USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 249 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 ASP N :NH3+ -122:sc= 0.103 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -0.0103 (180deg=-0.215) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= -0.0268 (180deg=-0.192) USER MOD Single : A 24 SER OG : rot 180:sc= 0.062 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.073) USER MOD Single : A 27 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.17) USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= -0.0252 (180deg=-0.225) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -11.227 -3.413 -0.046 1.00 0.00 N ATOM 2 CA ASP A 1 -10.371 -4.264 -0.892 1.00 0.00 C ATOM 3 C ASP A 1 -8.993 -3.659 -0.973 1.00 0.00 C ATOM 4 O ASP A 1 -8.848 -2.433 -0.989 1.00 0.00 O ATOM 5 CB ASP A 1 -10.971 -4.467 -2.295 1.00 0.00 C ATOM 6 CG ASP A 1 -11.175 -3.186 -3.066 1.00 0.00 C ATOM 7 OD1 ASP A 1 -12.110 -2.427 -2.740 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.430 -2.920 -4.022 1.00 0.00 O ATOM 0 H1 ASP A 1 -11.596 -3.973 0.749 1.00 0.00 H new ATOM 0 H2 ASP A 1 -10.669 -2.616 0.322 1.00 0.00 H new ATOM 0 H3 ASP A 1 -12.021 -3.049 -0.611 1.00 0.00 H new ATOM 0 HA ASP A 1 -10.305 -5.252 -0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -10.316 -5.123 -2.868 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -11.929 -4.978 -2.199 1.00 0.00 H new ATOM 15 N CYS A 2 -7.988 -4.497 -1.027 1.00 0.00 N ATOM 16 CA CYS A 2 -6.627 -4.028 -0.955 1.00 0.00 C ATOM 17 C CYS A 2 -6.029 -3.710 -2.321 1.00 0.00 C ATOM 18 O CYS A 2 -6.599 -4.046 -3.374 1.00 0.00 O ATOM 19 CB CYS A 2 -5.745 -5.001 -0.147 1.00 0.00 C ATOM 20 SG CYS A 2 -5.723 -6.728 -0.742 1.00 0.00 S ATOM 0 H CYS A 2 -8.087 -5.508 -1.121 1.00 0.00 H new ATOM 0 HA CYS A 2 -6.652 -3.079 -0.420 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -4.723 -4.622 -0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -6.085 -4.997 0.888 1.00 0.00 H new ATOM 25 N LEU A 3 -4.921 -3.014 -2.288 1.00 0.00 N ATOM 26 CA LEU A 3 -4.190 -2.618 -3.463 1.00 0.00 C ATOM 27 C LEU A 3 -3.174 -3.686 -3.799 1.00 0.00 C ATOM 28 O LEU A 3 -2.613 -4.326 -2.893 1.00 0.00 O ATOM 29 CB LEU A 3 -3.475 -1.303 -3.193 1.00 0.00 C ATOM 30 CG LEU A 3 -4.348 -0.151 -2.721 1.00 0.00 C ATOM 31 CD1 LEU A 3 -3.495 1.045 -2.348 1.00 0.00 C ATOM 32 CD2 LEU A 3 -5.347 0.226 -3.784 1.00 0.00 C ATOM 0 H LEU A 3 -4.491 -2.699 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.877 -2.491 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.705 -1.479 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.966 -0.996 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.894 -0.475 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.137 1.859 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.811 0.768 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.922 1.369 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.963 1.052 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.819 0.530 -4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.983 -0.631 -4.006 1.00 0.00 H new ATOM 44 N LYS A 4 -2.926 -3.862 -5.073 1.00 0.00 N ATOM 45 CA LYS A 4 -2.034 -4.897 -5.550 1.00 0.00 C ATOM 46 C LYS A 4 -0.607 -4.382 -5.678 1.00 0.00 C ATOM 47 O LYS A 4 -0.329 -3.198 -5.443 1.00 0.00 O ATOM 48 CB LYS A 4 -2.514 -5.426 -6.896 1.00 0.00 C ATOM 49 CG LYS A 4 -3.919 -5.999 -6.879 1.00 0.00 C ATOM 50 CD LYS A 4 -4.305 -6.583 -8.231 1.00 0.00 C ATOM 51 CE LYS A 4 -3.458 -7.800 -8.600 1.00 0.00 C ATOM 52 NZ LYS A 4 -3.582 -8.897 -7.609 1.00 0.00 N ATOM 0 H LYS A 4 -3.336 -3.292 -5.813 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.041 -5.706 -4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.473 -4.618 -7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.824 -6.198 -7.236 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.987 -6.774 -6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.628 -5.218 -6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.357 -6.867 -8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.193 -5.819 -9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.760 -8.165 -9.582 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.413 -7.501 -8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.175 -9.769 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.072 -8.639 -6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.586 -9.053 -7.388 1.00 0.00 H new ATOM 66 N PHE A 5 0.287 -5.267 -6.058 1.00 0.00 N ATOM 67 CA PHE A 5 1.691 -4.946 -6.207 1.00 0.00 C ATOM 68 C PHE A 5 1.889 -3.961 -7.347 1.00 0.00 C ATOM 69 O PHE A 5 1.514 -4.241 -8.495 1.00 0.00 O ATOM 70 CB PHE A 5 2.514 -6.223 -6.452 1.00 0.00 C ATOM 71 CG PHE A 5 3.995 -5.980 -6.579 1.00 0.00 C ATOM 72 CD1 PHE A 5 4.769 -5.807 -5.454 1.00 0.00 C ATOM 73 CD2 PHE A 5 4.603 -5.912 -7.822 1.00 0.00 C ATOM 74 CE1 PHE A 5 6.122 -5.572 -5.555 1.00 0.00 C ATOM 75 CE2 PHE A 5 5.957 -5.675 -7.930 1.00 0.00 C ATOM 76 CZ PHE A 5 6.718 -5.506 -6.793 1.00 0.00 C ATOM 0 H PHE A 5 0.060 -6.238 -6.274 1.00 0.00 H new ATOM 0 HA PHE A 5 2.040 -4.484 -5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.339 -6.919 -5.632 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.156 -6.705 -7.361 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.309 -5.856 -4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.011 -6.046 -8.715 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.715 -5.440 -4.662 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.421 -5.622 -8.904 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.779 -5.322 -6.874 1.00 0.00 H new ATOM 86 N GLY A 6 2.450 -2.818 -7.032 1.00 0.00 N ATOM 87 CA GLY A 6 2.694 -1.817 -8.037 1.00 0.00 C ATOM 88 C GLY A 6 1.594 -0.784 -8.098 1.00 0.00 C ATOM 89 O GLY A 6 1.617 0.118 -8.943 1.00 0.00 O ATOM 0 H GLY A 6 2.745 -2.560 -6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.643 -1.322 -7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 6 2.791 -2.299 -9.010 1.00 0.00 H new ATOM 93 N TRP A 7 0.628 -0.894 -7.219 1.00 0.00 N ATOM 94 CA TRP A 7 -0.455 0.066 -7.192 1.00 0.00 C ATOM 95 C TRP A 7 -0.068 1.221 -6.316 1.00 0.00 C ATOM 96 O TRP A 7 0.659 1.032 -5.339 1.00 0.00 O ATOM 97 CB TRP A 7 -1.760 -0.577 -6.716 1.00 0.00 C ATOM 98 CG TRP A 7 -2.398 -1.499 -7.725 1.00 0.00 C ATOM 99 CD1 TRP A 7 -1.775 -2.236 -8.696 1.00 0.00 C ATOM 100 CD2 TRP A 7 -3.791 -1.790 -7.842 1.00 0.00 C ATOM 101 NE1 TRP A 7 -2.700 -2.945 -9.413 1.00 0.00 N ATOM 102 CE2 TRP A 7 -3.943 -2.692 -8.909 1.00 0.00 C ATOM 103 CE3 TRP A 7 -4.924 -1.372 -7.150 1.00 0.00 C ATOM 104 CZ2 TRP A 7 -5.183 -3.179 -9.298 1.00 0.00 C ATOM 105 CZ3 TRP A 7 -6.151 -1.858 -7.536 1.00 0.00 C ATOM 106 CH2 TRP A 7 -6.273 -2.752 -8.601 1.00 0.00 C ATOM 0 H TRP A 7 0.567 -1.631 -6.517 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.632 0.428 -8.205 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.564 -1.137 -5.802 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.469 0.211 -6.461 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.709 -2.255 -8.871 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.494 -3.563 -10.198 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.841 -0.679 -6.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.280 -3.870 -10.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -7.037 -1.542 -7.005 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -7.252 -3.113 -8.878 1.00 0.00 H new ATOM 117 N LYS A 8 -0.494 2.409 -6.681 1.00 0.00 N ATOM 118 CA LYS A 8 -0.166 3.575 -5.910 1.00 0.00 C ATOM 119 C LYS A 8 -0.973 3.664 -4.663 1.00 0.00 C ATOM 120 O LYS A 8 -2.074 3.090 -4.561 1.00 0.00 O ATOM 121 CB LYS A 8 -0.303 4.873 -6.672 1.00 0.00 C ATOM 122 CG LYS A 8 0.710 5.086 -7.767 1.00 0.00 C ATOM 123 CD LYS A 8 0.894 6.573 -8.003 1.00 0.00 C ATOM 124 CE LYS A 8 -0.404 7.261 -8.403 1.00 0.00 C ATOM 125 NZ LYS A 8 -0.236 8.719 -8.506 1.00 0.00 N ATOM 0 H LYS A 8 -1.067 2.588 -7.506 1.00 0.00 H new ATOM 0 HA LYS A 8 0.887 3.445 -5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.301 4.915 -7.109 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.229 5.700 -5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.661 4.630 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.378 4.600 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.284 7.037 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.639 6.725 -8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.746 6.865 -9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.177 7.034 -7.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.140 9.154 -8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.067 9.099 -7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.484 8.936 -9.224 1.00 0.00 H new ATOM 139 N CYS A 9 -0.462 4.413 -3.745 1.00 0.00 N ATOM 140 CA CYS A 9 -1.076 4.569 -2.477 1.00 0.00 C ATOM 141 C CYS A 9 -0.676 5.895 -1.867 1.00 0.00 C ATOM 142 O CYS A 9 0.200 6.623 -2.399 1.00 0.00 O ATOM 143 CB CYS A 9 -0.637 3.425 -1.562 1.00 0.00 C ATOM 144 SG CYS A 9 1.168 3.339 -1.334 1.00 0.00 S ATOM 0 H CYS A 9 0.404 4.939 -3.859 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.159 4.549 -2.595 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.114 3.543 -0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.989 2.481 -1.977 1.00 0.00 H new ATOM 149 N ASN A 10 -1.333 6.233 -0.802 1.00 0.00 N ATOM 150 CA ASN A 10 -0.991 7.374 -0.015 1.00 0.00 C ATOM 151 C ASN A 10 -0.232 6.841 1.174 1.00 0.00 C ATOM 152 O ASN A 10 -0.789 6.072 1.944 1.00 0.00 O ATOM 153 CB ASN A 10 -2.249 8.118 0.469 1.00 0.00 C ATOM 154 CG ASN A 10 -3.058 8.766 -0.643 1.00 0.00 C ATOM 155 OD1 ASN A 10 -2.524 9.192 -1.679 1.00 0.00 O ATOM 156 ND2 ASN A 10 -4.347 8.850 -0.444 1.00 0.00 N ATOM 0 H ASN A 10 -2.137 5.713 -0.449 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.405 8.083 -0.599 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.888 7.417 1.006 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.951 8.887 1.181 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.946 9.276 -1.152 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.754 8.490 0.419 1.00 0.00 H new ATOM 163 N PRO A 11 1.044 7.231 1.352 1.00 0.00 N ATOM 164 CA PRO A 11 1.931 6.690 2.417 1.00 0.00 C ATOM 165 C PRO A 11 1.401 6.893 3.847 1.00 0.00 C ATOM 166 O PRO A 11 1.922 6.319 4.799 1.00 0.00 O ATOM 167 CB PRO A 11 3.238 7.461 2.216 1.00 0.00 C ATOM 168 CG PRO A 11 2.856 8.666 1.436 1.00 0.00 C ATOM 169 CD PRO A 11 1.752 8.221 0.531 1.00 0.00 C ATOM 0 HA PRO A 11 2.025 5.608 2.328 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.686 7.735 3.171 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.973 6.860 1.680 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.525 9.470 2.093 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.702 9.049 0.865 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.103 9.049 0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.135 7.784 -0.391 1.00 0.00 H new ATOM 177 N ARG A 12 0.378 7.705 3.985 1.00 0.00 N ATOM 178 CA ARG A 12 -0.259 7.943 5.264 1.00 0.00 C ATOM 179 C ARG A 12 -1.292 6.870 5.589 1.00 0.00 C ATOM 180 O ARG A 12 -1.688 6.702 6.752 1.00 0.00 O ATOM 181 CB ARG A 12 -0.940 9.295 5.277 1.00 0.00 C ATOM 182 CG ARG A 12 -0.010 10.502 5.375 1.00 0.00 C ATOM 183 CD ARG A 12 0.812 10.473 6.655 1.00 0.00 C ATOM 184 NE ARG A 12 -0.029 10.390 7.859 1.00 0.00 N ATOM 185 CZ ARG A 12 0.284 9.714 8.975 1.00 0.00 C ATOM 186 NH1 ARG A 12 1.436 9.053 9.060 1.00 0.00 N ATOM 187 NH2 ARG A 12 -0.558 9.699 10.000 1.00 0.00 N ATOM 0 H ARG A 12 -0.039 8.222 3.211 1.00 0.00 H new ATOM 0 HA ARG A 12 0.526 7.915 6.019 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.535 9.391 4.369 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.634 9.324 6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.658 10.519 4.513 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.598 11.419 5.340 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.490 9.620 6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.430 11.370 6.707 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.920 10.885 7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.086 9.059 8.274 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.669 8.541 9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.444 10.201 9.940 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.320 9.185 10.848 1.00 0.00 H new ATOM 201 N ASN A 13 -1.726 6.164 4.585 1.00 0.00 N ATOM 202 CA ASN A 13 -2.753 5.147 4.750 1.00 0.00 C ATOM 203 C ASN A 13 -2.488 3.934 3.853 1.00 0.00 C ATOM 204 O ASN A 13 -2.729 3.976 2.635 1.00 0.00 O ATOM 205 CB ASN A 13 -4.128 5.733 4.418 1.00 0.00 C ATOM 206 CG ASN A 13 -5.270 4.768 4.674 1.00 0.00 C ATOM 207 OD1 ASN A 13 -5.225 3.944 5.593 1.00 0.00 O ATOM 208 ND2 ASN A 13 -6.281 4.842 3.865 1.00 0.00 N ATOM 0 H ASN A 13 -1.387 6.268 3.629 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.731 4.818 5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.284 6.634 5.011 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.144 6.034 3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.072 4.207 3.977 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.286 5.535 3.116 1.00 0.00 H new ATOM 215 N ASP A 14 -1.984 2.874 4.444 1.00 0.00 N ATOM 216 CA ASP A 14 -1.722 1.629 3.722 1.00 0.00 C ATOM 217 C ASP A 14 -3.001 0.897 3.415 1.00 0.00 C ATOM 218 O ASP A 14 -3.787 0.585 4.310 1.00 0.00 O ATOM 219 CB ASP A 14 -0.800 0.700 4.512 1.00 0.00 C ATOM 220 CG ASP A 14 -0.694 -0.691 3.912 1.00 0.00 C ATOM 221 OD1 ASP A 14 -0.034 -0.859 2.892 1.00 0.00 O ATOM 222 OD2 ASP A 14 -1.264 -1.643 4.498 1.00 0.00 O ATOM 0 H ASP A 14 -1.742 2.841 5.434 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.230 1.910 2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.195 1.143 4.563 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.166 0.620 5.536 1.00 0.00 H new ATOM 227 N LYS A 15 -3.215 0.653 2.166 1.00 0.00 N ATOM 228 CA LYS A 15 -4.340 -0.115 1.711 1.00 0.00 C ATOM 229 C LYS A 15 -3.838 -1.288 0.913 1.00 0.00 C ATOM 230 O LYS A 15 -4.585 -1.908 0.171 1.00 0.00 O ATOM 231 CB LYS A 15 -5.280 0.742 0.850 1.00 0.00 C ATOM 232 CG LYS A 15 -6.020 1.842 1.602 1.00 0.00 C ATOM 233 CD LYS A 15 -7.002 1.280 2.633 1.00 0.00 C ATOM 234 CE LYS A 15 -8.106 0.435 1.975 1.00 0.00 C ATOM 235 NZ LYS A 15 -9.140 0.006 2.944 1.00 0.00 N ATOM 0 H LYS A 15 -2.608 0.984 1.416 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.904 -0.465 2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.699 1.198 0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.014 0.088 0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.298 2.485 2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.561 2.465 0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.460 0.670 3.355 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.456 2.102 3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.575 1.012 1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.659 -0.444 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.862 -0.560 2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.699 -0.567 3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.587 0.844 3.369 1.00 0.00 H new ATOM 249 N CYS A 16 -2.586 -1.615 1.083 1.00 0.00 N ATOM 250 CA CYS A 16 -2.009 -2.699 0.320 1.00 0.00 C ATOM 251 C CYS A 16 -2.343 -4.031 0.990 1.00 0.00 C ATOM 252 O CYS A 16 -2.663 -4.070 2.191 1.00 0.00 O ATOM 253 CB CYS A 16 -0.501 -2.514 0.194 1.00 0.00 C ATOM 254 SG CYS A 16 -0.002 -0.846 -0.386 1.00 0.00 S ATOM 0 H CYS A 16 -1.949 -1.156 1.734 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.431 -2.698 -0.685 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.039 -2.704 1.163 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.110 -3.260 -0.497 1.00 0.00 H new ATOM 259 N CYS A 17 -2.321 -5.099 0.221 1.00 0.00 N ATOM 260 CA CYS A 17 -2.606 -6.437 0.740 1.00 0.00 C ATOM 261 C CYS A 17 -1.476 -6.890 1.683 1.00 0.00 C ATOM 262 O CYS A 17 -0.421 -6.292 1.701 1.00 0.00 O ATOM 263 CB CYS A 17 -2.743 -7.417 -0.428 1.00 0.00 C ATOM 264 SG CYS A 17 -3.948 -6.908 -1.710 1.00 0.00 S ATOM 0 H CYS A 17 -2.108 -5.074 -0.776 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.540 -6.415 1.302 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.767 -7.544 -0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.038 -8.390 -0.036 1.00 0.00 H new ATOM 269 N SER A 18 -1.700 -7.921 2.458 1.00 0.00 N ATOM 270 CA SER A 18 -0.697 -8.417 3.380 1.00 0.00 C ATOM 271 C SER A 18 0.525 -8.974 2.633 1.00 0.00 C ATOM 272 O SER A 18 0.394 -9.601 1.570 1.00 0.00 O ATOM 273 CB SER A 18 -1.317 -9.445 4.305 1.00 0.00 C ATOM 274 OG SER A 18 -2.402 -8.857 5.019 1.00 0.00 O ATOM 0 H SER A 18 -2.577 -8.442 2.472 1.00 0.00 H new ATOM 0 HA SER A 18 -0.334 -7.588 3.987 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.669 -10.301 3.729 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.568 -9.818 5.004 1.00 0.00 H new ATOM 0 HG SER A 18 -2.802 -9.525 5.615 1.00 0.00 H new ATOM 280 N GLY A 19 1.699 -8.702 3.166 1.00 0.00 N ATOM 281 CA GLY A 19 2.953 -9.061 2.515 1.00 0.00 C ATOM 282 C GLY A 19 3.436 -7.911 1.659 1.00 0.00 C ATOM 283 O GLY A 19 4.600 -7.824 1.269 1.00 0.00 O ATOM 0 H GLY A 19 1.816 -8.227 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.704 -9.308 3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.812 -9.950 1.900 1.00 0.00 H new ATOM 287 N LEU A 20 2.524 -7.032 1.396 1.00 0.00 N ATOM 288 CA LEU A 20 2.712 -5.879 0.610 1.00 0.00 C ATOM 289 C LEU A 20 2.488 -4.706 1.551 1.00 0.00 C ATOM 290 O LEU A 20 1.716 -4.829 2.516 1.00 0.00 O ATOM 291 CB LEU A 20 1.631 -5.911 -0.464 1.00 0.00 C ATOM 292 CG LEU A 20 1.818 -5.052 -1.670 1.00 0.00 C ATOM 293 CD1 LEU A 20 2.992 -5.540 -2.450 1.00 0.00 C ATOM 294 CD2 LEU A 20 0.586 -5.098 -2.525 1.00 0.00 C ATOM 0 H LEU A 20 1.572 -7.115 1.752 1.00 0.00 H new ATOM 0 HA LEU A 20 3.694 -5.811 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.525 -6.942 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.687 -5.630 0.003 1.00 0.00 H new ATOM 0 HG LEU A 20 1.994 -4.023 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.129 -4.913 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.886 -5.494 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.819 -6.570 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.729 -4.469 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.400 -6.125 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.268 -4.734 -1.953 1.00 0.00 H new ATOM 306 N LYS A 21 3.155 -3.618 1.351 1.00 0.00 N ATOM 307 CA LYS A 21 2.956 -2.505 2.235 1.00 0.00 C ATOM 308 C LYS A 21 3.190 -1.211 1.517 1.00 0.00 C ATOM 309 O LYS A 21 4.074 -1.104 0.643 1.00 0.00 O ATOM 310 CB LYS A 21 3.911 -2.593 3.431 1.00 0.00 C ATOM 311 CG LYS A 21 3.569 -1.696 4.624 1.00 0.00 C ATOM 312 CD LYS A 21 2.279 -2.149 5.293 1.00 0.00 C ATOM 313 CE LYS A 21 1.957 -1.356 6.555 1.00 0.00 C ATOM 314 NZ LYS A 21 3.010 -1.476 7.592 1.00 0.00 N ATOM 0 H LYS A 21 3.831 -3.471 0.601 1.00 0.00 H new ATOM 0 HA LYS A 21 1.926 -2.540 2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.939 -3.627 3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.915 -2.343 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.385 -1.718 5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.467 -0.663 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.455 -2.050 4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.358 -3.207 5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.827 -0.305 6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.008 -1.703 6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.650 -1.109 8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.274 -2.476 7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.845 -0.928 7.304 1.00 0.00 H new ATOM 328 N CYS A 22 2.390 -0.268 1.840 1.00 0.00 N ATOM 329 CA CYS A 22 2.586 1.069 1.412 1.00 0.00 C ATOM 330 C CYS A 22 3.399 1.734 2.489 1.00 0.00 C ATOM 331 O CYS A 22 2.874 2.072 3.562 1.00 0.00 O ATOM 332 CB CYS A 22 1.256 1.796 1.243 1.00 0.00 C ATOM 333 SG CYS A 22 1.413 3.510 0.660 1.00 0.00 S ATOM 0 H CYS A 22 1.563 -0.403 2.421 1.00 0.00 H new ATOM 0 HA CYS A 22 3.087 1.095 0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.638 1.240 0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.731 1.796 2.198 1.00 0.00 H new ATOM 338 N GLY A 23 4.681 1.818 2.266 1.00 0.00 N ATOM 339 CA GLY A 23 5.562 2.405 3.237 1.00 0.00 C ATOM 340 C GLY A 23 5.312 3.884 3.417 1.00 0.00 C ATOM 341 O GLY A 23 4.764 4.543 2.529 1.00 0.00 O ATOM 0 H GLY A 23 5.140 1.486 1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.435 1.898 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.596 2.248 2.928 1.00 0.00 H new ATOM 345 N SER A 24 5.752 4.412 4.524 1.00 0.00 N ATOM 346 CA SER A 24 5.567 5.804 4.862 1.00 0.00 C ATOM 347 C SER A 24 6.373 6.729 3.937 1.00 0.00 C ATOM 348 O SER A 24 6.092 7.934 3.834 1.00 0.00 O ATOM 349 CB SER A 24 5.912 6.009 6.337 1.00 0.00 C ATOM 350 OG SER A 24 7.071 5.262 6.689 1.00 0.00 O ATOM 0 H SER A 24 6.259 3.882 5.233 1.00 0.00 H new ATOM 0 HA SER A 24 4.522 6.075 4.709 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.082 7.068 6.533 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.071 5.701 6.959 1.00 0.00 H new ATOM 0 HG SER A 24 7.278 5.406 7.636 1.00 0.00 H new ATOM 356 N ASN A 25 7.348 6.157 3.256 1.00 0.00 N ATOM 357 CA ASN A 25 8.157 6.887 2.291 1.00 0.00 C ATOM 358 C ASN A 25 7.875 6.377 0.890 1.00 0.00 C ATOM 359 O ASN A 25 8.588 6.707 -0.050 1.00 0.00 O ATOM 360 CB ASN A 25 9.656 6.727 2.571 1.00 0.00 C ATOM 361 CG ASN A 25 10.089 7.241 3.920 1.00 0.00 C ATOM 362 OD1 ASN A 25 10.107 6.503 4.901 1.00 0.00 O ATOM 363 ND2 ASN A 25 10.463 8.482 3.981 1.00 0.00 N ATOM 0 H ASN A 25 7.603 5.174 3.354 1.00 0.00 H new ATOM 0 HA ASN A 25 7.893 7.941 2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.918 5.672 2.495 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.217 7.251 1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.786 8.874 4.865 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.434 9.065 3.145 1.00 0.00 H new ATOM 370 N HIS A 26 6.835 5.581 0.746 1.00 0.00 N ATOM 371 CA HIS A 26 6.487 5.016 -0.555 1.00 0.00 C ATOM 372 C HIS A 26 5.361 5.803 -1.183 1.00 0.00 C ATOM 373 O HIS A 26 4.781 6.691 -0.561 1.00 0.00 O ATOM 374 CB HIS A 26 6.028 3.546 -0.464 1.00 0.00 C ATOM 375 CG HIS A 26 7.041 2.532 -0.078 1.00 0.00 C ATOM 376 ND1 HIS A 26 6.980 1.216 -0.480 1.00 0.00 N ATOM 377 CD2 HIS A 26 8.088 2.627 0.735 1.00 0.00 C ATOM 378 CE1 HIS A 26 7.985 0.562 0.103 1.00 0.00 C ATOM 379 NE2 HIS A 26 8.696 1.379 0.861 1.00 0.00 N ATOM 0 H HIS A 26 6.214 5.307 1.507 1.00 0.00 H new ATOM 0 HA HIS A 26 7.394 5.067 -1.157 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.210 3.494 0.254 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.620 3.261 -1.434 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.417 3.532 1.223 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.190 -0.490 -0.026 1.00 0.00 H new ATOM 0 HE2 HIS A 26 9.516 1.145 1.420 1.00 0.00 H new ATOM 387 N ASN A 27 5.087 5.497 -2.415 1.00 0.00 N ATOM 388 CA ASN A 27 3.952 6.056 -3.145 1.00 0.00 C ATOM 389 C ASN A 27 3.245 4.899 -3.835 1.00 0.00 C ATOM 390 O ASN A 27 2.303 5.057 -4.601 1.00 0.00 O ATOM 391 CB ASN A 27 4.463 7.097 -4.164 1.00 0.00 C ATOM 392 CG ASN A 27 3.394 7.742 -5.052 1.00 0.00 C ATOM 393 OD1 ASN A 27 3.666 8.078 -6.211 1.00 0.00 O ATOM 394 ND2 ASN A 27 2.205 7.945 -4.540 1.00 0.00 N ATOM 0 H ASN A 27 5.645 4.843 -2.964 1.00 0.00 H new ATOM 0 HA ASN A 27 3.254 6.564 -2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.981 7.887 -3.619 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.201 6.617 -4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.478 8.390 -5.100 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.007 7.658 -3.581 1.00 0.00 H new ATOM 401 N TRP A 28 3.683 3.743 -3.488 1.00 0.00 N ATOM 402 CA TRP A 28 3.243 2.522 -4.107 1.00 0.00 C ATOM 403 C TRP A 28 3.306 1.332 -3.156 1.00 0.00 C ATOM 404 O TRP A 28 4.062 1.328 -2.159 1.00 0.00 O ATOM 405 CB TRP A 28 4.055 2.228 -5.388 1.00 0.00 C ATOM 406 CG TRP A 28 5.554 2.378 -5.227 1.00 0.00 C ATOM 407 CD1 TRP A 28 6.280 2.190 -4.090 1.00 0.00 C ATOM 408 CD2 TRP A 28 6.505 2.694 -6.246 1.00 0.00 C ATOM 409 NE1 TRP A 28 7.590 2.412 -4.321 1.00 0.00 N ATOM 410 CE2 TRP A 28 7.768 2.702 -5.636 1.00 0.00 C ATOM 411 CE3 TRP A 28 6.417 2.977 -7.609 1.00 0.00 C ATOM 412 CZ2 TRP A 28 8.927 2.973 -6.329 1.00 0.00 C ATOM 413 CZ3 TRP A 28 7.577 3.249 -8.303 1.00 0.00 C ATOM 414 CH2 TRP A 28 8.820 3.242 -7.663 1.00 0.00 C ATOM 0 H TRP A 28 4.373 3.605 -2.750 1.00 0.00 H new ATOM 0 HA TRP A 28 2.197 2.668 -4.377 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.837 1.212 -5.717 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.718 2.898 -6.179 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.864 1.903 -3.136 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.329 2.369 -3.620 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.460 2.983 -8.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.887 2.973 -5.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.525 3.471 -9.359 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.712 3.453 -8.234 1.00 0.00 H new ATOM 425 N CYS A 29 2.533 0.351 -3.479 1.00 0.00 N ATOM 426 CA CYS A 29 2.503 -0.898 -2.779 1.00 0.00 C ATOM 427 C CYS A 29 3.662 -1.781 -3.223 1.00 0.00 C ATOM 428 O CYS A 29 3.674 -2.286 -4.364 1.00 0.00 O ATOM 429 CB CYS A 29 1.192 -1.613 -3.069 1.00 0.00 C ATOM 430 SG CYS A 29 -0.293 -0.824 -2.392 1.00 0.00 S ATOM 0 H CYS A 29 1.881 0.393 -4.263 1.00 0.00 H new ATOM 0 HA CYS A 29 2.591 -0.703 -1.710 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.076 -1.699 -4.149 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.256 -2.627 -2.674 1.00 0.00 H new ATOM 435 N LYS A 30 4.639 -1.948 -2.355 1.00 0.00 N ATOM 436 CA LYS A 30 5.774 -2.828 -2.635 1.00 0.00 C ATOM 437 C LYS A 30 5.800 -3.949 -1.632 1.00 0.00 C ATOM 438 O LYS A 30 5.158 -3.849 -0.580 1.00 0.00 O ATOM 439 CB LYS A 30 7.119 -2.094 -2.606 1.00 0.00 C ATOM 440 CG LYS A 30 7.331 -1.079 -3.718 1.00 0.00 C ATOM 441 CD LYS A 30 8.741 -0.494 -3.686 1.00 0.00 C ATOM 442 CE LYS A 30 9.815 -1.533 -3.968 1.00 0.00 C ATOM 443 NZ LYS A 30 9.632 -2.189 -5.281 1.00 0.00 N ATOM 0 H LYS A 30 4.677 -1.488 -1.445 1.00 0.00 H new ATOM 0 HA LYS A 30 5.637 -3.214 -3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.215 -1.583 -1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.918 -2.833 -2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.156 -1.554 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.601 -0.275 -3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.814 0.307 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.922 -0.047 -2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.795 -1.057 -3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.802 -2.288 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.486 -2.733 -5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.814 -2.829 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.468 -1.466 -6.010 1.00 0.00 H new ATOM 457 N LEU A 31 6.515 -5.013 -1.952 1.00 0.00 N ATOM 458 CA LEU A 31 6.632 -6.151 -1.054 1.00 0.00 C ATOM 459 C LEU A 31 7.450 -5.756 0.139 1.00 0.00 C ATOM 460 O LEU A 31 8.567 -5.235 -0.005 1.00 0.00 O ATOM 461 CB LEU A 31 7.260 -7.359 -1.756 1.00 0.00 C ATOM 462 CG LEU A 31 6.416 -8.030 -2.842 1.00 0.00 C ATOM 463 CD1 LEU A 31 7.216 -9.119 -3.526 1.00 0.00 C ATOM 464 CD2 LEU A 31 5.145 -8.615 -2.243 1.00 0.00 C ATOM 0 H LEU A 31 7.025 -5.114 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 31 5.632 -6.445 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.203 -7.043 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.501 -8.106 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 31 6.139 -7.277 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.605 -9.589 -4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.106 -8.685 -3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.514 -9.868 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.557 -9.088 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.406 -9.357 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.560 -7.819 -1.782 1.00 0.00 H new ATOM 476 N HIS A 32 6.912 -5.965 1.294 1.00 0.00 N ATOM 477 CA HIS A 32 7.566 -5.571 2.494 1.00 0.00 C ATOM 478 C HIS A 32 7.315 -6.613 3.545 1.00 0.00 C ATOM 479 O HIS A 32 6.197 -6.747 4.042 1.00 0.00 O ATOM 480 CB HIS A 32 7.031 -4.215 2.946 1.00 0.00 C ATOM 481 CG HIS A 32 7.835 -3.546 4.027 1.00 0.00 C ATOM 482 ND1 HIS A 32 8.647 -2.462 3.805 1.00 0.00 N ATOM 483 CD2 HIS A 32 7.912 -3.799 5.358 1.00 0.00 C ATOM 484 CE1 HIS A 32 9.174 -2.093 4.967 1.00 0.00 C ATOM 485 NE2 HIS A 32 8.762 -2.874 5.949 1.00 0.00 N ATOM 0 H HIS A 32 6.006 -6.414 1.431 1.00 0.00 H new ATOM 0 HA HIS A 32 8.639 -5.480 2.326 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.987 -3.552 2.082 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.008 -4.344 3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.394 -4.593 5.875 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.852 -1.262 5.093 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.015 -2.811 6.935 1.00 0.00 H new ATOM 493 N LEU A 33 8.318 -7.365 3.838 1.00 0.00 N ATOM 494 CA LEU A 33 8.240 -8.388 4.833 1.00 0.00 C ATOM 495 C LEU A 33 9.189 -8.049 5.953 1.00 0.00 C ATOM 496 O LEU A 33 10.418 -8.228 5.777 1.00 0.00 O ATOM 497 CB LEU A 33 8.534 -9.799 4.257 1.00 0.00 C ATOM 498 CG LEU A 33 7.498 -10.411 3.282 1.00 0.00 C ATOM 499 CD1 LEU A 33 6.103 -10.388 3.877 1.00 0.00 C ATOM 500 CD2 LEU A 33 7.525 -9.756 1.904 1.00 0.00 C ATOM 501 OXT LEU A 33 8.727 -7.554 6.999 1.00 0.00 O ATOM 0 H LEU A 33 9.231 -7.289 3.389 1.00 0.00 H new ATOM 0 HA LEU A 33 7.219 -8.425 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.494 -9.757 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.651 -10.485 5.096 1.00 0.00 H new ATOM 0 HG LEU A 33 7.787 -11.452 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.398 -10.824 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.092 -10.965 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.815 -9.358 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.778 -10.225 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.303 -8.693 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.513 -9.881 1.461 1.00 0.00 H new