USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 247 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 NoAdj-H: A 1 THR H1 : A 1 THR N : A 37 PRO C :(NH2R) USER MOD NoAdj-H: A 1 THR H2 : A 1 THR N : A 37 PRO C :(NH2R) USER MOD Single : A 1 THR N :NH3+ 121:sc= 0.793 (180deg=-0.0942) USER MOD Single : A 1 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.484 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -100:sc= -0.194 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00749 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 174:sc=-0.00858 (180deg=-0.135) USER MOD Single : A 34 ASN : amide:sc= 1.58 K(o=1.6,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.505 7.279 -1.422 1.00 0.00 N ATOM 2 CA THR A 1 4.834 7.421 -2.671 1.00 0.00 C ATOM 3 C THR A 1 4.249 6.062 -2.964 1.00 0.00 C ATOM 4 O THR A 1 4.673 5.078 -2.356 1.00 0.00 O ATOM 5 CB THR A 1 5.810 7.852 -3.796 1.00 0.00 C ATOM 6 OG1 THR A 1 6.565 8.995 -3.378 1.00 0.00 O ATOM 7 CG2 THR A 1 5.065 8.192 -5.080 1.00 0.00 C ATOM 0 H3 THR A 1 6.511 7.513 -1.540 1.00 0.00 H new ATOM 0 HA THR A 1 4.069 8.196 -2.625 1.00 0.00 H new ATOM 0 HB THR A 1 6.478 7.013 -3.993 1.00 0.00 H new ATOM 0 HG1 THR A 1 7.180 9.260 -4.093 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.780 8.490 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 1 4.510 7.318 -5.421 1.00 0.00 H new ATOM 0 HG23 THR A 1 4.372 9.012 -4.892 1.00 0.00 H new ATOM 15 N PHE A 2 3.263 6.017 -3.827 1.00 0.00 N ATOM 16 CA PHE A 2 2.585 4.780 -4.175 1.00 0.00 C ATOM 17 C PHE A 2 3.565 3.623 -4.396 1.00 0.00 C ATOM 18 O PHE A 2 4.303 3.588 -5.382 1.00 0.00 O ATOM 19 CB PHE A 2 1.728 5.032 -5.420 1.00 0.00 C ATOM 20 CG PHE A 2 1.331 3.797 -6.186 1.00 0.00 C ATOM 21 CD1 PHE A 2 0.666 2.752 -5.564 1.00 0.00 C ATOM 22 CD2 PHE A 2 1.624 3.688 -7.537 1.00 0.00 C ATOM 23 CE1 PHE A 2 0.302 1.623 -6.273 1.00 0.00 C ATOM 24 CE2 PHE A 2 1.263 2.561 -8.250 1.00 0.00 C ATOM 25 CZ PHE A 2 0.601 1.528 -7.617 1.00 0.00 C ATOM 0 H PHE A 2 2.903 6.838 -4.313 1.00 0.00 H new ATOM 0 HA PHE A 2 1.950 4.477 -3.342 1.00 0.00 H new ATOM 0 HB2 PHE A 2 0.823 5.559 -5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.275 5.695 -6.090 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.429 2.821 -4.512 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.140 4.494 -8.038 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.216 0.816 -5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.498 2.488 -9.302 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.317 0.647 -8.173 1.00 0.00 H new ATOM 35 N CYS A 3 3.559 2.694 -3.438 1.00 0.00 N ATOM 36 CA CYS A 3 4.420 1.509 -3.466 1.00 0.00 C ATOM 37 C CYS A 3 4.115 0.633 -4.691 1.00 0.00 C ATOM 38 O CYS A 3 3.285 0.982 -5.525 1.00 0.00 O ATOM 39 CB CYS A 3 4.220 0.678 -2.189 1.00 0.00 C ATOM 40 SG CYS A 3 4.197 1.651 -0.646 1.00 0.00 S ATOM 0 H CYS A 3 2.955 2.742 -2.618 1.00 0.00 H new ATOM 0 HA CYS A 3 5.454 1.850 -3.526 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.282 0.130 -2.271 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.017 -0.062 -2.124 1.00 0.00 H new ATOM 45 N GLY A 4 4.782 -0.511 -4.789 1.00 0.00 N ATOM 46 CA GLY A 4 4.556 -1.404 -5.914 1.00 0.00 C ATOM 47 C GLY A 4 3.217 -2.113 -5.839 1.00 0.00 C ATOM 48 O GLY A 4 2.527 -2.275 -6.845 1.00 0.00 O ATOM 0 H GLY A 4 5.473 -0.837 -4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.609 -0.834 -6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.354 -2.146 -5.950 1.00 0.00 H new ATOM 52 N GLU A 5 2.859 -2.541 -4.640 1.00 0.00 N ATOM 53 CA GLU A 5 1.604 -3.243 -4.412 1.00 0.00 C ATOM 54 C GLU A 5 0.416 -2.291 -4.362 1.00 0.00 C ATOM 55 O GLU A 5 0.573 -1.076 -4.262 1.00 0.00 O ATOM 56 CB GLU A 5 1.668 -4.005 -3.099 1.00 0.00 C ATOM 57 CG GLU A 5 2.199 -5.420 -3.211 1.00 0.00 C ATOM 58 CD GLU A 5 2.484 -5.984 -1.848 1.00 0.00 C ATOM 59 OE1 GLU A 5 2.854 -5.190 -0.958 1.00 0.00 O ATOM 60 OE2 GLU A 5 2.378 -7.209 -1.664 1.00 0.00 O ATOM 0 H GLU A 5 3.425 -2.414 -3.801 1.00 0.00 H new ATOM 0 HA GLU A 5 1.464 -3.927 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.297 -3.450 -2.403 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.668 -4.040 -2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.472 -6.048 -3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.109 -5.427 -3.812 1.00 0.00 H new ATOM 67 N THR A 6 -0.776 -2.871 -4.394 1.00 0.00 N ATOM 68 CA THR A 6 -2.006 -2.108 -4.321 1.00 0.00 C ATOM 69 C THR A 6 -2.963 -2.744 -3.318 1.00 0.00 C ATOM 70 O THR A 6 -3.373 -3.891 -3.475 1.00 0.00 O ATOM 71 CB THR A 6 -2.698 -2.019 -5.695 1.00 0.00 C ATOM 72 OG1 THR A 6 -2.573 -3.270 -6.391 1.00 0.00 O ATOM 73 CG2 THR A 6 -2.104 -0.902 -6.539 1.00 0.00 C ATOM 0 H THR A 6 -0.913 -3.879 -4.471 1.00 0.00 H new ATOM 0 HA THR A 6 -1.747 -1.100 -3.997 1.00 0.00 H new ATOM 0 HB THR A 6 -3.752 -1.798 -5.527 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.017 -3.205 -7.262 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.613 -0.864 -7.502 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.231 0.050 -6.024 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.042 -1.090 -6.697 1.00 0.00 H new ATOM 81 N CYS A 7 -3.316 -1.996 -2.293 1.00 0.00 N ATOM 82 CA CYS A 7 -4.232 -2.474 -1.268 1.00 0.00 C ATOM 83 C CYS A 7 -5.669 -2.109 -1.644 1.00 0.00 C ATOM 84 O CYS A 7 -6.275 -1.238 -1.027 1.00 0.00 O ATOM 85 CB CYS A 7 -3.849 -1.879 0.092 1.00 0.00 C ATOM 86 SG CYS A 7 -3.138 -0.212 -0.035 1.00 0.00 S ATOM 0 H CYS A 7 -2.980 -1.044 -2.144 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.164 -3.559 -1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.733 -1.843 0.728 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.131 -2.538 0.581 1.00 0.00 H new ATOM 91 N ARG A 8 -6.175 -2.770 -2.686 1.00 0.00 N ATOM 92 CA ARG A 8 -7.529 -2.530 -3.209 1.00 0.00 C ATOM 93 C ARG A 8 -8.629 -2.966 -2.233 1.00 0.00 C ATOM 94 O ARG A 8 -8.722 -2.477 -1.109 1.00 0.00 O ATOM 95 CB ARG A 8 -7.723 -3.254 -4.558 1.00 0.00 C ATOM 96 CG ARG A 8 -7.288 -4.716 -4.571 1.00 0.00 C ATOM 97 CD ARG A 8 -5.827 -4.884 -4.963 1.00 0.00 C ATOM 98 NE ARG A 8 -5.343 -6.239 -4.691 1.00 0.00 N ATOM 99 CZ ARG A 8 -4.117 -6.678 -4.991 1.00 0.00 C ATOM 100 NH1 ARG A 8 -3.246 -5.883 -5.604 1.00 0.00 N ATOM 101 NH2 ARG A 8 -3.761 -7.918 -4.670 1.00 0.00 N ATOM 0 H ARG A 8 -5.660 -3.489 -3.195 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.620 -1.453 -3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.776 -3.201 -4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.165 -2.717 -5.325 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.448 -5.149 -3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.915 -5.272 -5.268 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.707 -4.661 -6.023 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.219 -4.164 -4.415 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.985 -6.892 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.511 -4.929 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.312 -6.227 -5.829 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.423 -8.532 -4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.826 -8.255 -4.898 1.00 0.00 H new ATOM 115 N VAL A 9 -9.459 -3.900 -2.683 1.00 0.00 N ATOM 116 CA VAL A 9 -10.563 -4.410 -1.867 1.00 0.00 C ATOM 117 C VAL A 9 -10.029 -5.524 -0.974 1.00 0.00 C ATOM 118 O VAL A 9 -10.634 -5.909 0.025 1.00 0.00 O ATOM 119 CB VAL A 9 -11.738 -4.919 -2.739 1.00 0.00 C ATOM 120 CG1 VAL A 9 -11.338 -6.137 -3.556 1.00 0.00 C ATOM 121 CG2 VAL A 9 -12.962 -5.219 -1.885 1.00 0.00 C ATOM 0 H VAL A 9 -9.391 -4.322 -3.609 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.958 -3.598 -1.257 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.997 -4.122 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.186 -6.467 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.508 -5.878 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.033 -6.940 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.772 -5.575 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.714 -5.986 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.277 -4.312 -1.370 1.00 0.00 H new ATOM 131 N ILE A 10 -8.825 -5.949 -1.307 1.00 0.00 N ATOM 132 CA ILE A 10 -8.082 -6.922 -0.533 1.00 0.00 C ATOM 133 C ILE A 10 -6.728 -6.276 -0.259 1.00 0.00 C ATOM 134 O ILE A 10 -5.742 -6.525 -0.953 1.00 0.00 O ATOM 135 CB ILE A 10 -7.926 -8.309 -1.225 1.00 0.00 C ATOM 136 CG1 ILE A 10 -7.358 -8.199 -2.654 1.00 0.00 C ATOM 137 CG2 ILE A 10 -9.262 -9.040 -1.235 1.00 0.00 C ATOM 138 CD1 ILE A 10 -8.389 -7.915 -3.728 1.00 0.00 C ATOM 0 H ILE A 10 -8.329 -5.622 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.626 -7.157 0.382 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.203 -8.881 -0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.608 -7.408 -2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.846 -9.129 -2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.143 -10.009 -1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.604 -9.187 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.997 -8.448 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.896 -7.855 -4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.127 -8.717 -3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.886 -6.969 -3.514 1.00 0.00 H new ATOM 150 N PRO A 11 -6.707 -5.340 0.705 1.00 0.00 N ATOM 151 CA PRO A 11 -5.519 -4.553 1.030 1.00 0.00 C ATOM 152 C PRO A 11 -4.394 -5.317 1.707 1.00 0.00 C ATOM 153 O PRO A 11 -4.193 -6.510 1.494 1.00 0.00 O ATOM 154 CB PRO A 11 -6.042 -3.466 1.985 1.00 0.00 C ATOM 155 CG PRO A 11 -7.519 -3.495 1.855 1.00 0.00 C ATOM 156 CD PRO A 11 -7.866 -4.909 1.505 1.00 0.00 C ATOM 0 HA PRO A 11 -5.068 -4.187 0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.735 -3.666 3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.645 -2.487 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.000 -3.192 2.785 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.858 -2.806 1.082 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.996 -5.526 2.394 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.794 -4.969 0.937 1.00 0.00 H new ATOM 164 N VAL A 12 -3.666 -4.566 2.523 1.00 0.00 N ATOM 165 CA VAL A 12 -2.530 -5.056 3.276 1.00 0.00 C ATOM 166 C VAL A 12 -1.375 -5.425 2.358 1.00 0.00 C ATOM 167 O VAL A 12 -1.129 -6.597 2.072 1.00 0.00 O ATOM 168 CB VAL A 12 -2.877 -6.250 4.198 1.00 0.00 C ATOM 169 CG1 VAL A 12 -1.707 -6.583 5.114 1.00 0.00 C ATOM 170 CG2 VAL A 12 -4.129 -5.961 5.017 1.00 0.00 C ATOM 0 H VAL A 12 -3.858 -3.577 2.680 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.226 -4.231 3.920 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.076 -7.115 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.973 -7.425 5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.837 -6.845 4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.472 -5.717 5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.351 -6.816 5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.964 -5.079 5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.969 -5.782 4.346 1.00 0.00 H new ATOM 180 N CYS A 13 -0.669 -4.397 1.913 1.00 0.00 N ATOM 181 CA CYS A 13 0.483 -4.567 1.039 1.00 0.00 C ATOM 182 C CYS A 13 1.527 -5.413 1.772 1.00 0.00 C ATOM 183 O CYS A 13 2.166 -4.929 2.698 1.00 0.00 O ATOM 184 CB CYS A 13 1.062 -3.188 0.710 1.00 0.00 C ATOM 185 SG CYS A 13 -0.184 -1.850 0.738 1.00 0.00 S ATOM 0 H CYS A 13 -0.876 -3.426 2.146 1.00 0.00 H new ATOM 0 HA CYS A 13 0.195 -5.065 0.113 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.851 -2.954 1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.525 -3.223 -0.276 1.00 0.00 H new ATOM 190 N THR A 14 1.655 -6.680 1.394 1.00 0.00 N ATOM 191 CA THR A 14 2.579 -7.599 2.057 1.00 0.00 C ATOM 192 C THR A 14 4.038 -7.436 1.600 1.00 0.00 C ATOM 193 O THR A 14 4.956 -7.450 2.420 1.00 0.00 O ATOM 194 CB THR A 14 2.131 -9.055 1.829 1.00 0.00 C ATOM 195 OG1 THR A 14 0.738 -9.185 2.148 1.00 0.00 O ATOM 196 CG2 THR A 14 2.939 -10.019 2.687 1.00 0.00 C ATOM 0 H THR A 14 1.128 -7.098 0.627 1.00 0.00 H new ATOM 0 HA THR A 14 2.548 -7.350 3.118 1.00 0.00 H new ATOM 0 HB THR A 14 2.298 -9.304 0.781 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.454 -10.111 2.001 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.601 -11.039 2.505 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.995 -9.936 2.431 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.800 -9.773 3.740 1.00 0.00 H new ATOM 204 N TYR A 15 4.246 -7.282 0.304 1.00 0.00 N ATOM 205 CA TYR A 15 5.585 -7.123 -0.255 1.00 0.00 C ATOM 206 C TYR A 15 6.146 -5.767 0.134 1.00 0.00 C ATOM 207 O TYR A 15 7.295 -5.634 0.557 1.00 0.00 O ATOM 208 CB TYR A 15 5.522 -7.228 -1.784 1.00 0.00 C ATOM 209 CG TYR A 15 6.865 -7.348 -2.464 1.00 0.00 C ATOM 210 CD1 TYR A 15 7.605 -6.222 -2.808 1.00 0.00 C ATOM 211 CD2 TYR A 15 7.391 -8.592 -2.758 1.00 0.00 C ATOM 212 CE1 TYR A 15 8.833 -6.341 -3.430 1.00 0.00 C ATOM 213 CE2 TYR A 15 8.619 -8.723 -3.378 1.00 0.00 C ATOM 214 CZ TYR A 15 9.336 -7.593 -3.713 1.00 0.00 C ATOM 215 OH TYR A 15 10.558 -7.717 -4.331 1.00 0.00 O ATOM 0 H TYR A 15 3.499 -7.263 -0.390 1.00 0.00 H new ATOM 0 HA TYR A 15 6.231 -7.908 0.137 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.916 -8.094 -2.050 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.010 -6.349 -2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.214 -5.240 -2.586 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.832 -9.479 -2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.396 -5.458 -3.693 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.015 -9.703 -3.599 1.00 0.00 H new ATOM 0 HH TYR A 15 10.766 -8.666 -4.457 1.00 0.00 H new ATOM 225 N SER A 16 5.306 -4.766 -0.022 1.00 0.00 N ATOM 226 CA SER A 16 5.657 -3.395 0.288 1.00 0.00 C ATOM 227 C SER A 16 5.643 -3.154 1.798 1.00 0.00 C ATOM 228 O SER A 16 6.075 -2.103 2.276 1.00 0.00 O ATOM 229 CB SER A 16 4.681 -2.465 -0.433 1.00 0.00 C ATOM 230 OG SER A 16 4.555 -2.826 -1.801 1.00 0.00 O ATOM 0 H SER A 16 4.354 -4.881 -0.370 1.00 0.00 H new ATOM 0 HA SER A 16 6.671 -3.189 -0.056 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.705 -2.510 0.051 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.029 -1.435 -0.355 1.00 0.00 H new ATOM 0 HG SER A 16 5.108 -2.230 -2.349 1.00 0.00 H new ATOM 236 N ALA A 17 5.146 -4.135 2.548 1.00 0.00 N ATOM 237 CA ALA A 17 5.075 -4.023 4.002 1.00 0.00 C ATOM 238 C ALA A 17 6.462 -3.916 4.630 1.00 0.00 C ATOM 239 O ALA A 17 6.599 -3.403 5.737 1.00 0.00 O ATOM 240 CB ALA A 17 4.334 -5.204 4.610 1.00 0.00 C ATOM 0 H ALA A 17 4.788 -5.014 2.174 1.00 0.00 H new ATOM 0 HA ALA A 17 4.525 -3.107 4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.298 -5.092 5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.319 -5.239 4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.854 -6.128 4.358 1.00 0.00 H new ATOM 246 N ALA A 18 7.485 -4.407 3.924 1.00 0.00 N ATOM 247 CA ALA A 18 8.863 -4.362 4.422 1.00 0.00 C ATOM 248 C ALA A 18 9.247 -2.936 4.808 1.00 0.00 C ATOM 249 O ALA A 18 9.848 -2.696 5.852 1.00 0.00 O ATOM 250 CB ALA A 18 9.821 -4.907 3.373 1.00 0.00 C ATOM 0 H ALA A 18 7.385 -4.840 3.006 1.00 0.00 H new ATOM 0 HA ALA A 18 8.930 -4.987 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.841 -4.868 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.559 -5.940 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.750 -4.304 2.467 1.00 0.00 H new ATOM 256 N LEU A 19 8.853 -1.996 3.963 1.00 0.00 N ATOM 257 CA LEU A 19 9.098 -0.576 4.196 1.00 0.00 C ATOM 258 C LEU A 19 8.096 0.025 5.154 1.00 0.00 C ATOM 259 O LEU A 19 8.255 1.158 5.594 1.00 0.00 O ATOM 260 CB LEU A 19 9.046 0.199 2.885 1.00 0.00 C ATOM 261 CG LEU A 19 10.390 0.455 2.214 1.00 0.00 C ATOM 262 CD1 LEU A 19 11.292 -0.770 2.282 1.00 0.00 C ATOM 263 CD2 LEU A 19 10.188 0.877 0.770 1.00 0.00 C ATOM 0 H LEU A 19 8.354 -2.193 3.095 1.00 0.00 H new ATOM 0 HA LEU A 19 10.091 -0.500 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.410 -0.346 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.565 1.159 3.071 1.00 0.00 H new ATOM 0 HG LEU A 19 10.882 1.263 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.241 -0.550 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.472 -1.032 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.809 -1.606 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.157 1.056 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.666 0.087 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.595 1.791 0.738 1.00 0.00 H new ATOM 275 N GLY A 20 7.051 -0.718 5.433 1.00 0.00 N ATOM 276 CA GLY A 20 6.007 -0.226 6.296 1.00 0.00 C ATOM 277 C GLY A 20 5.056 0.627 5.502 1.00 0.00 C ATOM 278 O GLY A 20 4.544 1.633 5.992 1.00 0.00 O ATOM 0 H GLY A 20 6.903 -1.662 5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.472 -1.061 6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.439 0.355 7.111 1.00 0.00 H new ATOM 282 N CYS A 21 4.845 0.212 4.253 1.00 0.00 N ATOM 283 CA CYS A 21 3.969 0.914 3.331 1.00 0.00 C ATOM 284 C CYS A 21 2.591 1.133 3.945 1.00 0.00 C ATOM 285 O CYS A 21 1.847 0.181 4.193 1.00 0.00 O ATOM 286 CB CYS A 21 3.856 0.125 2.017 1.00 0.00 C ATOM 287 SG CYS A 21 5.143 0.519 0.764 1.00 0.00 S ATOM 0 H CYS A 21 5.280 -0.622 3.857 1.00 0.00 H new ATOM 0 HA CYS A 21 4.399 1.893 3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.905 -0.940 2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.875 0.313 1.580 1.00 0.00 H new ATOM 292 N THR A 22 2.259 2.393 4.186 1.00 0.00 N ATOM 293 CA THR A 22 0.985 2.744 4.763 1.00 0.00 C ATOM 294 C THR A 22 -0.046 2.959 3.676 1.00 0.00 C ATOM 295 O THR A 22 0.162 3.706 2.726 1.00 0.00 O ATOM 296 CB THR A 22 1.073 4.001 5.636 1.00 0.00 C ATOM 297 OG1 THR A 22 1.784 5.038 4.944 1.00 0.00 O ATOM 298 CG2 THR A 22 1.761 3.700 6.959 1.00 0.00 C ATOM 0 H THR A 22 2.865 3.189 3.986 1.00 0.00 H new ATOM 0 HA THR A 22 0.684 1.911 5.399 1.00 0.00 H new ATOM 0 HB THR A 22 0.057 4.338 5.844 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.832 5.836 5.511 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.810 4.609 7.559 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.196 2.940 7.498 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.771 3.336 6.769 1.00 0.00 H new ATOM 306 N CYS A 23 -1.145 2.277 3.818 1.00 0.00 N ATOM 307 CA CYS A 23 -2.224 2.361 2.855 1.00 0.00 C ATOM 308 C CYS A 23 -3.242 3.433 3.264 1.00 0.00 C ATOM 309 O CYS A 23 -2.881 4.488 3.783 1.00 0.00 O ATOM 310 CB CYS A 23 -2.892 0.984 2.728 1.00 0.00 C ATOM 311 SG CYS A 23 -4.116 0.844 1.384 1.00 0.00 S ATOM 0 H CYS A 23 -1.326 1.647 4.599 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.820 2.653 1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.117 0.233 2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.382 0.746 3.672 1.00 0.00 H new ATOM 316 N ASP A 24 -4.507 3.119 3.037 1.00 0.00 N ATOM 317 CA ASP A 24 -5.629 3.985 3.372 1.00 0.00 C ATOM 318 C ASP A 24 -6.748 3.099 3.918 1.00 0.00 C ATOM 319 O ASP A 24 -7.083 3.167 5.099 1.00 0.00 O ATOM 320 CB ASP A 24 -6.096 4.740 2.121 1.00 0.00 C ATOM 321 CG ASP A 24 -7.077 5.860 2.420 1.00 0.00 C ATOM 322 OD1 ASP A 24 -7.344 6.125 3.609 1.00 0.00 O ATOM 323 OD2 ASP A 24 -7.564 6.488 1.455 1.00 0.00 O ATOM 0 H ASP A 24 -4.790 2.239 2.607 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.340 4.725 4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.227 5.156 1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.561 4.034 1.433 1.00 0.00 H new ATOM 328 N ASP A 25 -7.261 2.221 3.042 1.00 0.00 N ATOM 329 CA ASP A 25 -8.307 1.240 3.386 1.00 0.00 C ATOM 330 C ASP A 25 -9.636 1.885 3.679 1.00 0.00 C ATOM 331 O ASP A 25 -9.746 2.762 4.534 1.00 0.00 O ATOM 332 CB ASP A 25 -7.840 0.333 4.544 1.00 0.00 C ATOM 333 CG ASP A 25 -8.838 -0.746 4.956 1.00 0.00 C ATOM 334 OD1 ASP A 25 -9.947 -0.823 4.385 1.00 0.00 O ATOM 335 OD2 ASP A 25 -8.514 -1.524 5.876 1.00 0.00 O ATOM 0 H ASP A 25 -6.961 2.170 2.068 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.467 0.615 2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.905 -0.148 4.256 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.623 0.957 5.411 1.00 0.00 H new ATOM 340 N ARG A 26 -10.623 1.400 2.902 1.00 0.00 N ATOM 341 CA ARG A 26 -12.023 1.822 2.921 1.00 0.00 C ATOM 342 C ARG A 26 -12.397 2.262 1.538 1.00 0.00 C ATOM 343 O ARG A 26 -11.819 3.203 1.000 1.00 0.00 O ATOM 344 CB ARG A 26 -12.332 2.903 3.947 1.00 0.00 C ATOM 345 CG ARG A 26 -12.821 2.368 5.294 1.00 0.00 C ATOM 346 CD ARG A 26 -12.014 1.163 5.758 1.00 0.00 C ATOM 347 NE ARG A 26 -12.526 0.588 7.002 1.00 0.00 N ATOM 348 CZ ARG A 26 -12.056 -0.540 7.539 1.00 0.00 C ATOM 349 NH1 ARG A 26 -11.111 -1.232 6.914 1.00 0.00 N ATOM 350 NH2 ARG A 26 -12.541 -0.982 8.696 1.00 0.00 N ATOM 0 H ARG A 26 -10.450 0.668 2.213 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.625 0.969 3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.435 3.500 4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.090 3.571 3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.756 3.158 6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.872 2.091 5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.025 0.401 4.979 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.975 1.459 5.900 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.282 1.075 7.484 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.743 -0.902 6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.753 -2.094 7.326 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.274 -0.459 9.175 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.180 -1.844 9.104 1.00 0.00 H new ATOM 364 N SER A 27 -13.312 1.497 0.941 1.00 0.00 N ATOM 365 CA SER A 27 -13.745 1.696 -0.436 1.00 0.00 C ATOM 366 C SER A 27 -12.680 1.084 -1.341 1.00 0.00 C ATOM 367 O SER A 27 -12.988 0.384 -2.304 1.00 0.00 O ATOM 368 CB SER A 27 -13.968 3.175 -0.758 1.00 0.00 C ATOM 369 OG SER A 27 -14.779 3.794 0.229 1.00 0.00 O ATOM 0 H SER A 27 -13.775 0.716 1.406 1.00 0.00 H new ATOM 0 HA SER A 27 -14.707 1.210 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.007 3.687 -0.818 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.441 3.271 -1.735 1.00 0.00 H new ATOM 0 HG SER A 27 -14.906 4.739 0.002 1.00 0.00 H new ATOM 375 N ASP A 28 -11.428 1.324 -0.954 1.00 0.00 N ATOM 376 CA ASP A 28 -10.247 0.804 -1.619 1.00 0.00 C ATOM 377 C ASP A 28 -9.028 1.387 -0.910 1.00 0.00 C ATOM 378 O ASP A 28 -9.057 1.544 0.312 1.00 0.00 O ATOM 379 CB ASP A 28 -10.243 1.163 -3.113 1.00 0.00 C ATOM 380 CG ASP A 28 -9.337 0.265 -3.934 1.00 0.00 C ATOM 381 OD1 ASP A 28 -9.741 -0.879 -4.231 1.00 0.00 O ATOM 382 OD2 ASP A 28 -8.213 0.697 -4.264 1.00 0.00 O ATOM 0 H ASP A 28 -11.207 1.904 -0.144 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.233 -0.285 -1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.260 1.096 -3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.924 2.199 -3.232 1.00 0.00 H new ATOM 387 N GLY A 29 -7.981 1.735 -1.640 1.00 0.00 N ATOM 388 CA GLY A 29 -6.823 2.319 -1.001 1.00 0.00 C ATOM 389 C GLY A 29 -5.713 2.630 -1.954 1.00 0.00 C ATOM 390 O GLY A 29 -5.950 2.956 -3.117 1.00 0.00 O ATOM 0 H GLY A 29 -7.912 1.625 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.122 3.235 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.455 1.634 -0.237 1.00 0.00 H new ATOM 394 N LEU A 30 -4.494 2.546 -1.433 1.00 0.00 N ATOM 395 CA LEU A 30 -3.300 2.843 -2.193 1.00 0.00 C ATOM 396 C LEU A 30 -2.087 2.766 -1.254 1.00 0.00 C ATOM 397 O LEU A 30 -1.997 3.529 -0.292 1.00 0.00 O ATOM 398 CB LEU A 30 -3.467 4.252 -2.773 1.00 0.00 C ATOM 399 CG LEU A 30 -2.555 4.651 -3.939 1.00 0.00 C ATOM 400 CD1 LEU A 30 -1.114 4.789 -3.495 1.00 0.00 C ATOM 401 CD2 LEU A 30 -2.673 3.644 -5.073 1.00 0.00 C ATOM 0 H LEU A 30 -4.313 2.269 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.145 2.133 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.500 4.360 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.314 4.968 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.883 5.626 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.496 5.073 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.043 5.556 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.764 3.838 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.020 3.941 -5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.380 2.657 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.704 3.611 -5.424 1.00 0.00 H new ATOM 413 N CYS A 31 -1.172 1.839 -1.522 1.00 0.00 N ATOM 414 CA CYS A 31 0.016 1.663 -0.682 1.00 0.00 C ATOM 415 C CYS A 31 0.950 2.866 -0.792 1.00 0.00 C ATOM 416 O CYS A 31 1.205 3.363 -1.888 1.00 0.00 O ATOM 417 CB CYS A 31 0.780 0.397 -1.084 1.00 0.00 C ATOM 418 SG CYS A 31 -0.228 -1.123 -1.157 1.00 0.00 S ATOM 0 H CYS A 31 -1.227 1.197 -2.313 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.325 1.570 0.349 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.235 0.560 -2.061 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.594 0.242 -0.375 1.00 0.00 H new ATOM 423 N LYS A 32 1.463 3.333 0.336 1.00 0.00 N ATOM 424 CA LYS A 32 2.365 4.471 0.343 1.00 0.00 C ATOM 425 C LYS A 32 3.675 4.100 1.031 1.00 0.00 C ATOM 426 O LYS A 32 3.683 3.387 2.024 1.00 0.00 O ATOM 427 CB LYS A 32 1.692 5.664 1.008 1.00 0.00 C ATOM 428 CG LYS A 32 2.147 6.998 0.448 1.00 0.00 C ATOM 429 CD LYS A 32 1.837 7.068 -1.045 1.00 0.00 C ATOM 430 CE LYS A 32 0.370 6.788 -1.324 1.00 0.00 C ATOM 431 NZ LYS A 32 -0.537 7.697 -0.565 1.00 0.00 N ATOM 0 H LYS A 32 1.269 2.941 1.257 1.00 0.00 H new ATOM 0 HA LYS A 32 2.602 4.754 -0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.612 5.577 0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.897 5.638 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.645 7.812 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.217 7.125 0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.099 8.055 -1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.454 6.346 -1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.179 6.897 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.144 5.754 -1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.520 7.536 -0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.449 7.504 0.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.275 8.686 -0.754 1.00 0.00 H new ATOM 445 N ARG A 33 4.778 4.530 0.439 1.00 0.00 N ATOM 446 CA ARG A 33 6.123 4.189 0.914 1.00 0.00 C ATOM 447 C ARG A 33 6.531 4.996 2.159 1.00 0.00 C ATOM 448 O ARG A 33 5.695 5.610 2.813 1.00 0.00 O ATOM 449 CB ARG A 33 7.094 4.470 -0.247 1.00 0.00 C ATOM 450 CG ARG A 33 8.438 3.766 -0.173 1.00 0.00 C ATOM 451 CD ARG A 33 9.380 4.284 -1.255 1.00 0.00 C ATOM 452 NE ARG A 33 10.673 3.602 -1.239 1.00 0.00 N ATOM 453 CZ ARG A 33 11.703 3.936 -2.023 1.00 0.00 C ATOM 454 NH1 ARG A 33 11.620 4.980 -2.841 1.00 0.00 N ATOM 455 NH2 ARG A 33 12.830 3.231 -1.973 1.00 0.00 N ATOM 0 H ARG A 33 4.773 5.128 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 33 6.147 3.141 1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.607 4.185 -1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.271 5.545 -0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.883 3.924 0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.298 2.691 -0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.915 4.153 -2.232 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.535 5.354 -1.117 1.00 0.00 H new ATOM 0 HE ARG A 33 10.797 2.824 -0.591 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.765 5.535 -2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.412 5.227 -3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.907 2.437 -1.337 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.617 3.484 -2.570 1.00 0.00 H new ATOM 469 N ASN A 34 7.831 4.987 2.455 1.00 0.00 N ATOM 470 CA ASN A 34 8.419 5.702 3.591 1.00 0.00 C ATOM 471 C ASN A 34 9.815 6.137 3.192 1.00 0.00 C ATOM 472 O ASN A 34 10.433 5.493 2.343 1.00 0.00 O ATOM 473 CB ASN A 34 8.490 4.825 4.824 1.00 0.00 C ATOM 474 CG ASN A 34 7.149 4.606 5.486 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.457 5.554 5.851 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.790 3.348 5.660 1.00 0.00 N ATOM 0 H ASN A 34 8.518 4.474 1.903 1.00 0.00 H new ATOM 0 HA ASN A 34 7.795 6.561 3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.913 3.859 4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.172 5.278 5.544 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.904 3.129 6.115 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.399 2.595 5.340 1.00 0.00 H new ATOM 483 N GLY A 35 10.283 7.262 3.728 1.00 0.00 N ATOM 484 CA GLY A 35 11.584 7.794 3.324 1.00 0.00 C ATOM 485 C GLY A 35 11.400 8.558 2.028 1.00 0.00 C ATOM 486 O GLY A 35 11.898 9.665 1.843 1.00 0.00 O ATOM 0 H GLY A 35 9.792 7.815 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.984 8.449 4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.301 6.984 3.190 1.00 0.00 H new ATOM 490 N ASP A 36 10.592 7.942 1.187 1.00 0.00 N ATOM 491 CA ASP A 36 10.158 8.453 -0.096 1.00 0.00 C ATOM 492 C ASP A 36 8.702 7.983 -0.274 1.00 0.00 C ATOM 493 O ASP A 36 8.368 7.274 -1.220 1.00 0.00 O ATOM 494 CB ASP A 36 11.071 7.916 -1.211 1.00 0.00 C ATOM 495 CG ASP A 36 10.559 8.206 -2.612 1.00 0.00 C ATOM 496 OD1 ASP A 36 10.362 9.387 -2.947 1.00 0.00 O ATOM 497 OD2 ASP A 36 10.361 7.232 -3.377 1.00 0.00 O ATOM 0 H ASP A 36 10.201 7.023 1.393 1.00 0.00 H new ATOM 0 HA ASP A 36 10.214 9.540 -0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.063 8.353 -1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.182 6.838 -1.090 1.00 0.00 H new ATOM 502 N PRO A 37 7.817 8.300 0.711 1.00 0.00 N ATOM 503 CA PRO A 37 6.408 7.856 0.709 1.00 0.00 C ATOM 504 C PRO A 37 5.653 8.261 -0.545 1.00 0.00 C ATOM 505 O PRO A 37 5.218 9.401 -0.703 1.00 0.00 O ATOM 506 CB PRO A 37 5.861 8.512 1.990 1.00 0.00 C ATOM 507 CG PRO A 37 7.065 8.463 2.848 1.00 0.00 C ATOM 508 CD PRO A 37 8.104 9.049 1.952 1.00 0.00 C ATOM 0 HA PRO A 37 6.297 6.772 0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.514 9.531 1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.025 7.958 2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.939 9.043 3.762 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.312 7.445 3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.988 10.126 1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.116 8.878 2.318 1.00 0.00 H new TER 516 PRO A 37