USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 264 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 5 LYS NZ :NH3+ 160:sc= -0.0859 (180deg=-0.382) USER MOD Single : A 6 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.9!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -81:sc= 0.465 USER MOD Single : A 22 SER OG : rot 180:sc= 0.391 USER MOD Single : A 24 LYS NZ :NH3+ -119:sc= -0.448 (180deg=-3.32!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -170:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.92 K(o=-3.9,f=-4.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N CYS A 2 4.291 -0.039 -0.834 1.00 0.00 N ATOM 9 CA CYS A 2 5.581 0.629 -0.718 1.00 0.00 C ATOM 10 C CYS A 2 6.723 -0.337 -1.023 1.00 0.00 C ATOM 11 O CYS A 2 6.561 -1.554 -0.933 1.00 0.00 O ATOM 12 CB CYS A 2 5.753 1.212 0.686 1.00 0.00 C ATOM 13 SG CYS A 2 5.723 -0.032 2.017 1.00 0.00 S ATOM 0 HA CYS A 2 5.609 1.439 -1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.698 1.753 0.730 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.961 1.939 0.865 1.00 0.00 H new ATOM 18 N ILE A 3 7.877 0.215 -1.383 1.00 0.00 N ATOM 19 CA ILE A 3 9.045 -0.597 -1.700 1.00 0.00 C ATOM 20 C ILE A 3 9.886 -0.859 -0.455 1.00 0.00 C ATOM 21 O ILE A 3 10.368 0.073 0.188 1.00 0.00 O ATOM 22 CB ILE A 3 9.926 0.077 -2.768 1.00 0.00 C ATOM 23 CG1 ILE A 3 9.087 0.451 -3.992 1.00 0.00 C ATOM 24 CG2 ILE A 3 11.072 -0.841 -3.166 1.00 0.00 C ATOM 25 CD1 ILE A 3 9.121 1.927 -4.321 1.00 0.00 C ATOM 0 H ILE A 3 8.028 1.221 -1.462 1.00 0.00 H new ATOM 0 HA ILE A 3 8.674 -1.544 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 3 10.347 0.990 -2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.445 -0.113 -4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.054 0.149 -3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.686 -0.350 -3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.682 -1.062 -2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.670 -1.770 -3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.504 2.118 -5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.735 2.497 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.148 2.231 -4.525 1.00 0.00 H new ATOM 37 N ALA A 4 10.059 -2.134 -0.122 1.00 0.00 N ATOM 38 CA ALA A 4 10.845 -2.519 1.043 1.00 0.00 C ATOM 39 C ALA A 4 12.339 -2.439 0.748 1.00 0.00 C ATOM 40 O ALA A 4 12.751 -2.364 -0.410 1.00 0.00 O ATOM 41 CB ALA A 4 10.468 -3.923 1.493 1.00 0.00 C ATOM 0 H ALA A 4 9.665 -2.918 -0.643 1.00 0.00 H new ATOM 0 HA ALA A 4 10.623 -1.819 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.063 -4.198 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.410 -3.950 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.661 -4.628 0.685 1.00 0.00 H new ATOM 47 N LYS A 5 13.147 -2.456 1.803 1.00 0.00 N ATOM 48 CA LYS A 5 14.597 -2.386 1.658 1.00 0.00 C ATOM 49 C LYS A 5 15.156 -3.707 1.139 1.00 0.00 C ATOM 50 O LYS A 5 15.861 -4.417 1.855 1.00 0.00 O ATOM 51 CB LYS A 5 15.247 -2.036 2.998 1.00 0.00 C ATOM 52 CG LYS A 5 14.837 -2.958 4.133 1.00 0.00 C ATOM 53 CD LYS A 5 14.456 -2.175 5.378 1.00 0.00 C ATOM 54 CE LYS A 5 14.529 -3.042 6.626 1.00 0.00 C ATOM 55 NZ LYS A 5 15.930 -3.426 6.953 1.00 0.00 N ATOM 0 H LYS A 5 12.822 -2.518 2.768 1.00 0.00 H new ATOM 0 HA LYS A 5 14.828 -1.605 0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.331 -2.071 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.986 -1.011 3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.994 -3.573 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.657 -3.637 4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.122 -1.319 5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.446 -1.781 5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.094 -2.504 7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.931 -3.941 6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.988 -3.711 7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.222 -4.220 6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.560 -2.615 6.787 1.00 0.00 H new ATOM 69 N ASN A 6 14.838 -4.029 -0.111 1.00 0.00 N ATOM 70 CA ASN A 6 15.310 -5.264 -0.725 1.00 0.00 C ATOM 71 C ASN A 6 14.802 -5.387 -2.159 1.00 0.00 C ATOM 72 O ASN A 6 15.434 -6.025 -3.001 1.00 0.00 O ATOM 73 CB ASN A 6 14.854 -6.473 0.094 1.00 0.00 C ATOM 74 CG ASN A 6 15.832 -7.629 0.013 1.00 0.00 C ATOM 75 OD1 ASN A 6 17.027 -7.431 -0.207 1.00 0.00 O ATOM 76 ND2 ASN A 6 15.327 -8.844 0.190 1.00 0.00 N ATOM 0 H ASN A 6 14.256 -3.452 -0.718 1.00 0.00 H new ATOM 0 HA ASN A 6 16.399 -5.237 -0.744 1.00 0.00 H new ATOM 0 HB2 ASN A 6 14.731 -6.177 1.136 1.00 0.00 H new ATOM 0 HB3 ASN A 6 13.877 -6.802 -0.261 1.00 0.00 H new ATOM 0 HD21 ASN A 6 15.936 -9.661 0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 6 14.330 -8.961 0.370 1.00 0.00 H new ATOM 83 N LYS A 7 13.657 -4.770 -2.430 1.00 0.00 N ATOM 84 CA LYS A 7 13.064 -4.808 -3.761 1.00 0.00 C ATOM 85 C LYS A 7 13.621 -3.690 -4.637 1.00 0.00 C ATOM 86 O LYS A 7 13.905 -2.595 -4.154 1.00 0.00 O ATOM 87 CB LYS A 7 11.541 -4.685 -3.667 1.00 0.00 C ATOM 88 CG LYS A 7 10.913 -5.645 -2.672 1.00 0.00 C ATOM 89 CD LYS A 7 9.929 -6.585 -3.348 1.00 0.00 C ATOM 90 CE LYS A 7 9.587 -7.769 -2.457 1.00 0.00 C ATOM 91 NZ LYS A 7 9.069 -8.923 -3.243 1.00 0.00 N ATOM 0 H LYS A 7 13.121 -4.237 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 7 13.318 -5.765 -4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.284 -3.664 -3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.109 -4.862 -4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.695 -6.226 -2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.401 -5.080 -1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.018 -6.041 -3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.353 -6.944 -4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.475 -8.076 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.842 -7.467 -1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.847 -9.710 -2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.207 -8.638 -3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.790 -9.228 -3.928 1.00 0.00 H new ATOM 105 N GLU A 8 13.774 -3.975 -5.926 1.00 0.00 N ATOM 106 CA GLU A 8 14.297 -2.993 -6.868 1.00 0.00 C ATOM 107 C GLU A 8 13.471 -1.711 -6.832 1.00 0.00 C ATOM 108 O GLU A 8 12.275 -1.737 -6.541 1.00 0.00 O ATOM 109 CB GLU A 8 14.306 -3.568 -8.287 1.00 0.00 C ATOM 110 CG GLU A 8 12.964 -3.467 -8.992 1.00 0.00 C ATOM 111 CD GLU A 8 12.961 -4.160 -10.341 1.00 0.00 C ATOM 112 OE1 GLU A 8 13.478 -5.294 -10.426 1.00 0.00 O ATOM 113 OE2 GLU A 8 12.442 -3.569 -11.311 1.00 0.00 O ATOM 0 H GLU A 8 13.543 -4.877 -6.342 1.00 0.00 H new ATOM 0 HA GLU A 8 15.319 -2.754 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.058 -3.044 -8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.607 -4.615 -8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.192 -3.906 -8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.706 -2.416 -9.127 1.00 0.00 H new ATOM 120 N CYS A 9 14.117 -0.589 -7.130 1.00 0.00 N ATOM 121 CA CYS A 9 13.445 0.705 -7.131 1.00 0.00 C ATOM 122 C CYS A 9 14.091 1.653 -8.137 1.00 0.00 C ATOM 123 O CYS A 9 15.262 1.502 -8.485 1.00 0.00 O ATOM 124 CB CYS A 9 13.483 1.324 -5.733 1.00 0.00 C ATOM 125 SG CYS A 9 15.164 1.610 -5.091 1.00 0.00 S ATOM 0 H CYS A 9 15.107 -0.550 -7.374 1.00 0.00 H new ATOM 0 HA CYS A 9 12.407 0.547 -7.423 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.947 2.273 -5.753 1.00 0.00 H new ATOM 0 HB3 CYS A 9 12.949 0.671 -5.043 1.00 0.00 H new ATOM 130 N ALA A 10 13.319 2.631 -8.601 1.00 0.00 N ATOM 131 CA ALA A 10 13.816 3.605 -9.565 1.00 0.00 C ATOM 132 C ALA A 10 13.721 5.022 -9.011 1.00 0.00 C ATOM 133 O ALA A 10 12.819 5.336 -8.234 1.00 0.00 O ATOM 134 CB ALA A 10 13.046 3.494 -10.872 1.00 0.00 C ATOM 0 H ALA A 10 12.347 2.769 -8.325 1.00 0.00 H new ATOM 0 HA ALA A 10 14.867 3.387 -9.756 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.428 4.227 -11.583 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.169 2.492 -11.283 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.988 3.683 -10.688 1.00 0.00 H new ATOM 140 N TRP A 11 14.656 5.874 -9.416 1.00 0.00 N ATOM 141 CA TRP A 11 14.677 7.259 -8.959 1.00 0.00 C ATOM 142 C TRP A 11 13.452 8.016 -9.459 1.00 0.00 C ATOM 143 O TRP A 11 13.154 9.114 -8.989 1.00 0.00 O ATOM 144 CB TRP A 11 15.952 7.956 -9.436 1.00 0.00 C ATOM 145 CG TRP A 11 17.115 7.766 -8.510 1.00 0.00 C ATOM 146 CD1 TRP A 11 17.211 6.864 -7.489 1.00 0.00 C ATOM 147 CD2 TRP A 11 18.347 8.496 -8.520 1.00 0.00 C ATOM 148 NE1 TRP A 11 18.428 6.990 -6.863 1.00 0.00 N ATOM 149 CE2 TRP A 11 19.143 7.983 -7.477 1.00 0.00 C ATOM 150 CE3 TRP A 11 18.855 9.531 -9.309 1.00 0.00 C ATOM 151 CZ2 TRP A 11 20.418 8.473 -7.205 1.00 0.00 C ATOM 152 CZ3 TRP A 11 20.120 10.017 -9.037 1.00 0.00 C ATOM 153 CH2 TRP A 11 20.890 9.487 -7.993 1.00 0.00 C ATOM 0 H TRP A 11 15.409 5.630 -10.059 1.00 0.00 H new ATOM 0 HA TRP A 11 14.659 7.256 -7.869 1.00 0.00 H new ATOM 0 HB2 TRP A 11 16.217 7.577 -10.423 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.755 9.022 -9.546 1.00 0.00 H new ATOM 0 HD1 TRP A 11 16.443 6.156 -7.214 1.00 0.00 H new ATOM 0 HE1 TRP A 11 18.747 6.434 -6.070 1.00 0.00 H new ATOM 0 HE3 TRP A 11 18.270 9.944 -10.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 21.013 8.067 -6.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 20.522 10.819 -9.639 1.00 0.00 H new ATOM 0 HH2 TRP A 11 21.876 9.887 -7.807 1.00 0.00 H new ATOM 164 N PHE A 12 12.744 7.423 -10.415 1.00 0.00 N ATOM 165 CA PHE A 12 11.551 8.043 -10.980 1.00 0.00 C ATOM 166 C PHE A 12 10.430 7.020 -11.137 1.00 0.00 C ATOM 167 O PHE A 12 9.548 7.174 -11.983 1.00 0.00 O ATOM 168 CB PHE A 12 11.872 8.677 -12.334 1.00 0.00 C ATOM 169 CG PHE A 12 11.059 9.905 -12.629 1.00 0.00 C ATOM 170 CD1 PHE A 12 11.406 11.130 -12.080 1.00 0.00 C ATOM 171 CD2 PHE A 12 9.949 9.836 -13.455 1.00 0.00 C ATOM 172 CE1 PHE A 12 10.659 12.261 -12.349 1.00 0.00 C ATOM 173 CE2 PHE A 12 9.199 10.964 -13.728 1.00 0.00 C ATOM 174 CZ PHE A 12 9.555 12.179 -13.174 1.00 0.00 C ATOM 0 H PHE A 12 12.976 6.514 -10.815 1.00 0.00 H new ATOM 0 HA PHE A 12 11.216 8.821 -10.294 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.930 8.936 -12.363 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.702 7.941 -13.120 1.00 0.00 H new ATOM 0 HD1 PHE A 12 12.269 11.201 -11.435 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.666 8.889 -13.891 1.00 0.00 H new ATOM 0 HE1 PHE A 12 10.939 13.209 -11.914 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.336 10.896 -14.373 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.971 13.062 -13.386 1.00 0.00 H new ATOM 184 N SER A 13 10.471 5.974 -10.318 1.00 0.00 N ATOM 185 CA SER A 13 9.462 4.922 -10.369 1.00 0.00 C ATOM 186 C SER A 13 8.081 5.478 -10.035 1.00 0.00 C ATOM 187 O SER A 13 7.062 4.847 -10.310 1.00 0.00 O ATOM 188 CB SER A 13 9.820 3.796 -9.398 1.00 0.00 C ATOM 189 OG SER A 13 10.017 4.296 -8.086 1.00 0.00 O ATOM 0 H SER A 13 11.192 5.832 -9.611 1.00 0.00 H new ATOM 0 HA SER A 13 9.438 4.523 -11.383 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.024 3.051 -9.391 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.725 3.292 -9.738 1.00 0.00 H new ATOM 0 HG SER A 13 10.920 4.669 -8.010 1.00 0.00 H new ATOM 195 N GLY A 14 8.057 6.666 -9.438 1.00 0.00 N ATOM 196 CA GLY A 14 6.797 7.289 -9.076 1.00 0.00 C ATOM 197 C GLY A 14 6.364 6.942 -7.665 1.00 0.00 C ATOM 198 O GLY A 14 5.601 7.681 -7.044 1.00 0.00 O ATOM 0 H GLY A 14 8.887 7.208 -9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.890 8.371 -9.169 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.025 6.974 -9.778 1.00 0.00 H new ATOM 202 N GLU A 15 6.852 5.814 -7.158 1.00 0.00 N ATOM 203 CA GLU A 15 6.508 5.371 -5.812 1.00 0.00 C ATOM 204 C GLU A 15 7.658 5.632 -4.843 1.00 0.00 C ATOM 205 O GLU A 15 8.707 6.146 -5.232 1.00 0.00 O ATOM 206 CB GLU A 15 6.158 3.882 -5.815 1.00 0.00 C ATOM 207 CG GLU A 15 7.129 3.030 -6.615 1.00 0.00 C ATOM 208 CD GLU A 15 6.894 1.544 -6.426 1.00 0.00 C ATOM 209 OE1 GLU A 15 6.249 1.168 -5.425 1.00 0.00 O ATOM 210 OE2 GLU A 15 7.355 0.756 -7.278 1.00 0.00 O ATOM 0 H GLU A 15 7.486 5.191 -7.658 1.00 0.00 H new ATOM 0 HA GLU A 15 5.640 5.940 -5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.133 3.521 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.155 3.754 -6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.037 3.277 -7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.149 3.273 -6.319 1.00 0.00 H new ATOM 217 N TRP A 16 7.453 5.273 -3.581 1.00 0.00 N ATOM 218 CA TRP A 16 8.471 5.469 -2.555 1.00 0.00 C ATOM 219 C TRP A 16 8.645 4.210 -1.714 1.00 0.00 C ATOM 220 O TRP A 16 7.759 3.356 -1.665 1.00 0.00 O ATOM 221 CB TRP A 16 8.100 6.651 -1.658 1.00 0.00 C ATOM 222 CG TRP A 16 7.566 7.828 -2.416 1.00 0.00 C ATOM 223 CD1 TRP A 16 8.121 8.413 -3.518 1.00 0.00 C ATOM 224 CD2 TRP A 16 6.373 8.564 -2.126 1.00 0.00 C ATOM 225 NE1 TRP A 16 7.344 9.468 -3.931 1.00 0.00 N ATOM 226 CE2 TRP A 16 6.266 9.582 -3.094 1.00 0.00 C ATOM 227 CE3 TRP A 16 5.384 8.462 -1.144 1.00 0.00 C ATOM 228 CZ2 TRP A 16 5.210 10.489 -3.106 1.00 0.00 C ATOM 229 CZ3 TRP A 16 4.337 9.363 -1.157 1.00 0.00 C ATOM 230 CH2 TRP A 16 4.256 10.366 -2.133 1.00 0.00 C ATOM 0 H TRP A 16 6.591 4.845 -3.243 1.00 0.00 H new ATOM 0 HA TRP A 16 9.417 5.684 -3.053 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.354 6.327 -0.932 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.980 6.960 -1.094 1.00 0.00 H new ATOM 0 HD1 TRP A 16 9.036 8.093 -3.995 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.539 10.069 -4.732 1.00 0.00 H new ATOM 0 HE3 TRP A 16 5.437 7.692 -0.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.146 11.263 -3.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 3.568 9.294 -0.402 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.424 11.055 -2.117 1.00 0.00 H new ATOM 241 N CYS A 17 9.792 4.100 -1.051 1.00 0.00 N ATOM 242 CA CYS A 17 10.082 2.944 -0.211 1.00 0.00 C ATOM 243 C CYS A 17 9.352 3.047 1.126 1.00 0.00 C ATOM 244 O CYS A 17 8.939 4.131 1.539 1.00 0.00 O ATOM 245 CB CYS A 17 11.589 2.826 0.026 1.00 0.00 C ATOM 246 SG CYS A 17 12.602 3.162 -1.450 1.00 0.00 S ATOM 0 H CYS A 17 10.536 4.798 -1.079 1.00 0.00 H new ATOM 0 HA CYS A 17 9.731 2.051 -0.729 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.877 3.519 0.817 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.812 1.821 0.386 1.00 0.00 H new ATOM 251 N CYS A 18 9.198 1.911 1.797 1.00 0.00 N ATOM 252 CA CYS A 18 8.518 1.871 3.087 1.00 0.00 C ATOM 253 C CYS A 18 9.269 2.702 4.123 1.00 0.00 C ATOM 254 O CYS A 18 10.403 3.121 3.896 1.00 0.00 O ATOM 255 CB CYS A 18 8.388 0.426 3.573 1.00 0.00 C ATOM 256 SG CYS A 18 7.553 -0.683 2.394 1.00 0.00 S ATOM 0 H CYS A 18 9.535 1.006 1.469 1.00 0.00 H new ATOM 0 HA CYS A 18 7.522 2.295 2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.383 0.033 3.782 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.838 0.419 4.514 1.00 0.00 H new ATOM 261 N GLY A 19 8.626 2.937 5.263 1.00 0.00 N ATOM 262 CA GLY A 19 9.247 3.717 6.318 1.00 0.00 C ATOM 263 C GLY A 19 9.750 5.060 5.826 1.00 0.00 C ATOM 264 O GLY A 19 8.961 5.964 5.553 1.00 0.00 O ATOM 0 H GLY A 19 7.686 2.601 5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.527 3.874 7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.079 3.154 6.741 1.00 0.00 H new ATOM 268 N ALA A 20 11.068 5.192 5.714 1.00 0.00 N ATOM 269 CA ALA A 20 11.675 6.434 5.252 1.00 0.00 C ATOM 270 C ALA A 20 13.000 6.168 4.546 1.00 0.00 C ATOM 271 O ALA A 20 13.954 6.935 4.684 1.00 0.00 O ATOM 272 CB ALA A 20 11.879 7.388 6.420 1.00 0.00 C ATOM 0 H ALA A 20 11.736 4.454 5.937 1.00 0.00 H new ATOM 0 HA ALA A 20 10.997 6.896 4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.333 8.311 6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.916 7.612 6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.534 6.925 7.158 1.00 0.00 H new ATOM 278 N LEU A 21 13.053 5.077 3.790 1.00 0.00 N ATOM 279 CA LEU A 21 14.263 4.709 3.062 1.00 0.00 C ATOM 280 C LEU A 21 14.199 5.198 1.619 1.00 0.00 C ATOM 281 O LEU A 21 13.117 5.401 1.068 1.00 0.00 O ATOM 282 CB LEU A 21 14.457 3.192 3.091 1.00 0.00 C ATOM 283 CG LEU A 21 14.125 2.497 4.412 1.00 0.00 C ATOM 284 CD1 LEU A 21 13.700 1.058 4.166 1.00 0.00 C ATOM 285 CD2 LEU A 21 15.317 2.549 5.356 1.00 0.00 C ATOM 0 H LEU A 21 12.273 4.432 3.665 1.00 0.00 H new ATOM 0 HA LEU A 21 15.112 5.187 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.840 2.752 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.495 2.974 2.840 1.00 0.00 H new ATOM 0 HG LEU A 21 13.294 3.025 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.468 0.579 5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.817 1.044 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.510 0.518 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.063 2.050 6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.168 2.046 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.576 3.588 5.558 1.00 0.00 H new ATOM 297 N SER A 22 15.367 5.383 1.010 1.00 0.00 N ATOM 298 CA SER A 22 15.444 5.849 -0.369 1.00 0.00 C ATOM 299 C SER A 22 15.985 4.754 -1.283 1.00 0.00 C ATOM 300 O SER A 22 16.097 3.595 -0.884 1.00 0.00 O ATOM 301 CB SER A 22 16.333 7.091 -0.461 1.00 0.00 C ATOM 302 OG SER A 22 16.194 7.726 -1.720 1.00 0.00 O ATOM 0 H SER A 22 16.272 5.217 1.450 1.00 0.00 H new ATOM 0 HA SER A 22 14.437 6.107 -0.696 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.070 7.790 0.333 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.374 6.809 -0.306 1.00 0.00 H new ATOM 0 HG SER A 22 16.771 8.518 -1.753 1.00 0.00 H new ATOM 308 N CYS A 23 16.319 5.131 -2.513 1.00 0.00 N ATOM 309 CA CYS A 23 16.849 4.183 -3.486 1.00 0.00 C ATOM 310 C CYS A 23 18.374 4.206 -3.494 1.00 0.00 C ATOM 311 O CYS A 23 18.989 5.235 -3.777 1.00 0.00 O ATOM 312 CB CYS A 23 16.315 4.504 -4.884 1.00 0.00 C ATOM 313 SG CYS A 23 16.129 3.047 -5.961 1.00 0.00 S ATOM 0 H CYS A 23 16.232 6.086 -2.859 1.00 0.00 H new ATOM 0 HA CYS A 23 16.521 3.184 -3.199 1.00 0.00 H new ATOM 0 HB2 CYS A 23 15.348 4.997 -4.787 1.00 0.00 H new ATOM 0 HB3 CYS A 23 16.988 5.214 -5.364 1.00 0.00 H new ATOM 318 N LYS A 24 18.979 3.065 -3.183 1.00 0.00 N ATOM 319 CA LYS A 24 20.433 2.952 -3.155 1.00 0.00 C ATOM 320 C LYS A 24 20.906 1.797 -4.031 1.00 0.00 C ATOM 321 O LYS A 24 20.181 0.822 -4.234 1.00 0.00 O ATOM 322 CB LYS A 24 20.922 2.750 -1.719 1.00 0.00 C ATOM 323 CG LYS A 24 20.451 3.829 -0.759 1.00 0.00 C ATOM 324 CD LYS A 24 19.047 3.550 -0.252 1.00 0.00 C ATOM 325 CE LYS A 24 18.843 4.096 1.153 1.00 0.00 C ATOM 326 NZ LYS A 24 18.967 5.579 1.195 1.00 0.00 N ATOM 0 H LYS A 24 18.485 2.205 -2.947 1.00 0.00 H new ATOM 0 HA LYS A 24 20.852 3.878 -3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.578 1.780 -1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.012 2.723 -1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.138 3.891 0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.472 4.797 -1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.319 4.000 -0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.864 2.475 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.858 3.803 1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.576 3.651 1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.752 5.844 1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.153 5.939 0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.082 5.991 1.554 1.00 0.00 H new ATOM 340 N TYR A 25 22.124 1.912 -4.547 1.00 0.00 N ATOM 341 CA TYR A 25 22.693 0.877 -5.403 1.00 0.00 C ATOM 342 C TYR A 25 23.246 -0.276 -4.570 1.00 0.00 C ATOM 343 O TYR A 25 23.953 -0.061 -3.585 1.00 0.00 O ATOM 344 CB TYR A 25 23.799 1.463 -6.281 1.00 0.00 C ATOM 345 CG TYR A 25 24.485 0.438 -7.156 1.00 0.00 C ATOM 346 CD1 TYR A 25 25.575 -0.286 -6.689 1.00 0.00 C ATOM 347 CD2 TYR A 25 24.041 0.192 -8.450 1.00 0.00 C ATOM 348 CE1 TYR A 25 26.204 -1.223 -7.486 1.00 0.00 C ATOM 349 CE2 TYR A 25 24.663 -0.744 -9.253 1.00 0.00 C ATOM 350 CZ TYR A 25 25.745 -1.448 -8.767 1.00 0.00 C ATOM 351 OH TYR A 25 26.368 -2.382 -9.563 1.00 0.00 O ATOM 0 H TYR A 25 22.737 2.712 -4.388 1.00 0.00 H new ATOM 0 HA TYR A 25 21.898 0.491 -6.041 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.374 2.242 -6.914 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.543 1.940 -5.643 1.00 0.00 H new ATOM 0 HD1 TYR A 25 25.937 -0.113 -5.686 1.00 0.00 H new ATOM 0 HD2 TYR A 25 23.195 0.742 -8.834 1.00 0.00 H new ATOM 0 HE1 TYR A 25 27.051 -1.776 -7.108 1.00 0.00 H new ATOM 0 HE2 TYR A 25 24.304 -0.924 -10.256 1.00 0.00 H new ATOM 0 HH TYR A 25 25.921 -2.419 -10.434 1.00 0.00 H new ATOM 361 N SER A 26 22.919 -1.499 -4.973 1.00 0.00 N ATOM 362 CA SER A 26 23.380 -2.687 -4.263 1.00 0.00 C ATOM 363 C SER A 26 24.408 -3.450 -5.092 1.00 0.00 C ATOM 364 O SER A 26 24.053 -4.205 -5.999 1.00 0.00 O ATOM 365 CB SER A 26 22.197 -3.598 -3.930 1.00 0.00 C ATOM 366 OG SER A 26 21.642 -3.273 -2.668 1.00 0.00 O ATOM 0 H SER A 26 22.337 -1.694 -5.787 1.00 0.00 H new ATOM 0 HA SER A 26 23.854 -2.366 -3.336 1.00 0.00 H new ATOM 0 HB2 SER A 26 21.433 -3.504 -4.702 1.00 0.00 H new ATOM 0 HB3 SER A 26 22.524 -4.638 -3.930 1.00 0.00 H new ATOM 0 HG SER A 26 20.996 -3.962 -2.407 1.00 0.00 H new ATOM 372 N ILE A 27 25.682 -3.249 -4.774 1.00 0.00 N ATOM 373 CA ILE A 27 26.762 -3.919 -5.488 1.00 0.00 C ATOM 374 C ILE A 27 26.627 -5.435 -5.393 1.00 0.00 C ATOM 375 O ILE A 27 26.803 -6.149 -6.380 1.00 0.00 O ATOM 376 CB ILE A 27 28.141 -3.503 -4.943 1.00 0.00 C ATOM 377 CG1 ILE A 27 28.180 -1.993 -4.694 1.00 0.00 C ATOM 378 CG2 ILE A 27 29.240 -3.914 -5.911 1.00 0.00 C ATOM 379 CD1 ILE A 27 28.074 -1.619 -3.232 1.00 0.00 C ATOM 0 H ILE A 27 25.992 -2.628 -4.027 1.00 0.00 H new ATOM 0 HA ILE A 27 26.686 -3.614 -6.532 1.00 0.00 H new ATOM 0 HB ILE A 27 28.310 -4.014 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 27 29.109 -1.590 -5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 27 27.364 -1.521 -5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 27 30.208 -3.613 -5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 27 29.223 -4.996 -6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 27 29.078 -3.428 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 27 28.108 -0.534 -3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.132 -1.992 -2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 27 28.905 -2.061 -2.682 1.00 0.00 H new ATOM 391 N LYS A 28 26.311 -5.921 -4.197 1.00 0.00 N ATOM 392 CA LYS A 28 26.148 -7.352 -3.971 1.00 0.00 C ATOM 393 C LYS A 28 25.012 -7.912 -4.822 1.00 0.00 C ATOM 394 O LYS A 28 25.086 -9.040 -5.309 1.00 0.00 O ATOM 395 CB LYS A 28 25.874 -7.628 -2.491 1.00 0.00 C ATOM 396 CG LYS A 28 24.781 -6.754 -1.901 1.00 0.00 C ATOM 397 CD LYS A 28 23.654 -7.589 -1.316 1.00 0.00 C ATOM 398 CE LYS A 28 23.788 -7.726 0.192 1.00 0.00 C ATOM 399 NZ LYS A 28 23.342 -6.496 0.903 1.00 0.00 N ATOM 0 H LYS A 28 26.163 -5.344 -3.369 1.00 0.00 H new ATOM 0 HA LYS A 28 27.074 -7.848 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 28 25.595 -8.675 -2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 28 26.793 -7.476 -1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.203 -6.116 -1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.384 -6.095 -2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 28 22.696 -7.129 -1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.657 -8.578 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 28 23.198 -8.577 0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 28 24.827 -7.936 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.449 -6.630 1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 23.922 -5.689 0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 22.343 -6.309 0.681 1.00 0.00 H new ATOM 413 N ARG A 29 23.962 -7.115 -4.997 1.00 0.00 N ATOM 414 CA ARG A 29 22.811 -7.531 -5.789 1.00 0.00 C ATOM 415 C ARG A 29 22.946 -7.059 -7.234 1.00 0.00 C ATOM 416 O ARG A 29 22.038 -7.240 -8.043 1.00 0.00 O ATOM 417 CB ARG A 29 21.520 -6.981 -5.180 1.00 0.00 C ATOM 418 CG ARG A 29 21.273 -7.446 -3.754 1.00 0.00 C ATOM 419 CD ARG A 29 20.074 -8.377 -3.672 1.00 0.00 C ATOM 420 NE ARG A 29 18.860 -7.754 -4.194 1.00 0.00 N ATOM 421 CZ ARG A 29 17.798 -8.440 -4.600 1.00 0.00 C ATOM 422 NH1 ARG A 29 17.799 -9.765 -4.544 1.00 0.00 N ATOM 423 NH2 ARG A 29 16.731 -7.801 -5.063 1.00 0.00 N ATOM 0 H ARG A 29 23.885 -6.178 -4.601 1.00 0.00 H new ATOM 0 HA ARG A 29 22.772 -8.620 -5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 29 21.556 -5.892 -5.197 1.00 0.00 H new ATOM 0 HB3 ARG A 29 20.677 -7.282 -5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 29 22.159 -7.958 -3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 29 21.108 -6.581 -3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 29 20.284 -9.288 -4.232 1.00 0.00 H new ATOM 0 HD3 ARG A 29 19.913 -8.671 -2.635 1.00 0.00 H new ATOM 0 HE ARG A 29 18.826 -6.736 -4.250 1.00 0.00 H new ATOM 0 HH11 ARG A 29 18.617 -10.260 -4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.982 -10.289 -4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.726 -6.782 -5.107 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.916 -8.329 -5.375 1.00 0.00 H new ATOM 437 N ASN A 30 24.086 -6.452 -7.549 1.00 0.00 N ATOM 438 CA ASN A 30 24.339 -5.953 -8.895 1.00 0.00 C ATOM 439 C ASN A 30 23.100 -5.269 -9.464 1.00 0.00 C ATOM 440 O ASN A 30 22.820 -5.361 -10.660 1.00 0.00 O ATOM 441 CB ASN A 30 24.770 -7.098 -9.814 1.00 0.00 C ATOM 442 CG ASN A 30 23.707 -8.173 -9.936 1.00 0.00 C ATOM 443 OD1 ASN A 30 22.625 -7.933 -10.471 1.00 0.00 O ATOM 444 ND2 ASN A 30 24.012 -9.366 -9.438 1.00 0.00 N ATOM 0 H ASN A 30 24.849 -6.294 -6.890 1.00 0.00 H new ATOM 0 HA ASN A 30 25.143 -5.220 -8.838 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.996 -6.701 -10.803 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.689 -7.541 -9.431 1.00 0.00 H new ATOM 0 HD21 ASN A 30 23.337 -10.128 -9.491 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.922 -9.520 -9.003 1.00 0.00 H new ATOM 451 N LEU A 31 22.360 -4.583 -8.600 1.00 0.00 N ATOM 452 CA LEU A 31 21.150 -3.883 -9.015 1.00 0.00 C ATOM 453 C LEU A 31 20.886 -2.675 -8.121 1.00 0.00 C ATOM 454 O LEU A 31 21.732 -2.289 -7.315 1.00 0.00 O ATOM 455 CB LEU A 31 19.950 -4.831 -8.979 1.00 0.00 C ATOM 456 CG LEU A 31 19.995 -6.008 -9.953 1.00 0.00 C ATOM 457 CD1 LEU A 31 18.947 -7.046 -9.585 1.00 0.00 C ATOM 458 CD2 LEU A 31 19.792 -5.526 -11.382 1.00 0.00 C ATOM 0 H LEU A 31 22.577 -4.497 -7.607 1.00 0.00 H new ATOM 0 HA LEU A 31 21.296 -3.531 -10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 31 19.855 -5.226 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 31 19.049 -4.252 -9.181 1.00 0.00 H new ATOM 0 HG LEU A 31 20.978 -6.474 -9.884 1.00 0.00 H new ATOM 0 HD11 LEU A 31 18.994 -7.876 -10.290 1.00 0.00 H new ATOM 0 HD12 LEU A 31 19.138 -7.414 -8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.956 -6.593 -9.624 1.00 0.00 H new ATOM 0 HD21 LEU A 31 19.827 -6.377 -12.062 1.00 0.00 H new ATOM 0 HD22 LEU A 31 18.823 -5.034 -11.466 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.581 -4.820 -11.643 1.00 0.00 H new ATOM 470 N LYS A 32 19.705 -2.084 -8.269 1.00 0.00 N ATOM 471 CA LYS A 32 19.327 -0.922 -7.473 1.00 0.00 C ATOM 472 C LYS A 32 18.050 -1.195 -6.685 1.00 0.00 C ATOM 473 O LYS A 32 16.981 -1.390 -7.265 1.00 0.00 O ATOM 474 CB LYS A 32 19.130 0.298 -8.376 1.00 0.00 C ATOM 475 CG LYS A 32 20.351 0.639 -9.212 1.00 0.00 C ATOM 476 CD LYS A 32 20.362 -0.132 -10.522 1.00 0.00 C ATOM 477 CE LYS A 32 20.918 0.711 -11.660 1.00 0.00 C ATOM 478 NZ LYS A 32 19.917 1.693 -12.162 1.00 0.00 N ATOM 0 H LYS A 32 18.993 -2.390 -8.932 1.00 0.00 H new ATOM 0 HA LYS A 32 20.132 -0.718 -6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.285 0.116 -9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.871 1.158 -7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.365 1.709 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.255 0.412 -8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 32 20.963 -1.035 -10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 32 19.349 -0.452 -10.766 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.807 1.241 -11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 32 21.229 0.059 -12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.334 2.248 -12.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.079 1.186 -12.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.639 2.331 -11.389 1.00 0.00 H new ATOM 492 N ILE A 33 18.168 -1.207 -5.361 1.00 0.00 N ATOM 493 CA ILE A 33 17.022 -1.453 -4.494 1.00 0.00 C ATOM 494 C ILE A 33 16.987 -0.463 -3.335 1.00 0.00 C ATOM 495 O ILE A 33 17.911 0.329 -3.153 1.00 0.00 O ATOM 496 CB ILE A 33 17.041 -2.886 -3.931 1.00 0.00 C ATOM 497 CG1 ILE A 33 18.064 -2.999 -2.798 1.00 0.00 C ATOM 498 CG2 ILE A 33 17.353 -3.886 -5.035 1.00 0.00 C ATOM 499 CD1 ILE A 33 18.316 -4.422 -2.351 1.00 0.00 C ATOM 0 H ILE A 33 19.046 -1.049 -4.866 1.00 0.00 H new ATOM 0 HA ILE A 33 16.129 -1.323 -5.106 1.00 0.00 H new ATOM 0 HB ILE A 33 16.054 -3.115 -3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 33 19.006 -2.557 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 33 17.716 -2.415 -1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.363 -4.894 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.591 -3.820 -5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 33 18.329 -3.661 -5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 33 19.051 -4.426 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 33 17.385 -4.862 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 33 18.694 -5.006 -3.190 1.00 0.00 H new ATOM 511 N CYS A 34 15.914 -0.516 -2.552 1.00 0.00 N ATOM 512 CA CYS A 34 15.757 0.375 -1.409 1.00 0.00 C ATOM 513 C CYS A 34 16.542 -0.141 -0.206 1.00 0.00 C ATOM 514 O CYS A 34 16.813 -1.337 -0.094 1.00 0.00 O ATOM 515 CB CYS A 34 14.278 0.515 -1.045 1.00 0.00 C ATOM 516 SG CYS A 34 13.315 1.518 -2.222 1.00 0.00 S ATOM 0 H CYS A 34 15.141 -1.167 -2.689 1.00 0.00 H new ATOM 0 HA CYS A 34 16.150 1.353 -1.685 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.834 -0.479 -0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 34 14.199 0.962 -0.054 1.00 0.00 H new ATOM 521 N VAL A 35 16.904 0.770 0.692 1.00 0.00 N ATOM 522 CA VAL A 35 17.656 0.407 1.888 1.00 0.00 C ATOM 523 C VAL A 35 17.241 1.265 3.078 1.00 0.00 C ATOM 524 O VAL A 35 17.380 0.854 4.230 1.00 0.00 O ATOM 525 CB VAL A 35 19.172 0.558 1.664 1.00 0.00 C ATOM 526 CG1 VAL A 35 19.940 0.142 2.910 1.00 0.00 C ATOM 527 CG2 VAL A 35 19.616 -0.256 0.458 1.00 0.00 C ATOM 0 H VAL A 35 16.689 1.764 0.614 1.00 0.00 H new ATOM 0 HA VAL A 35 17.430 -0.638 2.100 1.00 0.00 H new ATOM 0 HB VAL A 35 19.390 1.607 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 35 21.010 0.255 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.642 0.772 3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.719 -0.900 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.690 -0.138 0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.386 -1.308 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 35 19.091 0.094 -0.431 1.00 0.00 H new