USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 250 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 ALA N :NH3+ -111:sc= 0.0284 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -149:sc= 0.59 (180deg=0.177) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.7) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.502 -0.113 0.222 1.00 12.11 N ATOM 2 CA ALA A 1 1.944 -0.108 -1.167 1.00 52.14 C ATOM 3 C ALA A 1 2.194 -1.526 -1.669 1.00 25.12 C ATOM 4 O ALA A 1 2.616 -2.397 -0.909 1.00 21.21 O ATOM 5 CB ALA A 1 3.201 0.736 -1.317 1.00 2.33 C ATOM 0 H1 ALA A 1 0.506 0.181 0.270 1.00 12.11 H new ATOM 0 H2 ALA A 1 1.600 -1.071 0.614 1.00 12.11 H new ATOM 0 H3 ALA A 1 2.085 0.548 0.774 1.00 12.11 H new ATOM 0 HA ALA A 1 1.151 0.329 -1.773 1.00 52.14 H new ATOM 0 HB1 ALA A 1 3.520 0.731 -2.359 1.00 2.33 H new ATOM 0 HB2 ALA A 1 2.991 1.760 -1.007 1.00 2.33 H new ATOM 0 HB3 ALA A 1 3.993 0.323 -0.693 1.00 2.33 H new ATOM 13 N GLU A 2 1.930 -1.750 -2.952 1.00 50.00 N ATOM 14 CA GLU A 2 2.125 -3.064 -3.554 1.00 54.11 C ATOM 15 C GLU A 2 3.612 -3.382 -3.695 1.00 62.42 C ATOM 16 O GLU A 2 4.458 -2.490 -3.632 1.00 2.33 O ATOM 17 CB GLU A 2 1.448 -3.129 -4.924 1.00 32.40 C ATOM 18 CG GLU A 2 -0.036 -3.451 -4.854 1.00 63.31 C ATOM 19 CD GLU A 2 -0.892 -2.217 -4.645 1.00 50.54 C ATOM 20 OE1 GLU A 2 -0.832 -1.632 -3.544 1.00 14.01 O1- ATOM 21 OE2 GLU A 2 -1.623 -1.836 -5.585 1.00 43.45 O ATOM 0 H GLU A 2 1.581 -1.039 -3.595 1.00 50.00 H new ATOM 0 HA GLU A 2 1.671 -3.806 -2.897 1.00 54.11 H new ATOM 0 HB2 GLU A 2 1.581 -2.173 -5.431 1.00 32.40 H new ATOM 0 HB3 GLU A 2 1.947 -3.884 -5.531 1.00 32.40 H new ATOM 0 HG2 GLU A 2 -0.340 -3.948 -5.776 1.00 63.31 H new ATOM 0 HG3 GLU A 2 -0.213 -4.154 -4.040 1.00 63.31 H new ATOM 28 N CYS A 3 3.921 -4.660 -3.885 1.00 61.14 N ATOM 29 CA CYS A 3 5.304 -5.098 -4.034 1.00 54.52 C ATOM 30 C CYS A 3 5.487 -5.891 -5.325 1.00 4.43 C ATOM 31 O CYS A 3 4.525 -6.408 -5.892 1.00 45.13 O ATOM 32 CB CYS A 3 5.722 -5.953 -2.835 1.00 25.33 C ATOM 33 SG CYS A 3 4.847 -7.546 -2.717 1.00 61.41 S ATOM 0 H CYS A 3 3.233 -5.411 -3.939 1.00 61.14 H new ATOM 0 HA CYS A 3 5.937 -4.212 -4.079 1.00 54.52 H new ATOM 0 HB2 CYS A 3 6.794 -6.143 -2.894 1.00 25.33 H new ATOM 0 HB3 CYS A 3 5.548 -5.387 -1.920 1.00 25.33 H new ATOM 38 N LYS A 4 6.730 -5.981 -5.785 1.00 51.35 N ATOM 39 CA LYS A 4 7.043 -6.711 -7.008 1.00 63.21 C ATOM 40 C LYS A 4 6.541 -8.149 -6.928 1.00 14.51 C ATOM 41 O LYS A 4 6.058 -8.590 -5.886 1.00 75.33 O ATOM 42 CB LYS A 4 8.553 -6.700 -7.262 1.00 74.44 C ATOM 43 CG LYS A 4 8.980 -5.729 -8.349 1.00 52.44 C ATOM 44 CD LYS A 4 8.542 -4.309 -8.033 1.00 1.14 C ATOM 45 CE LYS A 4 9.079 -3.319 -9.055 1.00 12.25 C ATOM 46 NZ LYS A 4 8.507 -1.958 -8.863 1.00 43.31 N1+ ATOM 0 H LYS A 4 7.538 -5.557 -5.329 1.00 51.35 H new ATOM 0 HA LYS A 4 6.538 -6.214 -7.836 1.00 63.21 H new ATOM 0 HB2 LYS A 4 9.067 -6.444 -6.335 1.00 74.44 H new ATOM 0 HB3 LYS A 4 8.874 -7.705 -7.537 1.00 74.44 H new ATOM 0 HG2 LYS A 4 10.064 -5.760 -8.460 1.00 52.44 H new ATOM 0 HG3 LYS A 4 8.553 -6.039 -9.303 1.00 52.44 H new ATOM 0 HD2 LYS A 4 7.453 -4.259 -8.014 1.00 1.14 H new ATOM 0 HD3 LYS A 4 8.892 -4.032 -7.038 1.00 1.14 H new ATOM 0 HE2 LYS A 4 10.165 -3.271 -8.978 1.00 12.25 H new ATOM 0 HE3 LYS A 4 8.846 -3.672 -10.060 1.00 12.25 H new ATOM 0 HZ1 LYS A 4 8.443 -1.475 -9.782 1.00 43.31 H new ATOM 0 HZ2 LYS A 4 7.557 -2.036 -8.446 1.00 43.31 H new ATOM 0 HZ3 LYS A 4 9.120 -1.410 -8.226 1.00 43.31 H new ATOM 60 N GLY A 5 6.659 -8.875 -8.035 1.00 61.21 N ATOM 61 CA GLY A 5 6.214 -10.256 -8.067 1.00 24.52 C ATOM 62 C GLY A 5 7.344 -11.224 -8.355 1.00 12.03 C ATOM 63 O GLY A 5 8.391 -11.175 -7.709 1.00 44.11 O ATOM 0 H GLY A 5 7.055 -8.532 -8.910 1.00 61.21 H new ATOM 0 HA2 GLY A 5 5.758 -10.510 -7.110 1.00 24.52 H new ATOM 0 HA3 GLY A 5 5.442 -10.368 -8.828 1.00 24.52 H new ATOM 67 N PHE A 6 7.134 -12.105 -9.326 1.00 74.41 N ATOM 68 CA PHE A 6 8.143 -13.091 -9.696 1.00 14.12 C ATOM 69 C PHE A 6 8.673 -12.825 -11.102 1.00 20.32 C ATOM 70 O PHE A 6 9.845 -13.069 -11.391 1.00 30.10 O ATOM 71 CB PHE A 6 7.561 -14.504 -9.616 1.00 62.42 C ATOM 72 CG PHE A 6 8.469 -15.559 -10.180 1.00 64.14 C ATOM 73 CD1 PHE A 6 9.795 -15.633 -9.787 1.00 22.52 C ATOM 74 CD2 PHE A 6 7.996 -16.477 -11.105 1.00 43.12 C ATOM 75 CE1 PHE A 6 10.633 -16.604 -10.303 1.00 21.53 C ATOM 76 CE2 PHE A 6 8.829 -17.449 -11.624 1.00 4.40 C ATOM 77 CZ PHE A 6 10.151 -17.512 -11.224 1.00 31.41 C ATOM 0 H PHE A 6 6.274 -12.157 -9.872 1.00 74.41 H new ATOM 0 HA PHE A 6 8.971 -13.008 -8.993 1.00 14.12 H new ATOM 0 HB2 PHE A 6 7.345 -14.741 -8.574 1.00 62.42 H new ATOM 0 HB3 PHE A 6 6.612 -14.528 -10.152 1.00 62.42 H new ATOM 0 HD1 PHE A 6 10.179 -14.924 -9.069 1.00 22.52 H new ATOM 0 HD2 PHE A 6 6.965 -16.432 -11.423 1.00 43.12 H new ATOM 0 HE1 PHE A 6 11.664 -16.652 -9.986 1.00 21.53 H new ATOM 0 HE2 PHE A 6 8.448 -18.160 -12.342 1.00 4.40 H new ATOM 0 HZ PHE A 6 10.805 -18.269 -11.631 1.00 31.41 H new ATOM 87 N TRP A 7 7.803 -12.325 -11.970 1.00 11.32 N ATOM 88 CA TRP A 7 8.182 -12.026 -13.347 1.00 4.43 C ATOM 89 C TRP A 7 8.334 -10.523 -13.556 1.00 5.24 C ATOM 90 O TRP A 7 8.596 -10.064 -14.668 1.00 41.31 O ATOM 91 CB TRP A 7 7.142 -12.586 -14.317 1.00 72.42 C ATOM 92 CG TRP A 7 5.762 -12.048 -14.086 1.00 54.44 C ATOM 93 CD1 TRP A 7 5.191 -10.969 -14.698 1.00 11.44 C ATOM 94 CD2 TRP A 7 4.783 -12.562 -13.176 1.00 32.22 C ATOM 95 NE1 TRP A 7 3.915 -10.781 -14.224 1.00 40.53 N ATOM 96 CE2 TRP A 7 3.641 -11.746 -13.290 1.00 53.24 C ATOM 97 CE3 TRP A 7 4.760 -13.633 -12.279 1.00 11.41 C ATOM 98 CZ2 TRP A 7 2.490 -11.968 -12.538 1.00 5.53 C ATOM 99 CZ3 TRP A 7 3.617 -13.852 -11.534 1.00 41.22 C ATOM 100 CH2 TRP A 7 2.495 -13.023 -11.668 1.00 75.31 C ATOM 0 H TRP A 7 6.830 -12.118 -11.746 1.00 11.32 H new ATOM 0 HA TRP A 7 9.144 -12.500 -13.544 1.00 4.43 H new ATOM 0 HB2 TRP A 7 7.447 -12.356 -15.338 1.00 72.42 H new ATOM 0 HB3 TRP A 7 7.120 -13.672 -14.228 1.00 72.42 H new ATOM 0 HD1 TRP A 7 5.671 -10.354 -15.445 1.00 11.44 H new ATOM 0 HE1 TRP A 7 3.276 -10.043 -14.519 1.00 40.53 H new ATOM 0 HE3 TRP A 7 5.620 -14.278 -12.170 1.00 11.41 H new ATOM 0 HZ2 TRP A 7 1.625 -11.330 -12.638 1.00 5.53 H new ATOM 0 HZ3 TRP A 7 3.588 -14.676 -10.837 1.00 41.22 H new ATOM 0 HH2 TRP A 7 1.616 -13.221 -11.072 1.00 75.31 H new ATOM 111 N LYS A 8 8.167 -9.761 -12.481 1.00 51.55 N ATOM 112 CA LYS A 8 8.287 -8.310 -12.546 1.00 1.40 C ATOM 113 C LYS A 8 9.724 -7.895 -12.840 1.00 33.31 C ATOM 114 O LYS A 8 10.622 -8.733 -12.900 1.00 34.14 O ATOM 115 CB LYS A 8 7.822 -7.680 -11.230 1.00 74.13 C ATOM 116 CG LYS A 8 6.312 -7.572 -11.106 1.00 62.42 C ATOM 117 CD LYS A 8 5.729 -6.661 -12.173 1.00 54.31 C ATOM 118 CE LYS A 8 4.310 -6.235 -11.827 1.00 64.31 C ATOM 119 NZ LYS A 8 4.292 -5.113 -10.848 1.00 3.33 N1+ ATOM 0 H LYS A 8 7.948 -10.125 -11.554 1.00 51.55 H new ATOM 0 HA LYS A 8 7.652 -7.954 -13.357 1.00 1.40 H new ATOM 0 HB2 LYS A 8 8.205 -8.272 -10.399 1.00 74.13 H new ATOM 0 HB3 LYS A 8 8.257 -6.685 -11.140 1.00 74.13 H new ATOM 0 HG2 LYS A 8 5.867 -8.564 -11.190 1.00 62.42 H new ATOM 0 HG3 LYS A 8 6.053 -7.189 -10.119 1.00 62.42 H new ATOM 0 HD2 LYS A 8 6.359 -5.778 -12.283 1.00 54.31 H new ATOM 0 HD3 LYS A 8 5.732 -7.176 -13.134 1.00 54.31 H new ATOM 0 HE2 LYS A 8 3.790 -5.933 -12.736 1.00 64.31 H new ATOM 0 HE3 LYS A 8 3.766 -7.085 -11.416 1.00 64.31 H new ATOM 0 HZ1 LYS A 8 3.308 -4.852 -10.638 1.00 3.33 H new ATOM 0 HZ2 LYS A 8 4.766 -5.410 -9.971 1.00 3.33 H new ATOM 0 HZ3 LYS A 8 4.790 -4.293 -11.250 1.00 3.33 H new ATOM 133 N SER A 9 9.934 -6.595 -13.024 1.00 2.23 N ATOM 134 CA SER A 9 11.264 -6.069 -13.314 1.00 24.10 C ATOM 135 C SER A 9 11.815 -5.296 -12.121 1.00 72.15 C ATOM 136 O SER A 9 11.233 -4.301 -11.688 1.00 12.02 O ATOM 137 CB SER A 9 11.218 -5.163 -14.547 1.00 32.24 C ATOM 138 OG SER A 9 10.868 -5.898 -15.707 1.00 32.31 O ATOM 0 H SER A 9 9.201 -5.887 -12.978 1.00 2.23 H new ATOM 0 HA SER A 9 11.926 -6.912 -13.515 1.00 24.10 H new ATOM 0 HB2 SER A 9 10.495 -4.363 -14.388 1.00 32.24 H new ATOM 0 HB3 SER A 9 12.190 -4.690 -14.691 1.00 32.24 H new ATOM 0 HG SER A 9 10.844 -5.297 -16.480 1.00 32.31 H new ATOM 144 N CYS A 10 12.942 -5.761 -11.593 1.00 31.30 N ATOM 145 CA CYS A 10 13.575 -5.115 -10.449 1.00 0.04 C ATOM 146 C CYS A 10 15.065 -4.904 -10.699 1.00 71.24 C ATOM 147 O CYS A 10 15.640 -5.485 -11.619 1.00 63.40 O ATOM 148 CB CYS A 10 13.373 -5.957 -9.187 1.00 71.41 C ATOM 149 SG CYS A 10 14.362 -7.485 -9.146 1.00 71.51 S ATOM 0 H CYS A 10 13.436 -6.583 -11.939 1.00 31.30 H new ATOM 0 HA CYS A 10 13.107 -4.141 -10.308 1.00 0.04 H new ATOM 0 HB2 CYS A 10 13.623 -5.352 -8.316 1.00 71.41 H new ATOM 0 HB3 CYS A 10 12.318 -6.218 -9.102 1.00 71.41 H new ATOM 154 N VAL A 11 15.685 -4.066 -9.873 1.00 11.35 N ATOM 155 CA VAL A 11 17.108 -3.779 -10.003 1.00 21.30 C ATOM 156 C VAL A 11 17.895 -4.352 -8.830 1.00 12.42 C ATOM 157 O VAL A 11 17.364 -4.567 -7.740 1.00 64.05 O ATOM 158 CB VAL A 11 17.368 -2.262 -10.090 1.00 2.54 C ATOM 159 CG1 VAL A 11 17.006 -1.736 -11.470 1.00 1.43 C ATOM 160 CG2 VAL A 11 16.592 -1.527 -9.008 1.00 21.03 C ATOM 0 H VAL A 11 15.224 -3.575 -9.107 1.00 11.35 H new ATOM 0 HA VAL A 11 17.443 -4.252 -10.926 1.00 21.30 H new ATOM 0 HB VAL A 11 18.431 -2.082 -9.928 1.00 2.54 H new ATOM 0 HG11 VAL A 11 17.196 -0.664 -11.512 1.00 1.43 H new ATOM 0 HG12 VAL A 11 17.611 -2.242 -12.222 1.00 1.43 H new ATOM 0 HG13 VAL A 11 15.951 -1.925 -11.666 1.00 1.43 H new ATOM 0 HG21 VAL A 11 16.787 -0.457 -9.084 1.00 21.03 H new ATOM 0 HG22 VAL A 11 15.525 -1.712 -9.136 1.00 21.03 H new ATOM 0 HG23 VAL A 11 16.907 -1.885 -8.028 1.00 21.03 H new ATOM 170 N PRO A 12 19.193 -4.606 -9.054 1.00 12.43 N ATOM 171 CA PRO A 12 20.081 -5.158 -8.027 1.00 32.44 C ATOM 172 C PRO A 12 20.370 -4.157 -6.913 1.00 74.42 C ATOM 173 O PRO A 12 20.776 -3.025 -7.172 1.00 32.53 O ATOM 174 CB PRO A 12 21.361 -5.479 -8.802 1.00 14.43 C ATOM 175 CG PRO A 12 21.341 -4.554 -9.969 1.00 24.34 C ATOM 176 CD PRO A 12 19.892 -4.374 -10.329 1.00 32.14 C ATOM 0 HA PRO A 12 19.641 -6.021 -7.527 1.00 32.44 H new ATOM 0 HB2 PRO A 12 22.246 -5.320 -8.186 1.00 14.43 H new ATOM 0 HB3 PRO A 12 21.378 -6.521 -9.123 1.00 14.43 H new ATOM 0 HG2 PRO A 12 21.802 -3.599 -9.718 1.00 24.34 H new ATOM 0 HG3 PRO A 12 21.903 -4.969 -10.806 1.00 24.34 H new ATOM 0 HD2 PRO A 12 19.696 -3.375 -10.719 1.00 32.14 H new ATOM 0 HD3 PRO A 12 19.577 -5.083 -11.095 1.00 32.14 H new ATOM 184 N GLY A 13 20.157 -4.584 -5.671 1.00 4.33 N ATOM 185 CA GLY A 13 20.399 -3.712 -4.537 1.00 32.52 C ATOM 186 C GLY A 13 19.116 -3.173 -3.935 1.00 64.23 C ATOM 187 O GLY A 13 19.099 -2.732 -2.785 1.00 14.33 O ATOM 0 H GLY A 13 19.822 -5.517 -5.431 1.00 4.33 H new ATOM 0 HA2 GLY A 13 20.953 -4.259 -3.774 1.00 32.52 H new ATOM 0 HA3 GLY A 13 21.027 -2.879 -4.851 1.00 32.52 H new ATOM 191 N LYS A 14 18.040 -3.207 -4.712 1.00 0.04 N ATOM 192 CA LYS A 14 16.746 -2.717 -4.251 1.00 54.41 C ATOM 193 C LYS A 14 15.935 -3.842 -3.616 1.00 4.00 C ATOM 194 O LYS A 14 15.453 -3.712 -2.492 1.00 23.42 O ATOM 195 CB LYS A 14 15.965 -2.105 -5.415 1.00 54.03 C ATOM 196 CG LYS A 14 16.454 -0.725 -5.818 1.00 64.22 C ATOM 197 CD LYS A 14 15.353 0.087 -6.479 1.00 44.52 C ATOM 198 CE LYS A 14 15.882 1.405 -7.023 1.00 40.23 C ATOM 199 NZ LYS A 14 16.136 2.392 -5.937 1.00 23.42 N1+ ATOM 0 H LYS A 14 18.038 -3.569 -5.666 1.00 0.04 H new ATOM 0 HA LYS A 14 16.923 -1.949 -3.498 1.00 54.41 H new ATOM 0 HB2 LYS A 14 16.032 -2.770 -6.276 1.00 54.03 H new ATOM 0 HB3 LYS A 14 14.912 -2.042 -5.142 1.00 54.03 H new ATOM 0 HG2 LYS A 14 16.819 -0.196 -4.937 1.00 64.22 H new ATOM 0 HG3 LYS A 14 17.296 -0.822 -6.503 1.00 64.22 H new ATOM 0 HD2 LYS A 14 14.910 -0.491 -7.290 1.00 44.52 H new ATOM 0 HD3 LYS A 14 14.560 0.282 -5.757 1.00 44.52 H new ATOM 0 HE2 LYS A 14 16.805 1.226 -7.574 1.00 40.23 H new ATOM 0 HE3 LYS A 14 15.164 1.820 -7.730 1.00 40.23 H new ATOM 0 HZ1 LYS A 14 16.496 3.277 -6.349 1.00 23.42 H new ATOM 0 HZ2 LYS A 14 15.250 2.583 -5.427 1.00 23.42 H new ATOM 0 HZ3 LYS A 14 16.840 2.007 -5.276 1.00 23.42 H new ATOM 213 N ASN A 15 15.789 -4.944 -4.343 1.00 73.20 N ATOM 214 CA ASN A 15 15.037 -6.091 -3.849 1.00 14.34 C ATOM 215 C ASN A 15 13.573 -5.725 -3.619 1.00 64.14 C ATOM 216 O ASN A 15 13.005 -6.029 -2.571 1.00 51.44 O ATOM 217 CB ASN A 15 15.654 -6.612 -2.550 1.00 54.45 C ATOM 218 CG ASN A 15 15.151 -7.995 -2.183 1.00 41.41 C ATOM 219 OD1 ASN A 15 14.354 -8.590 -2.909 1.00 64.21 O ATOM 220 ND2 ASN A 15 15.615 -8.512 -1.052 1.00 32.42 N ATOM 0 H ASN A 15 16.181 -5.067 -5.276 1.00 73.20 H new ATOM 0 HA ASN A 15 15.083 -6.875 -4.605 1.00 14.34 H new ATOM 0 HB2 ASN A 15 16.739 -6.638 -2.652 1.00 54.45 H new ATOM 0 HB3 ASN A 15 15.427 -5.919 -1.740 1.00 54.45 H new ATOM 0 HD21 ASN A 15 15.312 -9.439 -0.753 1.00 32.42 H new ATOM 0 HD22 ASN A 15 16.274 -7.982 -0.482 1.00 32.42 H new ATOM 227 N GLU A 16 12.971 -5.069 -4.606 1.00 32.33 N ATOM 228 CA GLU A 16 11.575 -4.660 -4.511 1.00 13.41 C ATOM 229 C GLU A 16 10.664 -5.872 -4.332 1.00 64.50 C ATOM 230 O GLU A 16 9.569 -5.764 -3.780 1.00 74.33 O ATOM 231 CB GLU A 16 11.163 -3.879 -5.760 1.00 71.25 C ATOM 232 CG GLU A 16 12.149 -2.792 -6.151 1.00 14.43 C ATOM 233 CD GLU A 16 11.639 -1.922 -7.284 1.00 4.31 C ATOM 234 OE1 GLU A 16 10.690 -1.145 -7.056 1.00 72.13 O1- ATOM 235 OE2 GLU A 16 12.191 -2.019 -8.400 1.00 53.21 O ATOM 0 H GLU A 16 13.428 -4.810 -5.480 1.00 32.33 H new ATOM 0 HA GLU A 16 11.470 -4.016 -3.638 1.00 13.41 H new ATOM 0 HB2 GLU A 16 11.052 -4.574 -6.593 1.00 71.25 H new ATOM 0 HB3 GLU A 16 10.186 -3.427 -5.590 1.00 71.25 H new ATOM 0 HG2 GLU A 16 12.358 -2.166 -5.283 1.00 14.43 H new ATOM 0 HG3 GLU A 16 13.092 -3.251 -6.447 1.00 14.43 H new ATOM 242 N CYS A 17 11.126 -7.026 -4.802 1.00 11.40 N ATOM 243 CA CYS A 17 10.355 -8.259 -4.696 1.00 22.31 C ATOM 244 C CYS A 17 9.899 -8.493 -3.258 1.00 74.41 C ATOM 245 O CYS A 17 10.525 -8.017 -2.312 1.00 72.35 O ATOM 246 CB CYS A 17 11.187 -9.448 -5.179 1.00 4.44 C ATOM 247 SG CYS A 17 11.846 -9.258 -6.866 1.00 32.42 S ATOM 0 H CYS A 17 12.031 -7.133 -5.260 1.00 11.40 H new ATOM 0 HA CYS A 17 9.472 -8.162 -5.327 1.00 22.31 H new ATOM 0 HB2 CYS A 17 12.018 -9.599 -4.491 1.00 4.44 H new ATOM 0 HB3 CYS A 17 10.573 -10.348 -5.140 1.00 4.44 H new ATOM 252 N CYS A 18 8.805 -9.230 -3.103 1.00 55.14 N ATOM 253 CA CYS A 18 8.264 -9.529 -1.783 1.00 24.25 C ATOM 254 C CYS A 18 9.236 -10.384 -0.977 1.00 71.35 C ATOM 255 O CYS A 18 10.140 -11.008 -1.535 1.00 42.53 O ATOM 256 CB CYS A 18 6.920 -10.249 -1.910 1.00 74.34 C ATOM 257 SG CYS A 18 5.681 -9.345 -2.894 1.00 70.23 S ATOM 0 H CYS A 18 8.275 -9.632 -3.876 1.00 55.14 H new ATOM 0 HA CYS A 18 8.115 -8.586 -1.258 1.00 24.25 H new ATOM 0 HB2 CYS A 18 7.085 -11.226 -2.363 1.00 74.34 H new ATOM 0 HB3 CYS A 18 6.518 -10.424 -0.912 1.00 74.34 H new ATOM 262 N SER A 19 9.046 -10.407 0.338 1.00 22.25 N ATOM 263 CA SER A 19 9.908 -11.182 1.223 1.00 43.45 C ATOM 264 C SER A 19 10.009 -12.630 0.751 1.00 70.33 C ATOM 265 O SER A 19 9.003 -13.266 0.445 1.00 11.24 O ATOM 266 CB SER A 19 9.377 -11.137 2.656 1.00 33.12 C ATOM 267 OG SER A 19 10.328 -11.659 3.568 1.00 24.23 O ATOM 0 H SER A 19 8.302 -9.897 0.815 1.00 22.25 H new ATOM 0 HA SER A 19 10.904 -10.739 1.199 1.00 43.45 H new ATOM 0 HB2 SER A 19 9.136 -10.109 2.926 1.00 33.12 H new ATOM 0 HB3 SER A 19 8.452 -11.710 2.723 1.00 33.12 H new ATOM 0 HG SER A 19 9.966 -11.618 4.478 1.00 24.23 H new ATOM 273 N GLY A 20 11.235 -13.143 0.694 1.00 54.32 N ATOM 274 CA GLY A 20 11.447 -14.511 0.259 1.00 63.31 C ATOM 275 C GLY A 20 11.912 -14.596 -1.182 1.00 44.33 C ATOM 276 O GLY A 20 12.459 -15.614 -1.605 1.00 41.02 O ATOM 0 H GLY A 20 12.084 -12.635 0.941 1.00 54.32 H new ATOM 0 HA2 GLY A 20 12.187 -14.984 0.905 1.00 63.31 H new ATOM 0 HA3 GLY A 20 10.520 -15.073 0.372 1.00 63.31 H new ATOM 280 N TYR A 21 11.693 -13.525 -1.936 1.00 22.43 N ATOM 281 CA TYR A 21 12.091 -13.485 -3.338 1.00 33.31 C ATOM 282 C TYR A 21 13.451 -12.811 -3.500 1.00 73.24 C ATOM 283 O TYR A 21 13.803 -11.908 -2.740 1.00 45.31 O ATOM 284 CB TYR A 21 11.040 -12.743 -4.166 1.00 52.44 C ATOM 285 CG TYR A 21 9.720 -13.473 -4.265 1.00 32.41 C ATOM 286 CD1 TYR A 21 8.901 -13.622 -3.152 1.00 11.45 C ATOM 287 CD2 TYR A 21 9.292 -14.014 -5.471 1.00 74.25 C ATOM 288 CE1 TYR A 21 7.695 -14.290 -3.237 1.00 3.33 C ATOM 289 CE2 TYR A 21 8.086 -14.682 -5.566 1.00 54.23 C ATOM 290 CZ TYR A 21 7.292 -14.818 -4.446 1.00 12.33 C ATOM 291 OH TYR A 21 6.089 -15.482 -4.535 1.00 53.32 O ATOM 0 H TYR A 21 11.242 -12.674 -1.600 1.00 22.43 H new ATOM 0 HA TYR A 21 12.170 -14.511 -3.697 1.00 33.31 H new ATOM 0 HB2 TYR A 21 10.870 -11.761 -3.725 1.00 52.44 H new ATOM 0 HB3 TYR A 21 11.431 -12.579 -5.170 1.00 52.44 H new ATOM 0 HD1 TYR A 21 9.213 -13.208 -2.204 1.00 11.45 H new ATOM 0 HD2 TYR A 21 9.912 -13.911 -6.349 1.00 74.25 H new ATOM 0 HE1 TYR A 21 7.071 -14.398 -2.362 1.00 3.33 H new ATOM 0 HE2 TYR A 21 7.767 -15.095 -6.511 1.00 54.23 H new ATOM 0 HH TYR A 21 5.953 -15.791 -5.455 1.00 53.32 H new ATOM 301 N ALA A 22 14.209 -13.256 -4.495 1.00 51.33 N ATOM 302 CA ALA A 22 15.529 -12.697 -4.760 1.00 3.12 C ATOM 303 C ALA A 22 15.533 -11.889 -6.053 1.00 1.44 C ATOM 304 O ALA A 22 14.603 -11.977 -6.856 1.00 35.51 O ATOM 305 CB ALA A 22 16.569 -13.805 -4.824 1.00 41.01 C ATOM 0 H ALA A 22 13.932 -14.003 -5.132 1.00 51.33 H new ATOM 0 HA ALA A 22 15.782 -12.024 -3.941 1.00 3.12 H new ATOM 0 HB1 ALA A 22 17.550 -13.373 -5.023 1.00 41.01 H new ATOM 0 HB2 ALA A 22 16.593 -14.337 -3.873 1.00 41.01 H new ATOM 0 HB3 ALA A 22 16.311 -14.501 -5.623 1.00 41.01 H new ATOM 311 N CYS A 23 16.586 -11.102 -6.250 1.00 21.01 N ATOM 312 CA CYS A 23 16.711 -10.277 -7.446 1.00 23.22 C ATOM 313 C CYS A 23 17.913 -10.709 -8.281 1.00 64.21 C ATOM 314 O CYS A 23 18.990 -10.973 -7.747 1.00 75.42 O ATOM 315 CB CYS A 23 16.847 -8.802 -7.062 1.00 63.31 C ATOM 316 SG CYS A 23 15.322 -7.831 -7.287 1.00 53.32 S ATOM 0 H CYS A 23 17.365 -11.018 -5.597 1.00 21.01 H new ATOM 0 HA CYS A 23 15.809 -10.408 -8.044 1.00 23.22 H new ATOM 0 HB2 CYS A 23 17.156 -8.736 -6.019 1.00 63.31 H new ATOM 0 HB3 CYS A 23 17.642 -8.354 -7.659 1.00 63.31 H new ATOM 321 N SER A 24 17.720 -10.779 -9.595 1.00 62.22 N ATOM 322 CA SER A 24 18.786 -11.182 -10.504 1.00 42.32 C ATOM 323 C SER A 24 19.099 -10.070 -11.501 1.00 4.53 C ATOM 324 O SER A 24 18.291 -9.761 -12.376 1.00 35.33 O ATOM 325 CB SER A 24 18.392 -12.457 -11.252 1.00 23.52 C ATOM 326 OG SER A 24 19.446 -13.404 -11.236 1.00 60.13 O ATOM 0 H SER A 24 16.835 -10.562 -10.053 1.00 62.22 H new ATOM 0 HA SER A 24 19.680 -11.378 -9.912 1.00 42.32 H new ATOM 0 HB2 SER A 24 17.503 -12.890 -10.795 1.00 23.52 H new ATOM 0 HB3 SER A 24 18.134 -12.213 -12.282 1.00 23.52 H new ATOM 0 HG SER A 24 19.169 -14.210 -11.719 1.00 60.13 H new ATOM 332 N SER A 25 20.278 -9.473 -11.360 1.00 53.21 N ATOM 333 CA SER A 25 20.697 -8.393 -12.246 1.00 62.51 C ATOM 334 C SER A 25 21.012 -8.925 -13.641 1.00 52.10 C ATOM 335 O SER A 25 20.982 -8.182 -14.622 1.00 0.11 O ATOM 336 CB SER A 25 21.924 -7.681 -11.671 1.00 3.21 C ATOM 337 OG SER A 25 23.123 -8.271 -12.140 1.00 24.10 O ATOM 0 H SER A 25 20.959 -9.718 -10.642 1.00 53.21 H new ATOM 0 HA SER A 25 19.875 -7.681 -12.325 1.00 62.51 H new ATOM 0 HB2 SER A 25 21.900 -6.627 -11.949 1.00 3.21 H new ATOM 0 HB3 SER A 25 21.896 -7.724 -10.582 1.00 3.21 H new ATOM 0 HG SER A 25 23.892 -7.797 -11.759 1.00 24.10 H new ATOM 343 N ARG A 26 21.313 -10.217 -13.721 1.00 62.31 N ATOM 344 CA ARG A 26 21.634 -10.849 -14.994 1.00 24.03 C ATOM 345 C ARG A 26 20.555 -10.559 -16.033 1.00 71.54 C ATOM 346 O ARG A 26 20.855 -10.178 -17.164 1.00 33.12 O ATOM 347 CB ARG A 26 21.788 -12.361 -14.813 1.00 32.33 C ATOM 348 CG ARG A 26 22.703 -13.007 -15.840 1.00 34.31 C ATOM 349 CD ARG A 26 23.251 -14.335 -15.341 1.00 74.15 C ATOM 350 NE ARG A 26 24.218 -14.156 -14.261 1.00 34.12 N ATOM 351 CZ ARG A 26 24.732 -15.162 -13.562 1.00 62.23 C ATOM 352 NH1 ARG A 26 24.375 -16.410 -13.828 1.00 4.20 N1+ ATOM 353 NH2 ARG A 26 25.606 -14.919 -12.593 1.00 25.53 N ATOM 0 H ARG A 26 21.341 -10.846 -12.919 1.00 62.31 H new ATOM 0 HA ARG A 26 22.577 -10.434 -15.349 1.00 24.03 H new ATOM 0 HB2 ARG A 26 22.178 -12.561 -13.815 1.00 32.33 H new ATOM 0 HB3 ARG A 26 20.805 -12.827 -14.871 1.00 32.33 H new ATOM 0 HG2 ARG A 26 22.155 -13.164 -16.769 1.00 34.31 H new ATOM 0 HG3 ARG A 26 23.529 -12.334 -16.067 1.00 34.31 H new ATOM 0 HD2 ARG A 26 22.428 -14.958 -14.991 1.00 74.15 H new ATOM 0 HD3 ARG A 26 23.724 -14.866 -16.167 1.00 74.15 H new ATOM 0 HE ARG A 26 24.515 -13.208 -14.031 1.00 34.12 H new ATOM 0 HH11 ARG A 26 23.703 -16.601 -14.572 1.00 4.20 H new ATOM 0 HH12 ARG A 26 24.772 -17.180 -13.289 1.00 4.20 H new ATOM 0 HH21 ARG A 26 25.883 -13.960 -12.385 1.00 25.53 H new ATOM 0 HH22 ARG A 26 26.000 -15.692 -12.056 1.00 25.53 H new ATOM 367 N ASP A 27 19.299 -10.741 -15.641 1.00 53.53 N ATOM 368 CA ASP A 27 18.175 -10.498 -16.538 1.00 64.32 C ATOM 369 C ASP A 27 17.310 -9.351 -16.027 1.00 51.53 C ATOM 370 O ASP A 27 16.332 -8.963 -16.665 1.00 70.30 O ATOM 371 CB ASP A 27 17.329 -11.765 -16.684 1.00 24.43 C ATOM 372 CG ASP A 27 17.454 -12.389 -18.060 1.00 71.42 C ATOM 373 OD1 ASP A 27 18.597 -12.563 -18.530 1.00 61.54 O ATOM 374 OD2 ASP A 27 16.408 -12.701 -18.667 1.00 34.43 O1- ATOM 0 H ASP A 27 19.033 -11.056 -14.708 1.00 53.53 H new ATOM 0 HA ASP A 27 18.574 -10.221 -17.514 1.00 64.32 H new ATOM 0 HB2 ASP A 27 17.634 -12.491 -15.930 1.00 24.43 H new ATOM 0 HB3 ASP A 27 16.284 -11.525 -16.491 1.00 24.43 H new ATOM 379 N LYS A 28 17.676 -8.810 -14.869 1.00 24.22 N ATOM 380 CA LYS A 28 16.936 -7.706 -14.271 1.00 42.13 C ATOM 381 C LYS A 28 15.483 -8.099 -14.020 1.00 72.43 C ATOM 382 O LYS A 28 14.560 -7.404 -14.446 1.00 12.12 O ATOM 383 CB LYS A 28 16.993 -6.475 -15.178 1.00 42.20 C ATOM 384 CG LYS A 28 18.270 -5.668 -15.027 1.00 61.11 C ATOM 385 CD LYS A 28 18.106 -4.258 -15.570 1.00 63.24 C ATOM 386 CE LYS A 28 19.073 -3.289 -14.907 1.00 34.52 C ATOM 387 NZ LYS A 28 20.358 -3.192 -15.653 1.00 25.10 N1+ ATOM 0 H LYS A 28 18.482 -9.119 -14.326 1.00 24.22 H new ATOM 0 HA LYS A 28 17.400 -7.466 -13.315 1.00 42.13 H new ATOM 0 HB2 LYS A 28 16.895 -6.794 -16.216 1.00 42.20 H new ATOM 0 HB3 LYS A 28 16.139 -5.833 -14.960 1.00 42.20 H new ATOM 0 HG2 LYS A 28 18.551 -5.623 -13.975 1.00 61.11 H new ATOM 0 HG3 LYS A 28 19.083 -6.169 -15.553 1.00 61.11 H new ATOM 0 HD2 LYS A 28 18.273 -4.260 -16.647 1.00 63.24 H new ATOM 0 HD3 LYS A 28 17.082 -3.921 -15.407 1.00 63.24 H new ATOM 0 HE2 LYS A 28 18.614 -2.303 -14.845 1.00 34.52 H new ATOM 0 HE3 LYS A 28 19.270 -3.614 -13.885 1.00 34.52 H new ATOM 0 HZ1 LYS A 28 20.990 -2.522 -15.170 1.00 25.10 H new ATOM 0 HZ2 LYS A 28 20.809 -4.128 -15.691 1.00 25.10 H new ATOM 0 HZ3 LYS A 28 20.173 -2.858 -16.620 1.00 25.10 H new ATOM 401 N TRP A 29 15.288 -9.214 -13.324 1.00 31.41 N ATOM 402 CA TRP A 29 13.947 -9.697 -13.016 1.00 42.43 C ATOM 403 C TRP A 29 13.864 -10.188 -11.575 1.00 31.51 C ATOM 404 O TRP A 29 14.820 -10.060 -10.809 1.00 3.13 O ATOM 405 CB TRP A 29 13.555 -10.821 -13.974 1.00 32.13 C ATOM 406 CG TRP A 29 14.563 -11.929 -14.036 1.00 73.24 C ATOM 407 CD1 TRP A 29 15.556 -12.184 -13.133 1.00 40.14 C ATOM 408 CD2 TRP A 29 14.678 -12.928 -15.054 1.00 44.13 C ATOM 409 NE1 TRP A 29 16.281 -13.282 -13.530 1.00 31.43 N ATOM 410 CE2 TRP A 29 15.761 -13.758 -14.705 1.00 72.32 C ATOM 411 CE3 TRP A 29 13.969 -13.205 -16.227 1.00 30.31 C ATOM 412 CZ2 TRP A 29 16.151 -14.842 -15.487 1.00 63.02 C ATOM 413 CZ3 TRP A 29 14.357 -14.282 -17.001 1.00 21.22 C ATOM 414 CH2 TRP A 29 15.439 -15.089 -16.629 1.00 64.04 C ATOM 0 H TRP A 29 16.041 -9.800 -12.963 1.00 31.41 H new ATOM 0 HA TRP A 29 13.251 -8.867 -13.138 1.00 42.43 H new ATOM 0 HB2 TRP A 29 12.593 -11.232 -13.667 1.00 32.13 H new ATOM 0 HB3 TRP A 29 13.420 -10.406 -14.973 1.00 32.13 H new ATOM 0 HD1 TRP A 29 15.744 -11.608 -12.239 1.00 40.14 H new ATOM 0 HE1 TRP A 29 17.077 -13.678 -13.031 1.00 31.43 H new ATOM 0 HE3 TRP A 29 13.133 -12.588 -16.523 1.00 30.31 H new ATOM 0 HZ2 TRP A 29 16.986 -15.466 -15.202 1.00 63.02 H new ATOM 0 HZ3 TRP A 29 13.816 -14.505 -17.909 1.00 21.22 H new ATOM 0 HH2 TRP A 29 15.717 -15.923 -17.256 1.00 64.04 H new ATOM 425 N CYS A 30 12.716 -10.750 -11.212 1.00 44.54 N ATOM 426 CA CYS A 30 12.507 -11.261 -9.862 1.00 1.53 C ATOM 427 C CYS A 30 12.794 -12.758 -9.797 1.00 31.32 C ATOM 428 O CYS A 30 12.905 -13.426 -10.825 1.00 74.25 O ATOM 429 CB CYS A 30 11.074 -10.984 -9.406 1.00 64.32 C ATOM 430 SG CYS A 30 10.836 -9.338 -8.659 1.00 55.01 S ATOM 0 H CYS A 30 11.916 -10.863 -11.834 1.00 44.54 H new ATOM 0 HA CYS A 30 13.199 -10.747 -9.194 1.00 1.53 H new ATOM 0 HB2 CYS A 30 10.406 -11.083 -10.262 1.00 64.32 H new ATOM 0 HB3 CYS A 30 10.781 -11.745 -8.683 1.00 64.32 H new ATOM 435 N LYS A 31 12.912 -13.280 -8.580 1.00 1.34 N ATOM 436 CA LYS A 31 13.183 -14.698 -8.379 1.00 53.31 C ATOM 437 C LYS A 31 12.403 -15.237 -7.184 1.00 30.41 C ATOM 438 O LYS A 31 12.136 -14.511 -6.226 1.00 2.12 O ATOM 439 CB LYS A 31 14.682 -14.927 -8.168 1.00 64.22 C ATOM 440 CG LYS A 31 15.554 -14.240 -9.205 1.00 62.34 C ATOM 441 CD LYS A 31 15.408 -14.888 -10.572 1.00 21.52 C ATOM 442 CE LYS A 31 16.614 -15.751 -10.910 1.00 41.12 C ATOM 443 NZ LYS A 31 16.374 -17.187 -10.597 1.00 11.43 N1+ ATOM 0 H LYS A 31 12.824 -12.741 -7.718 1.00 1.34 H new ATOM 0 HA LYS A 31 12.862 -15.234 -9.272 1.00 53.31 H new ATOM 0 HB2 LYS A 31 14.960 -14.569 -7.177 1.00 64.22 H new ATOM 0 HB3 LYS A 31 14.884 -15.998 -8.188 1.00 64.22 H new ATOM 0 HG2 LYS A 31 15.283 -13.186 -9.270 1.00 62.34 H new ATOM 0 HG3 LYS A 31 16.597 -14.282 -8.891 1.00 62.34 H new ATOM 0 HD2 LYS A 31 14.505 -15.498 -10.592 1.00 21.52 H new ATOM 0 HD3 LYS A 31 15.288 -14.115 -11.331 1.00 21.52 H new ATOM 0 HE2 LYS A 31 16.851 -15.645 -11.969 1.00 41.12 H new ATOM 0 HE3 LYS A 31 17.481 -15.398 -10.352 1.00 41.12 H new ATOM 0 HZ1 LYS A 31 17.219 -17.742 -10.842 1.00 11.43 H new ATOM 0 HZ2 LYS A 31 16.173 -17.292 -9.582 1.00 11.43 H new ATOM 0 HZ3 LYS A 31 15.562 -17.532 -11.148 1.00 11.43 H new ATOM 457 N VAL A 32 12.040 -16.514 -7.247 1.00 34.04 N ATOM 458 CA VAL A 32 11.293 -17.151 -6.169 1.00 65.25 C ATOM 459 C VAL A 32 11.942 -18.466 -5.753 1.00 2.32 C ATOM 460 O VAL A 32 12.290 -19.294 -6.596 1.00 22.20 O ATOM 461 CB VAL A 32 9.833 -17.418 -6.579 1.00 73.43 C ATOM 462 CG1 VAL A 32 9.776 -18.402 -7.738 1.00 11.10 C ATOM 463 CG2 VAL A 32 9.031 -17.932 -5.392 1.00 60.31 C ATOM 0 H VAL A 32 12.251 -17.128 -8.034 1.00 34.04 H new ATOM 0 HA VAL A 32 11.305 -16.461 -5.325 1.00 65.25 H new ATOM 0 HB VAL A 32 9.389 -16.479 -6.908 1.00 73.43 H new ATOM 0 HG11 VAL A 32 8.737 -18.579 -8.014 1.00 11.10 H new ATOM 0 HG12 VAL A 32 10.313 -17.990 -8.592 1.00 11.10 H new ATOM 0 HG13 VAL A 32 10.237 -19.343 -7.439 1.00 11.10 H new ATOM 0 HG21 VAL A 32 8.002 -18.115 -5.700 1.00 60.31 H new ATOM 0 HG22 VAL A 32 9.472 -18.861 -5.030 1.00 60.31 H new ATOM 0 HG23 VAL A 32 9.044 -17.189 -4.595 1.00 60.31 H new ATOM 473 N LEU A 33 12.100 -18.654 -4.447 1.00 35.50 N ATOM 474 CA LEU A 33 12.707 -19.871 -3.917 1.00 75.13 C ATOM 475 C LEU A 33 11.852 -21.091 -4.240 1.00 13.13 C ATOM 476 O LEU A 33 10.623 -21.009 -4.280 1.00 43.41 O ATOM 477 CB LEU A 33 12.897 -19.753 -2.405 1.00 4.12 C ATOM 478 CG LEU A 33 13.720 -18.558 -1.923 1.00 42.40 C ATOM 479 CD1 LEU A 33 13.333 -18.181 -0.500 1.00 61.02 C ATOM 480 CD2 LEU A 33 15.208 -18.864 -2.009 1.00 62.44 C ATOM 0 H LEU A 33 11.817 -17.980 -3.736 1.00 35.50 H new ATOM 0 HA LEU A 33 13.681 -19.997 -4.390 1.00 75.13 H new ATOM 0 HB2 LEU A 33 11.913 -19.703 -1.938 1.00 4.12 H new ATOM 0 HB3 LEU A 33 13.374 -20.665 -2.047 1.00 4.12 H new ATOM 0 HG LEU A 33 13.506 -17.710 -2.573 1.00 42.40 H new ATOM 0 HD11 LEU A 33 13.929 -17.329 -0.174 1.00 61.02 H new ATOM 0 HD12 LEU A 33 12.276 -17.918 -0.468 1.00 61.02 H new ATOM 0 HD13 LEU A 33 13.516 -19.026 0.163 1.00 61.02 H new ATOM 0 HD21 LEU A 33 15.777 -18.002 -1.662 1.00 62.44 H new ATOM 0 HD22 LEU A 33 15.439 -19.727 -1.384 1.00 62.44 H new ATOM 0 HD23 LEU A 33 15.475 -19.083 -3.043 1.00 62.44 H new ATOM 492 N LEU A 34 12.507 -22.224 -4.468 1.00 44.45 N ATOM 493 CA LEU A 34 11.806 -23.463 -4.786 1.00 44.30 C ATOM 494 C LEU A 34 11.618 -24.317 -3.537 1.00 65.04 C ATOM 495 O LEU A 34 10.867 -25.292 -3.546 1.00 62.12 O ATOM 496 CB LEU A 34 12.579 -24.252 -5.845 1.00 14.40 C ATOM 497 CG LEU A 34 13.861 -24.938 -5.369 1.00 53.30 C ATOM 498 CD1 LEU A 34 13.558 -26.339 -4.862 1.00 21.23 C ATOM 499 CD2 LEU A 34 14.888 -24.984 -6.490 1.00 1.13 C ATOM 0 H LEU A 34 13.523 -22.310 -4.439 1.00 44.45 H new ATOM 0 HA LEU A 34 10.823 -23.205 -5.179 1.00 44.30 H new ATOM 0 HB2 LEU A 34 11.916 -25.012 -6.259 1.00 14.40 H new ATOM 0 HB3 LEU A 34 12.834 -23.574 -6.660 1.00 14.40 H new ATOM 0 HG LEU A 34 14.278 -24.358 -4.546 1.00 53.30 H new ATOM 0 HD11 LEU A 34 14.481 -26.812 -4.527 1.00 21.23 H new ATOM 0 HD12 LEU A 34 12.857 -26.281 -4.029 1.00 21.23 H new ATOM 0 HD13 LEU A 34 13.118 -26.930 -5.666 1.00 21.23 H new ATOM 0 HD21 LEU A 34 15.794 -25.475 -6.134 1.00 1.13 H new ATOM 0 HD22 LEU A 34 14.481 -25.541 -7.334 1.00 1.13 H new ATOM 0 HD23 LEU A 34 15.127 -23.969 -6.807 1.00 1.13 H new TER 511 LEU A 34