USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=6 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+ 173:sc= 0 (180deg=-0.0457) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 73:sc= 0.432 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 93:sc= 0.12 USER MOD Single : A 24 CYS SG : rot 51:sc= 0.0523 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 149:sc= -0.0625 (180deg=-1.33!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.262 -2.916 -6.499 1.00 0.00 N ATOM 2 CA MET A 1 -15.781 -1.648 -6.981 1.00 0.00 C ATOM 3 C MET A 1 -16.760 -1.038 -5.976 1.00 0.00 C ATOM 4 O MET A 1 -17.843 -0.591 -6.350 1.00 0.00 O ATOM 5 CB MET A 1 -16.491 -1.861 -8.320 1.00 0.00 C ATOM 6 CG MET A 1 -16.143 -0.747 -9.309 1.00 0.00 C ATOM 7 SD MET A 1 -16.777 -1.149 -10.928 1.00 0.00 S ATOM 8 CE MET A 1 -15.765 -0.076 -11.933 1.00 0.00 C ATOM 0 H1 MET A 1 -14.695 -3.365 -7.246 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.666 -2.752 -5.663 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.053 -3.540 -6.242 1.00 0.00 H new ATOM 0 HA MET A 1 -14.945 -0.961 -7.109 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.204 -2.826 -8.738 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.569 -1.889 -8.163 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.565 0.198 -8.968 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.062 -0.615 -9.355 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.032 -0.201 -12.982 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.929 0.960 -11.638 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.714 -0.331 -11.793 1.00 0.00 H new ATOM 18 N VAL A 2 -16.343 -1.038 -4.718 1.00 0.00 N ATOM 19 CA VAL A 2 -17.170 -0.491 -3.656 1.00 0.00 C ATOM 20 C VAL A 2 -17.844 0.791 -4.150 1.00 0.00 C ATOM 21 O VAL A 2 -19.048 0.972 -3.970 1.00 0.00 O ATOM 22 CB VAL A 2 -16.328 -0.276 -2.396 1.00 0.00 C ATOM 23 CG1 VAL A 2 -16.009 -1.608 -1.716 1.00 0.00 C ATOM 24 CG2 VAL A 2 -15.047 0.497 -2.718 1.00 0.00 C ATOM 0 H VAL A 2 -15.444 -1.408 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 2 -17.961 -1.192 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 2 -16.914 0.323 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.410 -1.427 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -16.938 -2.105 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -15.452 -2.244 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.467 0.636 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -14.456 -0.064 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -15.305 1.470 -3.136 1.00 0.00 H new ATOM 34 N LYS A 3 -17.039 1.648 -4.763 1.00 0.00 N ATOM 35 CA LYS A 3 -17.544 2.906 -5.283 1.00 0.00 C ATOM 36 C LYS A 3 -18.043 3.771 -4.124 1.00 0.00 C ATOM 37 O LYS A 3 -19.249 3.930 -3.938 1.00 0.00 O ATOM 38 CB LYS A 3 -18.600 2.655 -6.362 1.00 0.00 C ATOM 39 CG LYS A 3 -18.070 3.037 -7.746 1.00 0.00 C ATOM 40 CD LYS A 3 -19.220 3.366 -8.701 1.00 0.00 C ATOM 41 CE LYS A 3 -19.845 4.720 -8.359 1.00 0.00 C ATOM 42 NZ LYS A 3 -21.303 4.697 -8.618 1.00 0.00 N ATOM 0 H LYS A 3 -16.041 1.495 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.745 3.462 -5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.888 1.604 -6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -19.497 3.233 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.406 3.897 -7.661 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.478 2.217 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.853 3.379 -9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.979 2.586 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.659 4.959 -7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -19.376 5.504 -8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -21.712 5.623 -8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -21.474 4.490 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -21.748 3.962 -8.032 1.00 0.00 H new ATOM 55 N SER A 4 -17.092 4.304 -3.373 1.00 0.00 N ATOM 56 CA SER A 4 -17.420 5.147 -2.237 1.00 0.00 C ATOM 57 C SER A 4 -16.228 5.224 -1.280 1.00 0.00 C ATOM 58 O SER A 4 -16.070 6.205 -0.556 1.00 0.00 O ATOM 59 CB SER A 4 -18.656 4.626 -1.502 1.00 0.00 C ATOM 60 OG SER A 4 -19.810 5.419 -1.769 1.00 0.00 O ATOM 0 H SER A 4 -16.093 4.168 -3.529 1.00 0.00 H new ATOM 0 HA SER A 4 -17.646 6.147 -2.608 1.00 0.00 H new ATOM 0 HB2 SER A 4 -18.848 3.595 -1.800 1.00 0.00 H new ATOM 0 HB3 SER A 4 -18.463 4.617 -0.429 1.00 0.00 H new ATOM 0 HG SER A 4 -20.118 5.250 -2.684 1.00 0.00 H new ATOM 66 N LYS A 5 -15.419 4.175 -1.308 1.00 0.00 N ATOM 67 CA LYS A 5 -14.247 4.110 -0.453 1.00 0.00 C ATOM 68 C LYS A 5 -12.996 4.396 -1.287 1.00 0.00 C ATOM 69 O LYS A 5 -12.037 3.625 -1.260 1.00 0.00 O ATOM 70 CB LYS A 5 -14.197 2.774 0.291 1.00 0.00 C ATOM 71 CG LYS A 5 -14.452 2.968 1.786 1.00 0.00 C ATOM 72 CD LYS A 5 -15.921 2.713 2.131 1.00 0.00 C ATOM 73 CE LYS A 5 -16.416 3.703 3.187 1.00 0.00 C ATOM 74 NZ LYS A 5 -17.384 4.653 2.593 1.00 0.00 N ATOM 0 H LYS A 5 -15.553 3.363 -1.910 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.298 4.876 0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.942 2.095 -0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.223 2.307 0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.818 2.290 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.178 3.982 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.530 2.801 1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.040 1.694 2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.885 3.163 4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.571 4.250 3.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.710 5.318 3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.925 5.181 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.198 4.128 2.214 1.00 0.00 H new ATOM 87 N ILE A 6 -13.046 5.506 -2.008 1.00 0.00 N ATOM 88 CA ILE A 6 -11.929 5.903 -2.849 1.00 0.00 C ATOM 89 C ILE A 6 -10.662 5.996 -1.996 1.00 0.00 C ATOM 90 O ILE A 6 -9.552 5.881 -2.512 1.00 0.00 O ATOM 91 CB ILE A 6 -12.258 7.193 -3.603 1.00 0.00 C ATOM 92 CG1 ILE A 6 -13.321 6.944 -4.676 1.00 0.00 C ATOM 93 CG2 ILE A 6 -10.993 7.825 -4.188 1.00 0.00 C ATOM 94 CD1 ILE A 6 -13.924 8.263 -5.165 1.00 0.00 C ATOM 0 H ILE A 6 -13.842 6.143 -2.027 1.00 0.00 H new ATOM 0 HA ILE A 6 -11.744 5.151 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 6 -12.676 7.906 -2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.877 6.409 -5.516 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.108 6.307 -4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.255 8.740 -4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.297 8.059 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.524 7.126 -4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -14.676 8.059 -5.927 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -14.388 8.784 -4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.138 8.887 -5.590 1.00 0.00 H new ATOM 106 N GLY A 7 -10.871 6.204 -0.704 1.00 0.00 N ATOM 107 CA GLY A 7 -9.760 6.314 0.225 1.00 0.00 C ATOM 108 C GLY A 7 -8.922 5.033 0.232 1.00 0.00 C ATOM 109 O GLY A 7 -7.714 5.080 0.462 1.00 0.00 O ATOM 0 H GLY A 7 -11.793 6.299 -0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.133 7.162 -0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.138 6.511 1.228 1.00 0.00 H new ATOM 113 N SER A 8 -9.596 3.922 -0.023 1.00 0.00 N ATOM 114 CA SER A 8 -8.927 2.632 -0.051 1.00 0.00 C ATOM 115 C SER A 8 -8.274 2.410 -1.415 1.00 0.00 C ATOM 116 O SER A 8 -7.341 1.617 -1.538 1.00 0.00 O ATOM 117 CB SER A 8 -9.908 1.498 0.260 1.00 0.00 C ATOM 118 OG SER A 8 -9.259 0.380 0.857 1.00 0.00 O ATOM 0 H SER A 8 -10.598 3.888 -0.212 1.00 0.00 H new ATOM 0 HA SER A 8 -8.154 2.630 0.718 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.686 1.865 0.929 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.401 1.183 -0.660 1.00 0.00 H new ATOM 0 HG SER A 8 -9.919 -0.321 1.041 1.00 0.00 H new ATOM 124 N TRP A 9 -8.788 3.123 -2.406 1.00 0.00 N ATOM 125 CA TRP A 9 -8.266 3.012 -3.757 1.00 0.00 C ATOM 126 C TRP A 9 -7.031 3.910 -3.860 1.00 0.00 C ATOM 127 O TRP A 9 -5.976 3.470 -4.317 1.00 0.00 O ATOM 128 CB TRP A 9 -9.341 3.354 -4.791 1.00 0.00 C ATOM 129 CG TRP A 9 -8.788 3.679 -6.180 1.00 0.00 C ATOM 130 CD1 TRP A 9 -8.616 4.887 -6.738 1.00 0.00 C ATOM 131 CD2 TRP A 9 -8.339 2.731 -7.170 1.00 0.00 C ATOM 132 NE1 TRP A 9 -8.091 4.785 -8.010 1.00 0.00 N ATOM 133 CE2 TRP A 9 -7.918 3.433 -8.281 1.00 0.00 C ATOM 134 CE3 TRP A 9 -8.292 1.327 -7.129 1.00 0.00 C ATOM 135 CZ2 TRP A 9 -7.418 2.815 -9.434 1.00 0.00 C ATOM 136 CZ3 TRP A 9 -7.790 0.724 -8.290 1.00 0.00 C ATOM 137 CH2 TRP A 9 -7.361 1.417 -9.415 1.00 0.00 C ATOM 0 H TRP A 9 -9.561 3.780 -2.300 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.971 1.985 -3.974 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -10.031 2.514 -4.873 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.917 4.207 -4.432 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.858 5.821 -6.253 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -7.870 5.559 -8.636 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -8.617 0.758 -6.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -7.094 3.386 -10.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -7.733 -0.354 -8.312 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -6.985 0.878 -10.272 1.00 0.00 H new ATOM 148 N ILE A 10 -7.202 5.151 -3.429 1.00 0.00 N ATOM 149 CA ILE A 10 -6.115 6.113 -3.468 1.00 0.00 C ATOM 150 C ILE A 10 -4.911 5.546 -2.713 1.00 0.00 C ATOM 151 O ILE A 10 -3.766 5.863 -3.034 1.00 0.00 O ATOM 152 CB ILE A 10 -6.583 7.473 -2.945 1.00 0.00 C ATOM 153 CG1 ILE A 10 -5.684 8.598 -3.460 1.00 0.00 C ATOM 154 CG2 ILE A 10 -6.681 7.470 -1.419 1.00 0.00 C ATOM 155 CD1 ILE A 10 -6.108 9.949 -2.879 1.00 0.00 C ATOM 0 H ILE A 10 -8.078 5.512 -3.051 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.796 6.285 -4.496 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.585 7.660 -3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.648 8.392 -3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.730 8.636 -4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.016 8.448 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.395 6.710 -1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.703 7.250 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.452 10.731 -3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.136 10.163 -3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.037 9.916 -1.792 1.00 0.00 H new ATOM 167 N LEU A 11 -5.210 4.718 -1.724 1.00 0.00 N ATOM 168 CA LEU A 11 -4.166 4.104 -0.920 1.00 0.00 C ATOM 169 C LEU A 11 -3.421 3.068 -1.765 1.00 0.00 C ATOM 170 O LEU A 11 -2.194 3.095 -1.847 1.00 0.00 O ATOM 171 CB LEU A 11 -4.751 3.536 0.374 1.00 0.00 C ATOM 172 CG LEU A 11 -4.211 4.134 1.674 1.00 0.00 C ATOM 173 CD1 LEU A 11 -2.729 3.802 1.858 1.00 0.00 C ATOM 174 CD2 LEU A 11 -4.471 5.641 1.733 1.00 0.00 C ATOM 0 H LEU A 11 -6.160 4.457 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.434 4.850 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.832 3.678 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.571 2.461 0.390 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.748 3.680 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.371 4.239 2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.600 2.720 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.158 4.210 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.077 6.042 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.977 6.129 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.544 5.827 1.682 1.00 0.00 H new ATOM 186 N VAL A 12 -4.194 2.179 -2.372 1.00 0.00 N ATOM 187 CA VAL A 12 -3.622 1.137 -3.207 1.00 0.00 C ATOM 188 C VAL A 12 -2.871 1.780 -4.375 1.00 0.00 C ATOM 189 O VAL A 12 -2.081 1.120 -5.048 1.00 0.00 O ATOM 190 CB VAL A 12 -4.719 0.170 -3.661 1.00 0.00 C ATOM 191 CG1 VAL A 12 -4.258 -0.654 -4.864 1.00 0.00 C ATOM 192 CG2 VAL A 12 -5.160 -0.737 -2.511 1.00 0.00 C ATOM 0 H VAL A 12 -5.211 2.159 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.900 0.547 -2.642 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.581 0.761 -3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.055 -1.333 -5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.016 0.014 -5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.374 -1.231 -4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.940 -1.414 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.307 -1.317 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.548 -0.127 -1.695 1.00 0.00 H new ATOM 202 N LEU A 13 -3.143 3.060 -4.579 1.00 0.00 N ATOM 203 CA LEU A 13 -2.504 3.800 -5.654 1.00 0.00 C ATOM 204 C LEU A 13 -1.095 4.209 -5.216 1.00 0.00 C ATOM 205 O LEU A 13 -0.118 3.907 -5.898 1.00 0.00 O ATOM 206 CB LEU A 13 -3.378 4.976 -6.090 1.00 0.00 C ATOM 207 CG LEU A 13 -4.685 4.613 -6.799 1.00 0.00 C ATOM 208 CD1 LEU A 13 -4.915 5.508 -8.019 1.00 0.00 C ATOM 209 CD2 LEU A 13 -4.717 3.127 -7.163 1.00 0.00 C ATOM 0 H LEU A 13 -3.798 3.604 -4.018 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.395 3.171 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.619 5.571 -5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.792 5.612 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.509 4.793 -6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.850 5.229 -8.504 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.968 6.549 -7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.091 5.384 -8.722 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.656 2.896 -7.666 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.884 2.897 -7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.634 2.528 -6.256 1.00 0.00 H new ATOM 221 N PHE A 14 -1.038 4.892 -4.082 1.00 0.00 N ATOM 222 CA PHE A 14 0.233 5.347 -3.546 1.00 0.00 C ATOM 223 C PHE A 14 1.220 4.184 -3.413 1.00 0.00 C ATOM 224 O PHE A 14 2.419 4.355 -3.628 1.00 0.00 O ATOM 225 CB PHE A 14 -0.047 5.923 -2.156 1.00 0.00 C ATOM 226 CG PHE A 14 -0.975 7.140 -2.164 1.00 0.00 C ATOM 227 CD1 PHE A 14 -0.856 8.080 -3.140 1.00 0.00 C ATOM 228 CD2 PHE A 14 -1.918 7.280 -1.195 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.717 9.208 -3.147 1.00 0.00 C ATOM 230 CE2 PHE A 14 -2.780 8.410 -1.202 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.662 9.350 -2.177 1.00 0.00 C ATOM 0 H PHE A 14 -1.852 5.141 -3.520 1.00 0.00 H new ATOM 0 HA PHE A 14 0.673 6.089 -4.213 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.489 5.145 -1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.899 6.203 -1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.106 7.968 -3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.012 6.533 -0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.623 9.954 -3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.529 8.522 -0.432 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.317 10.209 -2.182 1.00 0.00 H new ATOM 241 N VAL A 15 0.677 3.028 -3.059 1.00 0.00 N ATOM 242 CA VAL A 15 1.494 1.838 -2.895 1.00 0.00 C ATOM 243 C VAL A 15 1.763 1.215 -4.267 1.00 0.00 C ATOM 244 O VAL A 15 2.765 0.528 -4.454 1.00 0.00 O ATOM 245 CB VAL A 15 0.819 0.869 -1.922 1.00 0.00 C ATOM 246 CG1 VAL A 15 0.585 1.533 -0.562 1.00 0.00 C ATOM 247 CG2 VAL A 15 -0.491 0.333 -2.503 1.00 0.00 C ATOM 0 H VAL A 15 -0.318 2.891 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 15 2.459 2.096 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 15 1.490 0.023 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.104 0.823 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.541 1.844 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.057 2.405 -0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.951 -0.353 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.170 1.163 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.287 -0.194 -3.435 1.00 0.00 H new ATOM 257 N ALA A 16 0.850 1.479 -5.190 1.00 0.00 N ATOM 258 CA ALA A 16 0.976 0.953 -6.538 1.00 0.00 C ATOM 259 C ALA A 16 1.988 1.795 -7.317 1.00 0.00 C ATOM 260 O ALA A 16 2.784 1.261 -8.088 1.00 0.00 O ATOM 261 CB ALA A 16 -0.401 0.930 -7.208 1.00 0.00 C ATOM 0 H ALA A 16 0.020 2.050 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 16 1.346 -0.072 -6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.307 0.535 -8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.075 0.296 -6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.802 1.943 -7.249 1.00 0.00 H new ATOM 267 N MET A 17 1.927 3.100 -7.088 1.00 0.00 N ATOM 268 CA MET A 17 2.828 4.020 -7.758 1.00 0.00 C ATOM 269 C MET A 17 4.279 3.768 -7.342 1.00 0.00 C ATOM 270 O MET A 17 5.189 3.860 -8.163 1.00 0.00 O ATOM 271 CB MET A 17 2.441 5.459 -7.410 1.00 0.00 C ATOM 272 CG MET A 17 1.675 6.114 -8.562 1.00 0.00 C ATOM 273 SD MET A 17 1.837 7.889 -8.471 1.00 0.00 S ATOM 274 CE MET A 17 0.461 8.379 -9.498 1.00 0.00 C ATOM 0 H MET A 17 1.267 3.540 -6.447 1.00 0.00 H new ATOM 0 HA MET A 17 2.745 3.861 -8.833 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.827 5.467 -6.509 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.338 6.038 -7.189 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.059 5.754 -9.516 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.623 5.834 -8.516 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.415 9.467 -9.550 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.593 7.973 -10.501 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.466 7.997 -9.071 1.00 0.00 H new ATOM 284 N TRP A 18 4.449 3.453 -6.066 1.00 0.00 N ATOM 285 CA TRP A 18 5.773 3.186 -5.531 1.00 0.00 C ATOM 286 C TRP A 18 6.199 1.792 -5.997 1.00 0.00 C ATOM 287 O TRP A 18 7.346 1.590 -6.395 1.00 0.00 O ATOM 288 CB TRP A 18 5.790 3.338 -4.009 1.00 0.00 C ATOM 289 CG TRP A 18 6.687 2.327 -3.292 1.00 0.00 C ATOM 290 CD1 TRP A 18 7.917 1.923 -3.640 1.00 0.00 C ATOM 291 CD2 TRP A 18 6.373 1.605 -2.083 1.00 0.00 C ATOM 292 NE1 TRP A 18 8.415 0.996 -2.747 1.00 0.00 N ATOM 293 CE2 TRP A 18 7.447 0.797 -1.770 1.00 0.00 C ATOM 294 CE3 TRP A 18 5.219 1.633 -1.281 1.00 0.00 C ATOM 295 CZ2 TRP A 18 7.473 -0.043 -0.651 1.00 0.00 C ATOM 296 CZ3 TRP A 18 5.261 0.787 -0.165 1.00 0.00 C ATOM 297 CH2 TRP A 18 6.335 -0.032 0.164 1.00 0.00 C ATOM 0 H TRP A 18 3.691 3.377 -5.387 1.00 0.00 H new ATOM 0 HA TRP A 18 6.494 3.914 -5.904 1.00 0.00 H new ATOM 0 HB2 TRP A 18 6.123 4.345 -3.759 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.772 3.236 -3.633 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.451 2.278 -4.509 1.00 0.00 H new ATOM 0 HE1 TRP A 18 9.326 0.541 -2.795 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.367 2.257 -1.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 8.326 -0.667 -0.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.399 0.770 0.485 1.00 0.00 H new ATOM 0 HH2 TRP A 18 6.292 -0.657 1.044 1.00 0.00 H new ATOM 308 N SER A 19 5.254 0.866 -5.933 1.00 0.00 N ATOM 309 CA SER A 19 5.518 -0.502 -6.343 1.00 0.00 C ATOM 310 C SER A 19 5.955 -0.535 -7.808 1.00 0.00 C ATOM 311 O SER A 19 6.553 -1.510 -8.260 1.00 0.00 O ATOM 312 CB SER A 19 4.284 -1.385 -6.138 1.00 0.00 C ATOM 313 OG SER A 19 4.272 -1.993 -4.849 1.00 0.00 O ATOM 0 H SER A 19 4.304 1.037 -5.603 1.00 0.00 H new ATOM 0 HA SER A 19 6.323 -0.896 -5.722 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.383 -0.784 -6.264 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.261 -2.159 -6.905 1.00 0.00 H new ATOM 0 HG SER A 19 3.771 -1.427 -4.225 1.00 0.00 H new ATOM 319 N ASP A 20 5.641 0.545 -8.510 1.00 0.00 N ATOM 320 CA ASP A 20 5.995 0.653 -9.915 1.00 0.00 C ATOM 321 C ASP A 20 7.391 1.267 -10.039 1.00 0.00 C ATOM 322 O ASP A 20 8.177 0.863 -10.894 1.00 0.00 O ATOM 323 CB ASP A 20 5.013 1.555 -10.663 1.00 0.00 C ATOM 324 CG ASP A 20 4.429 0.956 -11.943 1.00 0.00 C ATOM 325 OD1 ASP A 20 5.080 0.150 -12.626 1.00 0.00 O ATOM 326 OD2 ASP A 20 3.237 1.352 -12.239 1.00 0.00 O ATOM 0 H ASP A 20 5.146 1.352 -8.132 1.00 0.00 H new ATOM 0 HA ASP A 20 5.966 -0.347 -10.348 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.193 1.808 -9.992 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.519 2.487 -10.914 1.00 0.00 H new ATOM 332 N VAL A 21 7.655 2.235 -9.174 1.00 0.00 N ATOM 333 CA VAL A 21 8.942 2.910 -9.177 1.00 0.00 C ATOM 334 C VAL A 21 10.013 1.960 -8.636 1.00 0.00 C ATOM 335 O VAL A 21 11.196 2.121 -8.929 1.00 0.00 O ATOM 336 CB VAL A 21 8.849 4.217 -8.386 1.00 0.00 C ATOM 337 CG1 VAL A 21 10.235 4.830 -8.175 1.00 0.00 C ATOM 338 CG2 VAL A 21 7.910 5.210 -9.077 1.00 0.00 C ATOM 0 H VAL A 21 7.000 2.568 -8.467 1.00 0.00 H new ATOM 0 HA VAL A 21 9.229 3.179 -10.193 1.00 0.00 H new ATOM 0 HB VAL A 21 8.432 3.987 -7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.140 5.758 -7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.862 4.131 -7.622 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.692 5.039 -9.142 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.861 6.130 -8.495 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.286 5.432 -10.076 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.913 4.776 -9.153 1.00 0.00 H new ATOM 348 N GLY A 22 9.557 0.991 -7.856 1.00 0.00 N ATOM 349 CA GLY A 22 10.461 0.014 -7.271 1.00 0.00 C ATOM 350 C GLY A 22 10.402 -1.312 -8.032 1.00 0.00 C ATOM 351 O GLY A 22 10.440 -2.381 -7.426 1.00 0.00 O ATOM 0 H GLY A 22 8.574 0.861 -7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.480 0.401 -7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.198 -0.150 -6.226 1.00 0.00 H new ATOM 355 N LEU A 23 10.311 -1.198 -9.349 1.00 0.00 N ATOM 356 CA LEU A 23 10.246 -2.375 -10.199 1.00 0.00 C ATOM 357 C LEU A 23 11.026 -2.111 -11.489 1.00 0.00 C ATOM 358 O LEU A 23 11.869 -2.914 -11.885 1.00 0.00 O ATOM 359 CB LEU A 23 8.791 -2.788 -10.433 1.00 0.00 C ATOM 360 CG LEU A 23 8.550 -4.277 -10.690 1.00 0.00 C ATOM 361 CD1 LEU A 23 7.162 -4.698 -10.204 1.00 0.00 C ATOM 362 CD2 LEU A 23 8.769 -4.621 -12.165 1.00 0.00 C ATOM 0 H LEU A 23 10.281 -0.309 -9.848 1.00 0.00 H new ATOM 0 HA LEU A 23 10.719 -3.226 -9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.205 -2.490 -9.563 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.407 -2.226 -11.284 1.00 0.00 H new ATOM 0 HG LEU A 23 9.280 -4.846 -10.115 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.015 -5.760 -10.398 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.079 -4.510 -9.134 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.402 -4.124 -10.734 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.591 -5.685 -12.321 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.078 -4.044 -12.780 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.794 -4.379 -12.447 1.00 0.00 H new ATOM 374 N CYS A 24 10.716 -0.982 -12.109 1.00 0.00 N ATOM 375 CA CYS A 24 11.376 -0.602 -13.346 1.00 0.00 C ATOM 376 C CYS A 24 12.218 0.647 -13.076 1.00 0.00 C ATOM 377 O CYS A 24 11.893 1.734 -13.551 1.00 0.00 O ATOM 378 CB CYS A 24 10.371 -0.379 -14.479 1.00 0.00 C ATOM 379 SG CYS A 24 9.213 0.965 -14.033 1.00 0.00 S ATOM 0 H CYS A 24 10.016 -0.318 -11.778 1.00 0.00 H new ATOM 0 HA CYS A 24 12.025 -1.412 -13.679 1.00 0.00 H new ATOM 0 HB2 CYS A 24 10.898 -0.126 -15.399 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.818 -1.298 -14.671 1.00 0.00 H new ATOM 0 HG CYS A 24 9.886 2.008 -13.647 1.00 0.00 H new ATOM 385 N LYS A 25 13.285 0.450 -12.316 1.00 0.00 N ATOM 386 CA LYS A 25 14.176 1.547 -11.978 1.00 0.00 C ATOM 387 C LYS A 25 15.062 1.134 -10.802 1.00 0.00 C ATOM 388 O LYS A 25 16.196 1.597 -10.681 1.00 0.00 O ATOM 389 CB LYS A 25 13.378 2.827 -11.726 1.00 0.00 C ATOM 390 CG LYS A 25 13.503 3.792 -12.907 1.00 0.00 C ATOM 391 CD LYS A 25 14.682 4.747 -12.713 1.00 0.00 C ATOM 392 CE LYS A 25 14.279 6.188 -13.034 1.00 0.00 C ATOM 393 NZ LYS A 25 14.323 7.023 -11.813 1.00 0.00 N ATOM 0 H LYS A 25 13.553 -0.453 -11.925 1.00 0.00 H new ATOM 0 HA LYS A 25 14.838 1.771 -12.814 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.329 2.580 -11.563 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.736 3.310 -10.817 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.636 3.227 -13.830 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.581 4.364 -13.013 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.039 4.686 -11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.509 4.445 -13.356 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.950 6.600 -13.788 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.275 6.205 -13.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.047 7.998 -12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.665 6.638 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.288 7.021 -11.426 1.00 0.00 H new ATOM 406 N LYS A 26 14.514 0.266 -9.964 1.00 0.00 N ATOM 407 CA LYS A 26 15.241 -0.214 -8.801 1.00 0.00 C ATOM 408 C LYS A 26 15.700 -1.652 -9.052 1.00 0.00 C ATOM 409 O LYS A 26 15.424 -2.544 -8.251 1.00 0.00 O ATOM 410 CB LYS A 26 14.396 -0.050 -7.536 1.00 0.00 C ATOM 411 CG LYS A 26 14.547 1.357 -6.955 1.00 0.00 C ATOM 412 CD LYS A 26 15.667 1.403 -5.913 1.00 0.00 C ATOM 413 CE LYS A 26 15.334 2.391 -4.793 1.00 0.00 C ATOM 414 NZ LYS A 26 16.506 3.240 -4.486 1.00 0.00 N ATOM 0 H LYS A 26 13.574 -0.117 -10.067 1.00 0.00 H new ATOM 0 HA LYS A 26 16.137 0.384 -8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.348 -0.242 -7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.699 -0.788 -6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.762 2.064 -7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.608 1.668 -6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.818 0.409 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.602 1.692 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.492 3.016 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.027 1.847 -3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.183 4.175 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.071 2.793 -3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.089 3.349 -5.340 1.00 0.00 H new ATOM 427 N ARG A 27 16.395 -1.832 -10.165 1.00 0.00 N ATOM 428 CA ARG A 27 16.897 -3.146 -10.531 1.00 0.00 C ATOM 429 C ARG A 27 17.942 -3.616 -9.518 1.00 0.00 C ATOM 430 O ARG A 27 17.829 -4.711 -8.968 1.00 0.00 O ATOM 431 CB ARG A 27 17.522 -3.128 -11.927 1.00 0.00 C ATOM 432 CG ARG A 27 16.755 -4.043 -12.883 1.00 0.00 C ATOM 433 CD ARG A 27 17.525 -4.240 -14.191 1.00 0.00 C ATOM 434 NE ARG A 27 18.197 -5.559 -14.189 1.00 0.00 N ATOM 435 CZ ARG A 27 18.570 -6.220 -15.306 1.00 0.00 C ATOM 436 NH1 ARG A 27 18.339 -5.689 -16.525 1.00 0.00 N ATOM 437 NH2 ARG A 27 19.162 -7.394 -15.186 1.00 0.00 N ATOM 0 H ARG A 27 16.623 -1.089 -10.826 1.00 0.00 H new ATOM 0 HA ARG A 27 16.052 -3.835 -10.533 1.00 0.00 H new ATOM 0 HB2 ARG A 27 17.524 -2.110 -12.316 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.562 -3.448 -11.868 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.584 -5.009 -12.408 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.775 -3.614 -13.095 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.843 -4.172 -15.038 1.00 0.00 H new ATOM 0 HD3 ARG A 27 18.263 -3.447 -14.311 1.00 0.00 H new ATOM 0 HE ARG A 27 18.390 -5.996 -13.288 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.880 -4.782 -16.607 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.624 -6.195 -17.364 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.331 -7.788 -14.260 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.450 -7.907 -16.019 1.00 0.00 H new ATOM 450 N PRO A 28 18.960 -2.743 -9.295 1.00 0.00 N ATOM 451 CA PRO A 28 20.024 -3.057 -8.357 1.00 0.00 C ATOM 452 C PRO A 28 19.541 -2.917 -6.912 1.00 0.00 C ATOM 453 O PRO A 28 19.772 -3.800 -6.087 1.00 0.00 O ATOM 454 CB PRO A 28 21.150 -2.097 -8.702 1.00 0.00 C ATOM 455 CG PRO A 28 20.511 -0.976 -9.505 1.00 0.00 C ATOM 456 CD PRO A 28 19.124 -1.437 -9.927 1.00 0.00 C ATOM 0 HA PRO A 28 20.362 -4.090 -8.436 1.00 0.00 H new ATOM 0 HB2 PRO A 28 21.624 -1.710 -7.800 1.00 0.00 H new ATOM 0 HB3 PRO A 28 21.927 -2.598 -9.280 1.00 0.00 H new ATOM 0 HG2 PRO A 28 20.446 -0.067 -8.907 1.00 0.00 H new ATOM 0 HG3 PRO A 28 21.117 -0.739 -10.379 1.00 0.00 H new ATOM 0 HD2 PRO A 28 18.356 -0.738 -9.596 1.00 0.00 H new ATOM 0 HD3 PRO A 28 19.043 -1.509 -11.012 1.00 0.00 H new ATOM 464 N LYS A 29 18.879 -1.799 -6.649 1.00 0.00 N ATOM 465 CA LYS A 29 18.362 -1.531 -5.318 1.00 0.00 C ATOM 466 C LYS A 29 19.531 -1.310 -4.355 1.00 0.00 C ATOM 467 O LYS A 29 20.017 -2.255 -3.737 1.00 0.00 O ATOM 468 CB LYS A 29 17.407 -2.644 -4.880 1.00 0.00 C ATOM 469 CG LYS A 29 16.395 -2.126 -3.857 1.00 0.00 C ATOM 470 CD LYS A 29 16.682 -2.694 -2.465 1.00 0.00 C ATOM 471 CE LYS A 29 15.690 -3.803 -2.111 1.00 0.00 C ATOM 472 NZ LYS A 29 15.701 -4.062 -0.653 1.00 0.00 N ATOM 0 H LYS A 29 18.689 -1.069 -7.335 1.00 0.00 H new ATOM 0 HA LYS A 29 17.771 -0.615 -5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.881 -3.040 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.976 -3.468 -4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.431 -1.037 -3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.387 -2.402 -4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.699 -3.086 -2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.622 -1.897 -1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.687 -3.517 -2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.947 -4.715 -2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.022 -4.817 -0.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.655 -4.356 -0.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.434 -3.195 -0.144 1.00 0.00 H new ATOM 485 N PRO A 30 19.959 -0.023 -4.258 1.00 0.00 N ATOM 486 CA PRO A 30 21.062 0.334 -3.382 1.00 0.00 C ATOM 487 C PRO A 30 20.621 0.333 -1.917 1.00 0.00 C ATOM 488 O PRO A 30 21.447 0.471 -1.016 1.00 0.00 O ATOM 489 CB PRO A 30 21.520 1.701 -3.863 1.00 0.00 C ATOM 490 CG PRO A 30 20.369 2.262 -4.683 1.00 0.00 C ATOM 491 CD PRO A 30 19.407 1.122 -4.976 1.00 0.00 C ATOM 0 HA PRO A 30 21.881 -0.383 -3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 30 21.754 2.353 -3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 30 22.425 1.620 -4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 30 19.863 3.058 -4.136 1.00 0.00 H new ATOM 0 HG3 PRO A 30 20.738 2.698 -5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 30 18.399 1.356 -4.633 1.00 0.00 H new ATOM 0 HD3 PRO A 30 19.341 0.924 -6.046 1.00 0.00 H new TER 499 PRO A 30