USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=6 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+ 167:sc= -0.0737 (180deg=-0.278) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 39:sc= 0.0261 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0866 K(o=-0.087,f=-2.2!) 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 -170:sc= -0.438 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 0.583 0.585 -4.998 1.00 12.11 N ATOM 2 CA ALA A 1 1.710 0.691 -4.080 1.00 52.14 C ATOM 3 C ALA A 1 2.137 -0.682 -3.572 1.00 25.12 C ATOM 4 O ALA A 1 2.716 -0.802 -2.493 1.00 21.21 O ATOM 5 CB ALA A 1 1.357 1.601 -2.913 1.00 2.33 C ATOM 0 H1 ALA A 1 0.174 1.528 -5.156 1.00 12.11 H new ATOM 0 H2 ALA A 1 0.909 0.193 -5.904 1.00 12.11 H new ATOM 0 H3 ALA A 1 -0.139 -0.042 -4.590 1.00 12.11 H new ATOM 0 HA ALA A 1 2.549 1.125 -4.624 1.00 52.14 H new ATOM 0 HB1 ALA A 1 2.208 1.671 -2.236 1.00 2.33 H new ATOM 0 HB2 ALA A 1 1.109 2.594 -3.288 1.00 2.33 H new ATOM 0 HB3 ALA A 1 0.500 1.191 -2.378 1.00 2.33 H new ATOM 13 N GLU A 2 1.844 -1.716 -4.356 1.00 50.00 N ATOM 14 CA GLU A 2 2.196 -3.080 -3.983 1.00 54.11 C ATOM 15 C GLU A 2 3.655 -3.377 -4.318 1.00 62.42 C ATOM 16 O GLU A 2 4.314 -2.601 -5.012 1.00 2.33 O ATOM 17 CB GLU A 2 1.284 -4.080 -4.698 1.00 32.40 C ATOM 18 CG GLU A 2 1.100 -5.385 -3.943 1.00 63.31 C ATOM 19 CD GLU A 2 -0.246 -6.030 -4.210 1.00 50.54 C ATOM 20 OE1 GLU A 2 -0.522 -6.363 -5.382 1.00 43.45 O ATOM 21 OE2 GLU A 2 -1.023 -6.201 -3.248 1.00 14.01 O1- ATOM 0 H GLU A 2 1.364 -1.634 -5.252 1.00 50.00 H new ATOM 0 HA GLU A 2 2.060 -3.181 -2.906 1.00 54.11 H new ATOM 0 HB2 GLU A 2 0.308 -3.621 -4.855 1.00 32.40 H new ATOM 0 HB3 GLU A 2 1.697 -4.295 -5.683 1.00 32.40 H new ATOM 0 HG2 GLU A 2 1.893 -6.078 -4.225 1.00 63.31 H new ATOM 0 HG3 GLU A 2 1.204 -5.199 -2.874 1.00 63.31 H new ATOM 28 N CYS A 3 4.154 -4.503 -3.819 1.00 61.14 N ATOM 29 CA CYS A 3 5.533 -4.903 -4.063 1.00 54.52 C ATOM 30 C CYS A 3 5.645 -5.716 -5.350 1.00 4.43 C ATOM 31 O CYS A 3 4.640 -6.158 -5.907 1.00 45.13 O ATOM 32 CB CYS A 3 6.067 -5.718 -2.884 1.00 25.33 C ATOM 33 SG CYS A 3 5.131 -7.246 -2.552 1.00 61.41 S ATOM 0 H CYS A 3 3.622 -5.155 -3.242 1.00 61.14 H new ATOM 0 HA CYS A 3 6.132 -3.999 -4.172 1.00 54.52 H new ATOM 0 HB2 CYS A 3 7.108 -5.977 -3.077 1.00 25.33 H new ATOM 0 HB3 CYS A 3 6.054 -5.095 -1.990 1.00 25.33 H new ATOM 38 N LYS A 4 6.874 -5.910 -5.816 1.00 51.35 N ATOM 39 CA LYS A 4 7.119 -6.672 -7.035 1.00 63.21 C ATOM 40 C LYS A 4 6.616 -8.105 -6.892 1.00 14.51 C ATOM 41 O LYS A 4 6.188 -8.518 -5.815 1.00 75.33 O ATOM 42 CB LYS A 4 8.613 -6.675 -7.367 1.00 74.44 C ATOM 43 CG LYS A 4 8.997 -5.682 -8.449 1.00 52.44 C ATOM 44 CD LYS A 4 8.582 -4.267 -8.082 1.00 1.14 C ATOM 45 CE LYS A 4 9.085 -3.255 -9.099 1.00 12.25 C ATOM 46 NZ LYS A 4 8.711 -1.862 -8.728 1.00 43.31 N1+ ATOM 0 H LYS A 4 7.716 -5.550 -5.368 1.00 51.35 H new ATOM 0 HA LYS A 4 6.573 -6.194 -7.848 1.00 63.21 H new ATOM 0 HB2 LYS A 4 9.178 -6.451 -6.462 1.00 74.44 H new ATOM 0 HB3 LYS A 4 8.904 -7.676 -7.685 1.00 74.44 H new ATOM 0 HG2 LYS A 4 10.075 -5.716 -8.609 1.00 52.44 H new ATOM 0 HG3 LYS A 4 8.526 -5.968 -9.390 1.00 52.44 H new ATOM 0 HD2 LYS A 4 7.495 -4.211 -8.019 1.00 1.14 H new ATOM 0 HD3 LYS A 4 8.972 -4.017 -7.095 1.00 1.14 H new ATOM 0 HE2 LYS A 4 10.169 -3.330 -9.180 1.00 12.25 H new ATOM 0 HE3 LYS A 4 8.674 -3.492 -10.081 1.00 12.25 H new ATOM 0 HZ1 LYS A 4 9.072 -1.203 -9.446 1.00 43.31 H new ATOM 0 HZ2 LYS A 4 7.675 -1.783 -8.675 1.00 43.31 H new ATOM 0 HZ3 LYS A 4 9.124 -1.626 -7.803 1.00 43.31 H new ATOM 60 N GLY A 5 6.675 -8.860 -7.984 1.00 61.21 N ATOM 61 CA GLY A 5 6.224 -10.239 -7.958 1.00 24.52 C ATOM 62 C GLY A 5 7.340 -11.220 -8.258 1.00 12.03 C ATOM 63 O GLY A 5 8.384 -11.202 -7.605 1.00 44.11 O ATOM 0 H GLY A 5 7.027 -8.541 -8.887 1.00 61.21 H new ATOM 0 HA2 GLY A 5 5.803 -10.462 -6.978 1.00 24.52 H new ATOM 0 HA3 GLY A 5 5.424 -10.370 -8.686 1.00 24.52 H new ATOM 67 N PHE A 6 7.121 -12.081 -9.246 1.00 74.41 N ATOM 68 CA PHE A 6 8.116 -13.075 -9.629 1.00 14.12 C ATOM 69 C PHE A 6 8.629 -12.816 -11.043 1.00 20.32 C ATOM 70 O PHE A 6 9.814 -12.989 -11.325 1.00 30.10 O ATOM 71 CB PHE A 6 7.521 -14.482 -9.541 1.00 62.42 C ATOM 72 CG PHE A 6 8.410 -15.546 -10.119 1.00 64.14 C ATOM 73 CD1 PHE A 6 9.749 -15.615 -9.769 1.00 22.52 C ATOM 74 CD2 PHE A 6 7.906 -16.477 -11.013 1.00 43.12 C ATOM 75 CE1 PHE A 6 10.568 -16.593 -10.300 1.00 21.53 C ATOM 76 CE2 PHE A 6 8.720 -17.458 -11.547 1.00 4.40 C ATOM 77 CZ PHE A 6 10.055 -17.515 -11.190 1.00 31.41 C ATOM 0 H PHE A 6 6.263 -12.110 -9.796 1.00 74.41 H new ATOM 0 HA PHE A 6 8.955 -12.998 -8.937 1.00 14.12 H new ATOM 0 HB2 PHE A 6 7.318 -14.717 -8.496 1.00 62.42 H new ATOM 0 HB3 PHE A 6 6.564 -14.496 -10.063 1.00 62.42 H new ATOM 0 HD1 PHE A 6 10.157 -14.896 -9.074 1.00 22.52 H new ATOM 0 HD2 PHE A 6 6.865 -16.436 -11.296 1.00 43.12 H new ATOM 0 HE1 PHE A 6 11.610 -16.636 -10.019 1.00 21.53 H new ATOM 0 HE2 PHE A 6 8.314 -18.179 -12.242 1.00 4.40 H new ATOM 0 HZ PHE A 6 10.695 -18.279 -11.607 1.00 31.41 H new ATOM 87 N TRP A 7 7.727 -12.400 -11.925 1.00 11.32 N ATOM 88 CA TRP A 7 8.088 -12.117 -13.310 1.00 4.43 C ATOM 89 C TRP A 7 8.247 -10.618 -13.535 1.00 5.24 C ATOM 90 O TRP A 7 8.495 -10.171 -14.656 1.00 41.31 O ATOM 91 CB TRP A 7 7.029 -12.680 -14.259 1.00 72.42 C ATOM 92 CG TRP A 7 7.563 -13.000 -15.622 1.00 54.44 C ATOM 93 CD1 TRP A 7 8.288 -14.101 -15.980 1.00 11.44 C ATOM 94 CD2 TRP A 7 7.415 -12.212 -16.808 1.00 32.22 C ATOM 95 NE1 TRP A 7 8.601 -14.043 -17.317 1.00 40.53 N ATOM 96 CE2 TRP A 7 8.076 -12.895 -17.848 1.00 53.24 C ATOM 97 CE3 TRP A 7 6.788 -10.996 -17.093 1.00 11.41 C ATOM 98 CZ2 TRP A 7 8.126 -12.400 -19.148 1.00 5.53 C ATOM 99 CZ3 TRP A 7 6.839 -10.506 -18.384 1.00 41.22 C ATOM 100 CH2 TRP A 7 7.504 -11.208 -19.399 1.00 75.31 C ATOM 0 H TRP A 7 6.742 -12.251 -11.706 1.00 11.32 H new ATOM 0 HA TRP A 7 9.043 -12.599 -13.517 1.00 4.43 H new ATOM 0 HB2 TRP A 7 6.603 -13.583 -13.822 1.00 72.42 H new ATOM 0 HB3 TRP A 7 6.217 -11.959 -14.355 1.00 72.42 H new ATOM 0 HD1 TRP A 7 8.573 -14.899 -15.311 1.00 11.44 H new ATOM 0 HE1 TRP A 7 9.138 -14.742 -17.831 1.00 40.53 H new ATOM 0 HE3 TRP A 7 6.273 -10.449 -16.318 1.00 11.41 H new ATOM 0 HZ2 TRP A 7 8.638 -12.939 -19.931 1.00 5.53 H new ATOM 0 HZ3 TRP A 7 6.359 -9.567 -18.615 1.00 41.22 H new ATOM 0 HH2 TRP A 7 7.526 -10.800 -20.399 1.00 75.31 H new ATOM 111 N LYS A 8 8.101 -9.844 -12.465 1.00 51.55 N ATOM 112 CA LYS A 8 8.230 -8.395 -12.545 1.00 1.40 C ATOM 113 C LYS A 8 9.672 -7.991 -12.835 1.00 33.31 C ATOM 114 O LYS A 8 10.563 -8.838 -12.893 1.00 34.14 O ATOM 115 CB LYS A 8 7.761 -7.747 -11.241 1.00 74.13 C ATOM 116 CG LYS A 8 6.250 -7.675 -11.106 1.00 62.42 C ATOM 117 CD LYS A 8 5.634 -6.807 -12.191 1.00 54.31 C ATOM 118 CE LYS A 8 4.159 -6.548 -11.926 1.00 64.31 C ATOM 119 NZ LYS A 8 3.950 -5.328 -11.097 1.00 3.33 N1+ ATOM 0 H LYS A 8 7.893 -10.197 -11.531 1.00 51.55 H new ATOM 0 HA LYS A 8 7.602 -8.045 -13.364 1.00 1.40 H new ATOM 0 HB2 LYS A 8 8.166 -8.309 -10.400 1.00 74.13 H new ATOM 0 HB3 LYS A 8 8.171 -6.739 -11.178 1.00 74.13 H new ATOM 0 HG2 LYS A 8 5.831 -8.680 -11.161 1.00 62.42 H new ATOM 0 HG3 LYS A 8 5.990 -7.274 -10.126 1.00 62.42 H new ATOM 0 HD2 LYS A 8 6.167 -5.858 -12.246 1.00 54.31 H new ATOM 0 HD3 LYS A 8 5.751 -7.295 -13.159 1.00 54.31 H new ATOM 0 HE2 LYS A 8 3.634 -6.437 -12.875 1.00 64.31 H new ATOM 0 HE3 LYS A 8 3.724 -7.410 -11.420 1.00 64.31 H new ATOM 0 HZ1 LYS A 8 2.932 -5.186 -10.939 1.00 3.33 H new ATOM 0 HZ2 LYS A 8 4.430 -5.444 -10.182 1.00 3.33 H new ATOM 0 HZ3 LYS A 8 4.342 -4.501 -11.591 1.00 3.33 H new ATOM 133 N SER A 9 9.894 -6.693 -13.015 1.00 2.23 N ATOM 134 CA SER A 9 11.228 -6.178 -13.301 1.00 24.10 C ATOM 135 C SER A 9 11.783 -5.410 -12.105 1.00 72.15 C ATOM 136 O SER A 9 11.153 -4.477 -11.606 1.00 12.02 O ATOM 137 CB SER A 9 11.195 -5.271 -14.532 1.00 32.24 C ATOM 138 OG SER A 9 10.099 -4.374 -14.475 1.00 32.31 O ATOM 0 H SER A 9 9.167 -5.979 -12.968 1.00 2.23 H new ATOM 0 HA SER A 9 11.882 -7.027 -13.501 1.00 24.10 H new ATOM 0 HB2 SER A 9 12.126 -4.709 -14.598 1.00 32.24 H new ATOM 0 HB3 SER A 9 11.125 -5.879 -15.434 1.00 32.24 H new ATOM 0 HG SER A 9 9.979 -4.062 -13.554 1.00 32.31 H new ATOM 144 N CYS A 10 12.965 -5.810 -11.649 1.00 31.30 N ATOM 145 CA CYS A 10 13.605 -5.161 -10.512 1.00 0.04 C ATOM 146 C CYS A 10 15.103 -4.994 -10.753 1.00 71.24 C ATOM 147 O CYS A 10 15.672 -5.617 -11.650 1.00 63.40 O ATOM 148 CB CYS A 10 13.370 -5.973 -9.237 1.00 71.41 C ATOM 149 SG CYS A 10 14.332 -7.518 -9.151 1.00 71.51 S ATOM 0 H CYS A 10 13.499 -6.581 -12.050 1.00 31.30 H new ATOM 0 HA CYS A 10 13.162 -4.172 -10.393 1.00 0.04 H new ATOM 0 HB2 CYS A 10 13.618 -5.355 -8.374 1.00 71.41 H new ATOM 0 HB3 CYS A 10 12.309 -6.213 -9.162 1.00 71.41 H new ATOM 154 N VAL A 11 15.737 -4.150 -9.946 1.00 11.35 N ATOM 155 CA VAL A 11 17.168 -3.901 -10.070 1.00 21.30 C ATOM 156 C VAL A 11 17.920 -4.396 -8.840 1.00 12.42 C ATOM 157 O VAL A 11 17.364 -4.518 -7.749 1.00 64.05 O ATOM 158 CB VAL A 11 17.463 -2.402 -10.270 1.00 2.54 C ATOM 159 CG1 VAL A 11 17.168 -1.987 -11.704 1.00 1.43 C ATOM 160 CG2 VAL A 11 16.658 -1.566 -9.288 1.00 21.03 C ATOM 0 H VAL A 11 15.282 -3.626 -9.198 1.00 11.35 H new ATOM 0 HA VAL A 11 17.510 -4.450 -10.947 1.00 21.30 H new ATOM 0 HB VAL A 11 18.522 -2.228 -10.077 1.00 2.54 H new ATOM 0 HG11 VAL A 11 17.382 -0.925 -11.827 1.00 1.43 H new ATOM 0 HG12 VAL A 11 17.793 -2.564 -12.386 1.00 1.43 H new ATOM 0 HG13 VAL A 11 16.118 -2.174 -11.928 1.00 1.43 H new ATOM 0 HG21 VAL A 11 16.878 -0.510 -9.443 1.00 21.03 H new ATOM 0 HG22 VAL A 11 15.594 -1.742 -9.447 1.00 21.03 H new ATOM 0 HG23 VAL A 11 16.923 -1.846 -8.269 1.00 21.03 H new ATOM 170 N PRO A 12 19.218 -4.688 -9.017 1.00 12.43 N ATOM 171 CA PRO A 12 20.075 -5.174 -7.932 1.00 32.44 C ATOM 172 C PRO A 12 20.359 -4.096 -6.890 1.00 74.42 C ATOM 173 O PRO A 12 20.802 -2.998 -7.225 1.00 32.53 O ATOM 174 CB PRO A 12 21.365 -5.575 -8.652 1.00 14.43 C ATOM 175 CG PRO A 12 21.384 -4.741 -9.886 1.00 24.34 C ATOM 176 CD PRO A 12 19.947 -4.566 -10.290 1.00 32.14 C ATOM 0 HA PRO A 12 19.609 -5.989 -7.378 1.00 32.44 H new ATOM 0 HB2 PRO A 12 22.241 -5.384 -8.032 1.00 14.43 H new ATOM 0 HB3 PRO A 12 21.370 -6.638 -8.892 1.00 14.43 H new ATOM 0 HG2 PRO A 12 21.857 -3.777 -9.698 1.00 24.34 H new ATOM 0 HG3 PRO A 12 21.955 -5.227 -10.677 1.00 24.34 H new ATOM 0 HD2 PRO A 12 19.777 -3.597 -10.759 1.00 32.14 H new ATOM 0 HD3 PRO A 12 19.635 -5.326 -11.006 1.00 32.14 H new ATOM 184 N GLY A 13 20.101 -4.418 -5.626 1.00 4.33 N ATOM 185 CA GLY A 13 20.336 -3.466 -4.556 1.00 32.52 C ATOM 186 C GLY A 13 19.049 -2.887 -4.003 1.00 64.23 C ATOM 187 O GLY A 13 19.024 -2.355 -2.894 1.00 14.33 O ATOM 0 H GLY A 13 19.734 -5.320 -5.324 1.00 4.33 H new ATOM 0 HA2 GLY A 13 20.885 -3.956 -3.752 1.00 32.52 H new ATOM 0 HA3 GLY A 13 20.966 -2.657 -4.926 1.00 32.52 H new ATOM 191 N LYS A 14 17.975 -2.987 -4.779 1.00 0.04 N ATOM 192 CA LYS A 14 16.677 -2.469 -4.363 1.00 54.41 C ATOM 193 C LYS A 14 15.860 -3.549 -3.660 1.00 4.00 C ATOM 194 O LYS A 14 15.283 -3.312 -2.600 1.00 23.42 O ATOM 195 CB LYS A 14 15.905 -1.936 -5.572 1.00 54.03 C ATOM 196 CG LYS A 14 16.389 -0.580 -6.054 1.00 64.22 C ATOM 197 CD LYS A 14 15.255 0.239 -6.647 1.00 44.52 C ATOM 198 CE LYS A 14 15.752 1.570 -7.189 1.00 40.23 C ATOM 199 NZ LYS A 14 14.665 2.338 -7.856 1.00 23.42 N1+ ATOM 0 H LYS A 14 17.978 -3.423 -5.701 1.00 0.04 H new ATOM 0 HA LYS A 14 16.848 -1.653 -3.661 1.00 54.41 H new ATOM 0 HB2 LYS A 14 15.987 -2.653 -6.389 1.00 54.03 H new ATOM 0 HB3 LYS A 14 14.848 -1.865 -5.315 1.00 54.03 H new ATOM 0 HG2 LYS A 14 16.836 -0.035 -5.222 1.00 64.22 H new ATOM 0 HG3 LYS A 14 17.170 -0.716 -6.802 1.00 64.22 H new ATOM 0 HD2 LYS A 14 14.777 -0.325 -7.448 1.00 44.52 H new ATOM 0 HD3 LYS A 14 14.496 0.416 -5.885 1.00 44.52 H new ATOM 0 HE2 LYS A 14 16.167 2.162 -6.373 1.00 40.23 H new ATOM 0 HE3 LYS A 14 16.560 1.394 -7.899 1.00 40.23 H new ATOM 0 HZ1 LYS A 14 15.044 3.239 -8.212 1.00 23.42 H new ATOM 0 HZ2 LYS A 14 14.286 1.784 -8.650 1.00 23.42 H new ATOM 0 HZ3 LYS A 14 13.905 2.528 -7.172 1.00 23.42 H new ATOM 213 N ASN A 15 15.818 -4.735 -4.257 1.00 73.20 N ATOM 214 CA ASN A 15 15.072 -5.851 -3.687 1.00 14.34 C ATOM 215 C ASN A 15 13.598 -5.493 -3.522 1.00 64.14 C ATOM 216 O ASN A 15 13.004 -5.741 -2.474 1.00 51.44 O ATOM 217 CB ASN A 15 15.667 -6.251 -2.335 1.00 54.45 C ATOM 218 CG ASN A 15 15.411 -7.708 -2.000 1.00 41.41 C ATOM 219 OD1 ASN A 15 15.032 -8.499 -2.864 1.00 64.21 O ATOM 220 ND2 ASN A 15 15.617 -8.069 -0.738 1.00 32.42 N ATOM 0 H ASN A 15 16.291 -4.948 -5.135 1.00 73.20 H new ATOM 0 HA ASN A 15 15.147 -6.695 -4.373 1.00 14.34 H new ATOM 0 HB2 ASN A 15 16.741 -6.066 -2.345 1.00 54.45 H new ATOM 0 HB3 ASN A 15 15.242 -5.621 -1.553 1.00 54.45 H new ATOM 0 HD21 ASN A 15 15.461 -9.036 -0.452 1.00 32.42 H new ATOM 0 HD22 ASN A 15 15.931 -7.380 -0.055 1.00 32.42 H new ATOM 227 N GLU A 16 13.016 -4.910 -4.565 1.00 32.33 N ATOM 228 CA GLU A 16 11.613 -4.518 -4.534 1.00 13.41 C ATOM 229 C GLU A 16 10.710 -5.738 -4.374 1.00 64.50 C ATOM 230 O GLU A 16 9.577 -5.628 -3.905 1.00 74.33 O ATOM 231 CB GLU A 16 11.243 -3.760 -5.812 1.00 71.25 C ATOM 232 CG GLU A 16 12.186 -2.613 -6.133 1.00 14.43 C ATOM 233 CD GLU A 16 12.120 -1.499 -5.105 1.00 4.31 C ATOM 234 OE1 GLU A 16 11.300 -0.574 -5.282 1.00 53.21 O ATOM 235 OE2 GLU A 16 12.890 -1.555 -4.122 1.00 72.13 O1- ATOM 0 H GLU A 16 13.494 -4.699 -5.441 1.00 32.33 H new ATOM 0 HA GLU A 16 11.465 -3.863 -3.676 1.00 13.41 H new ATOM 0 HB2 GLU A 16 11.235 -4.458 -6.649 1.00 71.25 H new ATOM 0 HB3 GLU A 16 10.230 -3.370 -5.713 1.00 71.25 H new ATOM 0 HG2 GLU A 16 13.207 -2.991 -6.189 1.00 14.43 H new ATOM 0 HG3 GLU A 16 11.941 -2.210 -7.116 1.00 14.43 H new ATOM 242 N CYS A 17 11.220 -6.899 -4.768 1.00 11.40 N ATOM 243 CA CYS A 17 10.462 -8.141 -4.670 1.00 22.31 C ATOM 244 C CYS A 17 9.909 -8.331 -3.261 1.00 74.41 C ATOM 245 O CYS A 17 10.356 -7.683 -2.314 1.00 72.35 O ATOM 246 CB CYS A 17 11.345 -9.333 -5.049 1.00 4.44 C ATOM 247 SG CYS A 17 11.950 -9.295 -6.766 1.00 32.42 S ATOM 0 H CYS A 17 12.156 -7.006 -5.159 1.00 11.40 H new ATOM 0 HA CYS A 17 9.624 -8.082 -5.365 1.00 22.31 H new ATOM 0 HB2 CYS A 17 12.201 -9.366 -4.374 1.00 4.44 H new ATOM 0 HB3 CYS A 17 10.781 -10.253 -4.894 1.00 4.44 H new ATOM 252 N CYS A 18 8.934 -9.223 -3.130 1.00 55.14 N ATOM 253 CA CYS A 18 8.317 -9.499 -1.838 1.00 24.25 C ATOM 254 C CYS A 18 9.224 -10.376 -0.980 1.00 71.35 C ATOM 255 O CYS A 18 10.256 -10.862 -1.443 1.00 42.53 O ATOM 256 CB CYS A 18 6.963 -10.182 -2.031 1.00 74.34 C ATOM 257 SG CYS A 18 5.701 -9.126 -2.812 1.00 70.23 S ATOM 0 H CYS A 18 8.553 -9.768 -3.904 1.00 55.14 H new ATOM 0 HA CYS A 18 8.166 -8.549 -1.325 1.00 24.25 H new ATOM 0 HB2 CYS A 18 7.102 -11.075 -2.641 1.00 74.34 H new ATOM 0 HB3 CYS A 18 6.594 -10.513 -1.060 1.00 74.34 H new ATOM 262 N SER A 19 8.831 -10.576 0.275 1.00 22.25 N ATOM 263 CA SER A 19 9.610 -11.392 1.199 1.00 43.45 C ATOM 264 C SER A 19 9.672 -12.841 0.725 1.00 70.33 C ATOM 265 O SER A 19 8.643 -13.482 0.514 1.00 11.24 O ATOM 266 CB SER A 19 9.003 -11.329 2.603 1.00 33.12 C ATOM 267 OG SER A 19 9.795 -12.048 3.533 1.00 24.23 O ATOM 0 H SER A 19 7.978 -10.184 0.674 1.00 22.25 H new ATOM 0 HA SER A 19 10.624 -10.994 1.230 1.00 43.45 H new ATOM 0 HB2 SER A 19 8.918 -10.289 2.920 1.00 33.12 H new ATOM 0 HB3 SER A 19 7.994 -11.740 2.585 1.00 33.12 H new ATOM 0 HG SER A 19 9.387 -11.991 4.422 1.00 24.23 H new ATOM 273 N GLY A 20 10.889 -13.351 0.560 1.00 54.32 N ATOM 274 CA GLY A 20 11.065 -14.720 0.111 1.00 63.31 C ATOM 275 C GLY A 20 11.453 -14.806 -1.352 1.00 44.33 C ATOM 276 O GLY A 20 11.442 -15.886 -1.941 1.00 41.02 O ATOM 0 H GLY A 20 11.756 -12.841 0.729 1.00 54.32 H new ATOM 0 HA2 GLY A 20 11.833 -15.201 0.716 1.00 63.31 H new ATOM 0 HA3 GLY A 20 10.140 -15.273 0.271 1.00 63.31 H new ATOM 280 N TYR A 21 11.796 -13.664 -1.939 1.00 22.43 N ATOM 281 CA TYR A 21 12.185 -13.615 -3.343 1.00 33.31 C ATOM 282 C TYR A 21 13.530 -12.914 -3.511 1.00 73.24 C ATOM 283 O TYR A 21 13.865 -12.001 -2.756 1.00 45.31 O ATOM 284 CB TYR A 21 11.115 -12.893 -4.165 1.00 52.44 C ATOM 285 CG TYR A 21 9.807 -13.645 -4.249 1.00 32.41 C ATOM 286 CD1 TYR A 21 8.993 -13.791 -3.134 1.00 11.45 C ATOM 287 CD2 TYR A 21 9.383 -14.209 -5.447 1.00 74.25 C ATOM 288 CE1 TYR A 21 7.797 -14.478 -3.206 1.00 3.33 C ATOM 289 CE2 TYR A 21 8.188 -14.896 -5.529 1.00 54.23 C ATOM 290 CZ TYR A 21 7.399 -15.029 -4.406 1.00 12.33 C ATOM 291 OH TYR A 21 6.207 -15.712 -4.484 1.00 53.32 O ATOM 0 H TYR A 21 11.812 -12.761 -1.465 1.00 22.43 H new ATOM 0 HA TYR A 21 12.282 -14.639 -3.703 1.00 33.31 H new ATOM 0 HB2 TYR A 21 10.933 -11.912 -3.727 1.00 52.44 H new ATOM 0 HB3 TYR A 21 11.494 -12.726 -5.173 1.00 52.44 H new ATOM 0 HD1 TYR A 21 9.301 -13.359 -2.193 1.00 11.45 H new ATOM 0 HD2 TYR A 21 9.999 -14.108 -6.328 1.00 74.25 H new ATOM 0 HE1 TYR A 21 7.177 -14.583 -2.328 1.00 3.33 H new ATOM 0 HE2 TYR A 21 7.873 -15.327 -6.468 1.00 54.23 H new ATOM 0 HH TYR A 21 6.075 -16.036 -5.399 1.00 53.32 H new ATOM 301 N ALA A 22 14.295 -13.349 -4.506 1.00 51.33 N ATOM 302 CA ALA A 22 15.603 -12.763 -4.776 1.00 3.12 C ATOM 303 C ALA A 22 15.588 -11.962 -6.073 1.00 1.44 C ATOM 304 O ALA A 22 14.658 -12.073 -6.873 1.00 35.51 O ATOM 305 CB ALA A 22 16.665 -13.850 -4.837 1.00 41.01 C ATOM 0 H ALA A 22 14.032 -14.105 -5.139 1.00 51.33 H new ATOM 0 HA ALA A 22 15.844 -12.080 -3.961 1.00 3.12 H new ATOM 0 HB1 ALA A 22 17.636 -13.399 -5.039 1.00 41.01 H new ATOM 0 HB2 ALA A 22 16.701 -14.377 -3.884 1.00 41.01 H new ATOM 0 HB3 ALA A 22 16.420 -14.554 -5.632 1.00 41.01 H new ATOM 311 N CYS A 23 16.622 -11.153 -6.275 1.00 21.01 N ATOM 312 CA CYS A 23 16.729 -10.330 -7.475 1.00 23.22 C ATOM 313 C CYS A 23 17.938 -10.741 -8.310 1.00 64.21 C ATOM 314 O CYS A 23 19.028 -10.959 -7.779 1.00 75.42 O ATOM 315 CB CYS A 23 16.834 -8.852 -7.097 1.00 63.31 C ATOM 316 SG CYS A 23 15.281 -7.922 -7.298 1.00 53.32 S ATOM 0 H CYS A 23 17.399 -11.049 -5.623 1.00 21.01 H new ATOM 0 HA CYS A 23 15.829 -10.482 -8.072 1.00 23.22 H new ATOM 0 HB2 CYS A 23 17.159 -8.775 -6.060 1.00 63.31 H new ATOM 0 HB3 CYS A 23 17.606 -8.385 -7.708 1.00 63.31 H new ATOM 321 N SER A 24 17.738 -10.844 -9.620 1.00 62.22 N ATOM 322 CA SER A 24 18.811 -11.231 -10.529 1.00 42.32 C ATOM 323 C SER A 24 19.124 -10.106 -11.509 1.00 4.53 C ATOM 324 O SER A 24 18.308 -9.769 -12.366 1.00 35.33 O ATOM 325 CB SER A 24 18.425 -12.498 -11.295 1.00 23.52 C ATOM 326 OG SER A 24 19.424 -13.495 -11.165 1.00 60.13 O ATOM 0 H SER A 24 16.843 -10.665 -10.076 1.00 62.22 H new ATOM 0 HA SER A 24 19.703 -11.431 -9.936 1.00 42.32 H new ATOM 0 HB2 SER A 24 17.475 -12.879 -10.920 1.00 23.52 H new ATOM 0 HB3 SER A 24 18.279 -12.260 -12.349 1.00 23.52 H new ATOM 0 HG SER A 24 19.154 -14.296 -11.662 1.00 60.13 H new ATOM 332 N SER A 25 20.314 -9.528 -11.376 1.00 53.21 N ATOM 333 CA SER A 25 20.736 -8.437 -12.248 1.00 62.51 C ATOM 334 C SER A 25 21.022 -8.947 -13.656 1.00 52.10 C ATOM 335 O SER A 25 20.990 -8.185 -14.623 1.00 0.11 O ATOM 336 CB SER A 25 21.981 -7.754 -11.677 1.00 3.21 C ATOM 337 OG SER A 25 22.376 -6.659 -12.485 1.00 24.10 O ATOM 0 H SER A 25 21.003 -9.797 -10.673 1.00 53.21 H new ATOM 0 HA SER A 25 19.924 -7.712 -12.302 1.00 62.51 H new ATOM 0 HB2 SER A 25 21.778 -7.408 -10.664 1.00 3.21 H new ATOM 0 HB3 SER A 25 22.797 -8.474 -11.610 1.00 3.21 H new ATOM 0 HG SER A 25 23.255 -6.338 -12.194 1.00 24.10 H new ATOM 343 N ARG A 26 21.302 -10.241 -13.765 1.00 62.31 N ATOM 344 CA ARG A 26 21.596 -10.855 -15.055 1.00 24.03 C ATOM 345 C ARG A 26 20.505 -10.530 -16.071 1.00 71.54 C ATOM 346 O ARG A 26 20.792 -10.129 -17.199 1.00 33.12 O ATOM 347 CB ARG A 26 21.733 -12.371 -14.904 1.00 32.33 C ATOM 348 CG ARG A 26 22.618 -13.010 -15.961 1.00 34.31 C ATOM 349 CD ARG A 26 24.093 -12.853 -15.623 1.00 74.15 C ATOM 350 NE ARG A 26 24.930 -13.777 -16.384 1.00 34.12 N ATOM 351 CZ ARG A 26 26.256 -13.802 -16.304 1.00 62.23 C ATOM 352 NH1 ARG A 26 26.891 -12.959 -15.500 1.00 4.20 N1+ ATOM 353 NH2 ARG A 26 26.949 -14.671 -17.027 1.00 25.53 N ATOM 0 H ARG A 26 21.332 -10.886 -12.975 1.00 62.31 H new ATOM 0 HA ARG A 26 22.540 -10.447 -15.417 1.00 24.03 H new ATOM 0 HB2 ARG A 26 22.140 -12.594 -13.918 1.00 32.33 H new ATOM 0 HB3 ARG A 26 20.742 -12.823 -14.950 1.00 32.33 H new ATOM 0 HG2 ARG A 26 22.375 -14.069 -16.049 1.00 34.31 H new ATOM 0 HG3 ARG A 26 22.415 -12.555 -16.930 1.00 34.31 H new ATOM 0 HD2 ARG A 26 24.405 -11.829 -15.828 1.00 74.15 H new ATOM 0 HD3 ARG A 26 24.241 -13.024 -14.557 1.00 74.15 H new ATOM 0 HE ARG A 26 24.472 -14.439 -17.011 1.00 34.12 H new ATOM 0 HH11 ARG A 26 26.361 -12.290 -14.942 1.00 4.20 H new ATOM 0 HH12 ARG A 26 27.909 -12.980 -15.440 1.00 4.20 H new ATOM 0 HH21 ARG A 26 26.464 -15.321 -17.645 1.00 25.53 H new ATOM 0 HH22 ARG A 26 27.967 -14.689 -16.965 1.00 25.53 H new ATOM 367 N ASP A 27 19.253 -10.708 -15.664 1.00 53.53 N ATOM 368 CA ASP A 27 18.118 -10.434 -16.538 1.00 64.32 C ATOM 369 C ASP A 27 17.273 -9.289 -15.989 1.00 51.53 C ATOM 370 O ASP A 27 16.284 -8.883 -16.601 1.00 70.30 O ATOM 371 CB ASP A 27 17.258 -11.688 -16.700 1.00 24.43 C ATOM 372 CG ASP A 27 17.358 -12.283 -18.092 1.00 71.42 C ATOM 373 OD1 ASP A 27 18.491 -12.419 -18.598 1.00 61.54 O ATOM 374 OD2 ASP A 27 16.303 -12.613 -18.673 1.00 34.43 O1- ATOM 0 H ASP A 27 18.998 -11.041 -14.734 1.00 53.53 H new ATOM 0 HA ASP A 27 18.505 -10.140 -17.514 1.00 64.32 H new ATOM 0 HB2 ASP A 27 17.566 -12.433 -15.966 1.00 24.43 H new ATOM 0 HB3 ASP A 27 16.218 -11.442 -16.487 1.00 24.43 H new ATOM 379 N LYS A 28 17.666 -8.773 -14.829 1.00 24.22 N ATOM 380 CA LYS A 28 16.945 -7.676 -14.196 1.00 42.13 C ATOM 381 C LYS A 28 15.493 -8.058 -13.934 1.00 72.43 C ATOM 382 O LYS A 28 14.572 -7.340 -14.325 1.00 12.12 O ATOM 383 CB LYS A 28 17.004 -6.425 -15.076 1.00 42.20 C ATOM 384 CG LYS A 28 18.336 -5.698 -15.013 1.00 61.11 C ATOM 385 CD LYS A 28 18.173 -4.211 -15.280 1.00 63.24 C ATOM 386 CE LYS A 28 17.602 -3.953 -16.665 1.00 34.52 C ATOM 387 NZ LYS A 28 18.081 -2.661 -17.230 1.00 25.10 N1+ ATOM 0 H LYS A 28 18.481 -9.098 -14.308 1.00 24.22 H new ATOM 0 HA LYS A 28 17.424 -7.464 -13.240 1.00 42.13 H new ATOM 0 HB2 LYS A 28 16.803 -6.708 -16.109 1.00 42.20 H new ATOM 0 HB3 LYS A 28 16.212 -5.741 -14.773 1.00 42.20 H new ATOM 0 HG2 LYS A 28 18.786 -5.845 -14.031 1.00 61.11 H new ATOM 0 HG3 LYS A 28 19.021 -6.127 -15.745 1.00 61.11 H new ATOM 0 HD2 LYS A 28 17.516 -3.775 -14.527 1.00 63.24 H new ATOM 0 HD3 LYS A 28 19.139 -3.715 -15.185 1.00 63.24 H new ATOM 0 HE2 LYS A 28 17.884 -4.768 -17.332 1.00 34.52 H new ATOM 0 HE3 LYS A 28 16.513 -3.946 -16.613 1.00 34.52 H new ATOM 0 HZ1 LYS A 28 17.670 -2.522 -18.175 1.00 25.10 H new ATOM 0 HZ2 LYS A 28 17.790 -1.881 -16.607 1.00 25.10 H new ATOM 0 HZ3 LYS A 28 19.118 -2.677 -17.303 1.00 25.10 H new ATOM 401 N TRP A 29 15.294 -9.190 -13.269 1.00 31.41 N ATOM 402 CA TRP A 29 13.953 -9.667 -12.952 1.00 42.43 C ATOM 403 C TRP A 29 13.886 -10.200 -11.526 1.00 31.51 C ATOM 404 O TRP A 29 14.854 -10.106 -10.771 1.00 3.13 O ATOM 405 CB TRP A 29 13.532 -10.758 -13.939 1.00 32.13 C ATOM 406 CG TRP A 29 14.522 -11.878 -14.043 1.00 73.24 C ATOM 407 CD1 TRP A 29 15.531 -12.164 -13.168 1.00 40.14 C ATOM 408 CD2 TRP A 29 14.598 -12.861 -15.082 1.00 44.13 C ATOM 409 NE1 TRP A 29 16.230 -13.265 -13.601 1.00 31.43 N ATOM 410 CE2 TRP A 29 15.677 -13.711 -14.772 1.00 72.32 C ATOM 411 CE3 TRP A 29 13.859 -13.105 -16.243 1.00 30.31 C ATOM 412 CZ2 TRP A 29 16.033 -14.786 -15.583 1.00 63.02 C ATOM 413 CZ3 TRP A 29 14.214 -14.172 -17.046 1.00 21.22 C ATOM 414 CH2 TRP A 29 15.292 -15.002 -16.713 1.00 64.04 C ATOM 0 H TRP A 29 16.045 -9.795 -12.938 1.00 31.41 H new ATOM 0 HA TRP A 29 13.266 -8.825 -13.036 1.00 42.43 H new ATOM 0 HB2 TRP A 29 12.567 -11.162 -13.633 1.00 32.13 H new ATOM 0 HB3 TRP A 29 13.393 -10.313 -14.924 1.00 32.13 H new ATOM 0 HD1 TRP A 29 15.748 -11.607 -12.268 1.00 40.14 H new ATOM 0 HE1 TRP A 29 17.031 -13.682 -13.127 1.00 31.43 H new ATOM 0 HE3 TRP A 29 13.026 -12.471 -16.508 1.00 30.31 H new ATOM 0 HZ2 TRP A 29 16.865 -15.427 -15.329 1.00 63.02 H new ATOM 0 HZ3 TRP A 29 13.651 -14.369 -17.946 1.00 21.22 H new ATOM 0 HH2 TRP A 29 15.543 -15.829 -17.361 1.00 64.04 H new ATOM 425 N CYS A 30 12.737 -10.761 -11.162 1.00 44.54 N ATOM 426 CA CYS A 30 12.544 -11.309 -9.824 1.00 1.53 C ATOM 427 C CYS A 30 12.850 -12.804 -9.801 1.00 31.32 C ATOM 428 O CYS A 30 12.982 -13.439 -10.847 1.00 74.25 O ATOM 429 CB CYS A 30 11.110 -11.062 -9.351 1.00 64.32 C ATOM 430 SG CYS A 30 10.873 -9.472 -8.495 1.00 55.01 S ATOM 0 H CYS A 30 11.926 -10.848 -11.774 1.00 44.54 H new ATOM 0 HA CYS A 30 13.234 -10.804 -9.147 1.00 1.53 H new ATOM 0 HB2 CYS A 30 10.443 -11.102 -10.212 1.00 64.32 H new ATOM 0 HB3 CYS A 30 10.815 -11.870 -8.682 1.00 64.32 H new ATOM 435 N LYS A 31 12.960 -13.360 -8.598 1.00 1.34 N ATOM 436 CA LYS A 31 13.248 -14.780 -8.436 1.00 53.31 C ATOM 437 C LYS A 31 12.502 -15.353 -7.235 1.00 30.41 C ATOM 438 O LYS A 31 12.237 -14.647 -6.262 1.00 2.12 O ATOM 439 CB LYS A 31 14.754 -15.001 -8.267 1.00 64.22 C ATOM 440 CG LYS A 31 15.592 -14.306 -9.326 1.00 62.34 C ATOM 441 CD LYS A 31 15.439 -14.971 -10.684 1.00 21.52 C ATOM 442 CE LYS A 31 16.649 -15.826 -11.025 1.00 41.12 C ATOM 443 NZ LYS A 31 16.414 -17.265 -10.728 1.00 11.43 N1+ ATOM 0 H LYS A 31 12.854 -12.848 -7.722 1.00 1.34 H new ATOM 0 HA LYS A 31 12.909 -15.298 -9.333 1.00 53.31 H new ATOM 0 HB2 LYS A 31 15.057 -14.643 -7.283 1.00 64.22 H new ATOM 0 HB3 LYS A 31 14.961 -16.071 -8.295 1.00 64.22 H new ATOM 0 HG2 LYS A 31 15.295 -13.260 -9.397 1.00 62.34 H new ATOM 0 HG3 LYS A 31 16.641 -14.321 -9.029 1.00 62.34 H new ATOM 0 HD2 LYS A 31 14.542 -15.590 -10.688 1.00 21.52 H new ATOM 0 HD3 LYS A 31 15.303 -14.208 -11.451 1.00 21.52 H new ATOM 0 HE2 LYS A 31 16.890 -15.708 -12.081 1.00 41.12 H new ATOM 0 HE3 LYS A 31 17.512 -15.475 -10.460 1.00 41.12 H new ATOM 0 HZ1 LYS A 31 17.263 -17.813 -10.974 1.00 11.43 H new ATOM 0 HZ2 LYS A 31 16.209 -17.381 -9.715 1.00 11.43 H new ATOM 0 HZ3 LYS A 31 15.606 -17.607 -11.287 1.00 11.43 H new ATOM 457 N VAL A 32 12.166 -16.637 -7.310 1.00 34.04 N ATOM 458 CA VAL A 32 11.453 -17.305 -6.227 1.00 65.25 C ATOM 459 C VAL A 32 12.134 -18.613 -5.846 1.00 2.32 C ATOM 460 O VAL A 32 12.471 -19.425 -6.709 1.00 22.20 O ATOM 461 CB VAL A 32 9.990 -17.594 -6.614 1.00 73.43 C ATOM 462 CG1 VAL A 32 9.929 -18.543 -7.801 1.00 11.10 C ATOM 463 CG2 VAL A 32 9.228 -18.161 -5.425 1.00 60.31 C ATOM 0 H VAL A 32 12.376 -17.235 -8.109 1.00 34.04 H new ATOM 0 HA VAL A 32 11.469 -16.629 -5.372 1.00 65.25 H new ATOM 0 HB VAL A 32 9.516 -16.657 -6.906 1.00 73.43 H new ATOM 0 HG11 VAL A 32 8.888 -18.735 -8.060 1.00 11.10 H new ATOM 0 HG12 VAL A 32 10.438 -18.093 -8.653 1.00 11.10 H new ATOM 0 HG13 VAL A 32 10.418 -19.482 -7.542 1.00 11.10 H new ATOM 0 HG21 VAL A 32 8.196 -18.360 -5.715 1.00 60.31 H new ATOM 0 HG22 VAL A 32 9.699 -19.089 -5.100 1.00 60.31 H new ATOM 0 HG23 VAL A 32 9.243 -17.441 -4.607 1.00 60.31 H new ATOM 473 N LEU A 33 12.336 -18.813 -4.548 1.00 35.50 N ATOM 474 CA LEU A 33 12.977 -20.025 -4.051 1.00 75.13 C ATOM 475 C LEU A 33 12.044 -21.225 -4.176 1.00 13.13 C ATOM 476 O LEU A 33 10.866 -21.151 -3.824 1.00 43.41 O ATOM 477 CB LEU A 33 13.396 -19.842 -2.591 1.00 4.12 C ATOM 478 CG LEU A 33 14.349 -18.679 -2.307 1.00 42.40 C ATOM 479 CD1 LEU A 33 14.167 -18.175 -0.884 1.00 61.02 C ATOM 480 CD2 LEU A 33 15.791 -19.102 -2.545 1.00 62.44 C ATOM 0 H LEU A 33 12.065 -18.151 -3.821 1.00 35.50 H new ATOM 0 HA LEU A 33 13.863 -20.212 -4.657 1.00 75.13 H new ATOM 0 HB2 LEU A 33 12.497 -19.704 -1.990 1.00 4.12 H new ATOM 0 HB3 LEU A 33 13.868 -20.764 -2.251 1.00 4.12 H new ATOM 0 HG LEU A 33 14.112 -17.864 -2.992 1.00 42.40 H new ATOM 0 HD11 LEU A 33 14.853 -17.348 -0.700 1.00 61.02 H new ATOM 0 HD12 LEU A 33 13.141 -17.833 -0.748 1.00 61.02 H new ATOM 0 HD13 LEU A 33 14.376 -18.983 -0.182 1.00 61.02 H new ATOM 0 HD21 LEU A 33 16.455 -18.263 -2.338 1.00 62.44 H new ATOM 0 HD22 LEU A 33 16.040 -19.933 -1.885 1.00 62.44 H new ATOM 0 HD23 LEU A 33 15.912 -19.414 -3.582 1.00 62.44 H new ATOM 492 N LEU A 34 12.579 -22.333 -4.678 1.00 44.45 N ATOM 493 CA LEU A 34 11.796 -23.552 -4.849 1.00 44.30 C ATOM 494 C LEU A 34 12.051 -24.527 -3.704 1.00 65.04 C ATOM 495 O LEU A 34 13.184 -24.684 -3.250 1.00 62.12 O ATOM 496 CB LEU A 34 12.133 -24.216 -6.185 1.00 14.40 C ATOM 497 CG LEU A 34 11.603 -23.515 -7.436 1.00 53.30 C ATOM 498 CD1 LEU A 34 12.416 -23.914 -8.657 1.00 21.23 C ATOM 499 CD2 LEU A 34 10.130 -23.836 -7.645 1.00 1.13 C ATOM 0 H LEU A 34 13.552 -22.412 -4.974 1.00 44.45 H new ATOM 0 HA LEU A 34 10.740 -23.280 -4.843 1.00 44.30 H new ATOM 0 HB2 LEU A 34 13.217 -24.291 -6.267 1.00 14.40 H new ATOM 0 HB3 LEU A 34 11.743 -25.234 -6.171 1.00 14.40 H new ATOM 0 HG LEU A 34 11.703 -22.439 -7.295 1.00 53.30 H new ATOM 0 HD11 LEU A 34 12.024 -23.405 -9.537 1.00 21.23 H new ATOM 0 HD12 LEU A 34 13.458 -23.631 -8.509 1.00 21.23 H new ATOM 0 HD13 LEU A 34 12.350 -24.992 -8.802 1.00 21.23 H new ATOM 0 HD21 LEU A 34 9.770 -23.328 -8.540 1.00 1.13 H new ATOM 0 HD22 LEU A 34 10.005 -24.912 -7.764 1.00 1.13 H new ATOM 0 HD23 LEU A 34 9.558 -23.498 -6.781 1.00 1.13 H new TER 511 LEU A 34