USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 299 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 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 84:sc= 0.254 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 30 ASN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -15.211 -6.255 -9.652 1.00 0.00 N ATOM 2 CA LYS A 1 -15.373 -4.812 -9.293 1.00 0.00 C ATOM 3 C LYS A 1 -14.512 -4.473 -8.068 1.00 0.00 C ATOM 4 O LYS A 1 -14.589 -5.138 -7.050 1.00 0.00 O ATOM 5 CB LYS A 1 -16.861 -4.619 -8.974 1.00 0.00 C ATOM 6 CG LYS A 1 -17.596 -4.091 -10.211 1.00 0.00 C ATOM 7 CD LYS A 1 -19.097 -4.364 -10.071 1.00 0.00 C ATOM 8 CE LYS A 1 -19.879 -3.494 -11.064 1.00 0.00 C ATOM 9 NZ LYS A 1 -21.182 -3.198 -10.401 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.798 -6.474 -10.482 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.213 -6.448 -9.873 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.509 -6.848 -8.851 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.054 -4.157 -10.104 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -17.299 -5.565 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.977 -3.920 -8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -17.419 -3.021 -10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -17.210 -4.573 -11.109 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -19.303 -5.418 -10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -19.421 -4.150 -9.053 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -19.338 -2.576 -11.291 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -20.030 -4.017 -12.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -21.764 -2.606 -11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -21.681 -4.089 -10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -21.010 -2.692 -9.509 1.00 0.00 H new ATOM 22 N LEU A 2 -13.702 -3.445 -8.166 1.00 0.00 N ATOM 23 CA LEU A 2 -12.829 -3.041 -7.018 1.00 0.00 C ATOM 24 C LEU A 2 -13.389 -1.762 -6.373 1.00 0.00 C ATOM 25 O LEU A 2 -12.666 -0.821 -6.096 1.00 0.00 O ATOM 26 CB LEU A 2 -11.450 -2.799 -7.643 1.00 0.00 C ATOM 27 CG LEU A 2 -10.365 -2.912 -6.570 1.00 0.00 C ATOM 28 CD1 LEU A 2 -9.891 -4.363 -6.467 1.00 0.00 C ATOM 29 CD2 LEU A 2 -9.186 -2.008 -6.941 1.00 0.00 C ATOM 0 H LEU A 2 -13.608 -2.864 -8.999 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.779 -3.792 -6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.268 -3.525 -8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.418 -1.811 -8.103 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.772 -2.600 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.118 -4.440 -5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.732 -5.002 -6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.484 -4.682 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.412 -2.087 -6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.779 -2.318 -7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.526 -0.975 -7.006 1.00 0.00 H new ATOM 41 N PHE A 3 -14.679 -1.727 -6.134 1.00 0.00 N ATOM 42 CA PHE A 3 -15.316 -0.522 -5.512 1.00 0.00 C ATOM 43 C PHE A 3 -16.151 -0.943 -4.292 1.00 0.00 C ATOM 44 O PHE A 3 -16.010 -2.050 -3.802 1.00 0.00 O ATOM 45 CB PHE A 3 -16.210 0.074 -6.615 1.00 0.00 C ATOM 46 CG PHE A 3 -15.393 0.367 -7.858 1.00 0.00 C ATOM 47 CD1 PHE A 3 -14.584 1.509 -7.916 1.00 0.00 C ATOM 48 CD2 PHE A 3 -15.449 -0.508 -8.950 1.00 0.00 C ATOM 49 CE1 PHE A 3 -13.831 1.773 -9.065 1.00 0.00 C ATOM 50 CE2 PHE A 3 -14.695 -0.243 -10.099 1.00 0.00 C ATOM 51 CZ PHE A 3 -13.887 0.899 -10.157 1.00 0.00 C ATOM 0 H PHE A 3 -15.323 -2.489 -6.345 1.00 0.00 H new ATOM 0 HA PHE A 3 -14.583 0.203 -5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -17.013 -0.622 -6.856 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -16.679 0.990 -6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -14.542 2.185 -7.075 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -16.074 -1.388 -8.906 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -13.206 2.652 -9.110 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -14.736 -0.919 -10.940 1.00 0.00 H new ATOM 0 HZ PHE A 3 -13.307 1.106 -11.044 1.00 0.00 H new ATOM 61 N LEU A 4 -17.014 -0.068 -3.811 1.00 0.00 N ATOM 62 CA LEU A 4 -17.885 -0.374 -2.624 1.00 0.00 C ATOM 63 C LEU A 4 -17.056 -0.972 -1.473 1.00 0.00 C ATOM 64 O LEU A 4 -15.919 -0.572 -1.289 1.00 0.00 O ATOM 65 CB LEU A 4 -18.961 -1.344 -3.142 1.00 0.00 C ATOM 66 CG LEU A 4 -19.788 -0.679 -4.250 1.00 0.00 C ATOM 67 CD1 LEU A 4 -19.408 -1.276 -5.609 1.00 0.00 C ATOM 68 CD2 LEU A 4 -21.277 -0.920 -3.991 1.00 0.00 C ATOM 0 H LEU A 4 -17.152 0.864 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 4 -18.345 0.522 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -18.490 -2.250 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -19.614 -1.645 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 4 -19.585 0.392 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -19.998 -0.801 -6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -18.348 -1.105 -5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -19.607 -2.348 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -21.864 -0.447 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -21.476 -1.992 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -21.552 -0.493 -3.027 1.00 0.00 H new ATOM 80 N ALA A 5 -17.597 -1.903 -0.697 1.00 0.00 N ATOM 81 CA ALA A 5 -16.828 -2.506 0.447 1.00 0.00 C ATOM 82 C ALA A 5 -16.314 -1.374 1.341 1.00 0.00 C ATOM 83 O ALA A 5 -15.158 -1.350 1.713 1.00 0.00 O ATOM 84 CB ALA A 5 -15.676 -3.301 -0.192 1.00 0.00 C ATOM 0 H ALA A 5 -18.542 -2.268 -0.813 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.433 -3.164 1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.077 -3.766 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -16.085 -4.074 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -15.050 -2.627 -0.777 1.00 0.00 H new ATOM 90 N ARG A 6 -17.178 -0.423 1.659 1.00 0.00 N ATOM 91 CA ARG A 6 -16.779 0.752 2.505 1.00 0.00 C ATOM 92 C ARG A 6 -15.526 1.399 1.895 1.00 0.00 C ATOM 93 O ARG A 6 -14.640 1.863 2.591 1.00 0.00 O ATOM 94 CB ARG A 6 -16.523 0.197 3.914 1.00 0.00 C ATOM 95 CG ARG A 6 -17.855 0.070 4.661 1.00 0.00 C ATOM 96 CD ARG A 6 -17.600 -0.288 6.129 1.00 0.00 C ATOM 97 NE ARG A 6 -18.955 -0.526 6.711 1.00 0.00 N ATOM 98 CZ ARG A 6 -19.274 -1.706 7.178 1.00 0.00 C ATOM 99 NH1 ARG A 6 -19.459 -2.706 6.352 1.00 0.00 N ATOM 100 NH2 ARG A 6 -19.405 -1.882 8.468 1.00 0.00 N ATOM 0 H ARG A 6 -18.154 -0.417 1.361 1.00 0.00 H new ATOM 0 HA ARG A 6 -17.546 1.525 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.035 -0.776 3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.849 0.857 4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.408 1.007 4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -18.472 -0.697 4.193 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.972 -1.175 6.215 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -17.084 0.520 6.648 1.00 0.00 H new ATOM 0 HE ARG A 6 -19.634 0.234 6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -19.354 -2.564 5.347 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -19.708 -3.627 6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.259 -1.100 9.107 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -19.654 -2.801 8.835 1.00 0.00 H new ATOM 114 N LEU A 7 -15.467 1.407 0.573 1.00 0.00 N ATOM 115 CA LEU A 7 -14.311 1.981 -0.188 1.00 0.00 C ATOM 116 C LEU A 7 -12.985 1.347 0.281 1.00 0.00 C ATOM 117 O LEU A 7 -11.949 1.985 0.283 1.00 0.00 O ATOM 118 CB LEU A 7 -14.374 3.489 0.068 1.00 0.00 C ATOM 119 CG LEU A 7 -13.610 4.237 -1.029 1.00 0.00 C ATOM 120 CD1 LEU A 7 -14.544 4.523 -2.208 1.00 0.00 C ATOM 121 CD2 LEU A 7 -13.081 5.559 -0.467 1.00 0.00 C ATOM 0 H LEU A 7 -16.202 1.024 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.362 1.773 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -15.412 3.820 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.945 3.719 1.043 1.00 0.00 H new ATOM 0 HG LEU A 7 -12.777 3.623 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.996 5.055 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.922 3.583 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.380 5.135 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.537 6.094 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -13.917 6.169 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.412 5.357 0.370 1.00 0.00 H new ATOM 133 N ILE A 8 -13.018 0.092 0.679 1.00 0.00 N ATOM 134 CA ILE A 8 -11.775 -0.603 1.156 1.00 0.00 C ATOM 135 C ILE A 8 -10.955 -1.145 -0.025 1.00 0.00 C ATOM 136 O ILE A 8 -9.759 -0.936 -0.084 1.00 0.00 O ATOM 137 CB ILE A 8 -12.269 -1.738 2.073 1.00 0.00 C ATOM 138 CG1 ILE A 8 -12.701 -1.134 3.414 1.00 0.00 C ATOM 139 CG2 ILE A 8 -11.159 -2.770 2.315 1.00 0.00 C ATOM 140 CD1 ILE A 8 -13.341 -2.208 4.300 1.00 0.00 C ATOM 0 H ILE A 8 -13.860 -0.484 0.693 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.109 0.076 1.688 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.107 -2.242 1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.838 -0.702 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.410 -0.323 3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.533 -3.561 2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.848 -3.200 1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.307 -2.283 2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.643 -1.765 5.249 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.216 -2.620 3.798 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.620 -3.004 4.485 1.00 0.00 H new ATOM 152 N TRP A 9 -11.584 -1.838 -0.948 1.00 0.00 N ATOM 153 CA TRP A 9 -10.845 -2.406 -2.129 1.00 0.00 C ATOM 154 C TRP A 9 -10.010 -1.332 -2.847 1.00 0.00 C ATOM 155 O TRP A 9 -8.849 -1.551 -3.135 1.00 0.00 O ATOM 156 CB TRP A 9 -11.913 -2.986 -3.065 1.00 0.00 C ATOM 157 CG TRP A 9 -11.953 -4.473 -2.905 1.00 0.00 C ATOM 158 CD1 TRP A 9 -13.073 -5.200 -2.695 1.00 0.00 C ATOM 159 CD2 TRP A 9 -10.846 -5.423 -2.936 1.00 0.00 C ATOM 160 NE1 TRP A 9 -12.726 -6.536 -2.593 1.00 0.00 N ATOM 161 CE2 TRP A 9 -11.365 -6.724 -2.736 1.00 0.00 C ATOM 162 CE3 TRP A 9 -9.459 -5.282 -3.116 1.00 0.00 C ATOM 163 CZ2 TRP A 9 -10.533 -7.846 -2.715 1.00 0.00 C ATOM 164 CZ3 TRP A 9 -8.621 -6.406 -3.096 1.00 0.00 C ATOM 165 CH2 TRP A 9 -9.156 -7.685 -2.895 1.00 0.00 C ATOM 0 H TRP A 9 -12.584 -2.037 -0.935 1.00 0.00 H new ATOM 0 HA TRP A 9 -10.138 -3.171 -1.809 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -12.888 -2.557 -2.834 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -11.687 -2.726 -4.099 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -14.075 -4.803 -2.619 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -13.394 -7.290 -2.432 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -9.036 -4.301 -3.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -10.950 -8.830 -2.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -7.557 -6.285 -3.236 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -8.505 -8.546 -2.879 1.00 0.00 H new ATOM 176 N TRP A 10 -10.582 -0.184 -3.127 1.00 0.00 N ATOM 177 CA TRP A 10 -9.809 0.899 -3.816 1.00 0.00 C ATOM 178 C TRP A 10 -8.643 1.354 -2.919 1.00 0.00 C ATOM 179 O TRP A 10 -7.538 1.554 -3.392 1.00 0.00 O ATOM 180 CB TRP A 10 -10.807 2.040 -4.055 1.00 0.00 C ATOM 181 CG TRP A 10 -10.438 2.767 -5.309 1.00 0.00 C ATOM 182 CD1 TRP A 10 -11.060 2.626 -6.502 1.00 0.00 C ATOM 183 CD2 TRP A 10 -9.375 3.743 -5.513 1.00 0.00 C ATOM 184 NE1 TRP A 10 -10.447 3.453 -7.427 1.00 0.00 N ATOM 185 CE2 TRP A 10 -9.403 4.162 -6.866 1.00 0.00 C ATOM 186 CE3 TRP A 10 -8.400 4.299 -4.666 1.00 0.00 C ATOM 187 CZ2 TRP A 10 -8.493 5.101 -7.357 1.00 0.00 C ATOM 188 CZ3 TRP A 10 -7.486 5.243 -5.157 1.00 0.00 C ATOM 189 CH2 TRP A 10 -7.532 5.643 -6.500 1.00 0.00 C ATOM 0 H TRP A 10 -11.550 0.049 -2.908 1.00 0.00 H new ATOM 0 HA TRP A 10 -9.375 0.563 -4.758 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -11.819 1.642 -4.136 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -10.801 2.726 -3.208 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -11.898 1.974 -6.700 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.731 3.530 -8.404 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.355 3.997 -3.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.532 5.406 -8.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -6.742 5.664 -4.497 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -6.825 6.370 -6.872 1.00 0.00 H new ATOM 200 N LEU A 11 -8.885 1.505 -1.632 1.00 0.00 N ATOM 201 CA LEU A 11 -7.798 1.936 -0.694 1.00 0.00 C ATOM 202 C LEU A 11 -6.764 0.809 -0.540 1.00 0.00 C ATOM 203 O LEU A 11 -5.575 1.059 -0.564 1.00 0.00 O ATOM 204 CB LEU A 11 -8.480 2.221 0.652 1.00 0.00 C ATOM 205 CG LEU A 11 -9.085 3.631 0.664 1.00 0.00 C ATOM 206 CD1 LEU A 11 -9.812 3.860 1.992 1.00 0.00 C ATOM 207 CD2 LEU A 11 -7.976 4.680 0.512 1.00 0.00 C ATOM 0 H LEU A 11 -9.792 1.347 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.274 2.817 -1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.261 1.483 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.756 2.124 1.461 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.786 3.724 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.243 4.861 2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.606 3.122 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.105 3.760 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.415 5.678 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.271 4.586 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.453 4.523 -0.431 1.00 0.00 H new ATOM 219 N GLN A 12 -7.218 -0.419 -0.388 1.00 0.00 N ATOM 220 CA GLN A 12 -6.293 -1.594 -0.234 1.00 0.00 C ATOM 221 C GLN A 12 -5.313 -1.675 -1.413 1.00 0.00 C ATOM 222 O GLN A 12 -4.150 -1.970 -1.220 1.00 0.00 O ATOM 223 CB GLN A 12 -7.190 -2.837 -0.202 1.00 0.00 C ATOM 224 CG GLN A 12 -6.444 -4.004 0.457 1.00 0.00 C ATOM 225 CD GLN A 12 -7.023 -4.260 1.852 1.00 0.00 C ATOM 226 OE1 GLN A 12 -6.630 -3.623 2.808 1.00 0.00 O ATOM 227 NE2 GLN A 12 -7.948 -5.168 2.011 1.00 0.00 N ATOM 0 H GLN A 12 -8.209 -0.659 -0.364 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.694 -1.507 0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.105 -2.621 0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.485 -3.109 -1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.536 -4.900 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.381 -3.775 0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.280 -5.704 1.209 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.339 -5.341 2.937 1.00 0.00 H new ATOM 236 N TYR A 13 -5.775 -1.409 -2.619 1.00 0.00 N ATOM 237 CA TYR A 13 -4.872 -1.457 -3.818 1.00 0.00 C ATOM 238 C TYR A 13 -3.684 -0.505 -3.603 1.00 0.00 C ATOM 239 O TYR A 13 -2.553 -0.835 -3.914 1.00 0.00 O ATOM 240 CB TYR A 13 -5.730 -1.002 -5.011 1.00 0.00 C ATOM 241 CG TYR A 13 -5.876 -2.131 -6.004 1.00 0.00 C ATOM 242 CD1 TYR A 13 -6.510 -3.324 -5.628 1.00 0.00 C ATOM 243 CD2 TYR A 13 -5.380 -1.985 -7.306 1.00 0.00 C ATOM 244 CE1 TYR A 13 -6.646 -4.366 -6.552 1.00 0.00 C ATOM 245 CE2 TYR A 13 -5.516 -3.027 -8.230 1.00 0.00 C ATOM 246 CZ TYR A 13 -6.149 -4.218 -7.852 1.00 0.00 C ATOM 247 OH TYR A 13 -6.285 -5.245 -8.763 1.00 0.00 O ATOM 0 H TYR A 13 -6.743 -1.160 -2.823 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.465 -2.454 -3.989 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.713 -0.684 -4.662 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.269 -0.140 -5.493 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.893 -3.439 -4.625 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.892 -1.067 -7.597 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.135 -5.285 -6.262 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.133 -2.913 -9.233 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.887 -4.979 -9.618 1.00 0.00 H new ATOM 257 N PHE A 14 -3.947 0.660 -3.058 1.00 0.00 N ATOM 258 CA PHE A 14 -2.861 1.654 -2.791 1.00 0.00 C ATOM 259 C PHE A 14 -2.048 1.216 -1.559 1.00 0.00 C ATOM 260 O PHE A 14 -0.843 1.369 -1.529 1.00 0.00 O ATOM 261 CB PHE A 14 -3.587 2.980 -2.525 1.00 0.00 C ATOM 262 CG PHE A 14 -2.628 4.138 -2.685 1.00 0.00 C ATOM 263 CD1 PHE A 14 -2.470 4.751 -3.935 1.00 0.00 C ATOM 264 CD2 PHE A 14 -1.897 4.599 -1.583 1.00 0.00 C ATOM 265 CE1 PHE A 14 -1.582 5.823 -4.081 1.00 0.00 C ATOM 266 CE2 PHE A 14 -1.010 5.671 -1.729 1.00 0.00 C ATOM 267 CZ PHE A 14 -0.853 6.284 -2.978 1.00 0.00 C ATOM 0 H PHE A 14 -4.880 0.967 -2.784 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.160 1.743 -3.621 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.422 3.091 -3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.004 2.980 -1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.033 4.396 -4.786 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.018 4.126 -0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.459 6.295 -5.045 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.447 6.026 -0.879 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.169 7.113 -3.091 1.00 0.00 H new ATOM 277 N ILE A 15 -2.707 0.677 -0.553 1.00 0.00 N ATOM 278 CA ILE A 15 -1.999 0.219 0.690 1.00 0.00 C ATOM 279 C ILE A 15 -0.965 -0.871 0.358 1.00 0.00 C ATOM 280 O ILE A 15 0.153 -0.812 0.837 1.00 0.00 O ATOM 281 CB ILE A 15 -3.106 -0.302 1.628 1.00 0.00 C ATOM 282 CG1 ILE A 15 -3.916 0.881 2.186 1.00 0.00 C ATOM 283 CG2 ILE A 15 -2.508 -1.100 2.795 1.00 0.00 C ATOM 284 CD1 ILE A 15 -3.015 1.838 2.978 1.00 0.00 C ATOM 0 H ILE A 15 -3.717 0.534 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.437 1.025 1.162 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.757 -0.960 1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.393 1.419 1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.713 0.509 2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.310 -1.456 3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.951 -1.952 2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.838 -0.459 3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.612 2.666 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.559 1.303 3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.234 2.226 2.325 1.00 0.00 H new ATOM 296 N THR A 16 -1.316 -1.850 -0.450 1.00 0.00 N ATOM 297 CA THR A 16 -0.332 -2.931 -0.804 1.00 0.00 C ATOM 298 C THR A 16 0.884 -2.312 -1.519 1.00 0.00 C ATOM 299 O THR A 16 2.020 -2.629 -1.207 1.00 0.00 O ATOM 300 CB THR A 16 -1.082 -3.908 -1.726 1.00 0.00 C ATOM 301 OG1 THR A 16 -2.249 -4.384 -1.067 1.00 0.00 O ATOM 302 CG2 THR A 16 -0.183 -5.098 -2.071 1.00 0.00 C ATOM 0 H THR A 16 -2.237 -1.947 -0.878 1.00 0.00 H new ATOM 0 HA THR A 16 0.044 -3.449 0.079 1.00 0.00 H new ATOM 0 HB THR A 16 -1.360 -3.386 -2.642 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.977 -3.738 -1.183 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.722 -5.784 -2.724 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.713 -4.742 -2.580 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.102 -5.617 -1.155 1.00 0.00 H new ATOM 310 N ARG A 17 0.647 -1.423 -2.462 1.00 0.00 N ATOM 311 CA ARG A 17 1.777 -0.764 -3.193 1.00 0.00 C ATOM 312 C ARG A 17 2.583 0.095 -2.207 1.00 0.00 C ATOM 313 O ARG A 17 3.798 0.097 -2.238 1.00 0.00 O ATOM 314 CB ARG A 17 1.132 0.110 -4.279 1.00 0.00 C ATOM 315 CG ARG A 17 1.983 0.065 -5.553 1.00 0.00 C ATOM 316 CD ARG A 17 3.079 1.136 -5.497 1.00 0.00 C ATOM 317 NE ARG A 17 2.422 2.403 -5.935 1.00 0.00 N ATOM 318 CZ ARG A 17 2.907 3.078 -6.942 1.00 0.00 C ATOM 319 NH1 ARG A 17 2.533 2.786 -8.164 1.00 0.00 N ATOM 320 NH2 ARG A 17 3.765 4.040 -6.724 1.00 0.00 N ATOM 0 H ARG A 17 -0.284 -1.127 -2.755 1.00 0.00 H new ATOM 0 HA ARG A 17 2.460 -1.488 -3.638 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.123 -0.243 -4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.042 1.137 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.434 -0.921 -5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.351 0.226 -6.427 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.483 1.232 -4.489 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.912 0.879 -6.151 1.00 0.00 H new ATOM 0 HE ARG A 17 1.593 2.742 -5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.865 2.033 -8.327 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.910 3.312 -8.952 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.053 4.260 -5.771 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.147 4.570 -7.507 1.00 0.00 H new ATOM 334 N ALA A 18 1.903 0.809 -1.332 1.00 0.00 N ATOM 335 CA ALA A 18 2.602 1.667 -0.320 1.00 0.00 C ATOM 336 C ALA A 18 3.479 0.794 0.592 1.00 0.00 C ATOM 337 O ALA A 18 4.586 1.171 0.931 1.00 0.00 O ATOM 338 CB ALA A 18 1.487 2.345 0.484 1.00 0.00 C ATOM 0 H ALA A 18 0.885 0.832 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 18 3.258 2.402 -0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.927 2.990 1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.868 2.943 -0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.871 1.585 0.965 1.00 0.00 H new ATOM 344 N GLU A 19 2.993 -0.368 0.980 1.00 0.00 N ATOM 345 CA GLU A 19 3.789 -1.284 1.863 1.00 0.00 C ATOM 346 C GLU A 19 5.080 -1.707 1.140 1.00 0.00 C ATOM 347 O GLU A 19 6.144 -1.732 1.733 1.00 0.00 O ATOM 348 CB GLU A 19 2.878 -2.494 2.118 1.00 0.00 C ATOM 349 CG GLU A 19 3.479 -3.403 3.200 1.00 0.00 C ATOM 350 CD GLU A 19 3.698 -4.807 2.630 1.00 0.00 C ATOM 351 OE1 GLU A 19 4.767 -5.046 2.091 1.00 0.00 O ATOM 352 OE2 GLU A 19 2.794 -5.619 2.740 1.00 0.00 O ATOM 0 H GLU A 19 2.072 -0.721 0.719 1.00 0.00 H new ATOM 0 HA GLU A 19 4.087 -0.810 2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.890 -2.154 2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.745 -3.057 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.425 -2.991 3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.813 -3.449 4.061 1.00 0.00 H new ATOM 359 N ALA A 20 4.984 -2.028 -0.135 1.00 0.00 N ATOM 360 CA ALA A 20 6.186 -2.447 -0.930 1.00 0.00 C ATOM 361 C ALA A 20 7.229 -1.319 -0.989 1.00 0.00 C ATOM 362 O ALA A 20 8.416 -1.577 -0.962 1.00 0.00 O ATOM 363 CB ALA A 20 5.659 -2.753 -2.335 1.00 0.00 C ATOM 0 H ALA A 20 4.111 -2.016 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 20 6.680 -3.308 -0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.485 -3.067 -2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.919 -3.552 -2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.197 -1.859 -2.753 1.00 0.00 H new ATOM 369 N HIS A 21 6.796 -0.081 -1.066 1.00 0.00 N ATOM 370 CA HIS A 21 7.766 1.058 -1.124 1.00 0.00 C ATOM 371 C HIS A 21 8.295 1.409 0.276 1.00 0.00 C ATOM 372 O HIS A 21 9.376 1.956 0.396 1.00 0.00 O ATOM 373 CB HIS A 21 6.999 2.240 -1.723 1.00 0.00 C ATOM 374 CG HIS A 21 7.783 2.791 -2.878 1.00 0.00 C ATOM 375 ND1 HIS A 21 8.851 3.658 -2.704 1.00 0.00 N ATOM 376 CD2 HIS A 21 7.668 2.602 -4.232 1.00 0.00 C ATOM 377 CE1 HIS A 21 9.334 3.955 -3.924 1.00 0.00 C ATOM 378 NE2 HIS A 21 8.649 3.339 -4.892 1.00 0.00 N ATOM 0 H HIS A 21 5.812 0.188 -1.091 1.00 0.00 H new ATOM 0 HA HIS A 21 8.636 0.799 -1.728 1.00 0.00 H new ATOM 0 HB2 HIS A 21 6.012 1.919 -2.056 1.00 0.00 H new ATOM 0 HB3 HIS A 21 6.846 3.012 -0.969 1.00 0.00 H new ATOM 0 HD2 HIS A 21 6.930 1.977 -4.713 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.173 4.612 -4.100 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.810 3.396 -5.898 1.00 0.00 H new ATOM 386 N LEU A 22 7.555 1.103 1.322 1.00 0.00 N ATOM 387 CA LEU A 22 8.019 1.418 2.715 1.00 0.00 C ATOM 388 C LEU A 22 9.402 0.800 2.974 1.00 0.00 C ATOM 389 O LEU A 22 10.270 1.446 3.530 1.00 0.00 O ATOM 390 CB LEU A 22 6.968 0.816 3.658 1.00 0.00 C ATOM 391 CG LEU A 22 6.660 1.806 4.789 1.00 0.00 C ATOM 392 CD1 LEU A 22 5.464 2.681 4.403 1.00 0.00 C ATOM 393 CD2 LEU A 22 6.327 1.031 6.066 1.00 0.00 C ATOM 0 H LEU A 22 6.645 0.646 1.268 1.00 0.00 H new ATOM 0 HA LEU A 22 8.119 2.492 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.057 0.587 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.333 -0.123 4.073 1.00 0.00 H new ATOM 0 HG LEU A 22 7.531 2.439 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.250 3.382 5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.697 3.235 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.592 2.050 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.108 1.733 6.871 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.458 0.397 5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.178 0.410 6.347 1.00 0.00 H new ATOM 405 N GLN A 23 9.617 -0.434 2.569 1.00 0.00 N ATOM 406 CA GLN A 23 10.954 -1.084 2.787 1.00 0.00 C ATOM 407 C GLN A 23 12.035 -0.495 1.857 1.00 0.00 C ATOM 408 O GLN A 23 13.211 -0.745 2.048 1.00 0.00 O ATOM 409 CB GLN A 23 10.742 -2.584 2.525 1.00 0.00 C ATOM 410 CG GLN A 23 10.661 -2.862 1.018 1.00 0.00 C ATOM 411 CD GLN A 23 10.339 -4.339 0.781 1.00 0.00 C ATOM 412 OE1 GLN A 23 9.204 -4.688 0.531 1.00 0.00 O ATOM 413 NE2 GLN A 23 11.295 -5.228 0.849 1.00 0.00 N ATOM 0 H GLN A 23 8.926 -1.018 2.098 1.00 0.00 H new ATOM 0 HA GLN A 23 11.315 -0.906 3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.561 -3.155 2.962 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.826 -2.918 3.012 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.893 -2.235 0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.606 -2.605 0.540 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.249 -4.936 1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.087 -6.214 0.692 1.00 0.00 H new ATOM 422 N VAL A 24 11.649 0.276 0.866 1.00 0.00 N ATOM 423 CA VAL A 24 12.645 0.887 -0.077 1.00 0.00 C ATOM 424 C VAL A 24 12.785 2.404 0.182 1.00 0.00 C ATOM 425 O VAL A 24 13.372 3.119 -0.610 1.00 0.00 O ATOM 426 CB VAL A 24 12.102 0.617 -1.496 1.00 0.00 C ATOM 427 CG1 VAL A 24 13.167 0.962 -2.543 1.00 0.00 C ATOM 428 CG2 VAL A 24 11.728 -0.863 -1.655 1.00 0.00 C ATOM 0 H VAL A 24 10.676 0.511 0.668 1.00 0.00 H new ATOM 0 HA VAL A 24 13.638 0.458 0.056 1.00 0.00 H new ATOM 0 HB VAL A 24 11.218 1.238 -1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.773 0.768 -3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.434 2.015 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.053 0.349 -2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.347 -1.036 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.611 -1.481 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.961 -1.125 -0.927 1.00 0.00 H new ATOM 438 N TRP A 25 12.257 2.902 1.281 1.00 0.00 N ATOM 439 CA TRP A 25 12.360 4.362 1.586 1.00 0.00 C ATOM 440 C TRP A 25 12.306 4.588 3.107 1.00 0.00 C ATOM 441 O TRP A 25 11.364 5.155 3.634 1.00 0.00 O ATOM 442 CB TRP A 25 11.164 5.001 0.868 1.00 0.00 C ATOM 443 CG TRP A 25 11.380 6.476 0.753 1.00 0.00 C ATOM 444 CD1 TRP A 25 12.306 7.067 -0.036 1.00 0.00 C ATOM 445 CD2 TRP A 25 10.675 7.553 1.436 1.00 0.00 C ATOM 446 NE1 TRP A 25 12.215 8.437 0.119 1.00 0.00 N ATOM 447 CE2 TRP A 25 11.225 8.787 1.015 1.00 0.00 C ATOM 448 CE3 TRP A 25 9.624 7.578 2.369 1.00 0.00 C ATOM 449 CZ2 TRP A 25 10.747 10.004 1.505 1.00 0.00 C ATOM 450 CZ3 TRP A 25 9.141 8.799 2.863 1.00 0.00 C ATOM 451 CH2 TRP A 25 9.701 10.009 2.433 1.00 0.00 C ATOM 0 H TRP A 25 11.757 2.353 1.980 1.00 0.00 H new ATOM 0 HA TRP A 25 13.299 4.801 1.249 1.00 0.00 H new ATOM 0 HB2 TRP A 25 11.044 4.562 -0.123 1.00 0.00 H new ATOM 0 HB3 TRP A 25 10.245 4.799 1.419 1.00 0.00 H new ATOM 0 HD1 TRP A 25 13.002 6.552 -0.681 1.00 0.00 H new ATOM 0 HE1 TRP A 25 12.808 9.108 -0.369 1.00 0.00 H new ATOM 0 HE3 TRP A 25 9.185 6.651 2.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 11.182 10.934 1.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.333 8.806 3.579 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.325 10.945 2.818 1.00 0.00 H new ATOM 462 N ILE A 26 13.321 4.142 3.810 1.00 0.00 N ATOM 463 CA ILE A 26 13.361 4.313 5.299 1.00 0.00 C ATOM 464 C ILE A 26 14.753 4.801 5.728 1.00 0.00 C ATOM 465 O ILE A 26 15.742 4.160 5.418 1.00 0.00 O ATOM 466 CB ILE A 26 13.061 2.948 5.969 1.00 0.00 C ATOM 467 CG1 ILE A 26 12.917 1.791 4.961 1.00 0.00 C ATOM 468 CG2 ILE A 26 11.756 3.055 6.761 1.00 0.00 C ATOM 469 CD1 ILE A 26 14.295 1.230 4.596 1.00 0.00 C ATOM 0 H ILE A 26 14.129 3.663 3.413 1.00 0.00 H new ATOM 0 HA ILE A 26 12.616 5.048 5.605 1.00 0.00 H new ATOM 0 HB ILE A 26 13.912 2.722 6.612 1.00 0.00 H new ATOM 0 HG12 ILE A 26 12.297 1.003 5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.410 2.143 4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.539 2.098 7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.857 3.825 7.526 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.942 3.319 6.086 1.00 0.00 H new ATOM 0 HD11 ILE A 26 14.178 0.413 3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 26 14.902 2.018 4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 26 14.787 0.859 5.495 1.00 0.00 H new ATOM 481 N PRO A 27 14.795 5.915 6.432 1.00 0.00 N ATOM 482 CA PRO A 27 16.096 6.468 6.903 1.00 0.00 C ATOM 483 C PRO A 27 16.834 5.554 7.914 1.00 0.00 C ATOM 484 O PRO A 27 18.038 5.434 7.798 1.00 0.00 O ATOM 485 CB PRO A 27 15.727 7.844 7.459 1.00 0.00 C ATOM 486 CG PRO A 27 14.281 7.753 7.814 1.00 0.00 C ATOM 487 CD PRO A 27 13.665 6.766 6.857 1.00 0.00 C ATOM 0 HA PRO A 27 16.829 6.538 6.099 1.00 0.00 H new ATOM 0 HB2 PRO A 27 16.331 8.090 8.332 1.00 0.00 H new ATOM 0 HB3 PRO A 27 15.902 8.626 6.720 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.155 7.423 8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 27 13.799 8.727 7.730 1.00 0.00 H new ATOM 0 HD2 PRO A 27 12.884 6.178 7.340 1.00 0.00 H new ATOM 0 HD3 PRO A 27 13.205 7.270 6.007 1.00 0.00 H new ATOM 495 N PRO A 28 16.147 4.927 8.861 1.00 0.00 N ATOM 496 CA PRO A 28 16.854 4.035 9.830 1.00 0.00 C ATOM 497 C PRO A 28 17.302 2.743 9.126 1.00 0.00 C ATOM 498 O PRO A 28 16.551 2.150 8.371 1.00 0.00 O ATOM 499 CB PRO A 28 15.798 3.732 10.892 1.00 0.00 C ATOM 500 CG PRO A 28 14.494 3.909 10.192 1.00 0.00 C ATOM 501 CD PRO A 28 14.704 4.962 9.143 1.00 0.00 C ATOM 0 HA PRO A 28 17.751 4.489 10.252 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.905 2.719 11.279 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.886 4.409 11.742 1.00 0.00 H new ATOM 0 HG2 PRO A 28 14.168 2.972 9.740 1.00 0.00 H new ATOM 0 HG3 PRO A 28 13.717 4.212 10.894 1.00 0.00 H new ATOM 0 HD2 PRO A 28 14.120 4.750 8.247 1.00 0.00 H new ATOM 0 HD3 PRO A 28 14.394 5.944 9.500 1.00 0.00 H new ATOM 509 N LEU A 29 18.518 2.308 9.367 1.00 0.00 N ATOM 510 CA LEU A 29 19.024 1.057 8.715 1.00 0.00 C ATOM 511 C LEU A 29 19.966 0.291 9.663 1.00 0.00 C ATOM 512 O LEU A 29 21.150 0.154 9.410 1.00 0.00 O ATOM 513 CB LEU A 29 19.753 1.536 7.452 1.00 0.00 C ATOM 514 CG LEU A 29 19.644 0.467 6.359 1.00 0.00 C ATOM 515 CD1 LEU A 29 18.537 0.845 5.373 1.00 0.00 C ATOM 516 CD2 LEU A 29 20.976 0.362 5.610 1.00 0.00 C ATOM 0 H LEU A 29 19.183 2.767 9.989 1.00 0.00 H new ATOM 0 HA LEU A 29 18.221 0.361 8.471 1.00 0.00 H new ATOM 0 HB2 LEU A 29 19.319 2.473 7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 29 20.801 1.734 7.678 1.00 0.00 H new ATOM 0 HG LEU A 29 19.406 -0.492 6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 29 18.464 0.082 4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 29 17.587 0.917 5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 29 18.770 1.806 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 29 20.898 -0.398 4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.214 1.323 5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 29 21.766 0.086 6.309 1.00 0.00 H new ATOM 528 N ASN A 30 19.436 -0.210 10.757 1.00 0.00 N ATOM 529 CA ASN A 30 20.275 -0.977 11.738 1.00 0.00 C ATOM 530 C ASN A 30 20.579 -2.382 11.192 1.00 0.00 C ATOM 531 O ASN A 30 21.724 -2.791 11.170 1.00 0.00 O ATOM 532 CB ASN A 30 19.447 -1.044 13.035 1.00 0.00 C ATOM 533 CG ASN A 30 20.011 -2.105 13.994 1.00 0.00 C ATOM 534 OD1 ASN A 30 19.274 -2.931 14.496 1.00 0.00 O ATOM 535 ND2 ASN A 30 21.287 -2.126 14.277 1.00 0.00 N ATOM 0 H ASN A 30 18.453 -0.120 11.014 1.00 0.00 H new ATOM 0 HA ASN A 30 21.238 -0.499 11.916 1.00 0.00 H new ATOM 0 HB2 ASN A 30 19.449 -0.069 13.523 1.00 0.00 H new ATOM 0 HB3 ASN A 30 18.410 -1.279 12.797 1.00 0.00 H new ATOM 0 HD21 ASN A 30 21.657 -2.832 14.914 1.00 0.00 H new ATOM 0 HD22 ASN A 30 21.913 -1.437 13.861 1.00 0.00 H new ATOM 542 N VAL A 31 19.561 -3.103 10.759 1.00 0.00 N ATOM 543 CA VAL A 31 19.733 -4.491 10.204 1.00 0.00 C ATOM 544 C VAL A 31 20.298 -5.459 11.267 1.00 0.00 C ATOM 545 O VAL A 31 20.622 -5.064 12.375 1.00 0.00 O ATOM 546 CB VAL A 31 20.640 -4.327 8.956 1.00 0.00 C ATOM 547 CG1 VAL A 31 22.031 -4.952 9.144 1.00 0.00 C ATOM 548 CG2 VAL A 31 19.959 -4.985 7.753 1.00 0.00 C ATOM 0 H VAL A 31 18.595 -2.776 10.769 1.00 0.00 H new ATOM 0 HA VAL A 31 18.785 -4.946 9.918 1.00 0.00 H new ATOM 0 HB VAL A 31 20.781 -3.258 8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 31 22.621 -4.806 8.239 1.00 0.00 H new ATOM 0 HG12 VAL A 31 22.534 -4.475 9.985 1.00 0.00 H new ATOM 0 HG13 VAL A 31 21.927 -6.019 9.341 1.00 0.00 H new ATOM 0 HG21 VAL A 31 20.591 -4.874 6.872 1.00 0.00 H new ATOM 0 HG22 VAL A 31 19.804 -6.044 7.957 1.00 0.00 H new ATOM 0 HG23 VAL A 31 18.997 -4.506 7.573 1.00 0.00 H new ATOM 558 N ARG A 32 20.413 -6.725 10.936 1.00 0.00 N ATOM 559 CA ARG A 32 20.952 -7.725 11.914 1.00 0.00 C ATOM 560 C ARG A 32 22.482 -7.624 11.984 1.00 0.00 C ATOM 561 O ARG A 32 23.137 -7.376 10.987 1.00 0.00 O ATOM 562 CB ARG A 32 20.520 -9.101 11.387 1.00 0.00 C ATOM 563 CG ARG A 32 20.249 -10.048 12.563 1.00 0.00 C ATOM 564 CD ARG A 32 18.898 -10.748 12.368 1.00 0.00 C ATOM 565 NE ARG A 32 19.149 -12.187 12.674 1.00 0.00 N ATOM 566 CZ ARG A 32 19.163 -13.072 11.711 1.00 0.00 C ATOM 567 NH1 ARG A 32 20.203 -13.151 10.919 1.00 0.00 N ATOM 568 NH2 ARG A 32 18.140 -13.871 11.545 1.00 0.00 N ATOM 0 H ARG A 32 20.156 -7.110 10.027 1.00 0.00 H new ATOM 0 HA ARG A 32 20.574 -7.552 12.922 1.00 0.00 H new ATOM 0 HB2 ARG A 32 19.623 -9.001 10.775 1.00 0.00 H new ATOM 0 HB3 ARG A 32 21.298 -9.516 10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.045 -10.789 12.636 1.00 0.00 H new ATOM 0 HG3 ARG A 32 20.247 -9.489 13.499 1.00 0.00 H new ATOM 0 HD2 ARG A 32 18.140 -10.332 13.032 1.00 0.00 H new ATOM 0 HD3 ARG A 32 18.533 -10.621 11.349 1.00 0.00 H new ATOM 0 HE ARG A 32 19.310 -12.481 13.637 1.00 0.00 H new ATOM 0 HH11 ARG A 32 20.996 -12.524 11.055 1.00 0.00 H new ATOM 0 HH12 ARG A 32 20.220 -13.839 10.166 1.00 0.00 H new ATOM 0 HH21 ARG A 32 17.334 -13.803 12.166 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.149 -14.562 10.795 1.00 0.00 H new ATOM 582 N GLY A 33 23.046 -7.815 13.152 1.00 0.00 N ATOM 583 CA GLY A 33 24.529 -7.736 13.310 1.00 0.00 C ATOM 584 C GLY A 33 25.126 -9.142 13.230 1.00 0.00 C ATOM 585 O GLY A 33 25.441 -9.567 12.131 1.00 0.00 O ATOM 586 OXT GLY A 33 25.255 -9.770 14.267 1.00 0.00 O ATOM 0 H GLY A 33 22.536 -8.024 14.010 1.00 0.00 H new ATOM 0 HA2 GLY A 33 24.955 -7.104 12.531 1.00 0.00 H new ATOM 0 HA3 GLY A 33 24.780 -7.277 14.266 1.00 0.00 H new TER 590 GLY A 33