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+ 169:sc= -0.0694 (180deg=-0.275) USER MOD Single : A 4 LYS NZ :NH3+ -158:sc= 0.492 (180deg=0.252) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 42:sc= 0.293 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.021) 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 0.533 0.243 -5.904 1.00 12.11 N ATOM 2 CA ALA A 1 0.920 0.346 -4.503 1.00 52.14 C ATOM 3 C ALA A 1 1.225 -1.027 -3.914 1.00 25.12 C ATOM 4 O ALA A 1 1.120 -1.232 -2.706 1.00 21.21 O ATOM 5 CB ALA A 1 -0.176 1.034 -3.701 1.00 2.33 C ATOM 0 H1 ALA A 1 0.154 1.156 -6.228 1.00 12.11 H new ATOM 0 H2 ALA A 1 1.364 -0.009 -6.476 1.00 12.11 H new ATOM 0 H3 ALA A 1 -0.196 -0.491 -6.010 1.00 12.11 H new ATOM 0 HA ALA A 1 1.828 0.946 -4.447 1.00 52.14 H new ATOM 0 HB1 ALA A 1 0.127 1.104 -2.656 1.00 2.33 H new ATOM 0 HB2 ALA A 1 -0.343 2.035 -4.098 1.00 2.33 H new ATOM 0 HB3 ALA A 1 -1.097 0.456 -3.774 1.00 2.33 H new ATOM 13 N GLU A 2 1.603 -1.965 -4.778 1.00 50.00 N ATOM 14 CA GLU A 2 1.922 -3.319 -4.343 1.00 54.11 C ATOM 15 C GLU A 2 3.392 -3.640 -4.596 1.00 62.42 C ATOM 16 O GLU A 2 4.056 -2.977 -5.392 1.00 2.33 O ATOM 17 CB GLU A 2 1.035 -4.334 -5.069 1.00 32.40 C ATOM 18 CG GLU A 2 0.880 -5.649 -4.323 1.00 63.31 C ATOM 19 CD GLU A 2 -0.438 -6.337 -4.623 1.00 50.54 C ATOM 20 OE1 GLU A 2 -1.496 -5.765 -4.289 1.00 14.01 O1- ATOM 21 OE2 GLU A 2 -0.408 -7.449 -5.193 1.00 43.45 O ATOM 0 H GLU A 2 1.695 -1.811 -5.782 1.00 50.00 H new ATOM 0 HA GLU A 2 1.733 -3.383 -3.271 1.00 54.11 H new ATOM 0 HB2 GLU A 2 0.049 -3.896 -5.226 1.00 32.40 H new ATOM 0 HB3 GLU A 2 1.456 -4.532 -6.055 1.00 32.40 H new ATOM 0 HG2 GLU A 2 1.702 -6.313 -4.590 1.00 63.31 H new ATOM 0 HG3 GLU A 2 0.954 -5.466 -3.251 1.00 63.31 H new ATOM 28 N CYS A 3 3.894 -4.662 -3.911 1.00 61.14 N ATOM 29 CA CYS A 3 5.286 -5.072 -4.059 1.00 54.52 C ATOM 30 C CYS A 3 5.486 -5.867 -5.346 1.00 4.43 C ATOM 31 O CYS A 3 4.532 -6.400 -5.914 1.00 45.13 O ATOM 32 CB CYS A 3 5.723 -5.911 -2.856 1.00 25.33 C ATOM 33 SG CYS A 3 4.873 -7.516 -2.721 1.00 61.41 S ATOM 0 H CYS A 3 3.358 -5.222 -3.248 1.00 61.14 H new ATOM 0 HA CYS A 3 5.900 -4.173 -4.109 1.00 54.52 H new ATOM 0 HB2 CYS A 3 6.797 -6.085 -2.919 1.00 25.33 H new ATOM 0 HB3 CYS A 3 5.545 -5.340 -1.945 1.00 25.33 H new ATOM 38 N LYS A 4 6.731 -5.941 -5.801 1.00 51.35 N ATOM 39 CA LYS A 4 7.058 -6.671 -7.021 1.00 63.21 C ATOM 40 C LYS A 4 6.556 -8.109 -6.945 1.00 14.51 C ATOM 41 O LYS A 4 6.061 -8.551 -5.908 1.00 75.33 O ATOM 42 CB LYS A 4 8.570 -6.659 -7.258 1.00 74.44 C ATOM 43 CG LYS A 4 9.005 -5.713 -8.364 1.00 52.44 C ATOM 44 CD LYS A 4 8.565 -4.286 -8.083 1.00 1.14 C ATOM 45 CE LYS A 4 9.212 -3.304 -9.048 1.00 12.25 C ATOM 46 NZ LYS A 4 8.666 -1.927 -8.886 1.00 43.31 N1+ ATOM 0 H LYS A 4 7.531 -5.504 -5.344 1.00 51.35 H new ATOM 0 HA LYS A 4 6.562 -6.175 -7.855 1.00 63.21 H new ATOM 0 HB2 LYS A 4 9.072 -6.378 -6.332 1.00 74.44 H new ATOM 0 HB3 LYS A 4 8.899 -7.669 -7.505 1.00 74.44 H new ATOM 0 HG2 LYS A 4 10.090 -5.747 -8.467 1.00 52.44 H new ATOM 0 HG3 LYS A 4 8.584 -6.044 -9.313 1.00 52.44 H new ATOM 0 HD2 LYS A 4 7.480 -4.216 -8.163 1.00 1.14 H new ATOM 0 HD3 LYS A 4 8.827 -4.018 -7.059 1.00 1.14 H new ATOM 0 HE2 LYS A 4 10.289 -3.289 -8.884 1.00 12.25 H new ATOM 0 HE3 LYS A 4 9.050 -3.641 -10.072 1.00 12.25 H new ATOM 0 HZ1 LYS A 4 8.829 -1.384 -9.758 1.00 43.31 H new ATOM 0 HZ2 LYS A 4 7.645 -1.979 -8.696 1.00 43.31 H new ATOM 0 HZ3 LYS A 4 9.143 -1.456 -8.091 1.00 43.31 H new ATOM 60 N GLY A 5 6.690 -8.837 -8.050 1.00 61.21 N ATOM 61 CA GLY A 5 6.246 -10.219 -8.086 1.00 24.52 C ATOM 62 C GLY A 5 7.380 -11.184 -8.371 1.00 12.03 C ATOM 63 O GLY A 5 8.432 -11.123 -7.735 1.00 44.11 O ATOM 0 H GLY A 5 7.098 -8.495 -8.920 1.00 61.21 H new ATOM 0 HA2 GLY A 5 5.786 -10.475 -7.131 1.00 24.52 H new ATOM 0 HA3 GLY A 5 5.477 -10.331 -8.850 1.00 24.52 H new ATOM 67 N PHE A 6 7.165 -12.080 -9.329 1.00 74.41 N ATOM 68 CA PHE A 6 8.176 -13.065 -9.695 1.00 14.12 C ATOM 69 C PHE A 6 8.717 -12.794 -11.096 1.00 20.32 C ATOM 70 O PHE A 6 9.892 -13.030 -11.376 1.00 30.10 O ATOM 71 CB PHE A 6 7.592 -14.477 -9.626 1.00 62.42 C ATOM 72 CG PHE A 6 8.501 -15.531 -10.192 1.00 64.14 C ATOM 73 CD1 PHE A 6 9.812 -15.638 -9.758 1.00 22.52 C ATOM 74 CD2 PHE A 6 8.044 -16.412 -11.159 1.00 43.12 C ATOM 75 CE1 PHE A 6 10.651 -16.607 -10.277 1.00 21.53 C ATOM 76 CE2 PHE A 6 8.878 -17.382 -11.681 1.00 4.40 C ATOM 77 CZ PHE A 6 10.184 -17.479 -11.240 1.00 31.41 C ATOM 0 H PHE A 6 6.300 -12.144 -9.866 1.00 74.41 H new ATOM 0 HA PHE A 6 8.999 -12.985 -8.985 1.00 14.12 H new ATOM 0 HB2 PHE A 6 7.371 -14.720 -8.587 1.00 62.42 H new ATOM 0 HB3 PHE A 6 6.646 -14.497 -10.166 1.00 62.42 H new ATOM 0 HD1 PHE A 6 10.183 -14.957 -9.006 1.00 22.52 H new ATOM 0 HD2 PHE A 6 7.025 -16.340 -11.508 1.00 43.12 H new ATOM 0 HE1 PHE A 6 11.671 -16.682 -9.929 1.00 21.53 H new ATOM 0 HE2 PHE A 6 8.509 -18.064 -12.433 1.00 4.40 H new ATOM 0 HZ PHE A 6 10.838 -18.235 -11.648 1.00 31.41 H new ATOM 87 N TRP A 7 7.850 -12.298 -11.972 1.00 11.32 N ATOM 88 CA TRP A 7 8.239 -11.995 -13.344 1.00 4.43 C ATOM 89 C TRP A 7 8.506 -10.504 -13.518 1.00 5.24 C ATOM 90 O TRP A 7 9.053 -10.075 -14.535 1.00 41.31 O ATOM 91 CB TRP A 7 7.150 -12.447 -14.317 1.00 72.42 C ATOM 92 CG TRP A 7 7.668 -12.762 -15.687 1.00 54.44 C ATOM 93 CD1 TRP A 7 7.591 -11.966 -16.795 1.00 11.44 C ATOM 94 CD2 TRP A 7 8.343 -13.957 -16.095 1.00 32.22 C ATOM 95 NE1 TRP A 7 8.178 -12.596 -17.867 1.00 40.53 N ATOM 96 CE2 TRP A 7 8.647 -13.818 -17.463 1.00 53.24 C ATOM 97 CE3 TRP A 7 8.722 -15.130 -15.437 1.00 11.41 C ATOM 98 CZ2 TRP A 7 9.310 -14.809 -18.183 1.00 5.53 C ATOM 99 CZ3 TRP A 7 9.380 -16.112 -16.153 1.00 41.22 C ATOM 100 CH2 TRP A 7 9.670 -15.947 -17.514 1.00 75.31 C ATOM 0 H TRP A 7 6.873 -12.097 -11.756 1.00 11.32 H new ATOM 0 HA TRP A 7 9.159 -12.538 -13.562 1.00 4.43 H new ATOM 0 HB2 TRP A 7 6.655 -13.330 -13.912 1.00 72.42 H new ATOM 0 HB3 TRP A 7 6.394 -11.665 -14.393 1.00 72.42 H new ATOM 0 HD1 TRP A 7 7.136 -10.987 -16.824 1.00 11.44 H new ATOM 0 HE1 TRP A 7 8.252 -12.215 -18.810 1.00 40.53 H new ATOM 0 HE3 TRP A 7 8.505 -15.267 -14.388 1.00 11.41 H new ATOM 0 HZ2 TRP A 7 9.532 -14.684 -19.232 1.00 5.53 H new ATOM 0 HZ3 TRP A 7 9.676 -17.023 -15.655 1.00 41.22 H new ATOM 0 HH2 TRP A 7 10.187 -16.733 -18.045 1.00 75.31 H new ATOM 111 N LYS A 8 8.118 -9.718 -12.521 1.00 51.55 N ATOM 112 CA LYS A 8 8.316 -8.273 -12.562 1.00 1.40 C ATOM 113 C LYS A 8 9.780 -7.933 -12.823 1.00 33.31 C ATOM 114 O LYS A 8 10.644 -8.810 -12.808 1.00 34.14 O ATOM 115 CB LYS A 8 7.860 -7.637 -11.248 1.00 74.13 C ATOM 116 CG LYS A 8 6.351 -7.536 -11.113 1.00 62.42 C ATOM 117 CD LYS A 8 5.760 -6.596 -12.150 1.00 54.31 C ATOM 118 CE LYS A 8 4.263 -6.413 -11.950 1.00 64.31 C ATOM 119 NZ LYS A 8 3.474 -7.409 -12.726 1.00 3.33 N1+ ATOM 0 H LYS A 8 7.664 -10.057 -11.673 1.00 51.55 H new ATOM 0 HA LYS A 8 7.716 -7.872 -13.379 1.00 1.40 H new ATOM 0 HB2 LYS A 8 8.253 -8.221 -10.416 1.00 74.13 H new ATOM 0 HB3 LYS A 8 8.291 -6.639 -11.168 1.00 74.13 H new ATOM 0 HG2 LYS A 8 5.908 -8.526 -11.223 1.00 62.42 H new ATOM 0 HG3 LYS A 8 6.097 -7.183 -10.114 1.00 62.42 H new ATOM 0 HD2 LYS A 8 6.257 -5.628 -12.090 1.00 54.31 H new ATOM 0 HD3 LYS A 8 5.949 -6.990 -13.149 1.00 54.31 H new ATOM 0 HE2 LYS A 8 4.024 -6.506 -10.891 1.00 64.31 H new ATOM 0 HE3 LYS A 8 3.976 -5.406 -12.254 1.00 64.31 H new ATOM 0 HZ1 LYS A 8 2.459 -7.251 -12.563 1.00 3.33 H new ATOM 0 HZ2 LYS A 8 3.682 -7.304 -13.739 1.00 3.33 H new ATOM 0 HZ3 LYS A 8 3.729 -8.369 -12.418 1.00 3.33 H new ATOM 133 N SER A 9 10.052 -6.653 -13.062 1.00 2.23 N ATOM 134 CA SER A 9 11.411 -6.198 -13.327 1.00 24.10 C ATOM 135 C SER A 9 11.952 -5.388 -12.153 1.00 72.15 C ATOM 136 O SER A 9 11.452 -4.304 -11.849 1.00 12.02 O ATOM 137 CB SER A 9 11.448 -5.355 -14.604 1.00 32.24 C ATOM 138 OG SER A 9 10.494 -4.310 -14.552 1.00 32.31 O ATOM 0 H SER A 9 9.349 -5.914 -13.077 1.00 2.23 H new ATOM 0 HA SER A 9 12.043 -7.076 -13.461 1.00 24.10 H new ATOM 0 HB2 SER A 9 12.445 -4.935 -14.738 1.00 32.24 H new ATOM 0 HB3 SER A 9 11.251 -5.989 -15.468 1.00 32.24 H new ATOM 0 HG SER A 9 10.501 -3.905 -13.660 1.00 32.31 H new ATOM 144 N CYS A 10 12.978 -5.920 -11.498 1.00 31.30 N ATOM 145 CA CYS A 10 13.588 -5.248 -10.357 1.00 0.04 C ATOM 146 C CYS A 10 15.078 -5.021 -10.593 1.00 71.24 C ATOM 147 O CYS A 10 15.698 -5.692 -11.418 1.00 63.40 O ATOM 148 CB CYS A 10 13.382 -6.071 -9.084 1.00 71.41 C ATOM 149 SG CYS A 10 14.386 -7.590 -9.010 1.00 71.51 S ATOM 0 H CYS A 10 13.405 -6.815 -11.738 1.00 31.30 H new ATOM 0 HA CYS A 10 13.105 -4.278 -10.237 1.00 0.04 H new ATOM 0 HB2 CYS A 10 13.618 -5.450 -8.220 1.00 71.41 H new ATOM 0 HB3 CYS A 10 12.329 -6.340 -9.005 1.00 71.41 H new ATOM 154 N VAL A 11 15.650 -4.068 -9.862 1.00 11.35 N ATOM 155 CA VAL A 11 17.067 -3.753 -9.990 1.00 21.30 C ATOM 156 C VAL A 11 17.861 -4.304 -8.811 1.00 12.42 C ATOM 157 O VAL A 11 17.335 -4.511 -7.719 1.00 64.05 O ATOM 158 CB VAL A 11 17.297 -2.232 -10.084 1.00 2.54 C ATOM 159 CG1 VAL A 11 16.854 -1.708 -11.441 1.00 1.43 C ATOM 160 CG2 VAL A 11 16.566 -1.513 -8.961 1.00 21.03 C ATOM 0 H VAL A 11 15.153 -3.501 -9.175 1.00 11.35 H new ATOM 0 HA VAL A 11 17.415 -4.223 -10.910 1.00 21.30 H new ATOM 0 HB VAL A 11 18.364 -2.036 -9.976 1.00 2.54 H new ATOM 0 HG11 VAL A 11 17.024 -0.632 -11.489 1.00 1.43 H new ATOM 0 HG12 VAL A 11 17.427 -2.201 -12.226 1.00 1.43 H new ATOM 0 HG13 VAL A 11 15.793 -1.914 -11.582 1.00 1.43 H new ATOM 0 HG21 VAL A 11 16.739 -0.440 -9.043 1.00 21.03 H new ATOM 0 HG22 VAL A 11 15.497 -1.715 -9.035 1.00 21.03 H new ATOM 0 HG23 VAL A 11 16.937 -1.868 -8.000 1.00 21.03 H new ATOM 170 N PRO A 12 19.162 -4.547 -9.036 1.00 12.43 N ATOM 171 CA PRO A 12 20.057 -5.077 -8.004 1.00 32.44 C ATOM 172 C PRO A 12 20.337 -4.061 -6.902 1.00 74.42 C ATOM 173 O PRO A 12 20.728 -2.927 -7.175 1.00 32.53 O ATOM 174 CB PRO A 12 21.340 -5.395 -8.777 1.00 14.43 C ATOM 175 CG PRO A 12 21.308 -4.483 -9.955 1.00 24.34 C ATOM 176 CD PRO A 12 19.856 -4.323 -10.315 1.00 32.14 C ATOM 0 HA PRO A 12 19.626 -5.938 -7.493 1.00 32.44 H new ATOM 0 HB2 PRO A 12 22.225 -5.220 -8.165 1.00 14.43 H new ATOM 0 HB3 PRO A 12 21.368 -6.440 -9.086 1.00 14.43 H new ATOM 0 HG2 PRO A 12 21.759 -3.520 -9.716 1.00 24.34 H new ATOM 0 HG3 PRO A 12 21.873 -4.901 -10.788 1.00 24.34 H new ATOM 0 HD2 PRO A 12 19.648 -3.331 -10.717 1.00 32.14 H new ATOM 0 HD3 PRO A 12 19.547 -5.044 -11.072 1.00 32.14 H new ATOM 184 N GLY A 13 20.136 -4.476 -5.655 1.00 4.33 N ATOM 185 CA GLY A 13 20.371 -3.590 -4.531 1.00 32.52 C ATOM 186 C GLY A 13 19.085 -3.054 -3.935 1.00 64.23 C ATOM 187 O GLY A 13 19.065 -2.594 -2.793 1.00 14.33 O ATOM 0 H GLY A 13 19.814 -5.411 -5.404 1.00 4.33 H new ATOM 0 HA2 GLY A 13 20.929 -4.124 -3.762 1.00 32.52 H new ATOM 0 HA3 GLY A 13 20.993 -2.755 -4.854 1.00 32.52 H new ATOM 191 N LYS A 14 18.007 -3.111 -4.709 1.00 0.04 N ATOM 192 CA LYS A 14 16.709 -2.627 -4.252 1.00 54.41 C ATOM 193 C LYS A 14 15.904 -3.754 -3.612 1.00 4.00 C ATOM 194 O LYS A 14 15.411 -3.618 -2.493 1.00 23.42 O ATOM 195 CB LYS A 14 15.926 -2.026 -5.421 1.00 54.03 C ATOM 196 CG LYS A 14 16.360 -0.618 -5.785 1.00 64.22 C ATOM 197 CD LYS A 14 15.235 0.159 -6.449 1.00 44.52 C ATOM 198 CE LYS A 14 15.723 1.496 -6.985 1.00 40.23 C ATOM 199 NZ LYS A 14 15.848 2.515 -5.907 1.00 23.42 N1+ ATOM 0 H LYS A 14 18.006 -3.488 -5.657 1.00 0.04 H new ATOM 0 HA LYS A 14 16.880 -1.855 -3.502 1.00 54.41 H new ATOM 0 HB2 LYS A 14 16.041 -2.669 -6.293 1.00 54.03 H new ATOM 0 HB3 LYS A 14 14.865 -2.017 -5.170 1.00 54.03 H new ATOM 0 HG2 LYS A 14 16.685 -0.093 -4.887 1.00 64.22 H new ATOM 0 HG3 LYS A 14 17.218 -0.663 -6.456 1.00 64.22 H new ATOM 0 HD2 LYS A 14 14.816 -0.430 -7.265 1.00 44.52 H new ATOM 0 HD3 LYS A 14 14.432 0.325 -5.731 1.00 44.52 H new ATOM 0 HE2 LYS A 14 16.689 1.361 -7.471 1.00 40.23 H new ATOM 0 HE3 LYS A 14 15.031 1.856 -7.746 1.00 40.23 H new ATOM 0 HZ1 LYS A 14 16.183 3.412 -6.314 1.00 23.42 H new ATOM 0 HZ2 LYS A 14 14.921 2.663 -5.460 1.00 23.42 H new ATOM 0 HZ3 LYS A 14 16.528 2.183 -5.193 1.00 23.42 H new ATOM 213 N ASN A 15 15.777 -4.866 -4.329 1.00 73.20 N ATOM 214 CA ASN A 15 15.032 -6.016 -3.830 1.00 14.34 C ATOM 215 C ASN A 15 13.567 -5.657 -3.599 1.00 64.14 C ATOM 216 O ASN A 15 13.014 -5.922 -2.532 1.00 51.44 O ATOM 217 CB ASN A 15 15.655 -6.528 -2.528 1.00 54.45 C ATOM 218 CG ASN A 15 15.254 -7.957 -2.219 1.00 41.41 C ATOM 219 OD1 ASN A 15 14.669 -8.237 -1.173 1.00 64.21 O ATOM 220 ND2 ASN A 15 15.571 -8.870 -3.130 1.00 32.42 N ATOM 0 H ASN A 15 16.180 -4.995 -5.257 1.00 73.20 H new ATOM 0 HA ASN A 15 15.080 -6.803 -4.583 1.00 14.34 H new ATOM 0 HB2 ASN A 15 16.741 -6.465 -2.599 1.00 54.45 H new ATOM 0 HB3 ASN A 15 15.351 -5.882 -1.704 1.00 54.45 H new ATOM 0 HD21 ASN A 15 15.329 -9.849 -2.977 1.00 32.42 H new ATOM 0 HD22 ASN A 15 16.056 -8.592 -3.983 1.00 32.42 H new ATOM 227 N GLU A 16 12.945 -5.054 -4.607 1.00 32.33 N ATOM 228 CA GLU A 16 11.544 -4.659 -4.513 1.00 13.41 C ATOM 229 C GLU A 16 10.646 -5.879 -4.336 1.00 64.50 C ATOM 230 O GLU A 16 9.551 -5.782 -3.781 1.00 74.33 O ATOM 231 CB GLU A 16 11.126 -3.880 -5.762 1.00 71.25 C ATOM 232 CG GLU A 16 12.123 -2.810 -6.175 1.00 14.43 C ATOM 233 CD GLU A 16 11.496 -1.730 -7.034 1.00 4.31 C ATOM 234 OE1 GLU A 16 10.467 -1.161 -6.616 1.00 72.13 O1- ATOM 235 OE2 GLU A 16 12.037 -1.453 -8.126 1.00 53.21 O ATOM 0 H GLU A 16 13.388 -4.828 -5.497 1.00 32.33 H new ATOM 0 HA GLU A 16 11.431 -4.017 -3.639 1.00 13.41 H new ATOM 0 HB2 GLU A 16 10.993 -4.579 -6.588 1.00 71.25 H new ATOM 0 HB3 GLU A 16 10.158 -3.412 -5.581 1.00 71.25 H new ATOM 0 HG2 GLU A 16 12.553 -2.355 -5.283 1.00 14.43 H new ATOM 0 HG3 GLU A 16 12.943 -3.275 -6.723 1.00 14.43 H new ATOM 242 N CYS A 17 11.116 -7.027 -4.812 1.00 11.40 N ATOM 243 CA CYS A 17 10.357 -8.267 -4.709 1.00 22.31 C ATOM 244 C CYS A 17 9.909 -8.512 -3.271 1.00 74.41 C ATOM 245 O CYS A 17 10.557 -8.068 -2.322 1.00 72.35 O ATOM 246 CB CYS A 17 11.198 -9.447 -5.200 1.00 4.44 C ATOM 247 SG CYS A 17 11.799 -9.269 -6.911 1.00 32.42 S ATOM 0 H CYS A 17 12.020 -7.124 -5.274 1.00 11.40 H new ATOM 0 HA CYS A 17 9.471 -8.175 -5.337 1.00 22.31 H new ATOM 0 HB2 CYS A 17 12.054 -9.571 -4.536 1.00 4.44 H new ATOM 0 HB3 CYS A 17 10.604 -10.358 -5.128 1.00 4.44 H new ATOM 252 N CYS A 18 8.797 -9.222 -3.117 1.00 55.14 N ATOM 253 CA CYS A 18 8.260 -9.527 -1.795 1.00 24.25 C ATOM 254 C CYS A 18 9.235 -10.389 -0.998 1.00 71.35 C ATOM 255 O CYS A 18 10.130 -11.018 -1.564 1.00 42.53 O ATOM 256 CB CYS A 18 6.914 -10.243 -1.921 1.00 74.34 C ATOM 257 SG CYS A 18 5.681 -9.340 -2.912 1.00 70.23 S ATOM 0 H CYS A 18 8.249 -9.598 -3.891 1.00 55.14 H new ATOM 0 HA CYS A 18 8.115 -8.587 -1.263 1.00 24.25 H new ATOM 0 HB2 CYS A 18 7.077 -11.223 -2.369 1.00 74.34 H new ATOM 0 HB3 CYS A 18 6.509 -10.411 -0.923 1.00 74.34 H new ATOM 262 N SER A 19 9.055 -10.414 0.319 1.00 22.25 N ATOM 263 CA SER A 19 9.920 -11.195 1.194 1.00 43.45 C ATOM 264 C SER A 19 10.004 -12.644 0.723 1.00 70.33 C ATOM 265 O SER A 19 8.989 -13.268 0.414 1.00 11.24 O ATOM 266 CB SER A 19 9.404 -11.144 2.633 1.00 33.12 C ATOM 267 OG SER A 19 10.422 -11.504 3.553 1.00 24.23 O ATOM 0 H SER A 19 8.317 -9.902 0.803 1.00 22.25 H new ATOM 0 HA SER A 19 10.919 -10.761 1.158 1.00 43.45 H new ATOM 0 HB2 SER A 19 9.044 -10.140 2.858 1.00 33.12 H new ATOM 0 HB3 SER A 19 8.555 -11.819 2.742 1.00 33.12 H new ATOM 0 HG SER A 19 10.068 -11.462 4.466 1.00 24.23 H new ATOM 273 N GLY A 20 11.222 -13.173 0.670 1.00 54.32 N ATOM 274 CA GLY A 20 11.418 -14.544 0.236 1.00 63.31 C ATOM 275 C GLY A 20 11.882 -14.635 -1.205 1.00 44.33 C ATOM 276 O GLY A 20 12.402 -15.666 -1.632 1.00 41.02 O ATOM 0 H GLY A 20 12.077 -12.677 0.920 1.00 54.32 H new ATOM 0 HA2 GLY A 20 12.152 -15.025 0.882 1.00 63.31 H new ATOM 0 HA3 GLY A 20 10.484 -15.095 0.349 1.00 63.31 H new ATOM 280 N TYR A 21 11.692 -13.556 -1.955 1.00 22.43 N ATOM 281 CA TYR A 21 12.092 -13.520 -3.356 1.00 33.31 C ATOM 282 C TYR A 21 13.470 -12.885 -3.514 1.00 73.24 C ATOM 283 O TYR A 21 13.860 -12.018 -2.733 1.00 45.31 O ATOM 284 CB TYR A 21 11.064 -12.745 -4.182 1.00 52.44 C ATOM 285 CG TYR A 21 9.727 -13.443 -4.295 1.00 32.41 C ATOM 286 CD1 TYR A 21 8.894 -13.575 -3.190 1.00 11.45 C ATOM 287 CD2 TYR A 21 9.297 -13.969 -5.507 1.00 74.25 C ATOM 288 CE1 TYR A 21 7.673 -14.213 -3.290 1.00 3.33 C ATOM 289 CE2 TYR A 21 8.076 -14.606 -5.616 1.00 54.23 C ATOM 290 CZ TYR A 21 7.268 -14.727 -4.503 1.00 12.33 C ATOM 291 OH TYR A 21 6.051 -15.361 -4.607 1.00 53.32 O ATOM 0 H TYR A 21 11.263 -12.695 -1.616 1.00 22.43 H new ATOM 0 HA TYR A 21 12.141 -14.547 -3.719 1.00 33.31 H new ATOM 0 HB2 TYR A 21 10.915 -11.763 -3.733 1.00 52.44 H new ATOM 0 HB3 TYR A 21 11.464 -12.580 -5.182 1.00 52.44 H new ATOM 0 HD1 TYR A 21 9.207 -13.172 -2.238 1.00 11.45 H new ATOM 0 HD2 TYR A 21 9.928 -13.878 -6.379 1.00 74.25 H new ATOM 0 HE1 TYR A 21 7.038 -14.309 -2.421 1.00 3.33 H new ATOM 0 HE2 TYR A 21 7.755 -15.007 -6.566 1.00 54.23 H new ATOM 0 HH TYR A 21 5.917 -15.663 -5.530 1.00 53.32 H new ATOM 301 N ALA A 22 14.204 -13.325 -4.531 1.00 51.33 N ATOM 302 CA ALA A 22 15.538 -12.798 -4.794 1.00 3.12 C ATOM 303 C ALA A 22 15.554 -11.952 -6.063 1.00 1.44 C ATOM 304 O ALA A 22 14.615 -11.992 -6.860 1.00 35.51 O ATOM 305 CB ALA A 22 16.542 -13.936 -4.904 1.00 41.01 C ATOM 0 H ALA A 22 13.898 -14.045 -5.186 1.00 51.33 H new ATOM 0 HA ALA A 22 15.820 -12.158 -3.958 1.00 3.12 H new ATOM 0 HB1 ALA A 22 17.534 -13.529 -5.100 1.00 41.01 H new ATOM 0 HB2 ALA A 22 16.559 -14.498 -3.970 1.00 41.01 H new ATOM 0 HB3 ALA A 22 16.254 -14.598 -5.720 1.00 41.01 H new ATOM 311 N CYS A 23 16.624 -11.187 -6.244 1.00 21.01 N ATOM 312 CA CYS A 23 16.763 -10.330 -7.416 1.00 23.22 C ATOM 313 C CYS A 23 17.947 -10.766 -8.272 1.00 64.21 C ATOM 314 O CYS A 23 19.023 -11.069 -7.756 1.00 75.42 O ATOM 315 CB CYS A 23 16.939 -8.871 -6.988 1.00 63.31 C ATOM 316 SG CYS A 23 15.443 -7.851 -7.191 1.00 53.32 S ATOM 0 H CYS A 23 17.409 -11.142 -5.594 1.00 21.01 H new ATOM 0 HA CYS A 23 15.854 -10.421 -8.011 1.00 23.22 H new ATOM 0 HB2 CYS A 23 17.245 -8.845 -5.942 1.00 63.31 H new ATOM 0 HB3 CYS A 23 17.749 -8.429 -7.568 1.00 63.31 H new ATOM 321 N SER A 24 17.742 -10.795 -9.586 1.00 62.22 N ATOM 322 CA SER A 24 18.791 -11.198 -10.514 1.00 42.32 C ATOM 323 C SER A 24 19.089 -10.083 -11.513 1.00 4.53 C ATOM 324 O SER A 24 18.274 -9.781 -12.384 1.00 35.33 O ATOM 325 CB SER A 24 18.381 -12.469 -11.260 1.00 23.52 C ATOM 326 OG SER A 24 19.437 -13.415 -11.275 1.00 60.13 O ATOM 0 H SER A 24 16.859 -10.544 -10.031 1.00 62.22 H new ATOM 0 HA SER A 24 19.694 -11.399 -9.938 1.00 42.32 H new ATOM 0 HB2 SER A 24 17.503 -12.907 -10.784 1.00 23.52 H new ATOM 0 HB3 SER A 24 18.098 -12.219 -12.282 1.00 23.52 H new ATOM 0 HG SER A 24 19.149 -14.219 -11.756 1.00 60.13 H new ATOM 332 N SER A 25 20.263 -9.476 -11.379 1.00 53.21 N ATOM 333 CA SER A 25 20.670 -8.393 -12.267 1.00 62.51 C ATOM 334 C SER A 25 20.980 -8.921 -13.663 1.00 52.10 C ATOM 335 O SER A 25 20.943 -8.178 -14.644 1.00 0.11 O ATOM 336 CB SER A 25 21.893 -7.671 -11.699 1.00 3.21 C ATOM 337 OG SER A 25 23.088 -8.356 -12.029 1.00 24.10 O ATOM 0 H SER A 25 20.950 -9.715 -10.664 1.00 53.21 H new ATOM 0 HA SER A 25 19.842 -7.688 -12.341 1.00 62.51 H new ATOM 0 HB2 SER A 25 21.933 -6.654 -12.090 1.00 3.21 H new ATOM 0 HB3 SER A 25 21.802 -7.593 -10.616 1.00 3.21 H new ATOM 0 HG SER A 25 23.855 -7.874 -11.656 1.00 24.10 H new ATOM 343 N ARG A 26 21.286 -10.212 -13.746 1.00 62.31 N ATOM 344 CA ARG A 26 21.605 -10.842 -15.022 1.00 24.03 C ATOM 345 C ARG A 26 20.520 -10.554 -16.056 1.00 71.54 C ATOM 346 O ARG A 26 20.815 -10.172 -17.188 1.00 33.12 O ATOM 347 CB ARG A 26 21.767 -12.352 -14.843 1.00 32.33 C ATOM 348 CG ARG A 26 22.644 -13.001 -15.902 1.00 34.31 C ATOM 349 CD ARG A 26 21.847 -13.340 -17.152 1.00 74.15 C ATOM 350 NE ARG A 26 22.660 -14.034 -18.147 1.00 34.12 N ATOM 351 CZ ARG A 26 23.555 -13.427 -18.919 1.00 62.23 C ATOM 352 NH1 ARG A 26 23.752 -12.120 -18.810 1.00 4.20 N1+ ATOM 353 NH2 ARG A 26 24.256 -14.127 -19.801 1.00 25.53 N ATOM 0 H ARG A 26 21.320 -10.842 -12.945 1.00 62.31 H new ATOM 0 HA ARG A 26 22.545 -10.423 -15.381 1.00 24.03 H new ATOM 0 HB2 ARG A 26 22.194 -12.549 -13.860 1.00 32.33 H new ATOM 0 HB3 ARG A 26 20.782 -12.819 -14.863 1.00 32.33 H new ATOM 0 HG2 ARG A 26 23.462 -12.328 -16.161 1.00 34.31 H new ATOM 0 HG3 ARG A 26 23.093 -13.908 -15.498 1.00 34.31 H new ATOM 0 HD2 ARG A 26 20.995 -13.964 -16.881 1.00 74.15 H new ATOM 0 HD3 ARG A 26 21.446 -12.424 -17.586 1.00 74.15 H new ATOM 0 HE ARG A 26 22.534 -15.040 -18.255 1.00 34.12 H new ATOM 0 HH11 ARG A 26 23.216 -11.578 -18.132 1.00 4.20 H new ATOM 0 HH12 ARG A 26 24.440 -11.657 -19.404 1.00 4.20 H new ATOM 0 HH21 ARG A 26 24.108 -15.133 -19.887 1.00 25.53 H new ATOM 0 HH22 ARG A 26 24.943 -13.660 -20.393 1.00 25.53 H new ATOM 367 N ASP A 27 19.267 -10.743 -15.657 1.00 53.53 N ATOM 368 CA ASP A 27 18.138 -10.504 -16.550 1.00 64.32 C ATOM 369 C ASP A 27 17.271 -9.360 -16.034 1.00 51.53 C ATOM 370 O ASP A 27 16.294 -8.969 -16.673 1.00 70.30 O ATOM 371 CB ASP A 27 17.297 -11.773 -16.693 1.00 24.43 C ATOM 372 CG ASP A 27 17.425 -12.400 -18.067 1.00 71.42 C ATOM 373 OD1 ASP A 27 16.867 -11.836 -19.031 1.00 34.43 O1- ATOM 374 OD2 ASP A 27 18.084 -13.456 -18.179 1.00 61.54 O ATOM 0 H ASP A 27 19.007 -11.060 -14.723 1.00 53.53 H new ATOM 0 HA ASP A 27 18.531 -10.226 -17.528 1.00 64.32 H new ATOM 0 HB2 ASP A 27 17.604 -12.496 -15.937 1.00 24.43 H new ATOM 0 HB3 ASP A 27 16.251 -11.536 -16.501 1.00 24.43 H new ATOM 379 N LYS A 28 17.634 -8.827 -14.872 1.00 24.22 N ATOM 380 CA LYS A 28 16.890 -7.727 -14.269 1.00 42.13 C ATOM 381 C LYS A 28 15.439 -8.123 -14.022 1.00 72.43 C ATOM 382 O LYS A 28 14.515 -7.430 -14.451 1.00 12.12 O ATOM 383 CB LYS A 28 16.947 -6.491 -15.170 1.00 42.20 C ATOM 384 CG LYS A 28 18.222 -5.682 -15.011 1.00 61.11 C ATOM 385 CD LYS A 28 18.163 -4.387 -15.805 1.00 63.24 C ATOM 386 CE LYS A 28 17.310 -3.341 -15.105 1.00 34.52 C ATOM 387 NZ LYS A 28 16.695 -2.390 -16.070 1.00 25.10 N1+ ATOM 0 H LYS A 28 18.439 -9.139 -14.329 1.00 24.22 H new ATOM 0 HA LYS A 28 17.352 -7.491 -13.310 1.00 42.13 H new ATOM 0 HB2 LYS A 28 16.853 -6.805 -16.210 1.00 42.20 H new ATOM 0 HB3 LYS A 28 16.091 -5.852 -14.951 1.00 42.20 H new ATOM 0 HG2 LYS A 28 18.382 -5.457 -13.957 1.00 61.11 H new ATOM 0 HG3 LYS A 28 19.074 -6.275 -15.343 1.00 61.11 H new ATOM 0 HD2 LYS A 28 19.172 -4.000 -15.946 1.00 63.24 H new ATOM 0 HD3 LYS A 28 17.756 -4.585 -16.797 1.00 63.24 H new ATOM 0 HE2 LYS A 28 16.525 -3.836 -14.533 1.00 34.52 H new ATOM 0 HE3 LYS A 28 17.924 -2.789 -14.393 1.00 34.52 H new ATOM 0 HZ1 LYS A 28 16.122 -1.693 -15.553 1.00 25.10 H new ATOM 0 HZ2 LYS A 28 17.444 -1.899 -16.598 1.00 25.10 H new ATOM 0 HZ3 LYS A 28 16.089 -2.913 -16.734 1.00 25.10 H new ATOM 401 N TRP A 29 15.244 -9.239 -13.328 1.00 31.41 N ATOM 402 CA TRP A 29 13.904 -9.724 -13.023 1.00 42.43 C ATOM 403 C TRP A 29 13.816 -10.212 -11.581 1.00 31.51 C ATOM 404 O TRP A 29 14.769 -10.082 -10.812 1.00 3.13 O ATOM 405 CB TRP A 29 13.518 -10.853 -13.980 1.00 32.13 C ATOM 406 CG TRP A 29 14.533 -11.956 -14.038 1.00 73.24 C ATOM 407 CD1 TRP A 29 15.520 -12.209 -13.130 1.00 40.14 C ATOM 408 CD2 TRP A 29 14.661 -12.950 -15.060 1.00 44.13 C ATOM 409 NE1 TRP A 29 16.253 -13.301 -13.524 1.00 31.43 N ATOM 410 CE2 TRP A 29 15.746 -13.775 -14.706 1.00 72.32 C ATOM 411 CE3 TRP A 29 13.962 -13.225 -16.239 1.00 30.31 C ATOM 412 CZ2 TRP A 29 16.147 -14.853 -15.489 1.00 63.02 C ATOM 413 CZ3 TRP A 29 14.363 -14.295 -17.016 1.00 21.22 C ATOM 414 CH2 TRP A 29 15.446 -15.099 -16.638 1.00 64.04 C ATOM 0 H TRP A 29 15.997 -9.824 -12.966 1.00 31.41 H new ATOM 0 HA TRP A 29 13.208 -8.895 -13.149 1.00 42.43 H new ATOM 0 HB2 TRP A 29 12.558 -11.268 -13.673 1.00 32.13 H new ATOM 0 HB3 TRP A 29 13.382 -10.441 -14.980 1.00 32.13 H new ATOM 0 HD1 TRP A 29 15.698 -11.634 -12.233 1.00 40.14 H new ATOM 0 HE1 TRP A 29 17.046 -13.696 -13.019 1.00 31.43 H new ATOM 0 HE3 TRP A 29 13.124 -12.612 -16.537 1.00 30.31 H new ATOM 0 HZ2 TRP A 29 16.982 -15.474 -15.200 1.00 63.02 H new ATOM 0 HZ3 TRP A 29 13.832 -14.515 -17.930 1.00 21.22 H new ATOM 0 HH2 TRP A 29 15.733 -15.929 -17.266 1.00 64.04 H new ATOM 425 N CYS A 30 12.668 -10.774 -11.220 1.00 44.54 N ATOM 426 CA CYS A 30 12.455 -11.282 -9.869 1.00 1.53 C ATOM 427 C CYS A 30 12.733 -12.780 -9.801 1.00 31.32 C ATOM 428 O CYS A 30 12.776 -13.463 -10.825 1.00 74.25 O ATOM 429 CB CYS A 30 11.023 -10.996 -9.413 1.00 64.32 C ATOM 430 SG CYS A 30 10.792 -9.346 -8.676 1.00 55.01 S ATOM 0 H CYS A 30 11.870 -10.890 -11.844 1.00 44.54 H new ATOM 0 HA CYS A 30 13.150 -10.771 -9.202 1.00 1.53 H new ATOM 0 HB2 CYS A 30 10.354 -11.097 -10.268 1.00 64.32 H new ATOM 0 HB3 CYS A 30 10.727 -11.752 -8.685 1.00 64.32 H new ATOM 435 N LYS A 31 12.920 -13.288 -8.587 1.00 1.34 N ATOM 436 CA LYS A 31 13.192 -14.706 -8.384 1.00 53.31 C ATOM 437 C LYS A 31 12.404 -15.244 -7.193 1.00 30.41 C ATOM 438 O LYS A 31 12.145 -14.523 -6.230 1.00 2.12 O ATOM 439 CB LYS A 31 14.689 -14.932 -8.162 1.00 64.22 C ATOM 440 CG LYS A 31 15.567 -14.239 -9.190 1.00 62.34 C ATOM 441 CD LYS A 31 15.435 -14.882 -10.561 1.00 21.52 C ATOM 442 CE LYS A 31 16.633 -15.762 -10.881 1.00 41.12 C ATOM 443 NZ LYS A 31 16.371 -17.194 -10.564 1.00 11.43 N1+ ATOM 0 H LYS A 31 12.888 -12.738 -7.729 1.00 1.34 H new ATOM 0 HA LYS A 31 12.879 -15.244 -9.279 1.00 53.31 H new ATOM 0 HB2 LYS A 31 14.958 -14.576 -7.167 1.00 64.22 H new ATOM 0 HB3 LYS A 31 14.894 -16.002 -8.184 1.00 64.22 H new ATOM 0 HG2 LYS A 31 15.293 -13.186 -9.253 1.00 62.34 H new ATOM 0 HG3 LYS A 31 16.607 -14.279 -8.867 1.00 62.34 H new ATOM 0 HD2 LYS A 31 14.524 -15.479 -10.598 1.00 21.52 H new ATOM 0 HD3 LYS A 31 15.339 -14.106 -11.320 1.00 21.52 H new ATOM 0 HE2 LYS A 31 16.884 -15.664 -11.937 1.00 41.12 H new ATOM 0 HE3 LYS A 31 17.498 -15.417 -10.315 1.00 41.12 H new ATOM 0 HZ1 LYS A 31 17.212 -17.760 -10.796 1.00 11.43 H new ATOM 0 HZ2 LYS A 31 16.157 -17.292 -9.551 1.00 11.43 H new ATOM 0 HZ3 LYS A 31 15.561 -17.531 -11.123 1.00 11.43 H new ATOM 457 N VAL A 32 12.027 -16.518 -7.267 1.00 34.04 N ATOM 458 CA VAL A 32 11.272 -17.154 -6.194 1.00 65.25 C ATOM 459 C VAL A 32 11.906 -18.479 -5.786 1.00 2.32 C ATOM 460 O VAL A 32 12.246 -19.304 -6.634 1.00 22.20 O ATOM 461 CB VAL A 32 9.810 -17.404 -6.609 1.00 73.43 C ATOM 462 CG1 VAL A 32 9.745 -18.381 -7.774 1.00 11.10 C ATOM 463 CG2 VAL A 32 9.001 -17.916 -5.428 1.00 60.31 C ATOM 0 H VAL A 32 12.232 -17.128 -8.058 1.00 34.04 H new ATOM 0 HA VAL A 32 11.290 -16.470 -5.346 1.00 65.25 H new ATOM 0 HB VAL A 32 9.376 -16.458 -6.934 1.00 73.43 H new ATOM 0 HG11 VAL A 32 8.704 -18.545 -8.053 1.00 11.10 H new ATOM 0 HG12 VAL A 32 10.288 -17.970 -8.625 1.00 11.10 H new ATOM 0 HG13 VAL A 32 10.196 -19.329 -7.480 1.00 11.10 H new ATOM 0 HG21 VAL A 32 7.971 -18.087 -5.740 1.00 60.31 H new ATOM 0 HG22 VAL A 32 9.432 -18.851 -5.070 1.00 60.31 H new ATOM 0 HG23 VAL A 32 9.020 -17.177 -4.627 1.00 60.31 H new ATOM 473 N LEU A 33 12.063 -18.676 -4.481 1.00 35.50 N ATOM 474 CA LEU A 33 12.657 -19.902 -3.960 1.00 75.13 C ATOM 475 C LEU A 33 11.780 -21.110 -4.276 1.00 13.13 C ATOM 476 O LEU A 33 10.553 -21.008 -4.303 1.00 43.41 O ATOM 477 CB LEU A 33 12.863 -19.788 -2.448 1.00 4.12 C ATOM 478 CG LEU A 33 13.757 -18.641 -1.976 1.00 42.40 C ATOM 479 CD1 LEU A 33 13.376 -18.211 -0.569 1.00 61.02 C ATOM 480 CD2 LEU A 33 15.222 -19.048 -2.033 1.00 62.44 C ATOM 0 H LEU A 33 11.788 -18.003 -3.766 1.00 35.50 H new ATOM 0 HA LEU A 33 13.624 -20.043 -4.443 1.00 75.13 H new ATOM 0 HB2 LEU A 33 11.887 -19.679 -1.976 1.00 4.12 H new ATOM 0 HB3 LEU A 33 13.288 -20.725 -2.088 1.00 4.12 H new ATOM 0 HG LEU A 33 13.610 -17.793 -2.645 1.00 42.40 H new ATOM 0 HD11 LEU A 33 14.023 -17.394 -0.250 1.00 61.02 H new ATOM 0 HD12 LEU A 33 12.338 -17.877 -0.559 1.00 61.02 H new ATOM 0 HD13 LEU A 33 13.493 -19.053 0.113 1.00 61.02 H new ATOM 0 HD21 LEU A 33 15.843 -18.219 -1.694 1.00 62.44 H new ATOM 0 HD22 LEU A 33 15.385 -19.912 -1.388 1.00 62.44 H new ATOM 0 HD23 LEU A 33 15.489 -19.305 -3.058 1.00 62.44 H new ATOM 492 N LEU A 34 12.418 -22.250 -4.513 1.00 44.45 N ATOM 493 CA LEU A 34 11.696 -23.479 -4.825 1.00 44.30 C ATOM 494 C LEU A 34 11.937 -24.539 -3.755 1.00 65.04 C ATOM 495 O LEU A 34 12.655 -24.302 -2.782 1.00 62.12 O ATOM 496 CB LEU A 34 12.124 -24.012 -6.192 1.00 14.40 C ATOM 497 CG LEU A 34 13.606 -23.859 -6.538 1.00 53.30 C ATOM 498 CD1 LEU A 34 14.468 -24.618 -5.541 1.00 21.23 C ATOM 499 CD2 LEU A 34 13.876 -24.345 -7.955 1.00 1.13 C ATOM 0 H LEU A 34 13.433 -22.350 -4.495 1.00 44.45 H new ATOM 0 HA LEU A 34 10.631 -23.249 -4.849 1.00 44.30 H new ATOM 0 HB2 LEU A 34 11.867 -25.070 -6.244 1.00 14.40 H new ATOM 0 HB3 LEU A 34 11.538 -23.503 -6.958 1.00 14.40 H new ATOM 0 HG LEU A 34 13.865 -22.802 -6.481 1.00 53.30 H new ATOM 0 HD11 LEU A 34 15.519 -24.498 -5.803 1.00 21.23 H new ATOM 0 HD12 LEU A 34 14.297 -24.225 -4.539 1.00 21.23 H new ATOM 0 HD13 LEU A 34 14.207 -25.676 -5.566 1.00 21.23 H new ATOM 0 HD21 LEU A 34 14.935 -24.229 -8.184 1.00 1.13 H new ATOM 0 HD22 LEU A 34 13.600 -25.396 -8.038 1.00 1.13 H new ATOM 0 HD23 LEU A 34 13.286 -23.759 -8.659 1.00 1.13 H new TER 511 LEU A 34