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= -0.851 K(o=-0.25,f=-20!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ 176:sc= 0.606 (180deg=-0.171) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.716 K(o=2.9,f=-9.2!) USER MOD Set 2.2: A 31 SER OG : rot -60:sc= 2.15 USER MOD Set 3.1: A 21 SER OG : rot 81:sc= 1.11 USER MOD Set 3.2: A 37 ASN : amide:sc= 0.707 K(o=1.8,f=-7.3!) USER MOD Set 4.1: A 1 ALA N :NH3+ -138:sc= 0.893 (180deg=0) USER MOD Set 4.2: A 18 TYR OH : rot -16:sc= 1.82 USER MOD Single : A 5 LYS NZ :NH3+ 149:sc= 0.663 (180deg=-0.555!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 22 SER OG : rot 64:sc= 1.14 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.51 K(o=-1.5,f=-13!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc=-0.00231 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.034 -2.868 -6.231 1.00 0.95 N ATOM 2 CA ALA A 1 12.839 -4.001 -5.673 1.00 0.91 C ATOM 3 C ALA A 1 12.218 -4.488 -4.357 1.00 0.63 C ATOM 4 O ALA A 1 12.135 -3.750 -3.394 1.00 0.78 O ATOM 5 CB ALA A 1 14.239 -3.422 -5.434 1.00 1.31 C ATOM 0 H1 ALA A 1 11.933 -2.987 -7.259 1.00 0.95 H new ATOM 0 H2 ALA A 1 11.092 -2.861 -5.789 1.00 0.95 H new ATOM 0 H3 ALA A 1 12.517 -1.968 -6.032 1.00 0.95 H new ATOM 0 HA ALA A 1 12.870 -4.858 -6.346 1.00 0.91 H new ATOM 0 HB1 ALA A 1 14.888 -4.196 -5.024 1.00 1.31 H new ATOM 0 HB2 ALA A 1 14.651 -3.065 -6.378 1.00 1.31 H new ATOM 0 HB3 ALA A 1 14.174 -2.593 -4.730 1.00 1.31 H new ATOM 10 N GLY A 2 11.765 -5.716 -4.315 1.00 0.58 N ATOM 11 CA GLY A 2 11.133 -6.241 -3.063 1.00 0.67 C ATOM 12 C GLY A 2 9.666 -5.795 -2.999 1.00 0.64 C ATOM 13 O GLY A 2 9.233 -4.941 -3.753 1.00 0.77 O ATOM 0 H GLY A 2 11.805 -6.377 -5.091 1.00 0.58 H new ATOM 0 HA2 GLY A 2 11.194 -7.329 -3.042 1.00 0.67 H new ATOM 0 HA3 GLY A 2 11.673 -5.875 -2.190 1.00 0.67 H new ATOM 17 N CYS A 3 8.897 -6.366 -2.106 1.00 0.59 N ATOM 18 CA CYS A 3 7.451 -5.979 -1.988 1.00 0.58 C ATOM 19 C CYS A 3 6.895 -6.396 -0.621 1.00 0.53 C ATOM 20 O CYS A 3 7.369 -7.341 -0.011 1.00 0.50 O ATOM 21 CB CYS A 3 6.738 -6.749 -3.107 1.00 0.55 C ATOM 22 SG CYS A 3 6.485 -8.467 -2.586 1.00 0.44 S ATOM 0 H CYS A 3 9.205 -7.085 -1.451 1.00 0.59 H new ATOM 0 HA CYS A 3 7.309 -4.902 -2.075 1.00 0.58 H new ATOM 0 HB2 CYS A 3 5.780 -6.281 -3.333 1.00 0.55 H new ATOM 0 HB3 CYS A 3 7.331 -6.718 -4.021 1.00 0.55 H new ATOM 27 N ILE A 4 5.884 -5.720 -0.137 1.00 0.60 N ATOM 28 CA ILE A 4 5.299 -6.105 1.189 1.00 0.65 C ATOM 29 C ILE A 4 4.084 -7.015 0.967 1.00 0.55 C ATOM 30 O ILE A 4 3.223 -6.729 0.157 1.00 0.54 O ATOM 31 CB ILE A 4 4.885 -4.792 1.867 1.00 0.87 C ATOM 32 CG1 ILE A 4 6.075 -3.817 1.897 1.00 0.92 C ATOM 33 CG2 ILE A 4 4.437 -5.087 3.303 1.00 1.05 C ATOM 34 CD1 ILE A 4 7.189 -4.376 2.791 1.00 1.01 C ATOM 0 H ILE A 4 5.440 -4.925 -0.596 1.00 0.60 H new ATOM 0 HA ILE A 4 6.008 -6.653 1.809 1.00 0.65 H new ATOM 0 HB ILE A 4 4.067 -4.340 1.306 1.00 0.87 H new ATOM 0 HG12 ILE A 4 6.453 -3.660 0.887 1.00 0.92 H new ATOM 0 HG13 ILE A 4 5.751 -2.846 2.271 1.00 0.92 H new ATOM 0 HG21 ILE A 4 4.142 -4.158 3.790 1.00 1.05 H new ATOM 0 HG22 ILE A 4 3.590 -5.773 3.286 1.00 1.05 H new ATOM 0 HG23 ILE A 4 5.260 -5.540 3.855 1.00 1.05 H new ATOM 0 HD11 ILE A 4 8.027 -3.679 2.806 1.00 1.01 H new ATOM 0 HD12 ILE A 4 6.810 -4.510 3.804 1.00 1.01 H new ATOM 0 HD13 ILE A 4 7.523 -5.337 2.399 1.00 1.01 H new ATOM 46 N LYS A 5 4.026 -8.122 1.660 1.00 0.58 N ATOM 47 CA LYS A 5 2.893 -9.074 1.477 1.00 0.52 C ATOM 48 C LYS A 5 1.615 -8.575 2.177 1.00 0.49 C ATOM 49 O LYS A 5 0.679 -8.146 1.531 1.00 0.67 O ATOM 50 CB LYS A 5 3.390 -10.390 2.088 1.00 0.58 C ATOM 51 CG LYS A 5 4.326 -11.093 1.094 1.00 0.67 C ATOM 52 CD LYS A 5 5.788 -10.755 1.421 1.00 0.63 C ATOM 53 CE LYS A 5 6.570 -10.526 0.120 1.00 0.57 C ATOM 54 NZ LYS A 5 7.735 -9.666 0.501 1.00 0.60 N ATOM 0 H LYS A 5 4.721 -8.409 2.350 1.00 0.58 H new ATOM 0 HA LYS A 5 2.620 -9.186 0.428 1.00 0.52 H new ATOM 0 HB2 LYS A 5 3.915 -10.194 3.023 1.00 0.58 H new ATOM 0 HB3 LYS A 5 2.544 -11.035 2.327 1.00 0.58 H new ATOM 0 HG2 LYS A 5 4.174 -12.171 1.139 1.00 0.67 H new ATOM 0 HG3 LYS A 5 4.091 -10.781 0.077 1.00 0.67 H new ATOM 0 HD2 LYS A 5 5.834 -9.863 2.046 1.00 0.63 H new ATOM 0 HD3 LYS A 5 6.240 -11.567 1.990 1.00 0.63 H new ATOM 0 HE2 LYS A 5 6.903 -11.471 -0.309 1.00 0.57 H new ATOM 0 HE3 LYS A 5 5.949 -10.036 -0.630 1.00 0.57 H new ATOM 0 HZ1 LYS A 5 8.543 -9.883 -0.116 1.00 0.60 H new ATOM 0 HZ2 LYS A 5 7.477 -8.664 0.394 1.00 0.60 H new ATOM 0 HZ3 LYS A 5 7.995 -9.852 1.491 1.00 0.60 H new ATOM 68 N ASN A 6 1.561 -8.628 3.485 1.00 0.40 N ATOM 69 CA ASN A 6 0.334 -8.155 4.203 1.00 0.41 C ATOM 70 C ASN A 6 0.700 -7.093 5.252 1.00 0.41 C ATOM 71 O ASN A 6 1.172 -7.410 6.326 1.00 0.67 O ATOM 72 CB ASN A 6 -0.242 -9.407 4.881 1.00 0.44 C ATOM 73 CG ASN A 6 -0.813 -10.367 3.833 1.00 0.48 C ATOM 74 OD1 ASN A 6 -1.864 -10.123 3.271 1.00 0.58 O ATOM 75 ND2 ASN A 6 -0.171 -11.461 3.547 1.00 0.61 N ATOM 0 H ASN A 6 2.309 -8.976 4.085 1.00 0.40 H new ATOM 0 HA ASN A 6 -0.383 -7.692 3.525 1.00 0.41 H new ATOM 0 HB2 ASN A 6 0.537 -9.908 5.456 1.00 0.44 H new ATOM 0 HB3 ASN A 6 -1.023 -9.120 5.585 1.00 0.44 H new ATOM 0 HD21 ASN A 6 -0.549 -12.108 2.855 1.00 0.61 H new ATOM 0 HD22 ASN A 6 0.711 -11.672 4.014 1.00 0.61 H new ATOM 82 N GLY A 7 0.481 -5.836 4.947 1.00 0.38 N ATOM 83 CA GLY A 7 0.811 -4.754 5.930 1.00 0.44 C ATOM 84 C GLY A 7 2.000 -3.929 5.427 1.00 0.41 C ATOM 85 O GLY A 7 3.038 -3.882 6.053 1.00 0.51 O ATOM 0 H GLY A 7 0.089 -5.513 4.063 1.00 0.38 H new ATOM 0 HA2 GLY A 7 -0.055 -4.108 6.075 1.00 0.44 H new ATOM 0 HA3 GLY A 7 1.047 -5.193 6.899 1.00 0.44 H new ATOM 89 N GLY A 8 1.852 -3.274 4.303 1.00 0.42 N ATOM 90 CA GLY A 8 2.978 -2.441 3.765 1.00 0.46 C ATOM 91 C GLY A 8 2.557 -0.970 3.722 1.00 0.37 C ATOM 92 O GLY A 8 1.652 -0.559 4.418 1.00 0.37 O ATOM 0 H GLY A 8 1.005 -3.278 3.735 1.00 0.42 H new ATOM 0 HA2 GLY A 8 3.862 -2.558 4.392 1.00 0.46 H new ATOM 0 HA3 GLY A 8 3.249 -2.781 2.766 1.00 0.46 H new ATOM 96 N ARG A 9 3.198 -0.178 2.901 1.00 0.39 N ATOM 97 CA ARG A 9 2.828 1.268 2.801 1.00 0.33 C ATOM 98 C ARG A 9 2.855 1.727 1.340 1.00 0.32 C ATOM 99 O ARG A 9 3.801 1.467 0.621 1.00 0.43 O ATOM 100 CB ARG A 9 3.903 2.001 3.602 1.00 0.42 C ATOM 101 CG ARG A 9 3.245 3.022 4.536 1.00 0.48 C ATOM 102 CD ARG A 9 2.592 4.147 3.726 1.00 0.47 C ATOM 103 NE ARG A 9 3.672 5.152 3.501 1.00 0.45 N ATOM 104 CZ ARG A 9 3.728 5.800 2.379 1.00 0.43 C ATOM 105 NH1 ARG A 9 4.371 5.303 1.375 1.00 0.59 N ATOM 106 NH2 ARG A 9 3.139 6.944 2.255 1.00 0.54 N ATOM 0 H ARG A 9 3.964 -0.470 2.294 1.00 0.39 H new ATOM 0 HA ARG A 9 1.824 1.462 3.177 1.00 0.33 H new ATOM 0 HB2 ARG A 9 4.488 1.287 4.182 1.00 0.42 H new ATOM 0 HB3 ARG A 9 4.594 2.505 2.926 1.00 0.42 H new ATOM 0 HG2 ARG A 9 2.495 2.528 5.154 1.00 0.48 H new ATOM 0 HG3 ARG A 9 3.991 3.439 5.212 1.00 0.48 H new ATOM 0 HD2 ARG A 9 2.200 3.773 2.780 1.00 0.47 H new ATOM 0 HD3 ARG A 9 1.754 4.586 4.268 1.00 0.47 H new ATOM 0 HE ARG A 9 4.365 5.329 4.228 1.00 0.45 H new ATOM 0 HH11 ARG A 9 4.836 4.399 1.464 1.00 0.59 H new ATOM 0 HH12 ARG A 9 4.414 5.814 0.493 1.00 0.59 H new ATOM 0 HH21 ARG A 9 2.627 7.342 3.042 1.00 0.54 H new ATOM 0 HH22 ARG A 9 3.187 7.449 1.370 1.00 0.54 H new ATOM 120 N CYS A 10 1.839 2.418 0.891 1.00 0.23 N ATOM 121 CA CYS A 10 1.847 2.893 -0.531 1.00 0.23 C ATOM 122 C CYS A 10 1.562 4.397 -0.623 1.00 0.22 C ATOM 123 O CYS A 10 1.120 5.018 0.328 1.00 0.26 O ATOM 124 CB CYS A 10 0.766 2.088 -1.275 1.00 0.26 C ATOM 125 SG CYS A 10 -0.616 1.677 -0.174 1.00 0.29 S ATOM 0 H CYS A 10 1.015 2.672 1.435 1.00 0.23 H new ATOM 0 HA CYS A 10 2.830 2.738 -0.977 1.00 0.23 H new ATOM 0 HB2 CYS A 10 0.399 2.664 -2.124 1.00 0.26 H new ATOM 0 HB3 CYS A 10 1.201 1.172 -1.675 1.00 0.26 H new ATOM 130 N ASN A 11 1.825 4.979 -1.769 1.00 0.24 N ATOM 131 CA ASN A 11 1.589 6.447 -1.959 1.00 0.25 C ATOM 132 C ASN A 11 0.499 6.687 -3.020 1.00 0.28 C ATOM 133 O ASN A 11 -0.032 5.757 -3.601 1.00 0.35 O ATOM 134 CB ASN A 11 2.937 6.996 -2.441 1.00 0.31 C ATOM 135 CG ASN A 11 3.638 7.732 -1.296 1.00 0.39 C ATOM 136 OD1 ASN A 11 3.913 7.154 -0.264 1.00 0.58 O ATOM 137 ND2 ASN A 11 3.939 8.990 -1.432 1.00 0.58 N ATOM 0 H ASN A 11 2.196 4.496 -2.587 1.00 0.24 H new ATOM 0 HA ASN A 11 1.246 6.932 -1.045 1.00 0.25 H new ATOM 0 HB2 ASN A 11 3.565 6.180 -2.799 1.00 0.31 H new ATOM 0 HB3 ASN A 11 2.784 7.673 -3.281 1.00 0.31 H new ATOM 0 HD21 ASN A 11 4.405 9.488 -0.673 1.00 0.58 H new ATOM 0 HD22 ASN A 11 3.710 9.479 -2.297 1.00 0.58 H new ATOM 144 N ALA A 12 0.155 7.930 -3.268 1.00 0.30 N ATOM 145 CA ALA A 12 -0.907 8.237 -4.282 1.00 0.36 C ATOM 146 C ALA A 12 -0.341 8.227 -5.717 1.00 0.37 C ATOM 147 O ALA A 12 -1.082 8.294 -6.680 1.00 0.69 O ATOM 148 CB ALA A 12 -1.404 9.636 -3.913 1.00 0.49 C ATOM 0 H ALA A 12 0.564 8.746 -2.812 1.00 0.30 H new ATOM 0 HA ALA A 12 -1.702 7.491 -4.268 1.00 0.36 H new ATOM 0 HB1 ALA A 12 -2.187 9.939 -4.608 1.00 0.49 H new ATOM 0 HB2 ALA A 12 -1.804 9.624 -2.899 1.00 0.49 H new ATOM 0 HB3 ALA A 12 -0.576 10.343 -3.968 1.00 0.49 H new ATOM 154 N SER A 13 0.958 8.145 -5.871 1.00 0.44 N ATOM 155 CA SER A 13 1.550 8.130 -7.246 1.00 0.49 C ATOM 156 C SER A 13 2.364 6.847 -7.470 1.00 0.42 C ATOM 157 O SER A 13 2.342 5.935 -6.664 1.00 0.52 O ATOM 158 CB SER A 13 2.457 9.359 -7.302 1.00 0.62 C ATOM 159 OG SER A 13 3.051 9.437 -8.594 1.00 0.83 O ATOM 0 H SER A 13 1.632 8.088 -5.108 1.00 0.44 H new ATOM 0 HA SER A 13 0.784 8.152 -8.021 1.00 0.49 H new ATOM 0 HB2 SER A 13 1.881 10.262 -7.097 1.00 0.62 H new ATOM 0 HB3 SER A 13 3.229 9.292 -6.536 1.00 0.62 H new ATOM 0 HG SER A 13 3.633 10.224 -8.639 1.00 0.83 H new ATOM 165 N ALA A 14 3.086 6.775 -8.558 1.00 0.53 N ATOM 166 CA ALA A 14 3.906 5.557 -8.841 1.00 0.50 C ATOM 167 C ALA A 14 5.365 5.781 -8.418 1.00 0.44 C ATOM 168 O ALA A 14 5.897 6.870 -8.537 1.00 0.62 O ATOM 169 CB ALA A 14 3.809 5.356 -10.355 1.00 0.64 C ATOM 0 H ALA A 14 3.144 7.508 -9.265 1.00 0.53 H new ATOM 0 HA ALA A 14 3.551 4.686 -8.290 1.00 0.50 H new ATOM 0 HB1 ALA A 14 4.387 4.478 -10.643 1.00 0.64 H new ATOM 0 HB2 ALA A 14 2.766 5.213 -10.637 1.00 0.64 H new ATOM 0 HB3 ALA A 14 4.205 6.234 -10.865 1.00 0.64 H new ATOM 175 N GLY A 15 6.014 4.759 -7.928 1.00 0.51 N ATOM 176 CA GLY A 15 7.440 4.909 -7.500 1.00 0.56 C ATOM 177 C GLY A 15 7.846 3.717 -6.626 1.00 0.45 C ATOM 178 O GLY A 15 7.272 2.650 -6.733 1.00 0.45 O ATOM 0 H GLY A 15 5.621 3.826 -7.805 1.00 0.51 H new ATOM 0 HA2 GLY A 15 8.088 4.968 -8.375 1.00 0.56 H new ATOM 0 HA3 GLY A 15 7.567 5.839 -6.946 1.00 0.56 H new ATOM 182 N PRO A 16 8.828 3.937 -5.782 1.00 0.42 N ATOM 183 CA PRO A 16 9.316 2.862 -4.883 1.00 0.40 C ATOM 184 C PRO A 16 8.260 2.381 -3.851 1.00 0.37 C ATOM 185 O PRO A 16 8.267 1.216 -3.503 1.00 0.40 O ATOM 186 CB PRO A 16 10.543 3.477 -4.209 1.00 0.46 C ATOM 187 CG PRO A 16 10.342 4.952 -4.311 1.00 0.48 C ATOM 188 CD PRO A 16 9.575 5.186 -5.586 1.00 0.48 C ATOM 0 HA PRO A 16 9.546 1.953 -5.439 1.00 0.40 H new ATOM 0 HB2 PRO A 16 10.622 3.161 -3.169 1.00 0.46 H new ATOM 0 HB3 PRO A 16 11.463 3.169 -4.707 1.00 0.46 H new ATOM 0 HG2 PRO A 16 9.790 5.330 -3.450 1.00 0.48 H new ATOM 0 HG3 PRO A 16 11.298 5.474 -4.331 1.00 0.48 H new ATOM 0 HD2 PRO A 16 8.906 6.042 -5.499 1.00 0.48 H new ATOM 0 HD3 PRO A 16 10.243 5.388 -6.423 1.00 0.48 H new ATOM 196 N PRO A 17 7.386 3.255 -3.376 1.00 0.40 N ATOM 197 CA PRO A 17 6.370 2.818 -2.381 1.00 0.43 C ATOM 198 C PRO A 17 5.210 2.068 -3.066 1.00 0.40 C ATOM 199 O PRO A 17 4.079 2.526 -3.072 1.00 0.51 O ATOM 200 CB PRO A 17 5.886 4.127 -1.763 1.00 0.57 C ATOM 201 CG PRO A 17 6.138 5.174 -2.802 1.00 0.59 C ATOM 202 CD PRO A 17 7.252 4.685 -3.692 1.00 0.48 C ATOM 0 HA PRO A 17 6.773 2.125 -1.643 1.00 0.43 H new ATOM 0 HB2 PRO A 17 4.828 4.073 -1.508 1.00 0.57 H new ATOM 0 HB3 PRO A 17 6.425 4.350 -0.842 1.00 0.57 H new ATOM 0 HG2 PRO A 17 5.236 5.357 -3.386 1.00 0.59 H new ATOM 0 HG3 PRO A 17 6.411 6.119 -2.333 1.00 0.59 H new ATOM 0 HD2 PRO A 17 7.013 4.837 -4.745 1.00 0.48 H new ATOM 0 HD3 PRO A 17 8.180 5.222 -3.495 1.00 0.48 H new ATOM 210 N TYR A 18 5.476 0.912 -3.631 1.00 0.36 N ATOM 211 CA TYR A 18 4.377 0.135 -4.299 1.00 0.35 C ATOM 212 C TYR A 18 4.021 -1.124 -3.486 1.00 0.31 C ATOM 213 O TYR A 18 4.775 -1.565 -2.636 1.00 0.33 O ATOM 214 CB TYR A 18 4.900 -0.220 -5.703 1.00 0.34 C ATOM 215 CG TYR A 18 6.170 -1.035 -5.625 1.00 0.29 C ATOM 216 CD1 TYR A 18 6.106 -2.418 -5.436 1.00 0.34 C ATOM 217 CD2 TYR A 18 7.411 -0.403 -5.760 1.00 0.33 C ATOM 218 CE1 TYR A 18 7.285 -3.172 -5.378 1.00 0.37 C ATOM 219 CE2 TYR A 18 8.590 -1.156 -5.705 1.00 0.35 C ATOM 220 CZ TYR A 18 8.529 -2.540 -5.513 1.00 0.34 C ATOM 221 OH TYR A 18 9.692 -3.284 -5.456 1.00 0.43 O ATOM 0 H TYR A 18 6.397 0.475 -3.659 1.00 0.36 H new ATOM 0 HA TYR A 18 3.457 0.716 -4.365 1.00 0.35 H new ATOM 0 HB2 TYR A 18 4.139 -0.780 -6.246 1.00 0.34 H new ATOM 0 HB3 TYR A 18 5.086 0.694 -6.266 1.00 0.34 H new ATOM 0 HD1 TYR A 18 5.148 -2.905 -5.335 1.00 0.34 H new ATOM 0 HD2 TYR A 18 7.459 0.666 -5.907 1.00 0.33 H new ATOM 0 HE1 TYR A 18 7.236 -4.241 -5.229 1.00 0.37 H new ATOM 0 HE2 TYR A 18 9.547 -0.668 -5.811 1.00 0.35 H new ATOM 0 HH TYR A 18 9.499 -4.164 -5.070 1.00 0.43 H new ATOM 231 N CYS A 19 2.865 -1.695 -3.731 1.00 0.28 N ATOM 232 CA CYS A 19 2.439 -2.915 -2.968 1.00 0.26 C ATOM 233 C CYS A 19 2.935 -4.196 -3.662 1.00 0.23 C ATOM 234 O CYS A 19 3.498 -4.147 -4.736 1.00 0.27 O ATOM 235 CB CYS A 19 0.909 -2.854 -2.954 1.00 0.27 C ATOM 236 SG CYS A 19 0.371 -1.213 -2.398 1.00 0.28 S ATOM 0 H CYS A 19 2.196 -1.369 -4.428 1.00 0.28 H new ATOM 0 HA CYS A 19 2.856 -2.937 -1.961 1.00 0.26 H new ATOM 0 HB2 CYS A 19 0.518 -3.058 -3.951 1.00 0.27 H new ATOM 0 HB3 CYS A 19 0.510 -3.622 -2.292 1.00 0.27 H new ATOM 241 N CYS A 20 2.756 -5.344 -3.050 1.00 0.23 N ATOM 242 CA CYS A 20 3.256 -6.613 -3.683 1.00 0.24 C ATOM 243 C CYS A 20 2.226 -7.269 -4.604 1.00 0.23 C ATOM 244 O CYS A 20 2.546 -7.653 -5.710 1.00 0.28 O ATOM 245 CB CYS A 20 3.570 -7.556 -2.526 1.00 0.31 C ATOM 246 SG CYS A 20 4.592 -8.922 -3.136 1.00 0.41 S ATOM 0 H CYS A 20 2.291 -5.460 -2.150 1.00 0.23 H new ATOM 0 HA CYS A 20 4.122 -6.393 -4.308 1.00 0.24 H new ATOM 0 HB2 CYS A 20 4.093 -7.019 -1.735 1.00 0.31 H new ATOM 0 HB3 CYS A 20 2.647 -7.941 -2.093 1.00 0.31 H new ATOM 251 N SER A 21 1.010 -7.431 -4.160 1.00 0.22 N ATOM 252 CA SER A 21 -0.006 -8.105 -5.033 1.00 0.24 C ATOM 253 C SER A 21 -0.889 -7.072 -5.730 1.00 0.24 C ATOM 254 O SER A 21 -0.764 -6.837 -6.917 1.00 0.30 O ATOM 255 CB SER A 21 -0.834 -8.987 -4.094 1.00 0.28 C ATOM 256 OG SER A 21 -0.003 -10.007 -3.552 1.00 0.38 O ATOM 0 H SER A 21 0.674 -7.132 -3.244 1.00 0.22 H new ATOM 0 HA SER A 21 0.465 -8.692 -5.822 1.00 0.24 H new ATOM 0 HB2 SER A 21 -1.260 -8.384 -3.292 1.00 0.28 H new ATOM 0 HB3 SER A 21 -1.669 -9.432 -4.636 1.00 0.28 H new ATOM 0 HG SER A 21 0.512 -9.645 -2.801 1.00 0.38 H new ATOM 262 N SER A 22 -1.781 -6.456 -5.003 1.00 0.21 N ATOM 263 CA SER A 22 -2.679 -5.433 -5.620 1.00 0.24 C ATOM 264 C SER A 22 -3.553 -4.734 -4.566 1.00 0.21 C ATOM 265 O SER A 22 -4.602 -4.207 -4.883 1.00 0.26 O ATOM 266 CB SER A 22 -3.559 -6.206 -6.607 1.00 0.31 C ATOM 267 OG SER A 22 -2.947 -6.198 -7.891 1.00 0.39 O ATOM 0 H SER A 22 -1.928 -6.616 -4.006 1.00 0.21 H new ATOM 0 HA SER A 22 -2.099 -4.648 -6.105 1.00 0.24 H new ATOM 0 HB2 SER A 22 -3.696 -7.231 -6.263 1.00 0.31 H new ATOM 0 HB3 SER A 22 -4.549 -5.753 -6.661 1.00 0.31 H new ATOM 0 HG SER A 22 -2.097 -6.684 -7.851 1.00 0.39 H new ATOM 273 N TYR A 23 -3.141 -4.710 -3.319 1.00 0.18 N ATOM 274 CA TYR A 23 -3.977 -4.025 -2.292 1.00 0.18 C ATOM 275 C TYR A 23 -3.210 -2.875 -1.650 1.00 0.17 C ATOM 276 O TYR A 23 -2.038 -2.979 -1.335 1.00 0.19 O ATOM 277 CB TYR A 23 -4.295 -5.069 -1.239 1.00 0.19 C ATOM 278 CG TYR A 23 -5.498 -4.626 -0.438 1.00 0.21 C ATOM 279 CD1 TYR A 23 -5.345 -3.667 0.571 1.00 0.25 C ATOM 280 CD2 TYR A 23 -6.760 -5.166 -0.704 1.00 0.35 C ATOM 281 CE1 TYR A 23 -6.454 -3.247 1.314 1.00 0.29 C ATOM 282 CE2 TYR A 23 -7.870 -4.747 0.041 1.00 0.39 C ATOM 283 CZ TYR A 23 -7.716 -3.788 1.048 1.00 0.31 C ATOM 284 OH TYR A 23 -8.811 -3.370 1.777 1.00 0.39 O ATOM 0 H TYR A 23 -2.276 -5.129 -2.976 1.00 0.18 H new ATOM 0 HA TYR A 23 -4.879 -3.610 -2.742 1.00 0.18 H new ATOM 0 HB2 TYR A 23 -4.494 -6.030 -1.713 1.00 0.19 H new ATOM 0 HB3 TYR A 23 -3.438 -5.210 -0.580 1.00 0.19 H new ATOM 0 HD1 TYR A 23 -4.370 -3.251 0.776 1.00 0.25 H new ATOM 0 HD2 TYR A 23 -6.879 -5.905 -1.483 1.00 0.35 H new ATOM 0 HE1 TYR A 23 -6.336 -2.507 2.091 1.00 0.29 H new ATOM 0 HE2 TYR A 23 -8.845 -5.165 -0.162 1.00 0.39 H new ATOM 0 HH TYR A 23 -9.611 -3.843 1.466 1.00 0.39 H new ATOM 294 N CYS A 24 -3.892 -1.795 -1.434 1.00 0.16 N ATOM 295 CA CYS A 24 -3.278 -0.598 -0.783 1.00 0.18 C ATOM 296 C CYS A 24 -4.369 0.205 -0.067 1.00 0.19 C ATOM 297 O CYS A 24 -5.190 0.838 -0.701 1.00 0.23 O ATOM 298 CB CYS A 24 -2.655 0.223 -1.918 1.00 0.21 C ATOM 299 SG CYS A 24 -2.262 1.896 -1.331 1.00 0.25 S ATOM 0 H CYS A 24 -4.874 -1.681 -1.685 1.00 0.16 H new ATOM 0 HA CYS A 24 -2.527 -0.869 -0.041 1.00 0.18 H new ATOM 0 HB2 CYS A 24 -1.750 -0.267 -2.278 1.00 0.21 H new ATOM 0 HB3 CYS A 24 -3.345 0.277 -2.760 1.00 0.21 H new ATOM 304 N PHE A 25 -4.390 0.194 1.237 1.00 0.20 N ATOM 305 CA PHE A 25 -5.432 0.968 1.967 1.00 0.22 C ATOM 306 C PHE A 25 -4.926 2.390 2.221 1.00 0.21 C ATOM 307 O PHE A 25 -4.455 2.720 3.294 1.00 0.29 O ATOM 308 CB PHE A 25 -5.654 0.215 3.277 1.00 0.26 C ATOM 309 CG PHE A 25 -7.082 0.421 3.728 1.00 0.31 C ATOM 310 CD1 PHE A 25 -8.089 -0.449 3.293 1.00 0.48 C ATOM 311 CD2 PHE A 25 -7.401 1.496 4.566 1.00 0.49 C ATOM 312 CE1 PHE A 25 -9.412 -0.248 3.700 1.00 0.54 C ATOM 313 CE2 PHE A 25 -8.725 1.698 4.972 1.00 0.56 C ATOM 314 CZ PHE A 25 -9.731 0.827 4.539 1.00 0.47 C ATOM 0 H PHE A 25 -3.733 -0.316 1.827 1.00 0.20 H new ATOM 0 HA PHE A 25 -6.362 1.056 1.406 1.00 0.22 H new ATOM 0 HB2 PHE A 25 -5.452 -0.847 3.139 1.00 0.26 H new ATOM 0 HB3 PHE A 25 -4.963 0.574 4.039 1.00 0.26 H new ATOM 0 HD1 PHE A 25 -7.844 -1.276 2.643 1.00 0.48 H new ATOM 0 HD2 PHE A 25 -6.625 2.170 4.899 1.00 0.49 H new ATOM 0 HE1 PHE A 25 -10.188 -0.922 3.367 1.00 0.54 H new ATOM 0 HE2 PHE A 25 -8.970 2.527 5.620 1.00 0.56 H new ATOM 0 HZ PHE A 25 -10.753 0.984 4.852 1.00 0.47 H new ATOM 324 N GLN A 26 -5.006 3.222 1.222 1.00 0.21 N ATOM 325 CA GLN A 26 -4.524 4.627 1.358 1.00 0.21 C ATOM 326 C GLN A 26 -5.710 5.603 1.371 1.00 0.21 C ATOM 327 O GLN A 26 -6.765 5.321 0.836 1.00 0.26 O ATOM 328 CB GLN A 26 -3.634 4.829 0.133 1.00 0.23 C ATOM 329 CG GLN A 26 -3.464 6.322 -0.140 1.00 0.25 C ATOM 330 CD GLN A 26 -2.490 6.541 -1.299 1.00 0.29 C ATOM 331 OE1 GLN A 26 -1.685 7.443 -1.259 1.00 0.50 O ATOM 332 NE2 GLN A 26 -2.534 5.758 -2.343 1.00 0.38 N ATOM 0 H GLN A 26 -5.389 2.987 0.306 1.00 0.21 H new ATOM 0 HA GLN A 26 -3.985 4.810 2.288 1.00 0.21 H new ATOM 0 HB2 GLN A 26 -2.661 4.367 0.299 1.00 0.23 H new ATOM 0 HB3 GLN A 26 -4.076 4.339 -0.734 1.00 0.23 H new ATOM 0 HG2 GLN A 26 -4.430 6.768 -0.378 1.00 0.25 H new ATOM 0 HG3 GLN A 26 -3.094 6.823 0.755 1.00 0.25 H new ATOM 0 HE21 GLN A 26 -3.211 4.996 -2.381 1.00 0.38 H new ATOM 0 HE22 GLN A 26 -1.891 5.908 -3.121 1.00 0.38 H new ATOM 341 N ILE A 27 -5.539 6.750 1.979 1.00 0.22 N ATOM 342 CA ILE A 27 -6.657 7.751 2.032 1.00 0.26 C ATOM 343 C ILE A 27 -6.237 9.067 1.357 1.00 0.30 C ATOM 344 O ILE A 27 -5.077 9.275 1.045 1.00 0.34 O ATOM 345 CB ILE A 27 -6.984 7.996 3.518 1.00 0.33 C ATOM 346 CG1 ILE A 27 -6.007 7.251 4.443 1.00 0.41 C ATOM 347 CG2 ILE A 27 -8.409 7.510 3.801 1.00 0.47 C ATOM 348 CD1 ILE A 27 -6.418 7.462 5.903 1.00 0.53 C ATOM 0 H ILE A 27 -4.677 7.039 2.441 1.00 0.22 H new ATOM 0 HA ILE A 27 -7.531 7.373 1.501 1.00 0.26 H new ATOM 0 HB ILE A 27 -6.892 9.064 3.716 1.00 0.33 H new ATOM 0 HG12 ILE A 27 -6.005 6.187 4.205 1.00 0.41 H new ATOM 0 HG13 ILE A 27 -4.992 7.615 4.284 1.00 0.41 H new ATOM 0 HG21 ILE A 27 -8.649 7.679 4.851 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -9.112 8.059 3.175 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -8.481 6.445 3.580 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -5.724 6.933 6.556 1.00 0.53 H new ATOM 0 HD12 ILE A 27 -6.397 8.526 6.137 1.00 0.53 H new ATOM 0 HD13 ILE A 27 -7.426 7.077 6.057 1.00 0.53 H new ATOM 360 N ALA A 28 -7.171 9.955 1.128 1.00 0.36 N ATOM 361 CA ALA A 28 -6.832 11.256 0.471 1.00 0.47 C ATOM 362 C ALA A 28 -6.416 12.302 1.517 1.00 0.52 C ATOM 363 O ALA A 28 -7.116 12.542 2.480 1.00 0.71 O ATOM 364 CB ALA A 28 -8.120 11.682 -0.238 1.00 0.61 C ATOM 0 H ALA A 28 -8.155 9.836 1.368 1.00 0.36 H new ATOM 0 HA ALA A 28 -5.994 11.162 -0.219 1.00 0.47 H new ATOM 0 HB1 ALA A 28 -7.958 12.632 -0.748 1.00 0.61 H new ATOM 0 HB2 ALA A 28 -8.402 10.922 -0.967 1.00 0.61 H new ATOM 0 HB3 ALA A 28 -8.918 11.796 0.495 1.00 0.61 H new ATOM 370 N GLY A 29 -5.279 12.929 1.328 1.00 0.56 N ATOM 371 CA GLY A 29 -4.819 13.965 2.308 1.00 0.64 C ATOM 372 C GLY A 29 -3.289 14.027 2.333 1.00 0.53 C ATOM 373 O GLY A 29 -2.703 15.079 2.179 1.00 0.64 O ATOM 0 H GLY A 29 -4.651 12.769 0.540 1.00 0.56 H new ATOM 0 HA2 GLY A 29 -5.225 14.939 2.036 1.00 0.64 H new ATOM 0 HA3 GLY A 29 -5.197 13.728 3.303 1.00 0.64 H new ATOM 377 N GLN A 30 -2.640 12.910 2.538 1.00 0.45 N ATOM 378 CA GLN A 30 -1.142 12.905 2.587 1.00 0.47 C ATOM 379 C GLN A 30 -0.537 11.853 1.633 1.00 0.40 C ATOM 380 O GLN A 30 0.657 11.616 1.653 1.00 0.45 O ATOM 381 CB GLN A 30 -0.819 12.560 4.038 1.00 0.62 C ATOM 382 CG GLN A 30 -0.057 13.722 4.685 1.00 1.03 C ATOM 383 CD GLN A 30 -0.782 14.178 5.954 1.00 1.68 C ATOM 384 OE1 GLN A 30 -0.691 13.540 6.981 1.00 2.27 O ATOM 385 NE2 GLN A 30 -1.502 15.261 5.930 1.00 2.09 N ATOM 0 H GLN A 30 -3.080 12.000 2.674 1.00 0.45 H new ATOM 0 HA GLN A 30 -0.724 13.860 2.270 1.00 0.47 H new ATOM 0 HB2 GLN A 30 -1.739 12.363 4.589 1.00 0.62 H new ATOM 0 HB3 GLN A 30 -0.220 11.650 4.082 1.00 0.62 H new ATOM 0 HG2 GLN A 30 0.959 13.412 4.928 1.00 1.03 H new ATOM 0 HG3 GLN A 30 0.023 14.552 3.983 1.00 1.03 H new ATOM 0 HE21 GLN A 30 -1.582 15.801 5.069 1.00 2.09 H new ATOM 0 HE22 GLN A 30 -1.987 15.570 6.773 1.00 2.09 H new ATOM 394 N SER A 31 -1.346 11.218 0.810 1.00 0.35 N ATOM 395 CA SER A 31 -0.824 10.177 -0.141 1.00 0.35 C ATOM 396 C SER A 31 -0.151 9.042 0.641 1.00 0.31 C ATOM 397 O SER A 31 0.983 8.667 0.381 1.00 0.37 O ATOM 398 CB SER A 31 0.180 10.901 -1.053 1.00 0.45 C ATOM 399 OG SER A 31 0.970 9.940 -1.748 1.00 0.49 O ATOM 0 H SER A 31 -2.352 11.378 0.757 1.00 0.35 H new ATOM 0 HA SER A 31 -1.622 9.724 -0.729 1.00 0.35 H new ATOM 0 HB2 SER A 31 -0.350 11.535 -1.764 1.00 0.45 H new ATOM 0 HB3 SER A 31 0.821 11.554 -0.460 1.00 0.45 H new ATOM 0 HG SER A 31 1.453 9.384 -1.101 1.00 0.49 H new ATOM 405 N TYR A 32 -0.848 8.496 1.600 1.00 0.26 N ATOM 406 CA TYR A 32 -0.268 7.385 2.411 1.00 0.26 C ATOM 407 C TYR A 32 -1.318 6.292 2.672 1.00 0.23 C ATOM 408 O TYR A 32 -2.479 6.567 2.928 1.00 0.29 O ATOM 409 CB TYR A 32 0.207 8.045 3.715 1.00 0.31 C ATOM 410 CG TYR A 32 -0.965 8.370 4.608 1.00 0.37 C ATOM 411 CD1 TYR A 32 -1.723 9.524 4.380 1.00 0.48 C ATOM 412 CD2 TYR A 32 -1.281 7.522 5.673 1.00 0.61 C ATOM 413 CE1 TYR A 32 -2.798 9.829 5.224 1.00 0.67 C ATOM 414 CE2 TYR A 32 -2.358 7.825 6.512 1.00 0.79 C ATOM 415 CZ TYR A 32 -3.114 8.979 6.288 1.00 0.79 C ATOM 416 OH TYR A 32 -4.169 9.283 7.122 1.00 1.03 O ATOM 0 H TYR A 32 -1.796 8.771 1.858 1.00 0.26 H new ATOM 0 HA TYR A 32 0.554 6.885 1.899 1.00 0.26 H new ATOM 0 HB2 TYR A 32 0.894 7.378 4.236 1.00 0.31 H new ATOM 0 HB3 TYR A 32 0.760 8.956 3.486 1.00 0.31 H new ATOM 0 HD1 TYR A 32 -1.480 10.178 3.555 1.00 0.48 H new ATOM 0 HD2 TYR A 32 -0.694 6.633 5.848 1.00 0.61 H new ATOM 0 HE1 TYR A 32 -3.383 10.721 5.053 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -2.605 7.168 7.332 1.00 0.79 H new ATOM 0 HH TYR A 32 -4.254 8.589 7.809 1.00 1.03 H new ATOM 426 N GLY A 33 -0.911 5.051 2.599 1.00 0.23 N ATOM 427 CA GLY A 33 -1.861 3.921 2.833 1.00 0.26 C ATOM 428 C GLY A 33 -1.078 2.644 3.118 1.00 0.24 C ATOM 429 O GLY A 33 0.139 2.641 3.091 1.00 0.28 O ATOM 0 H GLY A 33 0.046 4.769 2.386 1.00 0.23 H new ATOM 0 HA2 GLY A 33 -2.517 4.152 3.672 1.00 0.26 H new ATOM 0 HA3 GLY A 33 -2.498 3.782 1.960 1.00 0.26 H new ATOM 433 N VAL A 34 -1.755 1.556 3.378 1.00 0.23 N ATOM 434 CA VAL A 34 -1.010 0.281 3.660 1.00 0.24 C ATOM 435 C VAL A 34 -1.276 -0.758 2.567 1.00 0.22 C ATOM 436 O VAL A 34 -2.395 -0.947 2.132 1.00 0.22 O ATOM 437 CB VAL A 34 -1.502 -0.222 5.032 1.00 0.30 C ATOM 438 CG1 VAL A 34 -1.334 0.878 6.084 1.00 0.44 C ATOM 439 CG2 VAL A 34 -2.977 -0.631 4.955 1.00 0.44 C ATOM 0 H VAL A 34 -2.772 1.489 3.409 1.00 0.23 H new ATOM 0 HA VAL A 34 0.066 0.452 3.673 1.00 0.24 H new ATOM 0 HB VAL A 34 -0.906 -1.090 5.314 1.00 0.30 H new ATOM 0 HG11 VAL A 34 -1.684 0.514 7.050 1.00 0.44 H new ATOM 0 HG12 VAL A 34 -0.282 1.152 6.159 1.00 0.44 H new ATOM 0 HG13 VAL A 34 -1.917 1.752 5.793 1.00 0.44 H new ATOM 0 HG21 VAL A 34 -3.308 -0.984 5.932 1.00 0.44 H new ATOM 0 HG22 VAL A 34 -3.578 0.228 4.656 1.00 0.44 H new ATOM 0 HG23 VAL A 34 -3.096 -1.429 4.222 1.00 0.44 H new ATOM 449 N CYS A 35 -0.254 -1.434 2.112 1.00 0.23 N ATOM 450 CA CYS A 35 -0.457 -2.455 1.043 1.00 0.21 C ATOM 451 C CYS A 35 -0.783 -3.821 1.639 1.00 0.19 C ATOM 452 O CYS A 35 -0.487 -4.121 2.784 1.00 0.23 O ATOM 453 CB CYS A 35 0.853 -2.549 0.273 1.00 0.25 C ATOM 454 SG CYS A 35 1.203 -0.988 -0.568 1.00 0.28 S ATOM 0 H CYS A 35 0.708 -1.324 2.433 1.00 0.23 H new ATOM 0 HA CYS A 35 -1.290 -2.165 0.403 1.00 0.21 H new ATOM 0 HB2 CYS A 35 1.667 -2.792 0.956 1.00 0.25 H new ATOM 0 HB3 CYS A 35 0.797 -3.357 -0.456 1.00 0.25 H new ATOM 459 N LYS A 36 -1.384 -4.641 0.841 1.00 0.17 N ATOM 460 CA LYS A 36 -1.764 -6.016 1.276 1.00 0.16 C ATOM 461 C LYS A 36 -1.785 -6.963 0.071 1.00 0.15 C ATOM 462 O LYS A 36 -1.794 -6.532 -1.071 1.00 0.18 O ATOM 463 CB LYS A 36 -3.164 -5.853 1.852 1.00 0.20 C ATOM 464 CG LYS A 36 -3.130 -6.031 3.378 1.00 0.26 C ATOM 465 CD LYS A 36 -3.194 -7.522 3.747 1.00 0.30 C ATOM 466 CE LYS A 36 -4.146 -8.252 2.799 1.00 0.28 C ATOM 467 NZ LYS A 36 -4.257 -9.639 3.337 1.00 0.41 N ATOM 0 H LYS A 36 -1.638 -4.417 -0.121 1.00 0.17 H new ATOM 0 HA LYS A 36 -1.065 -6.440 1.997 1.00 0.16 H new ATOM 0 HB2 LYS A 36 -3.556 -4.867 1.601 1.00 0.20 H new ATOM 0 HB3 LYS A 36 -3.837 -6.586 1.407 1.00 0.20 H new ATOM 0 HG2 LYS A 36 -2.219 -5.589 3.781 1.00 0.26 H new ATOM 0 HG3 LYS A 36 -3.969 -5.502 3.831 1.00 0.26 H new ATOM 0 HD2 LYS A 36 -2.199 -7.963 3.688 1.00 0.30 H new ATOM 0 HD3 LYS A 36 -3.533 -7.637 4.777 1.00 0.30 H new ATOM 0 HE2 LYS A 36 -5.120 -7.764 2.768 1.00 0.28 H new ATOM 0 HE3 LYS A 36 -3.759 -8.256 1.780 1.00 0.28 H new ATOM 0 HZ1 LYS A 36 -4.948 -10.175 2.774 1.00 0.41 H new ATOM 0 HZ2 LYS A 36 -3.330 -10.107 3.285 1.00 0.41 H new ATOM 0 HZ3 LYS A 36 -4.571 -9.603 4.328 1.00 0.41 H new ATOM 481 N ASN A 37 -1.826 -8.243 0.312 1.00 0.16 N ATOM 482 CA ASN A 37 -1.892 -9.209 -0.823 1.00 0.17 C ATOM 483 C ASN A 37 -3.353 -9.336 -1.255 1.00 0.21 C ATOM 484 O ASN A 37 -3.718 -8.996 -2.363 1.00 0.27 O ATOM 485 CB ASN A 37 -1.355 -10.536 -0.271 1.00 0.20 C ATOM 486 CG ASN A 37 0.157 -10.623 -0.502 1.00 0.24 C ATOM 487 OD1 ASN A 37 0.733 -9.803 -1.195 1.00 0.51 O ATOM 488 ND2 ASN A 37 0.832 -11.594 0.040 1.00 0.50 N ATOM 0 H ASN A 37 -1.817 -8.663 1.242 1.00 0.16 H new ATOM 0 HA ASN A 37 -1.311 -8.898 -1.691 1.00 0.17 H new ATOM 0 HB2 ASN A 37 -1.574 -10.612 0.794 1.00 0.20 H new ATOM 0 HB3 ASN A 37 -1.855 -11.372 -0.760 1.00 0.20 H new ATOM 0 HD21 ASN A 37 1.837 -11.666 -0.116 1.00 0.50 H new ATOM 0 HD22 ASN A 37 0.356 -12.284 0.621 1.00 0.50 H new ATOM 495 N ARG A 38 -4.186 -9.787 -0.355 1.00 0.24 N ATOM 496 CA ARG A 38 -5.638 -9.918 -0.638 1.00 0.31 C ATOM 497 C ARG A 38 -6.402 -10.211 0.662 1.00 0.42 C ATOM 498 CB ARG A 38 -5.772 -11.082 -1.622 1.00 0.39 C ATOM 499 CG ARG A 38 -6.303 -10.562 -2.966 1.00 0.47 C ATOM 500 CD ARG A 38 -7.694 -9.944 -2.776 1.00 0.46 C ATOM 501 NE ARG A 38 -8.594 -11.096 -2.469 1.00 0.56 N ATOM 502 CZ ARG A 38 -9.704 -10.904 -1.824 1.00 0.62 C ATOM 503 NH1 ARG A 38 -9.677 -10.505 -0.593 1.00 0.66 N ATOM 504 NH2 ARG A 38 -10.838 -11.110 -2.418 1.00 0.78 N ATOM 0 H ARG A 38 -3.911 -10.075 0.584 1.00 0.24 H new ATOM 0 HA ARG A 38 -6.055 -9.002 -1.056 1.00 0.31 H new ATOM 0 HB2 ARG A 38 -4.805 -11.565 -1.764 1.00 0.39 H new ATOM 0 HB3 ARG A 38 -6.449 -11.836 -1.219 1.00 0.39 H new ATOM 0 HG2 ARG A 38 -5.618 -9.819 -3.374 1.00 0.47 H new ATOM 0 HG3 ARG A 38 -6.354 -11.378 -3.687 1.00 0.47 H new ATOM 0 HD2 ARG A 38 -7.694 -9.216 -1.964 1.00 0.46 H new ATOM 0 HD3 ARG A 38 -8.018 -9.419 -3.675 1.00 0.46 H new ATOM 0 HE ARG A 38 -8.335 -12.037 -2.767 1.00 0.56 H new ATOM 0 HH11 ARG A 38 -8.783 -10.341 -0.129 1.00 0.66 H new ATOM 0 HH12 ARG A 38 -10.549 -10.354 -0.087 1.00 0.66 H new ATOM 0 HH21 ARG A 38 -10.856 -11.422 -3.389 1.00 0.78 H new ATOM 0 HH22 ARG A 38 -11.712 -10.960 -1.914 1.00 0.78 H new