USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 248 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 Set 1.1: A 6 ASN : amide:sc= 0.123! C(o=0.69!,f=-20!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -123:sc= 0.563! (180deg=0) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.939 K(o=2.5,f=-4.6!) USER MOD Set 2.2: A 26 GLN : amide:sc= 0.646 K(o=2.5,f=-2.1) USER MOD Set 2.3: A 31 SER OG : rot -147:sc= 0.902 USER MOD Single : A 1 ALA N :NH3+ 179:sc= 1.08 (180deg=1.02) USER MOD Single : A 5 LYS NZ :NH3+ -149:sc= 0.991 (180deg=0.468) USER MOD Single : A 13 SER OG : rot 180:sc= 0.14 USER MOD Single : A 18 TYR OH : rot -87:sc= 0.936 USER MOD Single : A 21 SER OG : rot 126:sc= 1.19 USER MOD Single : A 22 SER OG : rot 62:sc= 1.21 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.128 K(o=-0.13,f=-2!) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.671 USER MOD Single : A 37 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.922 -1.269 -1.830 1.00 0.52 N ATOM 2 CA ALA A 1 12.276 -2.245 -0.753 1.00 0.44 C ATOM 3 C ALA A 1 11.602 -3.597 -1.023 1.00 0.35 C ATOM 4 O ALA A 1 11.103 -3.843 -2.107 1.00 0.42 O ATOM 5 CB ALA A 1 11.742 -1.612 0.538 1.00 0.48 C ATOM 0 H1 ALA A 1 12.370 -0.352 -1.629 1.00 0.52 H new ATOM 0 H2 ALA A 1 12.260 -1.626 -2.747 1.00 0.52 H new ATOM 0 H3 ALA A 1 10.889 -1.150 -1.865 1.00 0.52 H new ATOM 0 HA ALA A 1 13.347 -2.438 -0.696 1.00 0.44 H new ATOM 0 HB1 ALA A 1 11.961 -2.267 1.382 1.00 0.48 H new ATOM 0 HB2 ALA A 1 12.221 -0.646 0.695 1.00 0.48 H new ATOM 0 HB3 ALA A 1 10.664 -1.473 0.456 1.00 0.48 H new ATOM 10 N GLY A 2 11.582 -4.472 -0.051 1.00 0.33 N ATOM 11 CA GLY A 2 10.931 -5.806 -0.251 1.00 0.36 C ATOM 12 C GLY A 2 9.411 -5.624 -0.339 1.00 0.35 C ATOM 13 O GLY A 2 8.853 -4.722 0.255 1.00 0.55 O ATOM 0 H GLY A 2 11.987 -4.323 0.873 1.00 0.33 H new ATOM 0 HA2 GLY A 2 11.306 -6.273 -1.162 1.00 0.36 H new ATOM 0 HA3 GLY A 2 11.181 -6.472 0.575 1.00 0.36 H new ATOM 17 N CYS A 3 8.736 -6.471 -1.075 1.00 0.29 N ATOM 18 CA CYS A 3 7.246 -6.335 -1.196 1.00 0.27 C ATOM 19 C CYS A 3 6.562 -6.698 0.127 1.00 0.24 C ATOM 20 O CYS A 3 6.932 -7.649 0.794 1.00 0.32 O ATOM 21 CB CYS A 3 6.824 -7.307 -2.305 1.00 0.32 C ATOM 22 SG CYS A 3 6.594 -8.971 -1.620 1.00 0.34 S ATOM 0 H CYS A 3 9.146 -7.247 -1.595 1.00 0.29 H new ATOM 0 HA CYS A 3 6.957 -5.311 -1.431 1.00 0.27 H new ATOM 0 HB2 CYS A 3 5.898 -6.964 -2.767 1.00 0.32 H new ATOM 0 HB3 CYS A 3 7.582 -7.329 -3.088 1.00 0.32 H new ATOM 27 N ILE A 4 5.564 -5.950 0.511 1.00 0.24 N ATOM 28 CA ILE A 4 4.855 -6.255 1.794 1.00 0.23 C ATOM 29 C ILE A 4 3.472 -6.856 1.511 1.00 0.24 C ATOM 30 O ILE A 4 2.679 -6.302 0.770 1.00 0.39 O ATOM 31 CB ILE A 4 4.725 -4.917 2.532 1.00 0.27 C ATOM 32 CG1 ILE A 4 6.086 -4.209 2.575 1.00 0.33 C ATOM 33 CG2 ILE A 4 4.255 -5.176 3.967 1.00 0.35 C ATOM 34 CD1 ILE A 4 5.974 -2.830 1.925 1.00 0.54 C ATOM 0 H ILE A 4 5.208 -5.144 -0.003 1.00 0.24 H new ATOM 0 HA ILE A 4 5.402 -6.985 2.391 1.00 0.23 H new ATOM 0 HB ILE A 4 4.005 -4.288 2.008 1.00 0.27 H new ATOM 0 HG12 ILE A 4 6.421 -4.108 3.607 1.00 0.33 H new ATOM 0 HG13 ILE A 4 6.834 -4.807 2.054 1.00 0.33 H new ATOM 0 HG21 ILE A 4 4.161 -4.228 4.496 1.00 0.35 H new ATOM 0 HG22 ILE A 4 3.288 -5.678 3.948 1.00 0.35 H new ATOM 0 HG23 ILE A 4 4.981 -5.807 4.479 1.00 0.35 H new ATOM 0 HD11 ILE A 4 6.943 -2.332 1.958 1.00 0.54 H new ATOM 0 HD12 ILE A 4 5.659 -2.941 0.887 1.00 0.54 H new ATOM 0 HD13 ILE A 4 5.240 -2.232 2.465 1.00 0.54 H new ATOM 46 N LYS A 5 3.189 -7.995 2.091 1.00 0.23 N ATOM 47 CA LYS A 5 1.876 -8.661 1.872 1.00 0.26 C ATOM 48 C LYS A 5 0.836 -8.189 2.910 1.00 0.23 C ATOM 49 O LYS A 5 -0.356 -8.348 2.725 1.00 0.39 O ATOM 50 CB LYS A 5 2.177 -10.154 2.047 1.00 0.36 C ATOM 51 CG LYS A 5 2.997 -10.662 0.854 1.00 0.50 C ATOM 52 CD LYS A 5 3.956 -11.766 1.323 1.00 0.87 C ATOM 53 CE LYS A 5 5.294 -11.146 1.745 1.00 1.09 C ATOM 54 NZ LYS A 5 6.205 -11.347 0.580 1.00 1.25 N ATOM 0 H LYS A 5 3.822 -8.495 2.714 1.00 0.23 H new ATOM 0 HA LYS A 5 1.453 -8.430 0.895 1.00 0.26 H new ATOM 0 HB2 LYS A 5 2.727 -10.317 2.974 1.00 0.36 H new ATOM 0 HB3 LYS A 5 1.246 -10.715 2.126 1.00 0.36 H new ATOM 0 HG2 LYS A 5 2.333 -11.047 0.081 1.00 0.50 H new ATOM 0 HG3 LYS A 5 3.560 -9.841 0.410 1.00 0.50 H new ATOM 0 HD2 LYS A 5 3.517 -12.311 2.159 1.00 0.87 H new ATOM 0 HD3 LYS A 5 4.115 -12.487 0.521 1.00 0.87 H new ATOM 0 HE2 LYS A 5 5.181 -10.087 1.978 1.00 1.09 H new ATOM 0 HE3 LYS A 5 5.687 -11.629 2.640 1.00 1.09 H new ATOM 0 HZ1 LYS A 5 7.182 -11.455 0.918 1.00 1.25 H new ATOM 0 HZ2 LYS A 5 5.922 -12.203 0.061 1.00 1.25 H new ATOM 0 HZ3 LYS A 5 6.147 -10.523 -0.052 1.00 1.25 H new ATOM 68 N ASN A 6 1.284 -7.618 4.004 1.00 0.21 N ATOM 69 CA ASN A 6 0.334 -7.147 5.058 1.00 0.24 C ATOM 70 C ASN A 6 0.915 -5.933 5.801 1.00 0.24 C ATOM 71 O ASN A 6 1.902 -6.041 6.502 1.00 0.40 O ATOM 72 CB ASN A 6 0.195 -8.349 6.001 1.00 0.32 C ATOM 73 CG ASN A 6 -0.715 -7.996 7.178 1.00 0.33 C ATOM 74 OD1 ASN A 6 -1.920 -8.115 7.088 1.00 0.50 O ATOM 75 ND2 ASN A 6 -0.191 -7.567 8.288 1.00 0.42 N ATOM 0 H ASN A 6 2.270 -7.458 4.211 1.00 0.21 H new ATOM 0 HA ASN A 6 -0.624 -6.826 4.650 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -0.215 -9.201 5.458 1.00 0.32 H new ATOM 0 HB3 ASN A 6 1.177 -8.648 6.368 1.00 0.32 H new ATOM 0 HD21 ASN A 6 -0.792 -7.332 9.078 1.00 0.42 H new ATOM 0 HD22 ASN A 6 0.821 -7.465 8.369 1.00 0.42 H new ATOM 82 N GLY A 7 0.307 -4.781 5.658 1.00 0.27 N ATOM 83 CA GLY A 7 0.818 -3.562 6.365 1.00 0.31 C ATOM 84 C GLY A 7 1.908 -2.869 5.539 1.00 0.28 C ATOM 85 O GLY A 7 2.825 -2.280 6.084 1.00 0.33 O ATOM 0 H GLY A 7 -0.521 -4.631 5.082 1.00 0.27 H new ATOM 0 HA2 GLY A 7 -0.004 -2.869 6.545 1.00 0.31 H new ATOM 0 HA3 GLY A 7 1.217 -3.842 7.340 1.00 0.31 H new ATOM 89 N GLY A 8 1.815 -2.915 4.231 1.00 0.25 N ATOM 90 CA GLY A 8 2.850 -2.236 3.382 1.00 0.25 C ATOM 91 C GLY A 8 2.613 -0.722 3.418 1.00 0.21 C ATOM 92 O GLY A 8 1.850 -0.232 4.227 1.00 0.24 O ATOM 0 H GLY A 8 1.073 -3.389 3.716 1.00 0.25 H new ATOM 0 HA2 GLY A 8 3.849 -2.469 3.749 1.00 0.25 H new ATOM 0 HA3 GLY A 8 2.794 -2.601 2.357 1.00 0.25 H new ATOM 96 N ARG A 9 3.248 0.022 2.555 1.00 0.21 N ATOM 97 CA ARG A 9 3.032 1.499 2.563 1.00 0.19 C ATOM 98 C ARG A 9 2.969 2.048 1.131 1.00 0.19 C ATOM 99 O ARG A 9 3.941 2.017 0.402 1.00 0.27 O ATOM 100 CB ARG A 9 4.239 2.060 3.318 1.00 0.25 C ATOM 101 CG ARG A 9 3.818 3.275 4.153 1.00 0.30 C ATOM 102 CD ARG A 9 2.923 2.824 5.315 1.00 0.33 C ATOM 103 NE ARG A 9 3.868 2.345 6.372 1.00 0.43 N ATOM 104 CZ ARG A 9 4.214 1.095 6.419 1.00 0.41 C ATOM 105 NH1 ARG A 9 3.304 0.178 6.517 1.00 0.37 N ATOM 106 NH2 ARG A 9 5.469 0.770 6.372 1.00 0.67 N ATOM 0 H ARG A 9 3.901 -0.323 1.851 1.00 0.21 H new ATOM 0 HA ARG A 9 2.089 1.779 3.033 1.00 0.19 H new ATOM 0 HB2 ARG A 9 4.662 1.292 3.966 1.00 0.25 H new ATOM 0 HB3 ARG A 9 5.019 2.346 2.612 1.00 0.25 H new ATOM 0 HG2 ARG A 9 4.700 3.786 4.539 1.00 0.30 H new ATOM 0 HG3 ARG A 9 3.284 3.990 3.527 1.00 0.30 H new ATOM 0 HD2 ARG A 9 2.307 3.646 5.680 1.00 0.33 H new ATOM 0 HD3 ARG A 9 2.244 2.030 5.004 1.00 0.33 H new ATOM 0 HE ARG A 9 4.241 3.002 7.057 1.00 0.43 H new ATOM 0 HH11 ARG A 9 2.319 0.439 6.557 1.00 0.37 H new ATOM 0 HH12 ARG A 9 3.573 -0.805 6.554 1.00 0.37 H new ATOM 0 HH21 ARG A 9 6.181 1.496 6.298 1.00 0.67 H new ATOM 0 HH22 ARG A 9 5.743 -0.212 6.409 1.00 0.67 H new ATOM 120 N CYS A 10 1.833 2.547 0.723 1.00 0.20 N ATOM 121 CA CYS A 10 1.710 3.095 -0.666 1.00 0.21 C ATOM 122 C CYS A 10 0.965 4.435 -0.670 1.00 0.21 C ATOM 123 O CYS A 10 0.501 4.909 0.349 1.00 0.29 O ATOM 124 CB CYS A 10 0.919 2.045 -1.454 1.00 0.24 C ATOM 125 SG CYS A 10 -0.502 1.477 -0.481 1.00 0.29 S ATOM 0 H CYS A 10 0.985 2.600 1.287 1.00 0.20 H new ATOM 0 HA CYS A 10 2.690 3.283 -1.103 1.00 0.21 H new ATOM 0 HB2 CYS A 10 0.577 2.469 -2.398 1.00 0.24 H new ATOM 0 HB3 CYS A 10 1.563 1.201 -1.698 1.00 0.24 H new ATOM 130 N ASN A 11 0.856 5.043 -1.823 1.00 0.26 N ATOM 131 CA ASN A 11 0.148 6.358 -1.935 1.00 0.29 C ATOM 132 C ASN A 11 -0.240 6.601 -3.407 1.00 0.34 C ATOM 133 O ASN A 11 -0.606 5.676 -4.105 1.00 0.51 O ATOM 134 CB ASN A 11 1.173 7.388 -1.435 1.00 0.37 C ATOM 135 CG ASN A 11 0.458 8.656 -0.958 1.00 0.43 C ATOM 136 OD1 ASN A 11 -0.749 8.689 -0.854 1.00 0.49 O ATOM 137 ND2 ASN A 11 1.160 9.711 -0.673 1.00 0.70 N ATOM 0 H ASN A 11 1.230 4.683 -2.701 1.00 0.26 H new ATOM 0 HA ASN A 11 -0.775 6.410 -1.358 1.00 0.29 H new ATOM 0 HB2 ASN A 11 1.759 6.963 -0.620 1.00 0.37 H new ATOM 0 HB3 ASN A 11 1.872 7.634 -2.234 1.00 0.37 H new ATOM 0 HD21 ASN A 11 0.695 10.564 -0.363 1.00 0.70 H new ATOM 0 HD22 ASN A 11 2.176 9.686 -0.760 1.00 0.70 H new ATOM 144 N ALA A 12 -0.151 7.823 -3.894 1.00 0.35 N ATOM 145 CA ALA A 12 -0.499 8.087 -5.329 1.00 0.44 C ATOM 146 C ALA A 12 0.304 7.150 -6.251 1.00 0.39 C ATOM 147 O ALA A 12 -0.122 6.819 -7.340 1.00 0.51 O ATOM 148 CB ALA A 12 -0.111 9.550 -5.573 1.00 0.57 C ATOM 0 H ALA A 12 0.146 8.641 -3.362 1.00 0.35 H new ATOM 0 HA ALA A 12 -1.554 7.909 -5.538 1.00 0.44 H new ATOM 0 HB1 ALA A 12 -0.336 9.819 -6.605 1.00 0.57 H new ATOM 0 HB2 ALA A 12 -0.676 10.194 -4.899 1.00 0.57 H new ATOM 0 HB3 ALA A 12 0.956 9.679 -5.389 1.00 0.57 H new ATOM 154 N SER A 13 1.460 6.713 -5.807 1.00 0.37 N ATOM 155 CA SER A 13 2.293 5.784 -6.629 1.00 0.45 C ATOM 156 C SER A 13 2.657 4.536 -5.807 1.00 0.39 C ATOM 157 O SER A 13 2.093 4.287 -4.753 1.00 0.46 O ATOM 158 CB SER A 13 3.548 6.582 -6.984 1.00 0.55 C ATOM 159 OG SER A 13 4.408 5.769 -7.778 1.00 0.75 O ATOM 0 H SER A 13 1.862 6.963 -4.904 1.00 0.37 H new ATOM 0 HA SER A 13 1.770 5.437 -7.520 1.00 0.45 H new ATOM 0 HB2 SER A 13 3.277 7.486 -7.529 1.00 0.55 H new ATOM 0 HB3 SER A 13 4.062 6.898 -6.076 1.00 0.55 H new ATOM 0 HG SER A 13 5.214 6.275 -8.011 1.00 0.75 H new ATOM 165 N ALA A 14 3.596 3.755 -6.275 1.00 0.37 N ATOM 166 CA ALA A 14 3.998 2.524 -5.520 1.00 0.37 C ATOM 167 C ALA A 14 4.971 2.874 -4.383 1.00 0.28 C ATOM 168 O ALA A 14 4.756 2.510 -3.240 1.00 0.36 O ATOM 169 CB ALA A 14 4.675 1.623 -6.560 1.00 0.46 C ATOM 0 H ALA A 14 4.103 3.914 -7.146 1.00 0.37 H new ATOM 0 HA ALA A 14 3.144 2.035 -5.052 1.00 0.37 H new ATOM 0 HB1 ALA A 14 4.999 0.698 -6.084 1.00 0.46 H new ATOM 0 HB2 ALA A 14 3.968 1.393 -7.357 1.00 0.46 H new ATOM 0 HB3 ALA A 14 5.540 2.137 -6.979 1.00 0.46 H new ATOM 175 N GLY A 15 6.038 3.575 -4.689 1.00 0.28 N ATOM 176 CA GLY A 15 7.031 3.950 -3.633 1.00 0.32 C ATOM 177 C GLY A 15 7.926 2.745 -3.303 1.00 0.27 C ATOM 178 O GLY A 15 7.683 1.647 -3.766 1.00 0.27 O ATOM 0 H GLY A 15 6.264 3.904 -5.628 1.00 0.28 H new ATOM 0 HA2 GLY A 15 7.642 4.784 -3.977 1.00 0.32 H new ATOM 0 HA3 GLY A 15 6.511 4.284 -2.735 1.00 0.32 H new ATOM 182 N PRO A 16 8.941 2.987 -2.502 1.00 0.30 N ATOM 183 CA PRO A 16 9.872 1.900 -2.109 1.00 0.30 C ATOM 184 C PRO A 16 9.181 0.754 -1.324 1.00 0.25 C ATOM 185 O PRO A 16 9.579 -0.388 -1.481 1.00 0.27 O ATOM 186 CB PRO A 16 10.951 2.619 -1.292 1.00 0.37 C ATOM 187 CG PRO A 16 10.303 3.875 -0.818 1.00 0.39 C ATOM 188 CD PRO A 16 9.322 4.270 -1.895 1.00 0.36 C ATOM 0 HA PRO A 16 10.284 1.382 -2.975 1.00 0.30 H new ATOM 0 HB2 PRO A 16 11.285 2.007 -0.454 1.00 0.37 H new ATOM 0 HB3 PRO A 16 11.830 2.833 -1.901 1.00 0.37 H new ATOM 0 HG2 PRO A 16 9.795 3.717 0.133 1.00 0.39 H new ATOM 0 HG3 PRO A 16 11.043 4.659 -0.658 1.00 0.39 H new ATOM 0 HD2 PRO A 16 8.458 4.789 -1.480 1.00 0.36 H new ATOM 0 HD3 PRO A 16 9.776 4.940 -2.625 1.00 0.36 H new ATOM 196 N PRO A 17 8.168 1.058 -0.519 1.00 0.24 N ATOM 197 CA PRO A 17 7.454 0.004 0.238 1.00 0.24 C ATOM 198 C PRO A 17 6.184 -0.419 -0.524 1.00 0.22 C ATOM 199 O PRO A 17 5.130 -0.614 0.061 1.00 0.27 O ATOM 200 CB PRO A 17 7.091 0.723 1.536 1.00 0.31 C ATOM 201 CG PRO A 17 7.038 2.188 1.187 1.00 0.32 C ATOM 202 CD PRO A 17 7.588 2.362 -0.211 1.00 0.28 C ATOM 0 HA PRO A 17 8.035 -0.905 0.394 1.00 0.24 H new ATOM 0 HB2 PRO A 17 6.132 0.377 1.921 1.00 0.31 H new ATOM 0 HB3 PRO A 17 7.833 0.531 2.311 1.00 0.31 H new ATOM 0 HG2 PRO A 17 6.013 2.554 1.240 1.00 0.32 H new ATOM 0 HG3 PRO A 17 7.622 2.770 1.900 1.00 0.32 H new ATOM 0 HD2 PRO A 17 6.804 2.629 -0.920 1.00 0.28 H new ATOM 0 HD3 PRO A 17 8.337 3.153 -0.251 1.00 0.28 H new ATOM 210 N TYR A 18 6.276 -0.535 -1.830 1.00 0.22 N ATOM 211 CA TYR A 18 5.082 -0.915 -2.659 1.00 0.23 C ATOM 212 C TYR A 18 4.417 -2.214 -2.161 1.00 0.21 C ATOM 213 O TYR A 18 4.983 -2.979 -1.397 1.00 0.29 O ATOM 214 CB TYR A 18 5.608 -1.082 -4.097 1.00 0.26 C ATOM 215 CG TYR A 18 6.806 -2.002 -4.124 1.00 0.26 C ATOM 216 CD1 TYR A 18 6.636 -3.383 -3.968 1.00 0.35 C ATOM 217 CD2 TYR A 18 8.087 -1.471 -4.305 1.00 0.39 C ATOM 218 CE1 TYR A 18 7.749 -4.231 -3.991 1.00 0.42 C ATOM 219 CE2 TYR A 18 9.199 -2.320 -4.330 1.00 0.46 C ATOM 220 CZ TYR A 18 9.029 -3.699 -4.172 1.00 0.44 C ATOM 221 OH TYR A 18 10.125 -4.532 -4.184 1.00 0.56 O ATOM 0 H TYR A 18 7.133 -0.382 -2.361 1.00 0.22 H new ATOM 0 HA TYR A 18 4.309 -0.149 -2.594 1.00 0.23 H new ATOM 0 HB2 TYR A 18 4.820 -1.484 -4.733 1.00 0.26 H new ATOM 0 HB3 TYR A 18 5.881 -0.109 -4.505 1.00 0.26 H new ATOM 0 HD1 TYR A 18 5.647 -3.794 -3.830 1.00 0.35 H new ATOM 0 HD2 TYR A 18 8.218 -0.406 -4.425 1.00 0.39 H new ATOM 0 HE1 TYR A 18 7.619 -5.296 -3.869 1.00 0.42 H new ATOM 0 HE2 TYR A 18 10.188 -1.910 -4.471 1.00 0.46 H new ATOM 0 HH TYR A 18 10.448 -4.661 -3.268 1.00 0.56 H new ATOM 231 N CYS A 19 3.208 -2.459 -2.600 1.00 0.19 N ATOM 232 CA CYS A 19 2.474 -3.694 -2.171 1.00 0.18 C ATOM 233 C CYS A 19 3.067 -4.928 -2.862 1.00 0.18 C ATOM 234 O CYS A 19 3.748 -4.819 -3.860 1.00 0.23 O ATOM 235 CB CYS A 19 1.017 -3.472 -2.602 1.00 0.20 C ATOM 236 SG CYS A 19 0.544 -1.747 -2.300 1.00 0.21 S ATOM 0 H CYS A 19 2.693 -1.855 -3.241 1.00 0.19 H new ATOM 0 HA CYS A 19 2.551 -3.867 -1.097 1.00 0.18 H new ATOM 0 HB2 CYS A 19 0.900 -3.711 -3.659 1.00 0.20 H new ATOM 0 HB3 CYS A 19 0.358 -4.142 -2.049 1.00 0.20 H new ATOM 241 N CYS A 20 2.829 -6.101 -2.331 1.00 0.18 N ATOM 242 CA CYS A 20 3.405 -7.340 -2.960 1.00 0.21 C ATOM 243 C CYS A 20 2.463 -7.950 -3.998 1.00 0.21 C ATOM 244 O CYS A 20 2.888 -8.351 -5.062 1.00 0.26 O ATOM 245 CB CYS A 20 3.617 -8.322 -1.813 1.00 0.25 C ATOM 246 SG CYS A 20 4.805 -9.591 -2.329 1.00 0.29 S ATOM 0 H CYS A 20 2.266 -6.259 -1.495 1.00 0.18 H new ATOM 0 HA CYS A 20 4.329 -7.104 -3.488 1.00 0.21 H new ATOM 0 HB2 CYS A 20 3.987 -7.797 -0.932 1.00 0.25 H new ATOM 0 HB3 CYS A 20 2.670 -8.785 -1.534 1.00 0.25 H new ATOM 251 N SER A 21 1.199 -8.042 -3.696 1.00 0.20 N ATOM 252 CA SER A 21 0.243 -8.650 -4.675 1.00 0.23 C ATOM 253 C SER A 21 -0.493 -7.550 -5.437 1.00 0.21 C ATOM 254 O SER A 21 -0.247 -7.318 -6.607 1.00 0.27 O ATOM 255 CB SER A 21 -0.734 -9.467 -3.829 1.00 0.27 C ATOM 256 OG SER A 21 -1.309 -8.618 -2.841 1.00 0.25 O ATOM 0 H SER A 21 0.784 -7.726 -2.820 1.00 0.20 H new ATOM 0 HA SER A 21 0.748 -9.270 -5.416 1.00 0.23 H new ATOM 0 HB2 SER A 21 -1.514 -9.893 -4.460 1.00 0.27 H new ATOM 0 HB3 SER A 21 -0.216 -10.301 -3.355 1.00 0.27 H new ATOM 0 HG SER A 21 -2.286 -8.670 -2.893 1.00 0.25 H new ATOM 262 N SER A 22 -1.396 -6.871 -4.778 1.00 0.18 N ATOM 263 CA SER A 22 -2.152 -5.780 -5.457 1.00 0.20 C ATOM 264 C SER A 22 -3.052 -4.985 -4.493 1.00 0.19 C ATOM 265 O SER A 22 -3.891 -4.228 -4.939 1.00 0.28 O ATOM 266 CB SER A 22 -3.013 -6.484 -6.511 1.00 0.26 C ATOM 267 OG SER A 22 -2.326 -6.485 -7.758 1.00 0.36 O ATOM 0 H SER A 22 -1.641 -7.026 -3.800 1.00 0.18 H new ATOM 0 HA SER A 22 -1.462 -5.051 -5.882 1.00 0.20 H new ATOM 0 HB2 SER A 22 -3.225 -7.507 -6.199 1.00 0.26 H new ATOM 0 HB3 SER A 22 -3.972 -5.976 -6.612 1.00 0.26 H new ATOM 0 HG SER A 22 -1.491 -6.991 -7.671 1.00 0.36 H new ATOM 273 N TYR A 23 -2.909 -5.116 -3.191 1.00 0.15 N ATOM 274 CA TYR A 23 -3.804 -4.313 -2.298 1.00 0.15 C ATOM 275 C TYR A 23 -3.053 -3.125 -1.702 1.00 0.14 C ATOM 276 O TYR A 23 -1.898 -3.218 -1.330 1.00 0.16 O ATOM 277 CB TYR A 23 -4.269 -5.242 -1.187 1.00 0.18 C ATOM 278 CG TYR A 23 -5.516 -4.672 -0.548 1.00 0.19 C ATOM 279 CD1 TYR A 23 -5.402 -3.667 0.420 1.00 0.24 C ATOM 280 CD2 TYR A 23 -6.780 -5.138 -0.929 1.00 0.30 C ATOM 281 CE1 TYR A 23 -6.551 -3.131 1.011 1.00 0.27 C ATOM 282 CE2 TYR A 23 -7.930 -4.598 -0.337 1.00 0.33 C ATOM 283 CZ TYR A 23 -7.815 -3.594 0.632 1.00 0.27 C ATOM 284 OH TYR A 23 -8.947 -3.062 1.212 1.00 0.32 O ATOM 0 H TYR A 23 -2.235 -5.722 -2.723 1.00 0.15 H new ATOM 0 HA TYR A 23 -4.648 -3.916 -2.863 1.00 0.15 H new ATOM 0 HB2 TYR A 23 -4.473 -6.234 -1.589 1.00 0.18 H new ATOM 0 HB3 TYR A 23 -3.483 -5.356 -0.440 1.00 0.18 H new ATOM 0 HD1 TYR A 23 -4.427 -3.305 0.711 1.00 0.24 H new ATOM 0 HD2 TYR A 23 -6.869 -5.912 -1.677 1.00 0.30 H new ATOM 0 HE1 TYR A 23 -6.462 -2.359 1.761 1.00 0.27 H new ATOM 0 HE2 TYR A 23 -8.906 -4.957 -0.629 1.00 0.33 H new ATOM 0 HH TYR A 23 -9.742 -3.494 0.835 1.00 0.32 H new ATOM 294 N CYS A 24 -3.727 -2.018 -1.599 1.00 0.14 N ATOM 295 CA CYS A 24 -3.114 -0.784 -1.018 1.00 0.14 C ATOM 296 C CYS A 24 -4.204 0.096 -0.385 1.00 0.15 C ATOM 297 O CYS A 24 -4.983 0.720 -1.079 1.00 0.20 O ATOM 298 CB CYS A 24 -2.461 -0.065 -2.204 1.00 0.18 C ATOM 299 SG CYS A 24 -2.067 1.644 -1.747 1.00 0.24 S ATOM 0 H CYS A 24 -4.696 -1.909 -1.897 1.00 0.14 H new ATOM 0 HA CYS A 24 -2.391 -1.010 -0.235 1.00 0.14 H new ATOM 0 HB2 CYS A 24 -1.553 -0.589 -2.504 1.00 0.18 H new ATOM 0 HB3 CYS A 24 -3.133 -0.076 -3.062 1.00 0.18 H new ATOM 304 N PHE A 25 -4.268 0.152 0.916 1.00 0.16 N ATOM 305 CA PHE A 25 -5.310 0.989 1.584 1.00 0.17 C ATOM 306 C PHE A 25 -4.762 2.393 1.874 1.00 0.18 C ATOM 307 O PHE A 25 -4.219 2.647 2.931 1.00 0.25 O ATOM 308 CB PHE A 25 -5.615 0.253 2.887 1.00 0.21 C ATOM 309 CG PHE A 25 -7.051 0.501 3.279 1.00 0.27 C ATOM 310 CD1 PHE A 25 -8.071 -0.312 2.770 1.00 0.42 C ATOM 311 CD2 PHE A 25 -7.363 1.552 4.149 1.00 0.51 C ATOM 312 CE1 PHE A 25 -9.402 -0.074 3.131 1.00 0.49 C ATOM 313 CE2 PHE A 25 -8.694 1.790 4.510 1.00 0.60 C ATOM 314 CZ PHE A 25 -9.713 0.977 4.002 1.00 0.49 C ATOM 0 H PHE A 25 -3.643 -0.346 1.549 1.00 0.16 H new ATOM 0 HA PHE A 25 -6.198 1.121 0.966 1.00 0.17 H new ATOM 0 HB2 PHE A 25 -5.440 -0.816 2.763 1.00 0.21 H new ATOM 0 HB3 PHE A 25 -4.947 0.596 3.677 1.00 0.21 H new ATOM 0 HD1 PHE A 25 -7.831 -1.123 2.099 1.00 0.42 H new ATOM 0 HD2 PHE A 25 -6.577 2.179 4.542 1.00 0.51 H new ATOM 0 HE1 PHE A 25 -10.189 -0.701 2.738 1.00 0.49 H new ATOM 0 HE2 PHE A 25 -8.935 2.601 5.181 1.00 0.60 H new ATOM 0 HZ PHE A 25 -10.740 1.160 4.282 1.00 0.49 H new ATOM 324 N GLN A 26 -4.892 3.296 0.940 1.00 0.19 N ATOM 325 CA GLN A 26 -4.371 4.684 1.154 1.00 0.19 C ATOM 326 C GLN A 26 -5.521 5.697 1.215 1.00 0.21 C ATOM 327 O GLN A 26 -6.555 5.518 0.601 1.00 0.27 O ATOM 328 CB GLN A 26 -3.468 4.938 -0.053 1.00 0.22 C ATOM 329 CG GLN A 26 -3.053 6.412 -0.087 1.00 0.27 C ATOM 330 CD GLN A 26 -3.627 7.098 -1.331 1.00 0.37 C ATOM 331 OE1 GLN A 26 -4.674 6.731 -1.822 1.00 0.55 O ATOM 332 NE2 GLN A 26 -2.981 8.091 -1.865 1.00 0.43 N ATOM 0 H GLN A 26 -5.336 3.136 0.036 1.00 0.19 H new ATOM 0 HA GLN A 26 -3.835 4.790 2.097 1.00 0.19 H new ATOM 0 HB2 GLN A 26 -2.584 4.303 0.002 1.00 0.22 H new ATOM 0 HB3 GLN A 26 -3.992 4.676 -0.972 1.00 0.22 H new ATOM 0 HG2 GLN A 26 -3.407 6.917 0.811 1.00 0.27 H new ATOM 0 HG3 GLN A 26 -1.966 6.491 -0.089 1.00 0.27 H new ATOM 0 HE21 GLN A 26 -2.100 8.405 -1.457 1.00 0.43 H new ATOM 0 HE22 GLN A 26 -3.355 8.557 -2.692 1.00 0.43 H new ATOM 341 N ILE A 27 -5.344 6.761 1.964 1.00 0.22 N ATOM 342 CA ILE A 27 -6.428 7.796 2.078 1.00 0.27 C ATOM 343 C ILE A 27 -5.895 9.194 1.726 1.00 0.27 C ATOM 344 O ILE A 27 -4.701 9.435 1.703 1.00 0.28 O ATOM 345 CB ILE A 27 -6.930 7.773 3.531 1.00 0.34 C ATOM 346 CG1 ILE A 27 -6.009 6.939 4.434 1.00 0.45 C ATOM 347 CG2 ILE A 27 -8.338 7.175 3.561 1.00 0.53 C ATOM 348 CD1 ILE A 27 -6.562 6.925 5.861 1.00 0.59 C ATOM 0 H ILE A 27 -4.499 6.959 2.500 1.00 0.22 H new ATOM 0 HA ILE A 27 -7.235 7.572 1.381 1.00 0.27 H new ATOM 0 HB ILE A 27 -6.937 8.796 3.907 1.00 0.34 H new ATOM 0 HG12 ILE A 27 -5.934 5.921 4.052 1.00 0.45 H new ATOM 0 HG13 ILE A 27 -5.002 7.356 4.428 1.00 0.45 H new ATOM 0 HG21 ILE A 27 -8.703 7.154 4.588 1.00 0.53 H new ATOM 0 HG22 ILE A 27 -9.005 7.784 2.951 1.00 0.53 H new ATOM 0 HG23 ILE A 27 -8.311 6.160 3.165 1.00 0.53 H new ATOM 0 HD11 ILE A 27 -5.907 6.333 6.499 1.00 0.59 H new ATOM 0 HD12 ILE A 27 -6.614 7.945 6.241 1.00 0.59 H new ATOM 0 HD13 ILE A 27 -7.560 6.487 5.860 1.00 0.59 H new ATOM 360 N ALA A 28 -6.786 10.116 1.448 1.00 0.36 N ATOM 361 CA ALA A 28 -6.361 11.508 1.082 1.00 0.43 C ATOM 362 C ALA A 28 -6.243 12.422 2.319 1.00 0.46 C ATOM 363 O ALA A 28 -6.167 13.629 2.192 1.00 0.85 O ATOM 364 CB ALA A 28 -7.465 12.010 0.146 1.00 0.55 C ATOM 0 H ALA A 28 -7.795 9.965 1.459 1.00 0.36 H new ATOM 0 HA ALA A 28 -5.374 11.516 0.619 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -7.237 13.027 -0.174 1.00 0.55 H new ATOM 0 HB2 ALA A 28 -7.525 11.360 -0.727 1.00 0.55 H new ATOM 0 HB3 ALA A 28 -8.420 12.001 0.672 1.00 0.55 H new ATOM 370 N GLY A 29 -6.221 11.868 3.508 1.00 0.48 N ATOM 371 CA GLY A 29 -6.104 12.722 4.733 1.00 0.56 C ATOM 372 C GLY A 29 -4.642 13.126 4.947 1.00 0.52 C ATOM 373 O GLY A 29 -4.323 14.291 5.081 1.00 0.70 O ATOM 0 H GLY A 29 -6.279 10.865 3.683 1.00 0.48 H new ATOM 0 HA2 GLY A 29 -6.725 13.612 4.628 1.00 0.56 H new ATOM 0 HA3 GLY A 29 -6.471 12.178 5.603 1.00 0.56 H new ATOM 377 N GLN A 30 -3.756 12.165 4.985 1.00 0.43 N ATOM 378 CA GLN A 30 -2.308 12.480 5.197 1.00 0.47 C ATOM 379 C GLN A 30 -1.440 11.974 4.034 1.00 0.43 C ATOM 380 O GLN A 30 -0.227 12.010 4.110 1.00 0.51 O ATOM 381 CB GLN A 30 -1.940 11.743 6.478 1.00 0.55 C ATOM 382 CG GLN A 30 -1.578 12.761 7.562 1.00 0.67 C ATOM 383 CD GLN A 30 -1.835 12.165 8.947 1.00 1.33 C ATOM 384 OE1 GLN A 30 -2.186 11.009 9.073 1.00 1.79 O ATOM 385 NE2 GLN A 30 -1.671 12.907 9.999 1.00 2.25 N ATOM 0 H GLN A 30 -3.971 11.174 4.878 1.00 0.43 H new ATOM 0 HA GLN A 30 -2.139 13.555 5.257 1.00 0.47 H new ATOM 0 HB2 GLN A 30 -2.775 11.125 6.808 1.00 0.55 H new ATOM 0 HB3 GLN A 30 -1.099 11.073 6.297 1.00 0.55 H new ATOM 0 HG2 GLN A 30 -0.530 13.047 7.469 1.00 0.67 H new ATOM 0 HG3 GLN A 30 -2.168 13.668 7.432 1.00 0.67 H new ATOM 0 HE21 GLN A 30 -1.376 13.878 9.897 1.00 2.25 H new ATOM 0 HE22 GLN A 30 -1.837 12.519 10.928 1.00 2.25 H new ATOM 394 N SER A 31 -2.043 11.491 2.971 1.00 0.36 N ATOM 395 CA SER A 31 -1.250 10.968 1.809 1.00 0.38 C ATOM 396 C SER A 31 -0.473 9.715 2.233 1.00 0.34 C ATOM 397 O SER A 31 0.732 9.629 2.088 1.00 0.40 O ATOM 398 CB SER A 31 -0.295 12.098 1.404 1.00 0.50 C ATOM 399 OG SER A 31 0.127 11.894 0.057 1.00 0.67 O ATOM 0 H SER A 31 -3.055 11.436 2.858 1.00 0.36 H new ATOM 0 HA SER A 31 -1.889 10.683 0.973 1.00 0.38 H new ATOM 0 HB2 SER A 31 -0.793 13.063 1.500 1.00 0.50 H new ATOM 0 HB3 SER A 31 0.568 12.117 2.069 1.00 0.50 H new ATOM 0 HG SER A 31 1.045 12.219 -0.051 1.00 0.67 H new ATOM 405 N TYR A 32 -1.166 8.740 2.764 1.00 0.28 N ATOM 406 CA TYR A 32 -0.486 7.485 3.205 1.00 0.27 C ATOM 407 C TYR A 32 -1.422 6.277 3.048 1.00 0.22 C ATOM 408 O TYR A 32 -2.633 6.397 3.146 1.00 0.28 O ATOM 409 CB TYR A 32 -0.106 7.727 4.674 1.00 0.32 C ATOM 410 CG TYR A 32 -1.295 7.524 5.589 1.00 0.32 C ATOM 411 CD1 TYR A 32 -2.180 8.578 5.838 1.00 0.42 C ATOM 412 CD2 TYR A 32 -1.491 6.285 6.208 1.00 0.41 C ATOM 413 CE1 TYR A 32 -3.259 8.394 6.712 1.00 0.50 C ATOM 414 CE2 TYR A 32 -2.574 6.098 7.076 1.00 0.51 C ATOM 415 CZ TYR A 32 -3.455 7.153 7.329 1.00 0.52 C ATOM 416 OH TYR A 32 -4.511 6.975 8.198 1.00 0.66 O ATOM 0 H TYR A 32 -2.175 8.759 2.911 1.00 0.28 H new ATOM 0 HA TYR A 32 0.394 7.258 2.603 1.00 0.27 H new ATOM 0 HB2 TYR A 32 0.697 7.048 4.961 1.00 0.32 H new ATOM 0 HB3 TYR A 32 0.277 8.741 4.791 1.00 0.32 H new ATOM 0 HD1 TYR A 32 -2.032 9.533 5.357 1.00 0.42 H new ATOM 0 HD2 TYR A 32 -0.807 5.472 6.016 1.00 0.41 H new ATOM 0 HE1 TYR A 32 -3.939 9.209 6.910 1.00 0.50 H new ATOM 0 HE2 TYR A 32 -2.728 5.140 7.549 1.00 0.51 H new ATOM 0 HH TYR A 32 -4.504 6.056 8.538 1.00 0.66 H new ATOM 426 N GLY A 33 -0.870 5.118 2.784 1.00 0.22 N ATOM 427 CA GLY A 33 -1.722 3.905 2.601 1.00 0.27 C ATOM 428 C GLY A 33 -0.989 2.648 3.060 1.00 0.24 C ATOM 429 O GLY A 33 0.207 2.660 3.302 1.00 0.30 O ATOM 0 H GLY A 33 0.133 4.961 2.688 1.00 0.22 H new ATOM 0 HA2 GLY A 33 -2.647 4.018 3.166 1.00 0.27 H new ATOM 0 HA3 GLY A 33 -1.999 3.806 1.552 1.00 0.27 H new ATOM 433 N VAL A 34 -1.696 1.554 3.162 1.00 0.20 N ATOM 434 CA VAL A 34 -1.044 0.278 3.595 1.00 0.20 C ATOM 435 C VAL A 34 -1.375 -0.843 2.609 1.00 0.18 C ATOM 436 O VAL A 34 -2.509 -1.019 2.207 1.00 0.22 O ATOM 437 CB VAL A 34 -1.596 -0.038 4.995 1.00 0.26 C ATOM 438 CG1 VAL A 34 -1.081 0.999 5.994 1.00 0.35 C ATOM 439 CG2 VAL A 34 -3.127 -0.005 4.981 1.00 0.36 C ATOM 0 H VAL A 34 -2.695 1.486 2.965 1.00 0.20 H new ATOM 0 HA VAL A 34 0.042 0.371 3.620 1.00 0.20 H new ATOM 0 HB VAL A 34 -1.262 -1.033 5.288 1.00 0.26 H new ATOM 0 HG11 VAL A 34 -1.473 0.774 6.986 1.00 0.35 H new ATOM 0 HG12 VAL A 34 0.008 0.971 6.019 1.00 0.35 H new ATOM 0 HG13 VAL A 34 -1.411 1.992 5.690 1.00 0.35 H new ATOM 0 HG21 VAL A 34 -3.505 -0.230 5.978 1.00 0.36 H new ATOM 0 HG22 VAL A 34 -3.467 0.986 4.680 1.00 0.36 H new ATOM 0 HG23 VAL A 34 -3.500 -0.747 4.275 1.00 0.36 H new ATOM 449 N CYS A 35 -0.392 -1.596 2.201 1.00 0.16 N ATOM 450 CA CYS A 35 -0.656 -2.690 1.221 1.00 0.15 C ATOM 451 C CYS A 35 -1.067 -3.984 1.916 1.00 0.15 C ATOM 452 O CYS A 35 -0.810 -4.202 3.088 1.00 0.19 O ATOM 453 CB CYS A 35 0.651 -2.911 0.478 1.00 0.16 C ATOM 454 SG CYS A 35 1.125 -1.400 -0.396 1.00 0.20 S ATOM 0 H CYS A 35 0.578 -1.503 2.501 1.00 0.16 H new ATOM 0 HA CYS A 35 -1.474 -2.412 0.557 1.00 0.15 H new ATOM 0 HB2 CYS A 35 1.435 -3.197 1.180 1.00 0.16 H new ATOM 0 HB3 CYS A 35 0.542 -3.732 -0.230 1.00 0.16 H new ATOM 459 N LYS A 36 -1.702 -4.838 1.171 1.00 0.15 N ATOM 460 CA LYS A 36 -2.167 -6.153 1.716 1.00 0.17 C ATOM 461 C LYS A 36 -2.204 -7.221 0.611 1.00 0.16 C ATOM 462 O LYS A 36 -1.987 -6.935 -0.555 1.00 0.18 O ATOM 463 CB LYS A 36 -3.576 -5.883 2.239 1.00 0.21 C ATOM 464 CG LYS A 36 -3.694 -6.393 3.677 1.00 0.28 C ATOM 465 CD LYS A 36 -4.226 -7.828 3.660 1.00 0.32 C ATOM 466 CE LYS A 36 -3.307 -8.739 4.485 1.00 0.37 C ATOM 467 NZ LYS A 36 -3.867 -8.721 5.870 1.00 0.45 N ATOM 0 H LYS A 36 -1.926 -4.684 0.188 1.00 0.15 H new ATOM 0 HA LYS A 36 -1.500 -6.530 2.492 1.00 0.17 H new ATOM 0 HB2 LYS A 36 -3.790 -4.815 2.202 1.00 0.21 H new ATOM 0 HB3 LYS A 36 -4.312 -6.378 1.605 1.00 0.21 H new ATOM 0 HG2 LYS A 36 -2.722 -6.359 4.169 1.00 0.28 H new ATOM 0 HG3 LYS A 36 -4.363 -5.751 4.249 1.00 0.28 H new ATOM 0 HD2 LYS A 36 -5.237 -7.854 4.066 1.00 0.32 H new ATOM 0 HD3 LYS A 36 -4.285 -8.191 2.634 1.00 0.32 H new ATOM 0 HE2 LYS A 36 -3.292 -9.751 4.081 1.00 0.37 H new ATOM 0 HE3 LYS A 36 -2.280 -8.375 4.472 1.00 0.37 H new ATOM 0 HZ1 LYS A 36 -3.135 -8.402 6.536 1.00 0.45 H new ATOM 0 HZ2 LYS A 36 -4.677 -8.070 5.908 1.00 0.45 H new ATOM 0 HZ3 LYS A 36 -4.179 -9.678 6.131 1.00 0.45 H new ATOM 481 N ASN A 37 -2.492 -8.443 0.980 1.00 0.19 N ATOM 482 CA ASN A 37 -2.572 -9.556 -0.018 1.00 0.20 C ATOM 483 C ASN A 37 -3.753 -9.318 -0.970 1.00 0.18 C ATOM 484 O ASN A 37 -3.571 -9.113 -2.156 1.00 0.22 O ATOM 485 CB ASN A 37 -2.809 -10.823 0.817 1.00 0.25 C ATOM 486 CG ASN A 37 -1.479 -11.367 1.341 1.00 0.34 C ATOM 487 OD1 ASN A 37 -1.115 -11.125 2.472 1.00 0.45 O ATOM 488 ND2 ASN A 37 -0.735 -12.100 0.568 1.00 0.53 N ATOM 0 H ASN A 37 -2.678 -8.722 1.943 1.00 0.19 H new ATOM 0 HA ASN A 37 -1.672 -9.632 -0.629 1.00 0.20 H new ATOM 0 HB2 ASN A 37 -3.473 -10.598 1.652 1.00 0.25 H new ATOM 0 HB3 ASN A 37 -3.306 -11.580 0.210 1.00 0.25 H new ATOM 0 HD21 ASN A 37 0.151 -12.469 0.913 1.00 0.53 H new ATOM 0 HD22 ASN A 37 -1.037 -12.306 -0.384 1.00 0.53 H new ATOM 495 N ARG A 38 -4.955 -9.338 -0.448 1.00 0.21 N ATOM 496 CA ARG A 38 -6.165 -9.108 -1.285 1.00 0.24 C ATOM 497 C ARG A 38 -7.363 -8.724 -0.396 1.00 0.35 C ATOM 498 CB ARG A 38 -6.424 -10.439 -1.997 1.00 0.32 C ATOM 499 CG ARG A 38 -6.581 -10.199 -3.506 1.00 0.39 C ATOM 500 CD ARG A 38 -7.963 -9.598 -3.799 1.00 0.36 C ATOM 501 NE ARG A 38 -8.940 -10.674 -3.445 1.00 0.44 N ATOM 502 CZ ARG A 38 -10.156 -10.371 -3.103 1.00 0.50 C ATOM 503 NH1 ARG A 38 -10.369 -9.579 -2.098 1.00 0.53 N ATOM 504 NH2 ARG A 38 -11.154 -10.858 -3.772 1.00 0.61 N ATOM 0 H ARG A 38 -5.148 -9.507 0.539 1.00 0.21 H new ATOM 0 HA ARG A 38 -6.024 -8.293 -1.995 1.00 0.24 H new ATOM 0 HB2 ARG A 38 -5.599 -11.127 -1.813 1.00 0.32 H new ATOM 0 HB3 ARG A 38 -7.324 -10.906 -1.598 1.00 0.32 H new ATOM 0 HG2 ARG A 38 -5.800 -9.526 -3.859 1.00 0.39 H new ATOM 0 HG3 ARG A 38 -6.461 -11.138 -4.047 1.00 0.39 H new ATOM 0 HD2 ARG A 38 -8.135 -8.699 -3.207 1.00 0.36 H new ATOM 0 HD3 ARG A 38 -8.054 -9.312 -4.847 1.00 0.36 H new ATOM 0 HE ARG A 38 -8.650 -11.651 -3.472 1.00 0.44 H new ATOM 0 HH11 ARG A 38 -9.582 -9.194 -1.576 1.00 0.53 H new ATOM 0 HH12 ARG A 38 -11.324 -9.341 -1.830 1.00 0.53 H new ATOM 0 HH21 ARG A 38 -10.983 -11.477 -4.564 1.00 0.61 H new ATOM 0 HH22 ARG A 38 -12.110 -10.622 -3.506 1.00 0.61 H new TER 518 ARG A 38