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 36 LYS NZ :NH3+ -142:sc= 0.696 (180deg=0) USER MOD Set 1.2: A 37 ASN : amide:sc= 0.639 K(o=1.3,f=-20!) USER MOD Set 2.1: A 1 ALA N :NH3+ -154:sc= 0.615 (180deg=0) USER MOD Set 2.2: A 18 TYR OH : rot -63:sc= 2.05 USER MOD Set 3.1: A 11 ASN : amide:sc= 0.0163 K(o=1.6,f=-9.5!) USER MOD Set 3.2: A 31 SER OG : rot -60:sc= 1.61 USER MOD Set 4.1: A 5 LYS NZ :NH3+ -159:sc= 0.467! (180deg=0) USER MOD Set 4.2: A 6 ASN : amide:sc= -0.26 K(o=0.21,f=-22!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 54:sc= 1.25 USER MOD Single : A 23 TYR OH : rot -25:sc= 0.0977 USER MOD Single : A 26 GLN : amide:sc= -1.86 K(o=-1.9,f=-10!) USER MOD Single : A 30 GLN : amide:sc= -0.293 K(o=-0.29,f=-3.1!) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.378 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.515 -2.408 -4.421 1.00 0.93 N ATOM 2 CA ALA A 1 13.157 -3.715 -4.078 1.00 0.85 C ATOM 3 C ALA A 1 12.532 -4.285 -2.796 1.00 0.59 C ATOM 4 O ALA A 1 12.753 -3.783 -1.712 1.00 0.71 O ATOM 5 CB ALA A 1 14.642 -3.392 -3.869 1.00 1.14 C ATOM 0 H1 ALA A 1 12.590 -2.243 -5.445 1.00 0.93 H new ATOM 0 H2 ALA A 1 11.512 -2.431 -4.147 1.00 0.93 H new ATOM 0 H3 ALA A 1 12.996 -1.640 -3.910 1.00 0.93 H new ATOM 0 HA ALA A 1 13.018 -4.464 -4.857 1.00 0.85 H new ATOM 0 HB1 ALA A 1 15.180 -4.305 -3.613 1.00 1.14 H new ATOM 0 HB2 ALA A 1 15.055 -2.971 -4.786 1.00 1.14 H new ATOM 0 HB3 ALA A 1 14.747 -2.670 -3.059 1.00 1.14 H new ATOM 10 N GLY A 2 11.740 -5.323 -2.918 1.00 0.43 N ATOM 11 CA GLY A 2 11.087 -5.918 -1.708 1.00 0.37 C ATOM 12 C GLY A 2 9.728 -5.247 -1.470 1.00 0.31 C ATOM 13 O GLY A 2 9.449 -4.186 -1.999 1.00 0.36 O ATOM 0 H GLY A 2 11.518 -5.783 -3.801 1.00 0.43 H new ATOM 0 HA2 GLY A 2 10.954 -6.991 -1.845 1.00 0.37 H new ATOM 0 HA3 GLY A 2 11.727 -5.785 -0.835 1.00 0.37 H new ATOM 17 N CYS A 3 8.883 -5.857 -0.677 1.00 0.30 N ATOM 18 CA CYS A 3 7.536 -5.261 -0.396 1.00 0.26 C ATOM 19 C CYS A 3 6.908 -5.901 0.851 1.00 0.24 C ATOM 20 O CYS A 3 7.450 -6.828 1.422 1.00 0.30 O ATOM 21 CB CYS A 3 6.688 -5.561 -1.638 1.00 0.28 C ATOM 22 SG CYS A 3 6.834 -7.314 -2.085 1.00 0.33 S ATOM 0 H CYS A 3 9.067 -6.745 -0.210 1.00 0.30 H new ATOM 0 HA CYS A 3 7.603 -4.191 -0.200 1.00 0.26 H new ATOM 0 HB2 CYS A 3 5.644 -5.313 -1.444 1.00 0.28 H new ATOM 0 HB3 CYS A 3 7.014 -4.937 -2.470 1.00 0.28 H new ATOM 27 N ILE A 4 5.769 -5.413 1.277 1.00 0.21 N ATOM 28 CA ILE A 4 5.108 -5.994 2.491 1.00 0.21 C ATOM 29 C ILE A 4 3.768 -6.640 2.114 1.00 0.21 C ATOM 30 O ILE A 4 2.875 -5.990 1.598 1.00 0.27 O ATOM 31 CB ILE A 4 4.892 -4.809 3.442 1.00 0.24 C ATOM 32 CG1 ILE A 4 6.244 -4.230 3.878 1.00 0.34 C ATOM 33 CG2 ILE A 4 4.123 -5.275 4.683 1.00 0.31 C ATOM 34 CD1 ILE A 4 7.045 -5.284 4.648 1.00 0.47 C ATOM 0 H ILE A 4 5.268 -4.640 0.839 1.00 0.21 H new ATOM 0 HA ILE A 4 5.714 -6.775 2.951 1.00 0.21 H new ATOM 0 HB ILE A 4 4.320 -4.041 2.921 1.00 0.24 H new ATOM 0 HG12 ILE A 4 6.806 -3.902 3.004 1.00 0.34 H new ATOM 0 HG13 ILE A 4 6.087 -3.352 4.505 1.00 0.34 H new ATOM 0 HG21 ILE A 4 3.972 -4.431 5.356 1.00 0.31 H new ATOM 0 HG22 ILE A 4 3.156 -5.677 4.382 1.00 0.31 H new ATOM 0 HG23 ILE A 4 4.694 -6.049 5.195 1.00 0.31 H new ATOM 0 HD11 ILE A 4 8.003 -4.862 4.953 1.00 0.47 H new ATOM 0 HD12 ILE A 4 6.486 -5.591 5.532 1.00 0.47 H new ATOM 0 HD13 ILE A 4 7.217 -6.150 4.008 1.00 0.47 H new ATOM 46 N LYS A 5 3.629 -7.920 2.362 1.00 0.25 N ATOM 47 CA LYS A 5 2.360 -8.635 2.022 1.00 0.27 C ATOM 48 C LYS A 5 1.173 -8.086 2.835 1.00 0.25 C ATOM 49 O LYS A 5 0.041 -8.118 2.389 1.00 0.37 O ATOM 50 CB LYS A 5 2.630 -10.101 2.385 1.00 0.31 C ATOM 51 CG LYS A 5 1.450 -10.975 1.945 1.00 0.32 C ATOM 52 CD LYS A 5 0.832 -11.661 3.170 1.00 0.37 C ATOM 53 CE LYS A 5 1.847 -12.629 3.793 1.00 0.43 C ATOM 54 NZ LYS A 5 1.816 -12.336 5.257 1.00 0.48 N ATOM 0 H LYS A 5 4.347 -8.505 2.789 1.00 0.25 H new ATOM 0 HA LYS A 5 2.092 -8.507 0.973 1.00 0.27 H new ATOM 0 HB2 LYS A 5 3.546 -10.441 1.902 1.00 0.31 H new ATOM 0 HB3 LYS A 5 2.783 -10.196 3.460 1.00 0.31 H new ATOM 0 HG2 LYS A 5 0.701 -10.365 1.441 1.00 0.32 H new ATOM 0 HG3 LYS A 5 1.787 -11.724 1.228 1.00 0.32 H new ATOM 0 HD2 LYS A 5 0.532 -10.913 3.904 1.00 0.37 H new ATOM 0 HD3 LYS A 5 -0.069 -12.202 2.879 1.00 0.37 H new ATOM 0 HE2 LYS A 5 1.577 -13.666 3.593 1.00 0.43 H new ATOM 0 HE3 LYS A 5 2.844 -12.474 3.381 1.00 0.43 H new ATOM 0 HZ1 LYS A 5 2.695 -12.675 5.698 1.00 0.48 H new ATOM 0 HZ2 LYS A 5 1.728 -11.310 5.404 1.00 0.48 H new ATOM 0 HZ3 LYS A 5 1.003 -12.818 5.690 1.00 0.48 H new ATOM 68 N ASN A 6 1.418 -7.592 4.021 1.00 0.24 N ATOM 69 CA ASN A 6 0.299 -7.055 4.855 1.00 0.27 C ATOM 70 C ASN A 6 0.767 -5.869 5.709 1.00 0.27 C ATOM 71 O ASN A 6 1.676 -5.989 6.504 1.00 0.37 O ATOM 72 CB ASN A 6 -0.138 -8.230 5.749 1.00 0.33 C ATOM 73 CG ASN A 6 1.085 -8.995 6.273 1.00 0.36 C ATOM 74 OD1 ASN A 6 1.447 -10.023 5.734 1.00 0.43 O ATOM 75 ND2 ASN A 6 1.743 -8.543 7.298 1.00 0.58 N ATOM 0 H ASN A 6 2.343 -7.537 4.448 1.00 0.24 H new ATOM 0 HA ASN A 6 -0.520 -6.683 4.239 1.00 0.27 H new ATOM 0 HB2 ASN A 6 -0.727 -7.857 6.587 1.00 0.33 H new ATOM 0 HB3 ASN A 6 -0.781 -8.905 5.183 1.00 0.33 H new ATOM 0 HD21 ASN A 6 2.557 -9.050 7.645 1.00 0.58 H new ATOM 0 HD22 ASN A 6 1.445 -7.681 7.755 1.00 0.58 H new ATOM 82 N GLY A 7 0.145 -4.728 5.555 1.00 0.27 N ATOM 83 CA GLY A 7 0.541 -3.533 6.368 1.00 0.32 C ATOM 84 C GLY A 7 1.688 -2.769 5.694 1.00 0.28 C ATOM 85 O GLY A 7 2.439 -2.073 6.347 1.00 0.36 O ATOM 0 H GLY A 7 -0.621 -4.570 4.901 1.00 0.27 H new ATOM 0 HA2 GLY A 7 -0.317 -2.873 6.493 1.00 0.32 H new ATOM 0 HA3 GLY A 7 0.847 -3.851 7.365 1.00 0.32 H new ATOM 89 N GLY A 8 1.828 -2.883 4.394 1.00 0.26 N ATOM 90 CA GLY A 8 2.930 -2.149 3.692 1.00 0.27 C ATOM 91 C GLY A 8 2.595 -0.654 3.618 1.00 0.25 C ATOM 92 O GLY A 8 1.769 -0.157 4.359 1.00 0.36 O ATOM 0 H GLY A 8 1.231 -3.449 3.792 1.00 0.26 H new ATOM 0 HA2 GLY A 8 3.871 -2.294 4.222 1.00 0.27 H new ATOM 0 HA3 GLY A 8 3.065 -2.551 2.688 1.00 0.27 H new ATOM 96 N ARG A 9 3.223 0.068 2.731 1.00 0.26 N ATOM 97 CA ARG A 9 2.929 1.526 2.619 1.00 0.24 C ATOM 98 C ARG A 9 2.842 1.948 1.147 1.00 0.24 C ATOM 99 O ARG A 9 3.763 1.744 0.379 1.00 0.30 O ATOM 100 CB ARG A 9 4.108 2.214 3.308 1.00 0.30 C ATOM 101 CG ARG A 9 3.749 3.671 3.607 1.00 0.37 C ATOM 102 CD ARG A 9 3.441 3.827 5.097 1.00 0.43 C ATOM 103 NE ARG A 9 2.499 4.982 5.172 1.00 0.43 N ATOM 104 CZ ARG A 9 1.507 4.960 6.007 1.00 0.41 C ATOM 105 NH1 ARG A 9 0.490 4.190 5.781 1.00 0.40 N ATOM 106 NH2 ARG A 9 1.542 5.702 7.067 1.00 0.54 N ATOM 0 H ARG A 9 3.925 -0.286 2.081 1.00 0.26 H new ATOM 0 HA ARG A 9 1.974 1.790 3.074 1.00 0.24 H new ATOM 0 HB2 ARG A 9 4.356 1.693 4.233 1.00 0.30 H new ATOM 0 HB3 ARG A 9 4.991 2.170 2.670 1.00 0.30 H new ATOM 0 HG2 ARG A 9 4.574 4.325 3.325 1.00 0.37 H new ATOM 0 HG3 ARG A 9 2.886 3.973 3.013 1.00 0.37 H new ATOM 0 HD2 ARG A 9 2.991 2.922 5.505 1.00 0.43 H new ATOM 0 HD3 ARG A 9 4.348 4.018 5.671 1.00 0.43 H new ATOM 0 HE ARG A 9 2.636 5.790 4.565 1.00 0.43 H new ATOM 0 HH11 ARG A 9 0.470 3.602 4.947 1.00 0.40 H new ATOM 0 HH12 ARG A 9 -0.291 4.171 6.437 1.00 0.40 H new ATOM 0 HH21 ARG A 9 2.348 6.302 7.243 1.00 0.54 H new ATOM 0 HH22 ARG A 9 0.763 5.687 7.726 1.00 0.54 H new ATOM 120 N CYS A 10 1.746 2.538 0.749 1.00 0.21 N ATOM 121 CA CYS A 10 1.610 2.977 -0.679 1.00 0.22 C ATOM 122 C CYS A 10 0.698 4.201 -0.797 1.00 0.21 C ATOM 123 O CYS A 10 0.176 4.702 0.181 1.00 0.26 O ATOM 124 CB CYS A 10 0.993 1.793 -1.423 1.00 0.25 C ATOM 125 SG CYS A 10 -0.507 1.242 -0.565 1.00 0.29 S ATOM 0 H CYS A 10 0.941 2.736 1.344 1.00 0.21 H new ATOM 0 HA CYS A 10 2.578 3.262 -1.092 1.00 0.22 H new ATOM 0 HB2 CYS A 10 0.753 2.080 -2.447 1.00 0.25 H new ATOM 0 HB3 CYS A 10 1.711 0.975 -1.482 1.00 0.25 H new ATOM 130 N ASN A 11 0.505 4.674 -1.999 1.00 0.24 N ATOM 131 CA ASN A 11 -0.374 5.862 -2.218 1.00 0.27 C ATOM 132 C ASN A 11 -0.839 5.931 -3.686 1.00 0.29 C ATOM 133 O ASN A 11 -0.649 5.002 -4.451 1.00 0.40 O ATOM 134 CB ASN A 11 0.496 7.074 -1.845 1.00 0.31 C ATOM 135 CG ASN A 11 1.556 7.340 -2.921 1.00 0.35 C ATOM 136 OD1 ASN A 11 2.033 6.434 -3.568 1.00 0.48 O ATOM 137 ND2 ASN A 11 1.951 8.560 -3.134 1.00 0.59 N ATOM 0 H ASN A 11 0.921 4.286 -2.846 1.00 0.24 H new ATOM 0 HA ASN A 11 -1.283 5.822 -1.618 1.00 0.27 H new ATOM 0 HB2 ASN A 11 -0.134 7.955 -1.724 1.00 0.31 H new ATOM 0 HB3 ASN A 11 0.983 6.896 -0.886 1.00 0.31 H new ATOM 0 HD21 ASN A 11 2.659 8.750 -3.843 1.00 0.59 H new ATOM 0 HD22 ASN A 11 1.553 9.327 -2.592 1.00 0.59 H new ATOM 144 N ALA A 12 -1.447 7.022 -4.078 1.00 0.32 N ATOM 145 CA ALA A 12 -1.931 7.162 -5.490 1.00 0.40 C ATOM 146 C ALA A 12 -0.758 7.450 -6.445 1.00 0.49 C ATOM 147 O ALA A 12 -0.747 8.438 -7.157 1.00 0.64 O ATOM 148 CB ALA A 12 -2.911 8.342 -5.460 1.00 0.55 C ATOM 0 H ALA A 12 -1.631 7.827 -3.479 1.00 0.32 H new ATOM 0 HA ALA A 12 -2.403 6.248 -5.851 1.00 0.40 H new ATOM 0 HB1 ALA A 12 -3.310 8.509 -6.460 1.00 0.55 H new ATOM 0 HB2 ALA A 12 -3.729 8.118 -4.775 1.00 0.55 H new ATOM 0 HB3 ALA A 12 -2.391 9.239 -5.123 1.00 0.55 H new ATOM 154 N SER A 13 0.225 6.591 -6.465 1.00 0.52 N ATOM 155 CA SER A 13 1.399 6.804 -7.373 1.00 0.73 C ATOM 156 C SER A 13 1.990 5.461 -7.817 1.00 0.84 C ATOM 157 O SER A 13 2.218 4.575 -7.013 1.00 1.01 O ATOM 158 CB SER A 13 2.413 7.581 -6.538 1.00 0.76 C ATOM 159 OG SER A 13 3.548 7.879 -7.344 1.00 1.41 O ATOM 0 H SER A 13 0.270 5.748 -5.892 1.00 0.52 H new ATOM 0 HA SER A 13 1.118 7.339 -8.280 1.00 0.73 H new ATOM 0 HB2 SER A 13 1.965 8.502 -6.163 1.00 0.76 H new ATOM 0 HB3 SER A 13 2.712 6.995 -5.669 1.00 0.76 H new ATOM 0 HG SER A 13 4.203 8.380 -6.814 1.00 1.41 H new ATOM 165 N ALA A 14 2.242 5.306 -9.093 1.00 1.05 N ATOM 166 CA ALA A 14 2.817 4.021 -9.597 1.00 1.21 C ATOM 167 C ALA A 14 4.343 4.128 -9.743 1.00 1.24 C ATOM 168 O ALA A 14 4.856 4.493 -10.786 1.00 2.11 O ATOM 169 CB ALA A 14 2.160 3.805 -10.961 1.00 1.53 C ATOM 0 H ALA A 14 2.074 6.014 -9.808 1.00 1.05 H new ATOM 0 HA ALA A 14 2.629 3.193 -8.914 1.00 1.21 H new ATOM 0 HB1 ALA A 14 2.530 2.879 -11.400 1.00 1.53 H new ATOM 0 HB2 ALA A 14 1.079 3.742 -10.838 1.00 1.53 H new ATOM 0 HB3 ALA A 14 2.403 4.640 -11.618 1.00 1.53 H new ATOM 175 N GLY A 15 5.067 3.806 -8.707 1.00 0.69 N ATOM 176 CA GLY A 15 6.559 3.879 -8.778 1.00 0.75 C ATOM 177 C GLY A 15 7.158 3.187 -7.554 1.00 0.54 C ATOM 178 O GLY A 15 6.926 2.013 -7.337 1.00 0.53 O ATOM 0 H GLY A 15 4.692 3.494 -7.811 1.00 0.69 H new ATOM 0 HA2 GLY A 15 6.915 3.401 -9.691 1.00 0.75 H new ATOM 0 HA3 GLY A 15 6.882 4.919 -8.816 1.00 0.75 H new ATOM 182 N PRO A 16 7.906 3.938 -6.781 1.00 0.50 N ATOM 183 CA PRO A 16 8.529 3.378 -5.560 1.00 0.42 C ATOM 184 C PRO A 16 7.493 2.913 -4.503 1.00 0.39 C ATOM 185 O PRO A 16 7.752 1.946 -3.814 1.00 0.42 O ATOM 186 CB PRO A 16 9.424 4.510 -5.051 1.00 0.56 C ATOM 187 CG PRO A 16 8.847 5.753 -5.638 1.00 0.67 C ATOM 188 CD PRO A 16 8.248 5.354 -6.964 1.00 0.66 C ATOM 0 HA PRO A 16 9.090 2.467 -5.771 1.00 0.42 H new ATOM 0 HB2 PRO A 16 9.426 4.552 -3.962 1.00 0.56 H new ATOM 0 HB3 PRO A 16 10.458 4.368 -5.366 1.00 0.56 H new ATOM 0 HG2 PRO A 16 8.089 6.178 -4.981 1.00 0.67 H new ATOM 0 HG3 PRO A 16 9.616 6.514 -5.771 1.00 0.67 H new ATOM 0 HD2 PRO A 16 7.367 5.951 -7.201 1.00 0.66 H new ATOM 0 HD3 PRO A 16 8.956 5.492 -7.781 1.00 0.66 H new ATOM 196 N PRO A 17 6.348 3.574 -4.392 1.00 0.46 N ATOM 197 CA PRO A 17 5.339 3.136 -3.394 1.00 0.50 C ATOM 198 C PRO A 17 4.503 1.972 -3.951 1.00 0.45 C ATOM 199 O PRO A 17 3.292 2.054 -4.050 1.00 0.73 O ATOM 200 CB PRO A 17 4.475 4.374 -3.193 1.00 0.64 C ATOM 201 CG PRO A 17 4.600 5.160 -4.460 1.00 0.68 C ATOM 202 CD PRO A 17 5.884 4.751 -5.140 1.00 0.61 C ATOM 0 HA PRO A 17 5.783 2.775 -2.466 1.00 0.50 H new ATOM 0 HB2 PRO A 17 3.437 4.101 -3.001 1.00 0.64 H new ATOM 0 HB3 PRO A 17 4.815 4.955 -2.336 1.00 0.64 H new ATOM 0 HG2 PRO A 17 3.747 4.970 -5.111 1.00 0.68 H new ATOM 0 HG3 PRO A 17 4.606 6.229 -4.246 1.00 0.68 H new ATOM 0 HD2 PRO A 17 5.716 4.511 -6.190 1.00 0.61 H new ATOM 0 HD3 PRO A 17 6.620 5.554 -5.110 1.00 0.61 H new ATOM 210 N TYR A 18 5.136 0.890 -4.311 1.00 0.40 N ATOM 211 CA TYR A 18 4.373 -0.274 -4.855 1.00 0.35 C ATOM 212 C TYR A 18 4.100 -1.296 -3.740 1.00 0.28 C ATOM 213 O TYR A 18 4.868 -1.438 -2.804 1.00 0.32 O ATOM 214 CB TYR A 18 5.250 -0.859 -5.976 1.00 0.35 C ATOM 215 CG TYR A 18 6.553 -1.377 -5.416 1.00 0.29 C ATOM 216 CD1 TYR A 18 6.622 -2.671 -4.896 1.00 0.37 C ATOM 217 CD2 TYR A 18 7.688 -0.560 -5.419 1.00 0.31 C ATOM 218 CE1 TYR A 18 7.830 -3.149 -4.376 1.00 0.39 C ATOM 219 CE2 TYR A 18 8.895 -1.037 -4.898 1.00 0.34 C ATOM 220 CZ TYR A 18 8.965 -2.332 -4.376 1.00 0.35 C ATOM 221 OH TYR A 18 10.156 -2.803 -3.858 1.00 0.45 O ATOM 0 H TYR A 18 6.146 0.759 -4.253 1.00 0.40 H new ATOM 0 HA TYR A 18 3.397 0.014 -5.245 1.00 0.35 H new ATOM 0 HB2 TYR A 18 4.717 -1.667 -6.478 1.00 0.35 H new ATOM 0 HB3 TYR A 18 5.449 -0.094 -6.726 1.00 0.35 H new ATOM 0 HD1 TYR A 18 5.745 -3.301 -4.895 1.00 0.37 H new ATOM 0 HD2 TYR A 18 7.632 0.440 -5.824 1.00 0.31 H new ATOM 0 HE1 TYR A 18 7.886 -4.150 -3.974 1.00 0.39 H new ATOM 0 HE2 TYR A 18 9.772 -0.406 -4.899 1.00 0.34 H new ATOM 0 HH TYR A 18 10.048 -2.983 -2.901 1.00 0.45 H new ATOM 231 N CYS A 19 2.999 -1.996 -3.820 1.00 0.25 N ATOM 232 CA CYS A 19 2.664 -2.991 -2.755 1.00 0.22 C ATOM 233 C CYS A 19 3.301 -4.351 -3.058 1.00 0.20 C ATOM 234 O CYS A 19 3.984 -4.519 -4.046 1.00 0.24 O ATOM 235 CB CYS A 19 1.136 -3.062 -2.750 1.00 0.23 C ATOM 236 SG CYS A 19 0.498 -1.478 -2.156 1.00 0.25 S ATOM 0 H CYS A 19 2.317 -1.923 -4.575 1.00 0.25 H new ATOM 0 HA CYS A 19 3.051 -2.701 -1.778 1.00 0.22 H new ATOM 0 HB2 CYS A 19 0.762 -3.270 -3.752 1.00 0.23 H new ATOM 0 HB3 CYS A 19 0.795 -3.874 -2.107 1.00 0.23 H new ATOM 241 N CYS A 20 3.119 -5.314 -2.191 1.00 0.21 N ATOM 242 CA CYS A 20 3.758 -6.654 -2.407 1.00 0.22 C ATOM 243 C CYS A 20 2.874 -7.610 -3.216 1.00 0.22 C ATOM 244 O CYS A 20 3.357 -8.305 -4.084 1.00 0.29 O ATOM 245 CB CYS A 20 3.982 -7.198 -0.998 1.00 0.26 C ATOM 246 SG CYS A 20 5.442 -8.269 -0.966 1.00 0.33 S ATOM 0 H CYS A 20 2.557 -5.234 -1.343 1.00 0.21 H new ATOM 0 HA CYS A 20 4.677 -6.561 -2.986 1.00 0.22 H new ATOM 0 HB2 CYS A 20 4.112 -6.373 -0.298 1.00 0.26 H new ATOM 0 HB3 CYS A 20 3.105 -7.757 -0.672 1.00 0.26 H new ATOM 251 N SER A 21 1.598 -7.670 -2.935 1.00 0.23 N ATOM 252 CA SER A 21 0.718 -8.612 -3.700 1.00 0.26 C ATOM 253 C SER A 21 -0.187 -7.841 -4.666 1.00 0.25 C ATOM 254 O SER A 21 0.013 -7.863 -5.866 1.00 0.34 O ATOM 255 CB SER A 21 -0.108 -9.343 -2.637 1.00 0.30 C ATOM 256 OG SER A 21 0.044 -10.746 -2.808 1.00 1.22 O ATOM 0 H SER A 21 1.129 -7.116 -2.218 1.00 0.23 H new ATOM 0 HA SER A 21 1.295 -9.307 -4.310 1.00 0.26 H new ATOM 0 HB2 SER A 21 0.219 -9.049 -1.640 1.00 0.30 H new ATOM 0 HB3 SER A 21 -1.159 -9.066 -2.722 1.00 0.30 H new ATOM 0 HG SER A 21 -0.482 -11.217 -2.128 1.00 1.22 H new ATOM 262 N SER A 22 -1.185 -7.166 -4.154 1.00 0.23 N ATOM 263 CA SER A 22 -2.105 -6.396 -5.045 1.00 0.25 C ATOM 264 C SER A 22 -3.076 -5.499 -4.254 1.00 0.22 C ATOM 265 O SER A 22 -4.059 -5.032 -4.796 1.00 0.29 O ATOM 266 CB SER A 22 -2.890 -7.456 -5.823 1.00 0.30 C ATOM 267 OG SER A 22 -2.233 -7.728 -7.058 1.00 0.39 O ATOM 0 H SER A 22 -1.402 -7.115 -3.159 1.00 0.23 H new ATOM 0 HA SER A 22 -1.539 -5.725 -5.691 1.00 0.25 H new ATOM 0 HB2 SER A 22 -2.970 -8.369 -5.233 1.00 0.30 H new ATOM 0 HB3 SER A 22 -3.906 -7.107 -6.009 1.00 0.30 H new ATOM 0 HG SER A 22 -1.297 -7.961 -6.886 1.00 0.39 H new ATOM 273 N TYR A 23 -2.828 -5.239 -2.990 1.00 0.22 N ATOM 274 CA TYR A 23 -3.769 -4.363 -2.223 1.00 0.21 C ATOM 275 C TYR A 23 -3.051 -3.116 -1.716 1.00 0.20 C ATOM 276 O TYR A 23 -1.880 -3.148 -1.383 1.00 0.20 O ATOM 277 CB TYR A 23 -4.234 -5.196 -1.037 1.00 0.22 C ATOM 278 CG TYR A 23 -5.515 -4.624 -0.475 1.00 0.22 C ATOM 279 CD1 TYR A 23 -5.454 -3.583 0.458 1.00 0.30 C ATOM 280 CD2 TYR A 23 -6.756 -5.130 -0.878 1.00 0.30 C ATOM 281 CE1 TYR A 23 -6.631 -3.047 0.989 1.00 0.33 C ATOM 282 CE2 TYR A 23 -7.936 -4.594 -0.345 1.00 0.35 C ATOM 283 CZ TYR A 23 -7.872 -3.551 0.589 1.00 0.32 C ATOM 284 OH TYR A 23 -9.030 -3.016 1.120 1.00 0.39 O ATOM 0 H TYR A 23 -2.027 -5.590 -2.464 1.00 0.22 H new ATOM 0 HA TYR A 23 -4.598 -4.034 -2.849 1.00 0.21 H new ATOM 0 HB2 TYR A 23 -4.392 -6.229 -1.347 1.00 0.22 H new ATOM 0 HB3 TYR A 23 -3.463 -5.209 -0.267 1.00 0.22 H new ATOM 0 HD1 TYR A 23 -4.496 -3.193 0.768 1.00 0.30 H new ATOM 0 HD2 TYR A 23 -6.804 -5.933 -1.599 1.00 0.30 H new ATOM 0 HE1 TYR A 23 -6.581 -2.243 1.709 1.00 0.33 H new ATOM 0 HE2 TYR A 23 -8.894 -4.984 -0.654 1.00 0.35 H new ATOM 0 HH TYR A 23 -8.836 -2.619 1.995 1.00 0.39 H new ATOM 294 N CYS A 24 -3.762 -2.029 -1.633 1.00 0.20 N ATOM 295 CA CYS A 24 -3.164 -0.756 -1.122 1.00 0.20 C ATOM 296 C CYS A 24 -4.254 0.112 -0.475 1.00 0.19 C ATOM 297 O CYS A 24 -5.073 0.695 -1.158 1.00 0.23 O ATOM 298 CB CYS A 24 -2.582 -0.052 -2.354 1.00 0.23 C ATOM 299 SG CYS A 24 -1.992 1.597 -1.889 1.00 0.27 S ATOM 0 H CYS A 24 -4.744 -1.963 -1.899 1.00 0.20 H new ATOM 0 HA CYS A 24 -2.401 -0.937 -0.365 1.00 0.20 H new ATOM 0 HB2 CYS A 24 -1.762 -0.639 -2.768 1.00 0.23 H new ATOM 0 HB3 CYS A 24 -3.341 0.028 -3.132 1.00 0.23 H new ATOM 304 N PHE A 25 -4.277 0.201 0.830 1.00 0.21 N ATOM 305 CA PHE A 25 -5.321 1.027 1.511 1.00 0.21 C ATOM 306 C PHE A 25 -4.761 2.409 1.868 1.00 0.19 C ATOM 307 O PHE A 25 -4.200 2.598 2.930 1.00 0.23 O ATOM 308 CB PHE A 25 -5.660 0.251 2.781 1.00 0.24 C ATOM 309 CG PHE A 25 -7.102 0.501 3.159 1.00 0.28 C ATOM 310 CD1 PHE A 25 -8.127 -0.259 2.579 1.00 0.55 C ATOM 311 CD2 PHE A 25 -7.414 1.499 4.091 1.00 0.63 C ATOM 312 CE1 PHE A 25 -9.459 -0.022 2.932 1.00 0.57 C ATOM 313 CE2 PHE A 25 -8.747 1.737 4.442 1.00 0.68 C ATOM 314 CZ PHE A 25 -9.769 0.977 3.863 1.00 0.43 C ATOM 0 H PHE A 25 -3.618 -0.263 1.455 1.00 0.21 H new ATOM 0 HA PHE A 25 -6.194 1.192 0.879 1.00 0.21 H new ATOM 0 HB2 PHE A 25 -5.495 -0.815 2.623 1.00 0.24 H new ATOM 0 HB3 PHE A 25 -5.002 0.559 3.594 1.00 0.24 H new ATOM 0 HD1 PHE A 25 -7.888 -1.028 1.859 1.00 0.55 H new ATOM 0 HD2 PHE A 25 -6.625 2.085 4.539 1.00 0.63 H new ATOM 0 HE1 PHE A 25 -10.249 -0.609 2.487 1.00 0.57 H new ATOM 0 HE2 PHE A 25 -8.987 2.507 5.160 1.00 0.68 H new ATOM 0 HZ PHE A 25 -10.798 1.161 4.134 1.00 0.43 H new ATOM 324 N GLN A 26 -4.906 3.368 0.995 1.00 0.21 N ATOM 325 CA GLN A 26 -4.378 4.738 1.283 1.00 0.20 C ATOM 326 C GLN A 26 -5.522 5.753 1.347 1.00 0.22 C ATOM 327 O GLN A 26 -6.526 5.617 0.677 1.00 0.32 O ATOM 328 CB GLN A 26 -3.431 5.037 0.119 1.00 0.24 C ATOM 329 CG GLN A 26 -2.930 6.485 0.212 1.00 0.28 C ATOM 330 CD GLN A 26 -3.371 7.288 -1.017 1.00 0.33 C ATOM 331 OE1 GLN A 26 -2.548 7.796 -1.747 1.00 0.69 O ATOM 332 NE2 GLN A 26 -4.637 7.440 -1.276 1.00 0.89 N ATOM 0 H GLN A 26 -5.368 3.264 0.092 1.00 0.21 H new ATOM 0 HA GLN A 26 -3.870 4.798 2.245 1.00 0.20 H new ATOM 0 HB2 GLN A 26 -2.586 4.349 0.140 1.00 0.24 H new ATOM 0 HB3 GLN A 26 -3.946 4.881 -0.829 1.00 0.24 H new ATOM 0 HG2 GLN A 26 -3.318 6.952 1.117 1.00 0.28 H new ATOM 0 HG3 GLN A 26 -1.843 6.495 0.289 1.00 0.28 H new ATOM 0 HE21 GLN A 26 -5.337 7.016 -0.667 1.00 0.89 H new ATOM 0 HE22 GLN A 26 -4.930 7.983 -2.088 1.00 0.89 H new ATOM 341 N ILE A 27 -5.370 6.778 2.148 1.00 0.22 N ATOM 342 CA ILE A 27 -6.449 7.812 2.255 1.00 0.30 C ATOM 343 C ILE A 27 -5.916 9.189 1.843 1.00 0.37 C ATOM 344 O ILE A 27 -4.720 9.419 1.784 1.00 0.36 O ATOM 345 CB ILE A 27 -6.925 7.824 3.722 1.00 0.37 C ATOM 346 CG1 ILE A 27 -5.897 7.155 4.649 1.00 0.46 C ATOM 347 CG2 ILE A 27 -8.251 7.067 3.823 1.00 0.59 C ATOM 348 CD1 ILE A 27 -6.398 7.199 6.096 1.00 0.59 C ATOM 0 H ILE A 27 -4.550 6.945 2.731 1.00 0.22 H new ATOM 0 HA ILE A 27 -7.278 7.576 1.588 1.00 0.30 H new ATOM 0 HB ILE A 27 -7.047 8.861 4.034 1.00 0.37 H new ATOM 0 HG12 ILE A 27 -5.735 6.122 4.342 1.00 0.46 H new ATOM 0 HG13 ILE A 27 -4.937 7.665 4.571 1.00 0.46 H new ATOM 0 HG21 ILE A 27 -8.594 7.071 4.858 1.00 0.59 H new ATOM 0 HG22 ILE A 27 -8.996 7.552 3.192 1.00 0.59 H new ATOM 0 HG23 ILE A 27 -8.109 6.038 3.492 1.00 0.59 H new ATOM 0 HD11 ILE A 27 -5.666 6.724 6.749 1.00 0.59 H new ATOM 0 HD12 ILE A 27 -6.537 8.236 6.401 1.00 0.59 H new ATOM 0 HD13 ILE A 27 -7.347 6.669 6.169 1.00 0.59 H new ATOM 360 N ALA A 28 -6.804 10.102 1.542 1.00 0.50 N ATOM 361 CA ALA A 28 -6.375 11.467 1.110 1.00 0.61 C ATOM 362 C ALA A 28 -5.951 12.321 2.315 1.00 0.64 C ATOM 363 O ALA A 28 -6.378 12.101 3.433 1.00 0.80 O ATOM 364 CB ALA A 28 -7.606 12.067 0.426 1.00 0.77 C ATOM 0 H ALA A 28 -7.813 9.960 1.577 1.00 0.50 H new ATOM 0 HA ALA A 28 -5.511 11.430 0.446 1.00 0.61 H new ATOM 0 HB1 ALA A 28 -7.374 13.074 0.078 1.00 0.77 H new ATOM 0 HB2 ALA A 28 -7.889 11.446 -0.423 1.00 0.77 H new ATOM 0 HB3 ALA A 28 -8.432 12.110 1.136 1.00 0.77 H new ATOM 370 N GLY A 29 -5.106 13.293 2.084 1.00 0.65 N ATOM 371 CA GLY A 29 -4.632 14.175 3.193 1.00 0.68 C ATOM 372 C GLY A 29 -3.105 14.188 3.209 1.00 0.56 C ATOM 373 O GLY A 29 -2.486 15.220 3.362 1.00 0.66 O ATOM 0 H GLY A 29 -4.721 13.515 1.166 1.00 0.65 H new ATOM 0 HA2 GLY A 29 -5.014 15.187 3.057 1.00 0.68 H new ATOM 0 HA3 GLY A 29 -5.014 13.815 4.148 1.00 0.68 H new ATOM 377 N GLN A 30 -2.497 13.038 3.062 1.00 0.41 N ATOM 378 CA GLN A 30 -1.002 12.971 3.081 1.00 0.36 C ATOM 379 C GLN A 30 -0.445 11.926 2.090 1.00 0.34 C ATOM 380 O GLN A 30 0.744 11.675 2.067 1.00 0.38 O ATOM 381 CB GLN A 30 -0.677 12.558 4.511 1.00 0.40 C ATOM 382 CG GLN A 30 0.655 13.184 4.930 1.00 0.57 C ATOM 383 CD GLN A 30 1.484 12.172 5.731 1.00 0.75 C ATOM 384 OE1 GLN A 30 1.306 10.979 5.604 1.00 1.06 O ATOM 385 NE2 GLN A 30 2.393 12.601 6.552 1.00 1.47 N ATOM 0 H GLN A 30 -2.969 12.144 2.930 1.00 0.41 H new ATOM 0 HA GLN A 30 -0.556 13.920 2.783 1.00 0.36 H new ATOM 0 HB2 GLN A 30 -1.471 12.881 5.184 1.00 0.40 H new ATOM 0 HB3 GLN A 30 -0.620 11.472 4.584 1.00 0.40 H new ATOM 0 HG2 GLN A 30 1.210 13.503 4.047 1.00 0.57 H new ATOM 0 HG3 GLN A 30 0.474 14.075 5.532 1.00 0.57 H new ATOM 0 HE21 GLN A 30 2.548 13.603 6.663 1.00 1.47 H new ATOM 0 HE22 GLN A 30 2.953 11.936 7.086 1.00 1.47 H new ATOM 394 N SER A 31 -1.287 11.307 1.290 1.00 0.36 N ATOM 395 CA SER A 31 -0.804 10.266 0.318 1.00 0.41 C ATOM 396 C SER A 31 -0.155 9.105 1.084 1.00 0.34 C ATOM 397 O SER A 31 0.955 8.687 0.797 1.00 0.42 O ATOM 398 CB SER A 31 0.208 10.976 -0.600 1.00 0.52 C ATOM 399 OG SER A 31 1.009 10.007 -1.272 1.00 0.61 O ATOM 0 H SER A 31 -2.292 11.479 1.268 1.00 0.36 H new ATOM 0 HA SER A 31 -1.617 9.841 -0.270 1.00 0.41 H new ATOM 0 HB2 SER A 31 -0.318 11.595 -1.327 1.00 0.52 H new ATOM 0 HB3 SER A 31 0.841 11.642 -0.013 1.00 0.52 H new ATOM 0 HG SER A 31 1.495 9.469 -0.612 1.00 0.61 H new ATOM 405 N TYR A 32 -0.849 8.582 2.059 1.00 0.29 N ATOM 406 CA TYR A 32 -0.290 7.447 2.854 1.00 0.27 C ATOM 407 C TYR A 32 -1.325 6.321 2.992 1.00 0.22 C ATOM 408 O TYR A 32 -2.502 6.559 3.211 1.00 0.24 O ATOM 409 CB TYR A 32 0.082 8.052 4.219 1.00 0.31 C ATOM 410 CG TYR A 32 -1.161 8.377 5.017 1.00 0.33 C ATOM 411 CD1 TYR A 32 -1.895 9.534 4.733 1.00 0.42 C ATOM 412 CD2 TYR A 32 -1.569 7.525 6.048 1.00 0.49 C ATOM 413 CE1 TYR A 32 -3.038 9.839 5.480 1.00 0.56 C ATOM 414 CE2 TYR A 32 -2.715 7.830 6.795 1.00 0.61 C ATOM 415 CZ TYR A 32 -3.448 8.988 6.511 1.00 0.62 C ATOM 416 OH TYR A 32 -4.573 9.290 7.250 1.00 0.80 O ATOM 0 H TYR A 32 -1.779 8.891 2.340 1.00 0.29 H new ATOM 0 HA TYR A 32 0.578 6.995 2.375 1.00 0.27 H new ATOM 0 HB2 TYR A 32 0.704 7.351 4.775 1.00 0.31 H new ATOM 0 HB3 TYR A 32 0.673 8.956 4.073 1.00 0.31 H new ATOM 0 HD1 TYR A 32 -1.579 10.192 3.937 1.00 0.42 H new ATOM 0 HD2 TYR A 32 -1.002 6.633 6.268 1.00 0.49 H new ATOM 0 HE1 TYR A 32 -3.604 10.732 5.260 1.00 0.56 H new ATOM 0 HE2 TYR A 32 -3.033 7.171 7.590 1.00 0.61 H new ATOM 0 HH TYR A 32 -4.717 8.594 7.925 1.00 0.80 H new ATOM 426 N GLY A 33 -0.893 5.092 2.848 1.00 0.22 N ATOM 427 CA GLY A 33 -1.841 3.941 2.956 1.00 0.23 C ATOM 428 C GLY A 33 -1.096 2.667 3.340 1.00 0.20 C ATOM 429 O GLY A 33 0.061 2.711 3.734 1.00 0.25 O ATOM 0 H GLY A 33 0.076 4.837 2.660 1.00 0.22 H new ATOM 0 HA2 GLY A 33 -2.605 4.161 3.702 1.00 0.23 H new ATOM 0 HA3 GLY A 33 -2.355 3.796 2.006 1.00 0.23 H new ATOM 433 N VAL A 34 -1.747 1.534 3.231 1.00 0.19 N ATOM 434 CA VAL A 34 -1.073 0.247 3.596 1.00 0.20 C ATOM 435 C VAL A 34 -1.345 -0.830 2.542 1.00 0.19 C ATOM 436 O VAL A 34 -2.443 -0.962 2.033 1.00 0.23 O ATOM 437 CB VAL A 34 -1.647 -0.162 4.961 1.00 0.25 C ATOM 438 CG1 VAL A 34 -1.329 0.918 5.996 1.00 0.38 C ATOM 439 CG2 VAL A 34 -3.166 -0.341 4.867 1.00 0.32 C ATOM 0 H VAL A 34 -2.710 1.444 2.907 1.00 0.19 H new ATOM 0 HA VAL A 34 0.009 0.366 3.643 1.00 0.20 H new ATOM 0 HB VAL A 34 -1.195 -1.107 5.263 1.00 0.25 H new ATOM 0 HG11 VAL A 34 -1.737 0.626 6.964 1.00 0.38 H new ATOM 0 HG12 VAL A 34 -0.249 1.036 6.078 1.00 0.38 H new ATOM 0 HG13 VAL A 34 -1.774 1.863 5.685 1.00 0.38 H new ATOM 0 HG21 VAL A 34 -3.559 -0.631 5.841 1.00 0.32 H new ATOM 0 HG22 VAL A 34 -3.624 0.598 4.555 1.00 0.32 H new ATOM 0 HG23 VAL A 34 -3.396 -1.117 4.137 1.00 0.32 H new ATOM 449 N CYS A 35 -0.348 -1.599 2.197 1.00 0.18 N ATOM 450 CA CYS A 35 -0.548 -2.658 1.162 1.00 0.18 C ATOM 451 C CYS A 35 -1.014 -3.978 1.780 1.00 0.18 C ATOM 452 O CYS A 35 -0.833 -4.246 2.955 1.00 0.20 O ATOM 453 CB CYS A 35 0.804 -2.852 0.499 1.00 0.20 C ATOM 454 SG CYS A 35 1.305 -1.315 -0.311 1.00 0.24 S ATOM 0 H CYS A 35 0.594 -1.542 2.584 1.00 0.18 H new ATOM 0 HA CYS A 35 -1.320 -2.356 0.454 1.00 0.18 H new ATOM 0 HB2 CYS A 35 1.547 -3.143 1.242 1.00 0.20 H new ATOM 0 HB3 CYS A 35 0.750 -3.660 -0.231 1.00 0.20 H new ATOM 459 N LYS A 36 -1.607 -4.796 0.962 1.00 0.18 N ATOM 460 CA LYS A 36 -2.119 -6.132 1.419 1.00 0.18 C ATOM 461 C LYS A 36 -2.106 -7.142 0.253 1.00 0.17 C ATOM 462 O LYS A 36 -1.507 -6.902 -0.784 1.00 0.24 O ATOM 463 CB LYS A 36 -3.541 -5.857 1.905 1.00 0.22 C ATOM 464 CG LYS A 36 -3.652 -6.217 3.389 1.00 0.27 C ATOM 465 CD LYS A 36 -4.182 -7.646 3.532 1.00 0.28 C ATOM 466 CE LYS A 36 -3.120 -8.538 4.184 1.00 0.33 C ATOM 467 NZ LYS A 36 -3.522 -9.942 3.851 1.00 0.32 N ATOM 0 H LYS A 36 -1.766 -4.599 -0.026 1.00 0.18 H new ATOM 0 HA LYS A 36 -1.504 -6.571 2.204 1.00 0.18 H new ATOM 0 HB2 LYS A 36 -3.791 -4.807 1.755 1.00 0.22 H new ATOM 0 HB3 LYS A 36 -4.255 -6.441 1.324 1.00 0.22 H new ATOM 0 HG2 LYS A 36 -2.677 -6.130 3.869 1.00 0.27 H new ATOM 0 HG3 LYS A 36 -4.319 -5.519 3.894 1.00 0.27 H new ATOM 0 HD2 LYS A 36 -5.090 -7.647 4.136 1.00 0.28 H new ATOM 0 HD3 LYS A 36 -4.450 -8.043 2.553 1.00 0.28 H new ATOM 0 HE2 LYS A 36 -2.126 -8.312 3.798 1.00 0.33 H new ATOM 0 HE3 LYS A 36 -3.086 -8.384 5.263 1.00 0.33 H new ATOM 0 HZ1 LYS A 36 -3.334 -10.560 4.666 1.00 0.32 H new ATOM 0 HZ2 LYS A 36 -4.537 -9.968 3.624 1.00 0.32 H new ATOM 0 HZ3 LYS A 36 -2.975 -10.274 3.031 1.00 0.32 H new ATOM 481 N ASN A 37 -2.758 -8.265 0.419 1.00 0.20 N ATOM 482 CA ASN A 37 -2.786 -9.301 -0.666 1.00 0.21 C ATOM 483 C ASN A 37 -3.735 -8.894 -1.809 1.00 0.22 C ATOM 484 O ASN A 37 -3.288 -8.494 -2.867 1.00 0.26 O ATOM 485 CB ASN A 37 -3.288 -10.582 0.013 1.00 0.25 C ATOM 486 CG ASN A 37 -2.202 -11.148 0.923 1.00 0.29 C ATOM 487 OD1 ASN A 37 -2.103 -10.768 2.077 1.00 0.31 O ATOM 488 ND2 ASN A 37 -1.383 -12.048 0.462 1.00 0.41 N ATOM 0 H ASN A 37 -3.275 -8.513 1.262 1.00 0.20 H new ATOM 0 HA ASN A 37 -1.802 -9.428 -1.117 1.00 0.21 H new ATOM 0 HB2 ASN A 37 -4.186 -10.368 0.593 1.00 0.25 H new ATOM 0 HB3 ASN A 37 -3.564 -11.319 -0.741 1.00 0.25 H new ATOM 0 HD21 ASN A 37 -0.658 -12.435 1.066 1.00 0.41 H new ATOM 0 HD22 ASN A 37 -1.466 -12.366 -0.504 1.00 0.41 H new ATOM 495 N ARG A 38 -5.034 -9.022 -1.595 1.00 0.25 N ATOM 496 CA ARG A 38 -6.065 -8.686 -2.646 1.00 0.29 C ATOM 497 C ARG A 38 -6.163 -9.813 -3.684 1.00 0.36 C ATOM 498 CB ARG A 38 -5.625 -7.380 -3.321 1.00 0.29 C ATOM 499 CG ARG A 38 -6.821 -6.752 -4.048 1.00 0.35 C ATOM 500 CD ARG A 38 -6.559 -6.727 -5.558 1.00 0.36 C ATOM 501 NE ARG A 38 -6.558 -8.164 -5.976 1.00 0.37 N ATOM 502 CZ ARG A 38 -5.693 -8.594 -6.843 1.00 0.41 C ATOM 503 NH1 ARG A 38 -5.668 -8.090 -8.036 1.00 0.50 N ATOM 504 NH2 ARG A 38 -4.864 -9.534 -6.516 1.00 0.43 N ATOM 0 H ARG A 38 -5.430 -9.353 -0.715 1.00 0.25 H new ATOM 0 HA ARG A 38 -7.048 -8.571 -2.190 1.00 0.29 H new ATOM 0 HB2 ARG A 38 -5.234 -6.687 -2.576 1.00 0.29 H new ATOM 0 HB3 ARG A 38 -4.819 -7.577 -4.028 1.00 0.29 H new ATOM 0 HG2 ARG A 38 -7.726 -7.321 -3.837 1.00 0.35 H new ATOM 0 HG3 ARG A 38 -6.989 -5.739 -3.682 1.00 0.35 H new ATOM 0 HD2 ARG A 38 -7.331 -6.164 -6.083 1.00 0.36 H new ATOM 0 HD3 ARG A 38 -5.606 -6.249 -5.785 1.00 0.36 H new ATOM 0 HE ARG A 38 -7.241 -8.809 -5.578 1.00 0.37 H new ATOM 0 HH11 ARG A 38 -6.328 -7.356 -8.293 1.00 0.50 H new ATOM 0 HH12 ARG A 38 -4.989 -8.427 -8.718 1.00 0.50 H new ATOM 0 HH21 ARG A 38 -4.892 -9.935 -5.579 1.00 0.43 H new ATOM 0 HH22 ARG A 38 -4.184 -9.873 -7.196 1.00 0.43 H new