRO A 28 13.299 -5.006 -12.164 1.00 0.00 N ATOM 451 CA PRO A 28 14.300 -5.152 -11.120 1.00 0.00 C ATOM 452 C PRO A 28 15.271 -6.287 -11.447 1.00 0.00 C ATOM 453 O PRO A 28 14.886 -7.455 -11.461 1.00 0.00 O ATOM 454 CB PRO A 28 13.506 -5.396 -9.847 1.00 0.00 C ATOM 455 CG PRO A 28 12.123 -5.841 -10.296 1.00 0.00 C ATOM 456 CD PRO A 28 11.990 -5.525 -11.777 1.00 0.00 C ATOM 0 HA PRO A 28 14.933 -4.271 -11.016 1.00 0.00 H new ATOM 0 HB2 PRO A 28 13.981 -6.160 -9.231 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.448 -4.490 -9.243 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.989 -6.908 -10.120 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.352 -5.325 -9.725 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.732 -6.415 -12.350 1.00 0.00 H new ATOM 0 HD3 PRO A 28 11.204 -4.791 -11.956 1.00 0.00 H new ATOM 464 N LYS A 29 16.514 -5.904 -11.702 1.00 0.00 N ATOM 465 CA LYS A 29 17.545 -6.875 -12.028 1.00 0.00 C ATOM 466 C LYS A 29 18.014 -7.564 -10.744 1.00 0.00 C ATOM 467 O LYS A 29 17.964 -8.788 -10.639 1.00 0.00 O ATOM 468 CB LYS A 29 18.674 -6.212 -12.819 1.00 0.00 C ATOM 469 CG LYS A 29 18.831 -6.860 -14.197 1.00 0.00 C ATOM 470 CD LYS A 29 20.273 -6.744 -14.695 1.00 0.00 C ATOM 471 CE LYS A 29 20.419 -5.588 -15.687 1.00 0.00 C ATOM 472 NZ LYS A 29 21.305 -5.974 -16.807 1.00 0.00 N ATOM 0 H LYS A 29 16.830 -4.934 -11.689 1.00 0.00 H new ATOM 0 HA LYS A 29 17.145 -7.652 -12.679 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.466 -5.148 -12.935 1.00 0.00 H new ATOM 0 HB3 LYS A 29 19.609 -6.296 -12.265 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.544 -7.910 -14.144 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.157 -6.381 -14.907 1.00 0.00 H new ATOM 0 HD2 LYS A 29 20.942 -6.589 -13.849 1.00 0.00 H new ATOM 0 HD3 LYS A 29 20.573 -7.677 -15.172 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.439 -5.305 -16.072 1.00 0.00 H new ATOM 0 HE3 LYS A 29 20.826 -4.714 -15.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.393 -5.178 -17.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.245 -6.221 -16.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.901 -6.794 -17.302 1.00 0.00 H new ATOM 485 N PRO A 30 18.471 -6.724 -9.776 1.00 0.00 N ATOM 486 CA PRO A 30 18.949 -7.240 -8.504 1.00 0.00 C ATOM 487 C PRO A 30 17.782 -7.682 -7.619 1.00 0.00 C ATOM 488 O PRO A 30 17.953 -7.889 -6.418 1.00 0.00 O ATOM 489 CB PRO A 30 19.756 -6.103 -7.899 1.00 0.00 C ATOM 490 CG PRO A 30 19.318 -4.844 -8.629 1.00 0.00 C ATOM 491 CD PRO A 30 18.543 -5.269 -9.866 1.00 0.00 C ATOM 0 HA PRO A 30 19.564 -8.133 -8.615 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.569 -6.018 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.825 -6.274 -8.023 1.00 0.00 H new ATOM 0 HG2 PRO A 30 18.696 -4.225 -7.983 1.00 0.00 H new ATOM 0 HG3 PRO A 30 20.184 -4.244 -8.908 1.00 0.00 H new ATOM 0 HD2 PRO A 30 17.548 -4.824 -9.883 1.00 0.00 H new ATOM 0 HD3 PRO A 30 19.049 -4.953 -10.778 1.00 0.00 H new TER 499 PRO A 30