USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=9 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+ -119:sc= 0.093 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -150:sc= 1.08 (180deg=0.454) USER MOD Single : A 8 LYS NZ :NH3+ 163:sc= -0.0348 (180deg=-0.336) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0512 X(o=-0.051,f=-0.26) 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= 0.0548 USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.111) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.005 0.562 -0.354 1.00 12.11 N ATOM 2 CA ALA A 1 1.809 0.204 -1.753 1.00 52.14 C ATOM 3 C ALA A 1 2.195 -1.251 -2.006 1.00 25.12 C ATOM 4 O ALA A 1 2.815 -1.894 -1.159 1.00 21.21 O ATOM 5 CB ALA A 1 2.614 1.129 -2.653 1.00 2.33 C ATOM 0 H1 ALA A 1 1.095 0.844 0.063 1.00 12.11 H new ATOM 0 H2 ALA A 1 2.384 -0.256 0.164 1.00 12.11 H new ATOM 0 H3 ALA A 1 2.676 1.354 -0.289 1.00 12.11 H new ATOM 0 HA ALA A 1 0.751 0.319 -1.987 1.00 52.14 H new ATOM 0 HB1 ALA A 1 2.458 0.850 -3.695 1.00 2.33 H new ATOM 0 HB2 ALA A 1 2.289 2.158 -2.501 1.00 2.33 H new ATOM 0 HB3 ALA A 1 3.673 1.043 -2.409 1.00 2.33 H new ATOM 13 N GLU A 2 1.824 -1.761 -3.176 1.00 50.00 N ATOM 14 CA GLU A 2 2.131 -3.140 -3.538 1.00 54.11 C ATOM 15 C GLU A 2 3.610 -3.295 -3.883 1.00 62.42 C ATOM 16 O GLU A 2 4.293 -2.320 -4.197 1.00 2.33 O ATOM 17 CB GLU A 2 1.271 -3.582 -4.724 1.00 32.40 C ATOM 18 CG GLU A 2 1.095 -5.088 -4.819 1.00 63.31 C ATOM 19 CD GLU A 2 0.043 -5.490 -5.836 1.00 50.54 C ATOM 20 OE1 GLU A 2 -0.156 -4.737 -6.812 1.00 43.45 O ATOM 21 OE2 GLU A 2 -0.579 -6.557 -5.655 1.00 14.01 O1- ATOM 0 H GLU A 2 1.311 -1.241 -3.888 1.00 50.00 H new ATOM 0 HA GLU A 2 1.907 -3.773 -2.679 1.00 54.11 H new ATOM 0 HB2 GLU A 2 0.290 -3.114 -4.645 1.00 32.40 H new ATOM 0 HB3 GLU A 2 1.724 -3.219 -5.646 1.00 32.40 H new ATOM 0 HG2 GLU A 2 2.048 -5.545 -5.087 1.00 63.31 H new ATOM 0 HG3 GLU A 2 0.818 -5.480 -3.841 1.00 63.31 H new ATOM 28 N CYS A 3 4.099 -4.530 -3.820 1.00 61.14 N ATOM 29 CA CYS A 3 5.496 -4.816 -4.123 1.00 54.52 C ATOM 30 C CYS A 3 5.618 -5.625 -5.412 1.00 4.43 C ATOM 31 O CYS A 3 4.616 -6.025 -6.004 1.00 45.13 O ATOM 32 CB CYS A 3 6.145 -5.577 -2.966 1.00 25.33 C ATOM 33 SG CYS A 3 5.294 -7.127 -2.526 1.00 61.41 S ATOM 0 H CYS A 3 3.548 -5.348 -3.562 1.00 61.14 H new ATOM 0 HA CYS A 3 6.014 -3.867 -4.260 1.00 54.52 H new ATOM 0 HB2 CYS A 3 7.178 -5.804 -3.229 1.00 25.33 H new ATOM 0 HB3 CYS A 3 6.174 -4.929 -2.090 1.00 25.33 H new ATOM 38 N LYS A 4 6.853 -5.861 -5.840 1.00 51.35 N ATOM 39 CA LYS A 4 7.109 -6.623 -7.056 1.00 63.21 C ATOM 40 C LYS A 4 6.603 -8.055 -6.918 1.00 14.51 C ATOM 41 O LYS A 4 6.162 -8.467 -5.846 1.00 75.33 O ATOM 42 CB LYS A 4 8.606 -6.628 -7.373 1.00 74.44 C ATOM 43 CG LYS A 4 8.996 -5.669 -8.485 1.00 52.44 C ATOM 44 CD LYS A 4 8.570 -4.247 -8.169 1.00 1.14 C ATOM 45 CE LYS A 4 9.261 -3.242 -9.079 1.00 12.25 C ATOM 46 NZ LYS A 4 8.777 -1.854 -8.841 1.00 43.31 N1+ ATOM 0 H LYS A 4 7.693 -5.535 -5.362 1.00 51.35 H new ATOM 0 HA LYS A 4 6.572 -6.144 -7.875 1.00 63.21 H new ATOM 0 HB2 LYS A 4 9.161 -6.370 -6.471 1.00 74.44 H new ATOM 0 HB3 LYS A 4 8.906 -7.638 -7.654 1.00 74.44 H new ATOM 0 HG2 LYS A 4 10.075 -5.702 -8.633 1.00 52.44 H new ATOM 0 HG3 LYS A 4 8.536 -5.988 -9.420 1.00 52.44 H new ATOM 0 HD2 LYS A 4 7.489 -4.157 -8.280 1.00 1.14 H new ATOM 0 HD3 LYS A 4 8.804 -4.019 -7.129 1.00 1.14 H new ATOM 0 HE2 LYS A 4 10.338 -3.284 -8.915 1.00 12.25 H new ATOM 0 HE3 LYS A 4 9.086 -3.514 -10.120 1.00 12.25 H new ATOM 0 HZ1 LYS A 4 8.840 -1.308 -9.724 1.00 43.31 H new ATOM 0 HZ2 LYS A 4 7.788 -1.881 -8.521 1.00 43.31 H new ATOM 0 HZ3 LYS A 4 9.365 -1.402 -8.112 1.00 43.31 H new ATOM 60 N GLY A 5 6.670 -8.810 -8.011 1.00 61.21 N ATOM 61 CA GLY A 5 6.217 -10.189 -7.989 1.00 24.52 C ATOM 62 C GLY A 5 7.335 -11.172 -8.272 1.00 12.03 C ATOM 63 O GLY A 5 8.376 -11.145 -7.615 1.00 44.11 O ATOM 0 H GLY A 5 7.030 -8.491 -8.911 1.00 61.21 H new ATOM 0 HA2 GLY A 5 5.782 -10.410 -7.014 1.00 24.52 H new ATOM 0 HA3 GLY A 5 5.427 -10.320 -8.728 1.00 24.52 H new ATOM 67 N PHE A 6 7.120 -12.044 -9.250 1.00 74.41 N ATOM 68 CA PHE A 6 8.117 -13.043 -9.617 1.00 14.12 C ATOM 69 C PHE A 6 8.642 -12.794 -11.028 1.00 20.32 C ATOM 70 O PHE A 6 9.828 -12.984 -11.302 1.00 30.10 O ATOM 71 CB PHE A 6 7.520 -14.449 -9.522 1.00 62.42 C ATOM 72 CG PHE A 6 8.408 -15.517 -10.095 1.00 64.14 C ATOM 73 CD1 PHE A 6 9.736 -15.615 -9.707 1.00 22.52 C ATOM 74 CD2 PHE A 6 7.917 -16.421 -11.022 1.00 43.12 C ATOM 75 CE1 PHE A 6 10.555 -16.596 -10.231 1.00 21.53 C ATOM 76 CE2 PHE A 6 8.732 -17.405 -11.549 1.00 4.40 C ATOM 77 CZ PHE A 6 10.052 -17.492 -11.155 1.00 31.41 C ATOM 0 H PHE A 6 6.264 -12.080 -9.803 1.00 74.41 H new ATOM 0 HA PHE A 6 8.950 -12.963 -8.919 1.00 14.12 H new ATOM 0 HB2 PHE A 6 7.317 -14.679 -8.476 1.00 62.42 H new ATOM 0 HB3 PHE A 6 6.563 -14.465 -10.044 1.00 62.42 H new ATOM 0 HD1 PHE A 6 10.134 -14.916 -8.987 1.00 22.52 H new ATOM 0 HD2 PHE A 6 6.886 -16.356 -11.337 1.00 43.12 H new ATOM 0 HE1 PHE A 6 11.587 -16.663 -9.919 1.00 21.53 H new ATOM 0 HE2 PHE A 6 8.336 -18.106 -12.269 1.00 4.40 H new ATOM 0 HZ PHE A 6 10.690 -18.259 -11.568 1.00 31.41 H new ATOM 87 N TRP A 7 7.752 -12.371 -11.918 1.00 11.32 N ATOM 88 CA TRP A 7 8.126 -12.098 -13.301 1.00 4.43 C ATOM 89 C TRP A 7 8.396 -10.611 -13.508 1.00 5.24 C ATOM 90 O TRP A 7 8.889 -10.200 -14.558 1.00 41.31 O ATOM 91 CB TRP A 7 7.021 -12.565 -14.250 1.00 72.42 C ATOM 92 CG TRP A 7 7.522 -12.905 -15.622 1.00 54.44 C ATOM 93 CD1 TRP A 7 7.225 -12.256 -16.786 1.00 11.44 C ATOM 94 CD2 TRP A 7 8.404 -13.977 -15.971 1.00 32.22 C ATOM 95 NE1 TRP A 7 7.871 -12.859 -17.838 1.00 40.53 N ATOM 96 CE2 TRP A 7 8.601 -13.916 -17.364 1.00 53.24 C ATOM 97 CE3 TRP A 7 9.049 -14.978 -15.242 1.00 11.41 C ATOM 98 CZ2 TRP A 7 9.414 -14.823 -18.041 1.00 5.53 C ATOM 99 CZ3 TRP A 7 9.856 -15.877 -15.915 1.00 41.22 C ATOM 100 CH2 TRP A 7 10.034 -15.793 -17.301 1.00 75.31 C ATOM 0 H TRP A 7 6.767 -12.210 -11.707 1.00 11.32 H new ATOM 0 HA TRP A 7 9.041 -12.648 -13.520 1.00 4.43 H new ATOM 0 HB2 TRP A 7 6.530 -13.440 -13.823 1.00 72.42 H new ATOM 0 HB3 TRP A 7 6.266 -11.783 -14.330 1.00 72.42 H new ATOM 0 HD1 TRP A 7 6.578 -11.395 -16.868 1.00 11.44 H new ATOM 0 HE1 TRP A 7 7.816 -12.567 -18.814 1.00 40.53 H new ATOM 0 HE3 TRP A 7 8.920 -15.049 -14.172 1.00 11.41 H new ATOM 0 HZ2 TRP A 7 9.550 -14.763 -19.111 1.00 5.53 H new ATOM 0 HZ3 TRP A 7 10.358 -16.657 -15.362 1.00 41.22 H new ATOM 0 HH2 TRP A 7 10.674 -16.508 -17.796 1.00 75.31 H new ATOM 111 N LYS A 8 8.070 -9.809 -12.500 1.00 51.55 N ATOM 112 CA LYS A 8 8.278 -8.368 -12.571 1.00 1.40 C ATOM 113 C LYS A 8 9.749 -8.042 -12.815 1.00 33.31 C ATOM 114 O LYS A 8 10.607 -8.922 -12.757 1.00 34.14 O ATOM 115 CB LYS A 8 7.804 -7.699 -11.278 1.00 74.13 C ATOM 116 CG LYS A 8 6.293 -7.635 -11.145 1.00 62.42 C ATOM 117 CD LYS A 8 5.671 -6.797 -12.250 1.00 54.31 C ATOM 118 CE LYS A 8 4.180 -6.599 -12.027 1.00 64.31 C ATOM 119 NZ LYS A 8 3.902 -5.829 -10.783 1.00 3.33 N1+ ATOM 0 H LYS A 8 7.660 -10.133 -11.624 1.00 51.55 H new ATOM 0 HA LYS A 8 7.695 -7.983 -13.407 1.00 1.40 H new ATOM 0 HB2 LYS A 8 8.213 -8.243 -10.426 1.00 74.13 H new ATOM 0 HB3 LYS A 8 8.207 -6.687 -11.233 1.00 74.13 H new ATOM 0 HG2 LYS A 8 5.881 -8.644 -11.176 1.00 62.42 H new ATOM 0 HG3 LYS A 8 6.030 -7.213 -10.175 1.00 62.42 H new ATOM 0 HD2 LYS A 8 6.165 -5.827 -12.294 1.00 54.31 H new ATOM 0 HD3 LYS A 8 5.835 -7.282 -13.212 1.00 54.31 H new ATOM 0 HE2 LYS A 8 3.752 -6.075 -12.882 1.00 64.31 H new ATOM 0 HE3 LYS A 8 3.689 -7.571 -11.970 1.00 64.31 H new ATOM 0 HZ1 LYS A 8 2.927 -5.468 -10.809 1.00 3.33 H new ATOM 0 HZ2 LYS A 8 4.020 -6.450 -9.957 1.00 3.33 H new ATOM 0 HZ3 LYS A 8 4.565 -5.031 -10.713 1.00 3.33 H new ATOM 133 N SER A 9 10.032 -6.773 -13.084 1.00 2.23 N ATOM 134 CA SER A 9 11.399 -6.332 -13.338 1.00 24.10 C ATOM 135 C SER A 9 11.923 -5.490 -12.178 1.00 72.15 C ATOM 136 O SER A 9 11.392 -4.419 -11.883 1.00 12.02 O ATOM 137 CB SER A 9 11.464 -5.526 -14.638 1.00 32.24 C ATOM 138 OG SER A 9 10.258 -4.815 -14.859 1.00 32.31 O ATOM 0 H SER A 9 9.334 -6.031 -13.132 1.00 2.23 H new ATOM 0 HA SER A 9 12.028 -7.217 -13.435 1.00 24.10 H new ATOM 0 HB2 SER A 9 12.299 -4.827 -14.595 1.00 32.24 H new ATOM 0 HB3 SER A 9 11.653 -6.197 -15.476 1.00 32.24 H new ATOM 0 HG SER A 9 10.326 -4.307 -15.694 1.00 32.31 H new ATOM 144 N CYS A 10 12.969 -5.983 -11.523 1.00 31.30 N ATOM 145 CA CYS A 10 13.566 -5.280 -10.395 1.00 0.04 C ATOM 146 C CYS A 10 15.059 -5.056 -10.623 1.00 71.24 C ATOM 147 O CYS A 10 15.689 -5.756 -11.416 1.00 63.40 O ATOM 148 CB CYS A 10 13.349 -6.069 -9.102 1.00 71.41 C ATOM 149 SG CYS A 10 14.358 -7.581 -8.976 1.00 71.51 S ATOM 0 H CYS A 10 13.421 -6.868 -11.755 1.00 31.30 H new ATOM 0 HA CYS A 10 13.080 -4.309 -10.305 1.00 0.04 H new ATOM 0 HB2 CYS A 10 13.573 -5.423 -8.253 1.00 71.41 H new ATOM 0 HB3 CYS A 10 12.296 -6.340 -9.027 1.00 71.41 H new ATOM 154 N VAL A 11 15.617 -4.075 -9.921 1.00 11.35 N ATOM 155 CA VAL A 11 17.036 -3.758 -10.045 1.00 21.30 C ATOM 156 C VAL A 11 17.820 -4.270 -8.842 1.00 12.42 C ATOM 157 O VAL A 11 17.283 -4.443 -7.748 1.00 64.05 O ATOM 158 CB VAL A 11 17.262 -2.241 -10.184 1.00 2.54 C ATOM 159 CG1 VAL A 11 16.825 -1.760 -11.559 1.00 1.43 C ATOM 160 CG2 VAL A 11 16.524 -1.490 -9.086 1.00 21.03 C ATOM 0 H VAL A 11 15.109 -3.486 -9.261 1.00 11.35 H new ATOM 0 HA VAL A 11 17.394 -4.255 -10.947 1.00 21.30 H new ATOM 0 HB VAL A 11 18.328 -2.038 -10.077 1.00 2.54 H new ATOM 0 HG11 VAL A 11 16.992 -0.686 -11.639 1.00 1.43 H new ATOM 0 HG12 VAL A 11 17.404 -2.275 -12.326 1.00 1.43 H new ATOM 0 HG13 VAL A 11 15.765 -1.974 -11.699 1.00 1.43 H new ATOM 0 HG21 VAL A 11 16.695 -0.419 -9.199 1.00 21.03 H new ATOM 0 HG22 VAL A 11 15.456 -1.697 -9.158 1.00 21.03 H new ATOM 0 HG23 VAL A 11 16.892 -1.815 -8.113 1.00 21.03 H new ATOM 170 N PRO A 12 19.121 -4.518 -9.047 1.00 12.43 N ATOM 171 CA PRO A 12 20.009 -5.014 -7.989 1.00 32.44 C ATOM 172 C PRO A 12 20.278 -3.962 -6.919 1.00 74.42 C ATOM 173 O PRO A 12 20.561 -2.805 -7.228 1.00 32.53 O ATOM 174 CB PRO A 12 21.299 -5.355 -8.739 1.00 14.43 C ATOM 175 CG PRO A 12 21.277 -4.483 -9.948 1.00 24.34 C ATOM 176 CD PRO A 12 19.828 -4.336 -10.325 1.00 32.14 C ATOM 0 HA PRO A 12 19.574 -5.859 -7.455 1.00 32.44 H new ATOM 0 HB2 PRO A 12 22.178 -5.158 -8.125 1.00 14.43 H new ATOM 0 HB3 PRO A 12 21.331 -6.410 -9.012 1.00 14.43 H new ATOM 0 HG2 PRO A 12 21.726 -3.512 -9.738 1.00 24.34 H new ATOM 0 HG3 PRO A 12 21.849 -4.929 -10.762 1.00 24.34 H new ATOM 0 HD2 PRO A 12 19.624 -3.358 -10.761 1.00 32.14 H new ATOM 0 HD3 PRO A 12 19.527 -5.082 -11.060 1.00 32.14 H new ATOM 184 N GLY A 13 20.186 -4.371 -5.656 1.00 4.33 N ATOM 185 CA GLY A 13 20.423 -3.451 -4.560 1.00 32.52 C ATOM 186 C GLY A 13 19.137 -2.883 -3.992 1.00 64.23 C ATOM 187 O GLY A 13 19.111 -2.395 -2.862 1.00 14.33 O ATOM 0 H GLY A 13 19.952 -5.323 -5.374 1.00 4.33 H new ATOM 0 HA2 GLY A 13 20.970 -3.965 -3.770 1.00 32.52 H new ATOM 0 HA3 GLY A 13 21.056 -2.634 -4.906 1.00 32.52 H new ATOM 191 N LYS A 14 18.068 -2.944 -4.778 1.00 0.04 N ATOM 192 CA LYS A 14 16.772 -2.431 -4.349 1.00 54.41 C ATOM 193 C LYS A 14 15.959 -3.519 -3.655 1.00 4.00 C ATOM 194 O LYS A 14 15.404 -3.302 -2.579 1.00 23.42 O ATOM 195 CB LYS A 14 15.995 -1.884 -5.547 1.00 54.03 C ATOM 196 CG LYS A 14 16.350 -0.450 -5.900 1.00 64.22 C ATOM 197 CD LYS A 14 15.207 0.247 -6.620 1.00 44.52 C ATOM 198 CE LYS A 14 15.670 1.536 -7.281 1.00 40.23 C ATOM 199 NZ LYS A 14 15.784 2.652 -6.301 1.00 23.42 N1+ ATOM 0 H LYS A 14 18.073 -3.344 -5.716 1.00 0.04 H new ATOM 0 HA LYS A 14 16.946 -1.623 -3.638 1.00 54.41 H new ATOM 0 HB2 LYS A 14 16.184 -2.519 -6.412 1.00 54.03 H new ATOM 0 HB3 LYS A 14 14.928 -1.943 -5.335 1.00 54.03 H new ATOM 0 HG2 LYS A 14 16.597 0.099 -4.991 1.00 64.22 H new ATOM 0 HG3 LYS A 14 17.239 -0.439 -6.531 1.00 64.22 H new ATOM 0 HD2 LYS A 14 14.789 -0.420 -7.374 1.00 44.52 H new ATOM 0 HD3 LYS A 14 14.409 0.466 -5.911 1.00 44.52 H new ATOM 0 HE2 LYS A 14 16.636 1.372 -7.759 1.00 40.23 H new ATOM 0 HE3 LYS A 14 14.968 1.813 -8.067 1.00 40.23 H new ATOM 0 HZ1 LYS A 14 16.102 3.513 -6.790 1.00 23.42 H new ATOM 0 HZ2 LYS A 14 14.857 2.825 -5.863 1.00 23.42 H new ATOM 0 HZ3 LYS A 14 16.473 2.398 -5.564 1.00 23.42 H new ATOM 213 N ASN A 15 15.893 -4.691 -4.279 1.00 73.20 N ATOM 214 CA ASN A 15 15.148 -5.814 -3.721 1.00 14.34 C ATOM 215 C ASN A 15 13.661 -5.486 -3.624 1.00 64.14 C ATOM 216 O ASN A 15 13.031 -5.720 -2.594 1.00 51.44 O ATOM 217 CB ASN A 15 15.693 -6.177 -2.338 1.00 54.45 C ATOM 218 CG ASN A 15 17.208 -6.233 -2.310 1.00 41.41 C ATOM 219 OD1 ASN A 15 17.843 -6.670 -3.271 1.00 64.21 O ATOM 220 ND2 ASN A 15 17.796 -5.790 -1.205 1.00 32.42 N ATOM 0 H ASN A 15 16.346 -4.888 -5.171 1.00 73.20 H new ATOM 0 HA ASN A 15 15.271 -6.667 -4.388 1.00 14.34 H new ATOM 0 HB2 ASN A 15 15.346 -5.444 -1.610 1.00 54.45 H new ATOM 0 HB3 ASN A 15 15.291 -7.143 -2.034 1.00 54.45 H new ATOM 0 HD21 ASN A 15 18.813 -5.803 -1.128 1.00 32.42 H new ATOM 0 HD22 ASN A 15 17.231 -5.436 -0.433 1.00 32.42 H new ATOM 227 N GLU A 16 13.110 -4.943 -4.705 1.00 32.33 N ATOM 228 CA GLU A 16 11.697 -4.583 -4.740 1.00 13.41 C ATOM 229 C GLU A 16 10.817 -5.811 -4.532 1.00 64.50 C ATOM 230 O GLU A 16 9.682 -5.704 -4.066 1.00 74.33 O ATOM 231 CB GLU A 16 11.352 -3.914 -6.073 1.00 71.25 C ATOM 232 CG GLU A 16 12.343 -2.840 -6.490 1.00 14.43 C ATOM 233 CD GLU A 16 11.705 -1.756 -7.338 1.00 4.31 C ATOM 234 OE1 GLU A 16 10.686 -1.184 -6.900 1.00 72.13 O1- ATOM 235 OE2 GLU A 16 12.226 -1.481 -8.439 1.00 53.21 O ATOM 0 H GLU A 16 13.619 -4.743 -5.566 1.00 32.33 H new ATOM 0 HA GLU A 16 11.507 -3.880 -3.929 1.00 13.41 H new ATOM 0 HB2 GLU A 16 11.306 -4.676 -6.851 1.00 71.25 H new ATOM 0 HB3 GLU A 16 10.358 -3.472 -6.001 1.00 71.25 H new ATOM 0 HG2 GLU A 16 12.781 -2.389 -5.599 1.00 14.43 H new ATOM 0 HG3 GLU A 16 13.158 -3.300 -7.048 1.00 14.43 H new ATOM 242 N CYS A 17 11.347 -6.978 -4.881 1.00 11.40 N ATOM 243 CA CYS A 17 10.612 -8.228 -4.734 1.00 22.31 C ATOM 244 C CYS A 17 10.065 -8.375 -3.316 1.00 74.41 C ATOM 245 O CYS A 17 10.559 -7.743 -2.381 1.00 72.35 O ATOM 246 CB CYS A 17 11.513 -9.417 -5.070 1.00 4.44 C ATOM 247 SG CYS A 17 12.012 -9.502 -6.820 1.00 32.42 S ATOM 0 H CYS A 17 12.285 -7.084 -5.268 1.00 11.40 H new ATOM 0 HA CYS A 17 9.772 -8.210 -5.429 1.00 22.31 H new ATOM 0 HB2 CYS A 17 12.408 -9.367 -4.450 1.00 4.44 H new ATOM 0 HB3 CYS A 17 10.994 -10.338 -4.806 1.00 4.44 H new ATOM 252 N CYS A 18 9.043 -9.210 -3.166 1.00 55.14 N ATOM 253 CA CYS A 18 8.429 -9.440 -1.865 1.00 24.25 C ATOM 254 C CYS A 18 9.324 -10.310 -0.986 1.00 71.35 C ATOM 255 O CYS A 18 10.435 -10.667 -1.376 1.00 42.53 O ATOM 256 CB CYS A 18 7.061 -10.104 -2.033 1.00 74.34 C ATOM 257 SG CYS A 18 5.802 -9.030 -2.796 1.00 70.23 S ATOM 0 H CYS A 18 8.622 -9.739 -3.930 1.00 55.14 H new ATOM 0 HA CYS A 18 8.299 -8.474 -1.377 1.00 24.25 H new ATOM 0 HB2 CYS A 18 7.176 -11.000 -2.643 1.00 74.34 H new ATOM 0 HB3 CYS A 18 6.703 -10.427 -1.055 1.00 74.34 H new ATOM 262 N SER A 19 8.830 -10.648 0.201 1.00 22.25 N ATOM 263 CA SER A 19 9.586 -11.473 1.136 1.00 43.45 C ATOM 264 C SER A 19 9.672 -12.913 0.643 1.00 70.33 C ATOM 265 O SER A 19 8.662 -13.528 0.305 1.00 11.24 O ATOM 266 CB SER A 19 8.938 -11.435 2.521 1.00 33.12 C ATOM 267 OG SER A 19 9.800 -11.983 3.503 1.00 24.23 O ATOM 0 H SER A 19 7.910 -10.363 0.538 1.00 22.25 H new ATOM 0 HA SER A 19 10.596 -11.069 1.203 1.00 43.45 H new ATOM 0 HB2 SER A 19 8.692 -10.406 2.782 1.00 33.12 H new ATOM 0 HB3 SER A 19 8.001 -11.992 2.503 1.00 33.12 H new ATOM 0 HG SER A 19 9.363 -11.945 4.379 1.00 24.23 H new ATOM 273 N GLY A 20 10.889 -13.448 0.604 1.00 54.32 N ATOM 274 CA GLY A 20 11.087 -14.812 0.149 1.00 63.31 C ATOM 275 C GLY A 20 11.473 -14.886 -1.314 1.00 44.33 C ATOM 276 O GLY A 20 11.478 -15.964 -1.908 1.00 41.02 O ATOM 0 H GLY A 20 11.742 -12.961 0.880 1.00 54.32 H new ATOM 0 HA2 GLY A 20 11.864 -15.283 0.751 1.00 63.31 H new ATOM 0 HA3 GLY A 20 10.171 -15.381 0.309 1.00 63.31 H new ATOM 280 N TYR A 21 11.795 -13.737 -1.899 1.00 22.43 N ATOM 281 CA TYR A 21 12.179 -13.675 -3.304 1.00 33.31 C ATOM 282 C TYR A 21 13.537 -13.000 -3.468 1.00 73.24 C ATOM 283 O TYR A 21 13.903 -12.120 -2.690 1.00 45.31 O ATOM 284 CB TYR A 21 11.121 -12.920 -4.111 1.00 52.44 C ATOM 285 CG TYR A 21 9.792 -13.638 -4.189 1.00 32.41 C ATOM 286 CD1 TYR A 21 8.974 -13.749 -3.071 1.00 11.45 C ATOM 287 CD2 TYR A 21 9.355 -14.203 -5.379 1.00 74.25 C ATOM 288 CE1 TYR A 21 7.759 -14.403 -3.137 1.00 3.33 C ATOM 289 CE2 TYR A 21 8.141 -14.859 -5.456 1.00 54.23 C ATOM 290 CZ TYR A 21 7.347 -14.957 -4.332 1.00 12.33 C ATOM 291 OH TYR A 21 6.138 -15.609 -4.402 1.00 53.32 O ATOM 0 H TYR A 21 11.798 -12.836 -1.421 1.00 22.43 H new ATOM 0 HA TYR A 21 12.253 -14.696 -3.680 1.00 33.31 H new ATOM 0 HB2 TYR A 21 10.968 -11.938 -3.664 1.00 52.44 H new ATOM 0 HB3 TYR A 21 11.496 -12.756 -5.121 1.00 52.44 H new ATOM 0 HD1 TYR A 21 9.294 -13.317 -2.134 1.00 11.45 H new ATOM 0 HD2 TYR A 21 9.975 -14.129 -6.260 1.00 74.25 H new ATOM 0 HE1 TYR A 21 7.135 -14.480 -2.259 1.00 3.33 H new ATOM 0 HE2 TYR A 21 7.816 -15.292 -6.390 1.00 54.23 H new ATOM 0 HH TYR A 21 5.997 -15.940 -5.314 1.00 53.32 H new ATOM 301 N ALA A 22 14.280 -13.420 -4.487 1.00 51.33 N ATOM 302 CA ALA A 22 15.597 -12.857 -4.756 1.00 3.12 C ATOM 303 C ALA A 22 15.584 -12.014 -6.027 1.00 1.44 C ATOM 304 O ALA A 22 14.641 -12.080 -6.817 1.00 35.51 O ATOM 305 CB ALA A 22 16.633 -13.965 -4.865 1.00 41.01 C ATOM 0 H ALA A 22 13.992 -14.149 -5.140 1.00 51.33 H new ATOM 0 HA ALA A 22 15.864 -12.207 -3.923 1.00 3.12 H new ATOM 0 HB1 ALA A 22 17.612 -13.529 -5.066 1.00 41.01 H new ATOM 0 HB2 ALA A 22 16.669 -14.523 -3.929 1.00 41.01 H new ATOM 0 HB3 ALA A 22 16.362 -14.638 -5.678 1.00 41.01 H new ATOM 311 N CYS A 23 16.635 -11.223 -6.218 1.00 21.01 N ATOM 312 CA CYS A 23 16.744 -10.367 -7.393 1.00 23.22 C ATOM 313 C CYS A 23 17.933 -10.778 -8.256 1.00 64.21 C ATOM 314 O CYS A 23 19.020 -11.049 -7.746 1.00 75.42 O ATOM 315 CB CYS A 23 16.887 -8.903 -6.971 1.00 63.31 C ATOM 316 SG CYS A 23 15.358 -7.928 -7.139 1.00 53.32 S ATOM 0 H CYS A 23 17.423 -11.157 -5.574 1.00 21.01 H new ATOM 0 HA CYS A 23 15.834 -10.481 -7.982 1.00 23.22 H new ATOM 0 HB2 CYS A 23 17.217 -8.866 -5.933 1.00 63.31 H new ATOM 0 HB3 CYS A 23 17.669 -8.438 -7.571 1.00 63.31 H new ATOM 321 N SER A 24 17.718 -10.822 -9.568 1.00 62.22 N ATOM 322 CA SER A 24 18.770 -11.202 -10.503 1.00 42.32 C ATOM 323 C SER A 24 19.064 -10.069 -11.481 1.00 4.53 C ATOM 324 O SER A 24 18.242 -9.747 -12.338 1.00 35.33 O ATOM 325 CB SER A 24 18.367 -12.463 -11.270 1.00 23.52 C ATOM 326 OG SER A 24 19.393 -13.441 -11.218 1.00 60.13 O ATOM 0 H SER A 24 16.825 -10.599 -10.007 1.00 62.22 H new ATOM 0 HA SER A 24 19.675 -11.407 -9.931 1.00 42.32 H new ATOM 0 HB2 SER A 24 17.449 -12.872 -10.848 1.00 23.52 H new ATOM 0 HB3 SER A 24 18.155 -12.209 -12.308 1.00 23.52 H new ATOM 0 HG SER A 24 19.111 -14.238 -11.714 1.00 60.13 H new ATOM 332 N SER A 25 20.242 -9.469 -11.345 1.00 53.21 N ATOM 333 CA SER A 25 20.645 -8.369 -12.214 1.00 62.51 C ATOM 334 C SER A 25 20.940 -8.871 -13.624 1.00 52.10 C ATOM 335 O SER A 25 20.896 -8.107 -14.589 1.00 0.11 O ATOM 336 CB SER A 25 21.875 -7.664 -11.643 1.00 3.21 C ATOM 337 OG SER A 25 22.743 -8.587 -11.007 1.00 24.10 O ATOM 0 H SER A 25 20.934 -9.726 -10.641 1.00 53.21 H new ATOM 0 HA SER A 25 19.820 -7.658 -12.266 1.00 62.51 H new ATOM 0 HB2 SER A 25 22.408 -7.151 -12.443 1.00 3.21 H new ATOM 0 HB3 SER A 25 21.563 -6.902 -10.929 1.00 3.21 H new ATOM 0 HG SER A 25 23.523 -8.111 -10.652 1.00 24.10 H new ATOM 343 N ARG A 26 21.242 -10.161 -13.735 1.00 62.31 N ATOM 344 CA ARG A 26 21.547 -10.766 -15.026 1.00 24.03 C ATOM 345 C ARG A 26 20.452 -10.457 -16.043 1.00 71.54 C ATOM 346 O ARG A 26 20.735 -10.050 -17.170 1.00 33.12 O ATOM 347 CB ARG A 26 21.709 -12.280 -14.879 1.00 32.33 C ATOM 348 CG ARG A 26 22.398 -12.937 -16.063 1.00 34.31 C ATOM 349 CD ARG A 26 23.910 -12.932 -15.901 1.00 74.15 C ATOM 350 NE ARG A 26 24.518 -11.735 -16.476 1.00 34.12 N ATOM 351 CZ ARG A 26 25.795 -11.408 -16.311 1.00 62.23 C ATOM 352 NH1 ARG A 26 26.595 -12.186 -15.595 1.00 4.20 N1+ ATOM 353 NH2 ARG A 26 26.275 -10.303 -16.867 1.00 25.53 N ATOM 0 H ARG A 26 21.282 -10.807 -12.947 1.00 62.31 H new ATOM 0 HA ARG A 26 22.484 -10.341 -15.386 1.00 24.03 H new ATOM 0 HB2 ARG A 26 22.281 -12.489 -13.975 1.00 32.33 H new ATOM 0 HB3 ARG A 26 20.726 -12.731 -14.746 1.00 32.33 H new ATOM 0 HG2 ARG A 26 22.046 -13.963 -16.167 1.00 34.31 H new ATOM 0 HG3 ARG A 26 22.127 -12.413 -16.980 1.00 34.31 H new ATOM 0 HD2 ARG A 26 24.161 -12.993 -14.842 1.00 74.15 H new ATOM 0 HD3 ARG A 26 24.329 -13.817 -16.380 1.00 74.15 H new ATOM 0 HE ARG A 26 23.930 -11.116 -17.035 1.00 34.12 H new ATOM 0 HH11 ARG A 26 26.230 -13.038 -15.169 1.00 4.20 H new ATOM 0 HH12 ARG A 26 27.575 -11.932 -15.470 1.00 4.20 H new ATOM 0 HH21 ARG A 26 25.663 -9.704 -17.422 1.00 25.53 H new ATOM 0 HH22 ARG A 26 27.256 -10.053 -16.740 1.00 25.53 H new ATOM 367 N ASP A 27 19.202 -10.654 -15.638 1.00 53.53 N ATOM 368 CA ASP A 27 18.065 -10.396 -16.512 1.00 64.32 C ATOM 369 C ASP A 27 17.201 -9.265 -15.963 1.00 51.53 C ATOM 370 O ASP A 27 16.211 -8.869 -16.578 1.00 70.30 O ATOM 371 CB ASP A 27 17.223 -11.663 -16.677 1.00 24.43 C ATOM 372 CG ASP A 27 17.333 -12.254 -18.070 1.00 71.42 C ATOM 373 OD1 ASP A 27 17.235 -11.485 -19.050 1.00 34.43 O1- ATOM 374 OD2 ASP A 27 17.516 -13.484 -18.178 1.00 61.54 O ATOM 0 H ASP A 27 18.951 -10.992 -14.709 1.00 53.53 H new ATOM 0 HA ASP A 27 18.450 -10.094 -17.486 1.00 64.32 H new ATOM 0 HB2 ASP A 27 17.541 -12.405 -15.944 1.00 24.43 H new ATOM 0 HB3 ASP A 27 16.179 -11.432 -16.465 1.00 24.43 H new ATOM 379 N LYS A 28 17.583 -8.749 -14.800 1.00 24.22 N ATOM 380 CA LYS A 28 16.845 -7.662 -14.166 1.00 42.13 C ATOM 381 C LYS A 28 15.398 -8.068 -13.905 1.00 72.43 C ATOM 382 O LYS A 28 14.466 -7.370 -14.304 1.00 12.12 O ATOM 383 CB LYS A 28 16.884 -6.411 -15.044 1.00 42.20 C ATOM 384 CG LYS A 28 18.166 -5.608 -14.902 1.00 61.11 C ATOM 385 CD LYS A 28 17.902 -4.115 -14.996 1.00 63.24 C ATOM 386 CE LYS A 28 18.132 -3.595 -16.407 1.00 34.52 C ATOM 387 NZ LYS A 28 17.133 -4.140 -17.368 1.00 25.10 N1+ ATOM 0 H LYS A 28 18.399 -9.066 -14.277 1.00 24.22 H new ATOM 0 HA LYS A 28 17.321 -7.442 -13.210 1.00 42.13 H new ATOM 0 HB2 LYS A 28 16.763 -6.705 -16.087 1.00 42.20 H new ATOM 0 HB3 LYS A 28 16.036 -5.774 -14.792 1.00 42.20 H new ATOM 0 HG2 LYS A 28 18.635 -5.836 -13.945 1.00 61.11 H new ATOM 0 HG3 LYS A 28 18.870 -5.904 -15.680 1.00 61.11 H new ATOM 0 HD2 LYS A 28 16.876 -3.906 -14.693 1.00 63.24 H new ATOM 0 HD3 LYS A 28 18.554 -3.585 -14.301 1.00 63.24 H new ATOM 0 HE2 LYS A 28 18.079 -2.506 -16.406 1.00 34.52 H new ATOM 0 HE3 LYS A 28 19.136 -3.865 -16.735 1.00 34.52 H new ATOM 0 HZ1 LYS A 28 17.214 -3.638 -18.275 1.00 25.10 H new ATOM 0 HZ2 LYS A 28 17.311 -5.154 -17.516 1.00 25.10 H new ATOM 0 HZ3 LYS A 28 16.175 -4.009 -16.985 1.00 25.10 H new ATOM 401 N TRP A 29 15.217 -9.199 -13.231 1.00 31.41 N ATOM 402 CA TRP A 29 13.882 -9.696 -12.916 1.00 42.43 C ATOM 403 C TRP A 29 13.819 -10.216 -11.484 1.00 31.51 C ATOM 404 O TRP A 29 14.784 -10.100 -10.728 1.00 3.13 O ATOM 405 CB TRP A 29 13.484 -10.803 -13.894 1.00 32.13 C ATOM 406 CG TRP A 29 14.499 -11.902 -13.991 1.00 73.24 C ATOM 407 CD1 TRP A 29 15.504 -12.171 -13.105 1.00 40.14 C ATOM 408 CD2 TRP A 29 14.607 -12.878 -15.032 1.00 44.13 C ATOM 409 NE1 TRP A 29 16.230 -13.256 -13.534 1.00 31.43 N ATOM 410 CE2 TRP A 29 15.700 -13.708 -14.714 1.00 72.32 C ATOM 411 CE3 TRP A 29 13.886 -13.133 -16.202 1.00 30.31 C ATOM 412 CZ2 TRP A 29 16.088 -14.772 -15.523 1.00 63.02 C ATOM 413 CZ3 TRP A 29 14.272 -14.190 -17.005 1.00 21.22 C ATOM 414 CH2 TRP A 29 15.365 -14.999 -16.662 1.00 64.04 C ATOM 0 H TRP A 29 15.977 -9.789 -12.892 1.00 31.41 H new ATOM 0 HA TRP A 29 13.180 -8.868 -13.012 1.00 42.43 H new ATOM 0 HB2 TRP A 29 12.529 -11.226 -13.583 1.00 32.13 H new ATOM 0 HB3 TRP A 29 13.334 -10.368 -14.882 1.00 32.13 H new ATOM 0 HD1 TRP A 29 15.699 -11.613 -12.201 1.00 40.14 H new ATOM 0 HE1 TRP A 29 17.033 -13.660 -13.052 1.00 31.43 H new ATOM 0 HE3 TRP A 29 13.043 -12.515 -16.474 1.00 30.31 H new ATOM 0 HZ2 TRP A 29 16.930 -15.396 -15.261 1.00 63.02 H new ATOM 0 HZ3 TRP A 29 13.723 -14.396 -17.912 1.00 21.22 H new ATOM 0 HH2 TRP A 29 15.641 -15.818 -17.310 1.00 64.04 H new ATOM 425 N CYS A 30 12.679 -10.792 -11.119 1.00 44.54 N ATOM 426 CA CYS A 30 12.491 -11.331 -9.777 1.00 1.53 C ATOM 427 C CYS A 30 12.781 -12.830 -9.748 1.00 31.32 C ATOM 428 O CYS A 30 12.853 -13.480 -10.790 1.00 74.25 O ATOM 429 CB CYS A 30 11.063 -11.067 -9.295 1.00 64.32 C ATOM 430 SG CYS A 30 10.848 -9.469 -8.448 1.00 55.01 S ATOM 0 H CYS A 30 11.872 -10.898 -11.733 1.00 44.54 H new ATOM 0 HA CYS A 30 13.191 -10.830 -9.109 1.00 1.53 H new ATOM 0 HB2 CYS A 30 10.389 -11.106 -10.151 1.00 64.32 H new ATOM 0 HB3 CYS A 30 10.765 -11.868 -8.618 1.00 64.32 H new ATOM 435 N LYS A 31 12.943 -13.371 -8.545 1.00 1.34 N ATOM 436 CA LYS A 31 13.223 -14.791 -8.377 1.00 53.31 C ATOM 437 C LYS A 31 12.461 -15.359 -7.183 1.00 30.41 C ATOM 438 O LYS A 31 12.237 -14.666 -6.191 1.00 2.12 O ATOM 439 CB LYS A 31 14.726 -15.018 -8.190 1.00 64.22 C ATOM 440 CG LYS A 31 15.582 -14.299 -9.219 1.00 62.34 C ATOM 441 CD LYS A 31 15.427 -14.913 -10.600 1.00 21.52 C ATOM 442 CE LYS A 31 16.649 -15.734 -10.985 1.00 41.12 C ATOM 443 NZ LYS A 31 16.444 -17.187 -10.729 1.00 11.43 N1+ ATOM 0 H LYS A 31 12.885 -12.847 -7.672 1.00 1.34 H new ATOM 0 HA LYS A 31 12.892 -15.309 -9.277 1.00 53.31 H new ATOM 0 HB2 LYS A 31 15.014 -14.685 -7.193 1.00 64.22 H new ATOM 0 HB3 LYS A 31 14.933 -16.087 -8.241 1.00 64.22 H new ATOM 0 HG2 LYS A 31 15.302 -13.246 -9.254 1.00 62.34 H new ATOM 0 HG3 LYS A 31 16.628 -14.341 -8.916 1.00 62.34 H new ATOM 0 HD2 LYS A 31 14.540 -15.547 -10.620 1.00 21.52 H new ATOM 0 HD3 LYS A 31 15.271 -14.123 -11.335 1.00 21.52 H new ATOM 0 HE2 LYS A 31 16.873 -15.579 -12.041 1.00 41.12 H new ATOM 0 HE3 LYS A 31 17.514 -15.384 -10.421 1.00 41.12 H new ATOM 0 HZ1 LYS A 31 17.299 -17.712 -11.004 1.00 11.43 H new ATOM 0 HZ2 LYS A 31 16.256 -17.338 -9.717 1.00 11.43 H new ATOM 0 HZ3 LYS A 31 15.634 -17.527 -11.286 1.00 11.43 H new ATOM 457 N VAL A 32 12.067 -16.625 -7.286 1.00 34.04 N ATOM 458 CA VAL A 32 11.332 -17.285 -6.214 1.00 65.25 C ATOM 459 C VAL A 32 11.984 -18.611 -5.838 1.00 2.32 C ATOM 460 O VAL A 32 12.338 -19.410 -6.707 1.00 22.20 O ATOM 461 CB VAL A 32 9.867 -17.540 -6.612 1.00 73.43 C ATOM 462 CG1 VAL A 32 9.792 -18.508 -7.783 1.00 11.10 C ATOM 463 CG2 VAL A 32 9.076 -18.065 -5.424 1.00 60.31 C ATOM 0 H VAL A 32 12.245 -17.213 -8.100 1.00 34.04 H new ATOM 0 HA VAL A 32 11.355 -16.615 -5.355 1.00 65.25 H new ATOM 0 HB VAL A 32 9.424 -16.594 -6.925 1.00 73.43 H new ATOM 0 HG11 VAL A 32 8.749 -18.676 -8.050 1.00 11.10 H new ATOM 0 HG12 VAL A 32 10.322 -18.087 -8.637 1.00 11.10 H new ATOM 0 HG13 VAL A 32 10.252 -19.456 -7.502 1.00 11.10 H new ATOM 0 HG21 VAL A 32 8.043 -18.240 -5.723 1.00 60.31 H new ATOM 0 HG22 VAL A 32 9.517 -19.000 -5.078 1.00 60.31 H new ATOM 0 HG23 VAL A 32 9.101 -17.332 -4.618 1.00 60.31 H new ATOM 473 N LEU A 33 12.138 -18.841 -4.540 1.00 35.50 N ATOM 474 CA LEU A 33 12.747 -20.073 -4.047 1.00 75.13 C ATOM 475 C LEU A 33 11.902 -21.286 -4.423 1.00 13.13 C ATOM 476 O LEU A 33 10.791 -21.462 -3.922 1.00 43.41 O ATOM 477 CB LEU A 33 12.918 -20.008 -2.528 1.00 4.12 C ATOM 478 CG LEU A 33 13.785 -18.865 -1.999 1.00 42.40 C ATOM 479 CD1 LEU A 33 13.395 -18.516 -0.570 1.00 61.02 C ATOM 480 CD2 LEU A 33 15.259 -19.233 -2.077 1.00 62.44 C ATOM 0 H LEU A 33 11.850 -18.191 -3.808 1.00 35.50 H new ATOM 0 HA LEU A 33 13.727 -20.177 -4.513 1.00 75.13 H new ATOM 0 HB2 LEU A 33 11.930 -19.928 -2.074 1.00 4.12 H new ATOM 0 HB3 LEU A 33 13.349 -20.951 -2.190 1.00 4.12 H new ATOM 0 HG LEU A 33 13.617 -17.988 -2.624 1.00 42.40 H new ATOM 0 HD11 LEU A 33 14.023 -17.701 -0.210 1.00 61.02 H new ATOM 0 HD12 LEU A 33 12.350 -18.208 -0.543 1.00 61.02 H new ATOM 0 HD13 LEU A 33 13.533 -19.389 0.068 1.00 61.02 H new ATOM 0 HD21 LEU A 33 15.861 -18.408 -1.696 1.00 62.44 H new ATOM 0 HD22 LEU A 33 15.444 -20.124 -1.477 1.00 62.44 H new ATOM 0 HD23 LEU A 33 15.530 -19.432 -3.114 1.00 62.44 H new ATOM 492 N LEU A 34 12.436 -22.121 -5.307 1.00 44.45 N ATOM 493 CA LEU A 34 11.733 -23.320 -5.749 1.00 44.30 C ATOM 494 C LEU A 34 11.897 -24.451 -4.738 1.00 65.04 C ATOM 495 O LEU A 34 12.765 -25.311 -4.889 1.00 62.12 O ATOM 496 CB LEU A 34 12.253 -23.764 -7.118 1.00 14.40 C ATOM 497 CG LEU A 34 12.308 -22.684 -8.197 1.00 53.30 C ATOM 498 CD1 LEU A 34 13.142 -23.152 -9.380 1.00 21.23 C ATOM 499 CD2 LEU A 34 10.904 -22.308 -8.648 1.00 1.13 C ATOM 0 H LEU A 34 13.354 -21.990 -5.732 1.00 44.45 H new ATOM 0 HA LEU A 34 10.673 -23.081 -5.830 1.00 44.30 H new ATOM 0 HB2 LEU A 34 13.256 -24.172 -6.989 1.00 14.40 H new ATOM 0 HB3 LEU A 34 11.622 -24.577 -7.478 1.00 14.40 H new ATOM 0 HG LEU A 34 12.781 -21.799 -7.773 1.00 53.30 H new ATOM 0 HD11 LEU A 34 13.169 -22.369 -10.138 1.00 21.23 H new ATOM 0 HD12 LEU A 34 14.157 -23.370 -9.046 1.00 21.23 H new ATOM 0 HD13 LEU A 34 12.698 -24.053 -9.804 1.00 21.23 H new ATOM 0 HD21 LEU A 34 10.963 -21.537 -9.417 1.00 1.13 H new ATOM 0 HD22 LEU A 34 10.404 -23.188 -9.054 1.00 1.13 H new ATOM 0 HD23 LEU A 34 10.338 -21.929 -7.797 1.00 1.13 H new TER 511 LEU A 34