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= 0.872 K(o=2.3,f=-21!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -169:sc= 0.937! (180deg=0) USER MOD Set 1.3: A 37 ASN : amide:sc= 0.527 K(o=2.3,f=-22!) USER MOD Set 2.1: A 5 LYS NZ :NH3+ 163:sc= 1.18! (180deg=0.0204) USER MOD Set 2.2: A 21 SER OG : rot -130:sc= -0.239 USER MOD Set 3.1: A 1 ALA N :NH3+ -175:sc= 0.911 (180deg=0) USER MOD Set 3.2: A 18 TYR OH : rot 174:sc= 0.588 USER MOD Set 4.1: A 11 ASN : amide:sc= 1.51! C(o=5.1!,f=-7.6!) USER MOD Set 4.2: A 13 SER OG : rot 137:sc= 1.94 USER MOD Set 4.3: A 26 GLN : amide:sc= 0.639 K(o=5.1,f=-6.9!) USER MOD Set 4.4: A 31 SER OG : rot 180:sc= 1.02 USER MOD Single : A 22 SER OG : rot 158:sc= -0.21! USER MOD Single : A 23 TYR OH : rot 175:sc= 0.713 USER MOD Single : A 30 GLN : amide:sc= -0.31 K(o=-0.31,f=-2.6!) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.963 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.518 -4.448 -6.032 1.00 0.82 N ATOM 2 CA ALA A 1 12.236 -4.389 -4.721 1.00 0.91 C ATOM 3 C ALA A 1 11.473 -5.203 -3.664 1.00 0.76 C ATOM 4 O ALA A 1 10.480 -5.837 -3.966 1.00 0.68 O ATOM 5 CB ALA A 1 12.260 -2.901 -4.349 1.00 1.04 C ATOM 0 H1 ALA A 1 12.084 -3.967 -6.760 1.00 0.82 H new ATOM 0 H2 ALA A 1 11.375 -5.441 -6.305 1.00 0.82 H new ATOM 0 H3 ALA A 1 10.595 -3.977 -5.944 1.00 0.82 H new ATOM 0 HA ALA A 1 13.241 -4.808 -4.777 1.00 0.91 H new ATOM 0 HB1 ALA A 1 12.772 -2.773 -3.395 1.00 1.04 H new ATOM 0 HB2 ALA A 1 12.787 -2.341 -5.122 1.00 1.04 H new ATOM 0 HB3 ALA A 1 11.238 -2.530 -4.265 1.00 1.04 H new ATOM 10 N GLY A 2 11.926 -5.189 -2.433 1.00 0.82 N ATOM 11 CA GLY A 2 11.221 -5.963 -1.360 1.00 0.72 C ATOM 12 C GLY A 2 9.859 -5.325 -1.053 1.00 0.58 C ATOM 13 O GLY A 2 9.586 -4.198 -1.425 1.00 0.65 O ATOM 0 H GLY A 2 12.752 -4.676 -2.124 1.00 0.82 H new ATOM 0 HA2 GLY A 2 11.083 -6.996 -1.678 1.00 0.72 H new ATOM 0 HA3 GLY A 2 11.832 -5.986 -0.457 1.00 0.72 H new ATOM 17 N CYS A 3 9.002 -6.042 -0.368 1.00 0.46 N ATOM 18 CA CYS A 3 7.649 -5.490 -0.020 1.00 0.35 C ATOM 19 C CYS A 3 7.093 -6.189 1.228 1.00 0.30 C ATOM 20 O CYS A 3 7.676 -7.130 1.731 1.00 0.36 O ATOM 21 CB CYS A 3 6.761 -5.775 -1.240 1.00 0.31 C ATOM 22 SG CYS A 3 6.578 -7.565 -1.479 1.00 0.35 S ATOM 0 H CYS A 3 9.179 -6.989 -0.033 1.00 0.46 H new ATOM 0 HA CYS A 3 7.691 -4.424 0.205 1.00 0.35 H new ATOM 0 HB2 CYS A 3 5.782 -5.318 -1.101 1.00 0.31 H new ATOM 0 HB3 CYS A 3 7.199 -5.325 -2.131 1.00 0.31 H new ATOM 27 N ILE A 4 5.964 -5.744 1.728 1.00 0.27 N ATOM 28 CA ILE A 4 5.374 -6.397 2.942 1.00 0.28 C ATOM 29 C ILE A 4 3.904 -6.762 2.691 1.00 0.28 C ATOM 30 O ILE A 4 3.098 -5.927 2.313 1.00 0.36 O ATOM 31 CB ILE A 4 5.488 -5.367 4.073 1.00 0.33 C ATOM 32 CG1 ILE A 4 6.964 -5.107 4.399 1.00 0.47 C ATOM 33 CG2 ILE A 4 4.795 -5.909 5.327 1.00 0.42 C ATOM 34 CD1 ILE A 4 7.108 -3.730 5.053 1.00 0.76 C ATOM 0 H ILE A 4 5.428 -4.962 1.351 1.00 0.27 H new ATOM 0 HA ILE A 4 5.895 -7.321 3.193 1.00 0.28 H new ATOM 0 HB ILE A 4 5.015 -4.438 3.754 1.00 0.33 H new ATOM 0 HG12 ILE A 4 7.341 -5.880 5.068 1.00 0.47 H new ATOM 0 HG13 ILE A 4 7.562 -5.153 3.489 1.00 0.47 H new ATOM 0 HG21 ILE A 4 4.875 -5.178 6.132 1.00 0.42 H new ATOM 0 HG22 ILE A 4 3.743 -6.095 5.110 1.00 0.42 H new ATOM 0 HG23 ILE A 4 5.273 -6.840 5.633 1.00 0.42 H new ATOM 0 HD11 ILE A 4 8.157 -3.545 5.285 1.00 0.76 H new ATOM 0 HD12 ILE A 4 6.747 -2.963 4.368 1.00 0.76 H new ATOM 0 HD13 ILE A 4 6.523 -3.701 5.972 1.00 0.76 H new ATOM 46 N LYS A 5 3.556 -8.009 2.888 1.00 0.30 N ATOM 47 CA LYS A 5 2.152 -8.457 2.664 1.00 0.34 C ATOM 48 C LYS A 5 1.254 -8.042 3.840 1.00 0.34 C ATOM 49 O LYS A 5 0.213 -7.436 3.656 1.00 0.43 O ATOM 50 CB LYS A 5 2.237 -9.986 2.566 1.00 0.39 C ATOM 51 CG LYS A 5 1.317 -10.486 1.450 1.00 0.46 C ATOM 52 CD LYS A 5 2.027 -11.580 0.645 1.00 0.36 C ATOM 53 CE LYS A 5 2.872 -10.946 -0.464 1.00 0.34 C ATOM 54 NZ LYS A 5 1.963 -10.860 -1.645 1.00 0.30 N ATOM 0 H LYS A 5 4.194 -8.742 3.198 1.00 0.30 H new ATOM 0 HA LYS A 5 1.718 -8.010 1.770 1.00 0.34 H new ATOM 0 HB2 LYS A 5 3.264 -10.290 2.366 1.00 0.39 H new ATOM 0 HB3 LYS A 5 1.950 -10.437 3.516 1.00 0.39 H new ATOM 0 HG2 LYS A 5 0.393 -10.876 1.875 1.00 0.46 H new ATOM 0 HG3 LYS A 5 1.042 -9.659 0.795 1.00 0.46 H new ATOM 0 HD2 LYS A 5 2.661 -12.174 1.303 1.00 0.36 H new ATOM 0 HD3 LYS A 5 1.293 -12.259 0.212 1.00 0.36 H new ATOM 0 HE2 LYS A 5 3.231 -9.960 -0.171 1.00 0.34 H new ATOM 0 HE3 LYS A 5 3.750 -11.552 -0.686 1.00 0.34 H new ATOM 0 HZ1 LYS A 5 2.357 -10.192 -2.338 1.00 0.30 H new ATOM 0 HZ2 LYS A 5 1.872 -11.799 -2.082 1.00 0.30 H new ATOM 0 HZ3 LYS A 5 1.026 -10.529 -1.339 1.00 0.30 H new ATOM 68 N ASN A 6 1.650 -8.367 5.046 1.00 0.31 N ATOM 69 CA ASN A 6 0.823 -8.002 6.239 1.00 0.33 C ATOM 70 C ASN A 6 1.250 -6.635 6.799 1.00 0.35 C ATOM 71 O ASN A 6 1.681 -6.523 7.929 1.00 0.50 O ATOM 72 CB ASN A 6 1.076 -9.125 7.260 1.00 0.36 C ATOM 73 CG ASN A 6 -0.233 -9.864 7.563 1.00 0.51 C ATOM 74 OD1 ASN A 6 -1.174 -9.806 6.793 1.00 0.53 O ATOM 75 ND2 ASN A 6 -0.339 -10.562 8.656 1.00 1.12 N ATOM 0 H ASN A 6 2.512 -8.870 5.257 1.00 0.31 H new ATOM 0 HA ASN A 6 -0.235 -7.912 5.994 1.00 0.33 H new ATOM 0 HB2 ASN A 6 1.815 -9.824 6.868 1.00 0.36 H new ATOM 0 HB3 ASN A 6 1.488 -8.707 8.178 1.00 0.36 H new ATOM 0 HD21 ASN A 6 -1.207 -11.056 8.863 1.00 1.12 H new ATOM 0 HD22 ASN A 6 0.446 -10.615 9.306 1.00 1.12 H new ATOM 82 N GLY A 7 1.121 -5.591 6.013 1.00 0.37 N ATOM 83 CA GLY A 7 1.506 -4.228 6.503 1.00 0.43 C ATOM 84 C GLY A 7 2.515 -3.574 5.552 1.00 0.36 C ATOM 85 O GLY A 7 3.623 -3.260 5.937 1.00 0.43 O ATOM 0 H GLY A 7 0.767 -5.624 5.057 1.00 0.37 H new ATOM 0 HA2 GLY A 7 0.618 -3.602 6.585 1.00 0.43 H new ATOM 0 HA3 GLY A 7 1.936 -4.303 7.502 1.00 0.43 H new ATOM 89 N GLY A 8 2.137 -3.349 4.319 1.00 0.29 N ATOM 90 CA GLY A 8 3.079 -2.694 3.352 1.00 0.26 C ATOM 91 C GLY A 8 2.743 -1.204 3.244 1.00 0.23 C ATOM 92 O GLY A 8 1.632 -0.794 3.515 1.00 0.25 O ATOM 0 H GLY A 8 1.221 -3.588 3.938 1.00 0.29 H new ATOM 0 HA2 GLY A 8 4.108 -2.823 3.687 1.00 0.26 H new ATOM 0 HA3 GLY A 8 3.000 -3.168 2.373 1.00 0.26 H new ATOM 96 N ARG A 9 3.683 -0.388 2.848 1.00 0.27 N ATOM 97 CA ARG A 9 3.399 1.078 2.728 1.00 0.27 C ATOM 98 C ARG A 9 3.346 1.505 1.251 1.00 0.25 C ATOM 99 O ARG A 9 4.224 1.186 0.473 1.00 0.30 O ATOM 100 CB ARG A 9 4.568 1.754 3.459 1.00 0.32 C ATOM 101 CG ARG A 9 4.642 3.243 3.095 1.00 0.30 C ATOM 102 CD ARG A 9 3.566 4.020 3.855 1.00 0.33 C ATOM 103 NE ARG A 9 4.034 5.438 3.822 1.00 0.33 N ATOM 104 CZ ARG A 9 3.641 6.234 2.876 1.00 0.31 C ATOM 105 NH1 ARG A 9 4.215 6.195 1.719 1.00 0.39 N ATOM 106 NH2 ARG A 9 2.683 7.073 3.091 1.00 0.46 N ATOM 0 H ARG A 9 4.633 -0.668 2.603 1.00 0.27 H new ATOM 0 HA ARG A 9 2.434 1.353 3.153 1.00 0.27 H new ATOM 0 HB2 ARG A 9 4.444 1.643 4.536 1.00 0.32 H new ATOM 0 HB3 ARG A 9 5.504 1.262 3.194 1.00 0.32 H new ATOM 0 HG2 ARG A 9 5.628 3.637 3.340 1.00 0.30 H new ATOM 0 HG3 ARG A 9 4.505 3.371 2.021 1.00 0.30 H new ATOM 0 HD2 ARG A 9 2.590 3.913 3.381 1.00 0.33 H new ATOM 0 HD3 ARG A 9 3.465 3.659 4.879 1.00 0.33 H new ATOM 0 HE ARG A 9 4.665 5.782 4.546 1.00 0.33 H new ATOM 0 HH11 ARG A 9 4.977 5.538 1.550 1.00 0.39 H new ATOM 0 HH12 ARG A 9 3.906 6.821 0.975 1.00 0.39 H new ATOM 0 HH21 ARG A 9 2.234 7.111 4.006 1.00 0.46 H new ATOM 0 HH22 ARG A 9 2.376 7.698 2.346 1.00 0.46 H new ATOM 120 N CYS A 10 2.328 2.239 0.863 1.00 0.23 N ATOM 121 CA CYS A 10 2.236 2.698 -0.563 1.00 0.23 C ATOM 122 C CYS A 10 1.677 4.123 -0.645 1.00 0.21 C ATOM 123 O CYS A 10 1.262 4.701 0.342 1.00 0.27 O ATOM 124 CB CYS A 10 1.302 1.713 -1.282 1.00 0.28 C ATOM 125 SG CYS A 10 -0.155 1.345 -0.268 1.00 0.30 S ATOM 0 H CYS A 10 1.562 2.538 1.466 1.00 0.23 H new ATOM 0 HA CYS A 10 3.222 2.717 -1.027 1.00 0.23 H new ATOM 0 HB2 CYS A 10 0.988 2.134 -2.237 1.00 0.28 H new ATOM 0 HB3 CYS A 10 1.839 0.791 -1.502 1.00 0.28 H new ATOM 130 N ASN A 11 1.669 4.689 -1.825 1.00 0.25 N ATOM 131 CA ASN A 11 1.144 6.078 -1.998 1.00 0.27 C ATOM 132 C ASN A 11 0.476 6.232 -3.373 1.00 0.33 C ATOM 133 O ASN A 11 1.133 6.437 -4.376 1.00 0.50 O ATOM 134 CB ASN A 11 2.374 6.989 -1.886 1.00 0.30 C ATOM 135 CG ASN A 11 2.207 7.920 -0.686 1.00 0.35 C ATOM 136 OD1 ASN A 11 2.808 7.707 0.349 1.00 0.42 O ATOM 137 ND2 ASN A 11 1.416 8.948 -0.775 1.00 0.41 N ATOM 0 H ASN A 11 2.005 4.247 -2.680 1.00 0.25 H new ATOM 0 HA ASN A 11 0.387 6.326 -1.254 1.00 0.27 H new ATOM 0 HB2 ASN A 11 3.276 6.388 -1.772 1.00 0.30 H new ATOM 0 HB3 ASN A 11 2.493 7.572 -2.799 1.00 0.30 H new ATOM 0 HD21 ASN A 11 1.301 9.573 0.022 1.00 0.41 H new ATOM 0 HD22 ASN A 11 0.911 9.129 -1.642 1.00 0.41 H new ATOM 144 N ALA A 12 -0.829 6.145 -3.417 1.00 0.32 N ATOM 145 CA ALA A 12 -1.558 6.293 -4.716 1.00 0.41 C ATOM 146 C ALA A 12 -1.621 7.771 -5.142 1.00 0.46 C ATOM 147 O ALA A 12 -1.990 8.086 -6.255 1.00 0.61 O ATOM 148 CB ALA A 12 -2.962 5.748 -4.440 1.00 0.52 C ATOM 0 H ALA A 12 -1.425 5.977 -2.606 1.00 0.32 H new ATOM 0 HA ALA A 12 -1.062 5.761 -5.528 1.00 0.41 H new ATOM 0 HB1 ALA A 12 -3.565 5.820 -5.345 1.00 0.52 H new ATOM 0 HB2 ALA A 12 -2.893 4.705 -4.132 1.00 0.52 H new ATOM 0 HB3 ALA A 12 -3.429 6.331 -3.646 1.00 0.52 H new ATOM 154 N SER A 13 -1.262 8.675 -4.262 1.00 0.41 N ATOM 155 CA SER A 13 -1.295 10.134 -4.602 1.00 0.49 C ATOM 156 C SER A 13 0.071 10.620 -5.118 1.00 0.54 C ATOM 157 O SER A 13 0.172 11.686 -5.695 1.00 0.82 O ATOM 158 CB SER A 13 -1.643 10.836 -3.284 1.00 0.48 C ATOM 159 OG SER A 13 -0.868 10.272 -2.221 1.00 0.48 O ATOM 0 H SER A 13 -0.945 8.463 -3.316 1.00 0.41 H new ATOM 0 HA SER A 13 -2.014 10.345 -5.393 1.00 0.49 H new ATOM 0 HB2 SER A 13 -1.444 11.905 -3.366 1.00 0.48 H new ATOM 0 HB3 SER A 13 -2.706 10.725 -3.071 1.00 0.48 H new ATOM 0 HG SER A 13 -0.528 10.990 -1.648 1.00 0.48 H new ATOM 165 N ALA A 14 1.121 9.856 -4.913 1.00 0.48 N ATOM 166 CA ALA A 14 2.473 10.292 -5.387 1.00 0.58 C ATOM 167 C ALA A 14 3.089 9.254 -6.344 1.00 0.66 C ATOM 168 O ALA A 14 4.279 9.005 -6.317 1.00 1.03 O ATOM 169 CB ALA A 14 3.306 10.416 -4.108 1.00 0.61 C ATOM 0 H ALA A 14 1.099 8.953 -4.439 1.00 0.48 H new ATOM 0 HA ALA A 14 2.430 11.226 -5.947 1.00 0.58 H new ATOM 0 HB1 ALA A 14 4.318 10.733 -4.362 1.00 0.61 H new ATOM 0 HB2 ALA A 14 2.850 11.153 -3.447 1.00 0.61 H new ATOM 0 HB3 ALA A 14 3.344 9.450 -3.604 1.00 0.61 H new ATOM 175 N GLY A 15 2.291 8.657 -7.197 1.00 0.69 N ATOM 176 CA GLY A 15 2.837 7.647 -8.160 1.00 0.76 C ATOM 177 C GLY A 15 2.915 6.269 -7.492 1.00 0.61 C ATOM 178 O GLY A 15 3.978 5.849 -7.080 1.00 0.59 O ATOM 0 H GLY A 15 1.287 8.825 -7.268 1.00 0.69 H new ATOM 0 HA2 GLY A 15 2.201 7.596 -9.044 1.00 0.76 H new ATOM 0 HA3 GLY A 15 3.827 7.953 -8.497 1.00 0.76 H new ATOM 182 N PRO A 16 1.784 5.605 -7.407 1.00 0.62 N ATOM 183 CA PRO A 16 1.729 4.256 -6.784 1.00 0.55 C ATOM 184 C PRO A 16 2.492 3.219 -7.629 1.00 0.44 C ATOM 185 O PRO A 16 2.053 2.857 -8.706 1.00 0.52 O ATOM 186 CB PRO A 16 0.234 3.938 -6.743 1.00 0.74 C ATOM 187 CG PRO A 16 -0.359 4.782 -7.822 1.00 0.87 C ATOM 188 CD PRO A 16 0.465 6.039 -7.871 1.00 0.81 C ATOM 0 HA PRO A 16 2.195 4.229 -5.799 1.00 0.55 H new ATOM 0 HB2 PRO A 16 0.049 2.879 -6.921 1.00 0.74 H new ATOM 0 HB3 PRO A 16 -0.196 4.178 -5.770 1.00 0.74 H new ATOM 0 HG2 PRO A 16 -0.335 4.263 -8.780 1.00 0.87 H new ATOM 0 HG3 PRO A 16 -1.404 5.009 -7.609 1.00 0.87 H new ATOM 0 HD2 PRO A 16 0.510 6.450 -8.880 1.00 0.81 H new ATOM 0 HD3 PRO A 16 0.050 6.816 -7.229 1.00 0.81 H new ATOM 196 N PRO A 17 3.615 2.764 -7.109 1.00 0.36 N ATOM 197 CA PRO A 17 4.428 1.757 -7.834 1.00 0.34 C ATOM 198 C PRO A 17 3.783 0.363 -7.729 1.00 0.28 C ATOM 199 O PRO A 17 3.137 -0.096 -8.651 1.00 0.35 O ATOM 200 CB PRO A 17 5.785 1.816 -7.126 1.00 0.46 C ATOM 201 CG PRO A 17 5.500 2.346 -5.752 1.00 0.49 C ATOM 202 CD PRO A 17 4.219 3.142 -5.823 1.00 0.46 C ATOM 0 HA PRO A 17 4.513 1.954 -8.903 1.00 0.34 H new ATOM 0 HB2 PRO A 17 6.245 0.829 -7.078 1.00 0.46 H new ATOM 0 HB3 PRO A 17 6.478 2.465 -7.661 1.00 0.46 H new ATOM 0 HG2 PRO A 17 5.402 1.527 -5.039 1.00 0.49 H new ATOM 0 HG3 PRO A 17 6.321 2.974 -5.406 1.00 0.49 H new ATOM 0 HD2 PRO A 17 3.558 2.903 -4.990 1.00 0.46 H new ATOM 0 HD3 PRO A 17 4.415 4.213 -5.777 1.00 0.46 H new ATOM 210 N TYR A 18 3.943 -0.313 -6.617 1.00 0.26 N ATOM 211 CA TYR A 18 3.331 -1.671 -6.463 1.00 0.27 C ATOM 212 C TYR A 18 3.440 -2.147 -5.005 1.00 0.22 C ATOM 213 O TYR A 18 4.453 -1.969 -4.356 1.00 0.26 O ATOM 214 CB TYR A 18 4.125 -2.591 -7.410 1.00 0.37 C ATOM 215 CG TYR A 18 5.521 -2.816 -6.877 1.00 0.43 C ATOM 216 CD1 TYR A 18 6.540 -1.903 -7.173 1.00 0.53 C ATOM 217 CD2 TYR A 18 5.791 -3.934 -6.080 1.00 0.59 C ATOM 218 CE1 TYR A 18 7.830 -2.108 -6.670 1.00 0.72 C ATOM 219 CE2 TYR A 18 7.083 -4.140 -5.579 1.00 0.75 C ATOM 220 CZ TYR A 18 8.101 -3.226 -5.874 1.00 0.79 C ATOM 221 OH TYR A 18 9.372 -3.425 -5.374 1.00 1.01 O ATOM 0 H TYR A 18 4.471 0.017 -5.809 1.00 0.26 H new ATOM 0 HA TYR A 18 2.269 -1.671 -6.709 1.00 0.27 H new ATOM 0 HB2 TYR A 18 3.611 -3.546 -7.515 1.00 0.37 H new ATOM 0 HB3 TYR A 18 4.175 -2.145 -8.403 1.00 0.37 H new ATOM 0 HD1 TYR A 18 6.331 -1.041 -7.789 1.00 0.53 H new ATOM 0 HD2 TYR A 18 5.004 -4.637 -5.851 1.00 0.59 H new ATOM 0 HE1 TYR A 18 8.616 -1.403 -6.896 1.00 0.72 H new ATOM 0 HE2 TYR A 18 7.293 -5.004 -4.966 1.00 0.75 H new ATOM 0 HH TYR A 18 9.367 -4.192 -4.764 1.00 1.01 H new ATOM 231 N CYS A 19 2.406 -2.754 -4.483 1.00 0.20 N ATOM 232 CA CYS A 19 2.469 -3.251 -3.072 1.00 0.17 C ATOM 233 C CYS A 19 2.956 -4.706 -3.051 1.00 0.16 C ATOM 234 O CYS A 19 3.260 -5.279 -4.076 1.00 0.20 O ATOM 235 CB CYS A 19 1.046 -3.141 -2.528 1.00 0.18 C ATOM 236 SG CYS A 19 0.773 -1.460 -1.916 1.00 0.22 S ATOM 0 H CYS A 19 1.525 -2.927 -4.967 1.00 0.20 H new ATOM 0 HA CYS A 19 3.166 -2.673 -2.464 1.00 0.17 H new ATOM 0 HB2 CYS A 19 0.325 -3.378 -3.311 1.00 0.18 H new ATOM 0 HB3 CYS A 19 0.894 -3.863 -1.725 1.00 0.18 H new ATOM 241 N CYS A 20 3.038 -5.307 -1.893 1.00 0.16 N ATOM 242 CA CYS A 20 3.518 -6.728 -1.811 1.00 0.17 C ATOM 243 C CYS A 20 2.442 -7.715 -2.284 1.00 0.16 C ATOM 244 O CYS A 20 2.746 -8.761 -2.832 1.00 0.21 O ATOM 245 CB CYS A 20 3.816 -6.945 -0.336 1.00 0.21 C ATOM 246 SG CYS A 20 5.160 -8.144 -0.151 1.00 0.28 S ATOM 0 H CYS A 20 2.795 -4.880 -0.999 1.00 0.16 H new ATOM 0 HA CYS A 20 4.385 -6.896 -2.450 1.00 0.17 H new ATOM 0 HB2 CYS A 20 4.093 -6.000 0.131 1.00 0.21 H new ATOM 0 HB3 CYS A 20 2.923 -7.304 0.176 1.00 0.21 H new ATOM 251 N SER A 21 1.193 -7.410 -2.063 1.00 0.16 N ATOM 252 CA SER A 21 0.107 -8.351 -2.503 1.00 0.18 C ATOM 253 C SER A 21 -0.894 -7.660 -3.440 1.00 0.18 C ATOM 254 O SER A 21 -2.045 -8.041 -3.513 1.00 0.24 O ATOM 255 CB SER A 21 -0.573 -8.814 -1.220 1.00 0.21 C ATOM 256 OG SER A 21 -0.197 -10.166 -0.968 1.00 0.28 O ATOM 0 H SER A 21 0.872 -6.559 -1.601 1.00 0.16 H new ATOM 0 HA SER A 21 0.514 -9.188 -3.071 1.00 0.18 H new ATOM 0 HB2 SER A 21 -0.279 -8.178 -0.385 1.00 0.21 H new ATOM 0 HB3 SER A 21 -1.656 -8.734 -1.316 1.00 0.21 H new ATOM 0 HG SER A 21 -0.999 -10.701 -0.792 1.00 0.28 H new ATOM 262 N SER A 22 -0.448 -6.655 -4.162 1.00 0.17 N ATOM 263 CA SER A 22 -1.327 -5.915 -5.132 1.00 0.19 C ATOM 264 C SER A 22 -2.379 -5.040 -4.431 1.00 0.19 C ATOM 265 O SER A 22 -3.109 -4.314 -5.087 1.00 0.23 O ATOM 266 CB SER A 22 -2.001 -6.989 -5.991 1.00 0.21 C ATOM 267 OG SER A 22 -2.738 -6.357 -7.038 1.00 0.31 O ATOM 0 H SER A 22 0.510 -6.309 -4.119 1.00 0.17 H new ATOM 0 HA SER A 22 -0.730 -5.225 -5.729 1.00 0.19 H new ATOM 0 HB2 SER A 22 -1.251 -7.659 -6.411 1.00 0.21 H new ATOM 0 HB3 SER A 22 -2.666 -7.598 -5.378 1.00 0.21 H new ATOM 0 HG SER A 22 -2.872 -6.991 -7.773 1.00 0.31 H new ATOM 273 N TYR A 23 -2.476 -5.074 -3.122 1.00 0.17 N ATOM 274 CA TYR A 23 -3.495 -4.205 -2.451 1.00 0.19 C ATOM 275 C TYR A 23 -2.825 -3.010 -1.770 1.00 0.18 C ATOM 276 O TYR A 23 -1.709 -3.092 -1.291 1.00 0.19 O ATOM 277 CB TYR A 23 -4.177 -5.076 -1.405 1.00 0.24 C ATOM 278 CG TYR A 23 -5.449 -4.406 -0.939 1.00 0.28 C ATOM 279 CD1 TYR A 23 -6.639 -4.575 -1.655 1.00 0.51 C ATOM 280 CD2 TYR A 23 -5.435 -3.616 0.217 1.00 0.30 C ATOM 281 CE1 TYR A 23 -7.814 -3.953 -1.215 1.00 0.57 C ATOM 282 CE2 TYR A 23 -6.609 -2.996 0.656 1.00 0.34 C ATOM 283 CZ TYR A 23 -7.797 -3.165 -0.059 1.00 0.42 C ATOM 284 OH TYR A 23 -8.954 -2.556 0.377 1.00 0.51 O ATOM 0 H TYR A 23 -1.908 -5.651 -2.502 1.00 0.17 H new ATOM 0 HA TYR A 23 -4.206 -3.811 -3.177 1.00 0.19 H new ATOM 0 HB2 TYR A 23 -4.403 -6.056 -1.825 1.00 0.24 H new ATOM 0 HB3 TYR A 23 -3.508 -5.238 -0.560 1.00 0.24 H new ATOM 0 HD1 TYR A 23 -6.651 -5.185 -2.546 1.00 0.51 H new ATOM 0 HD2 TYR A 23 -4.517 -3.485 0.770 1.00 0.30 H new ATOM 0 HE1 TYR A 23 -8.733 -4.082 -1.768 1.00 0.57 H new ATOM 0 HE2 TYR A 23 -6.597 -2.387 1.548 1.00 0.34 H new ATOM 0 HH TYR A 23 -8.787 -2.113 1.235 1.00 0.51 H new ATOM 294 N CYS A 24 -3.526 -1.914 -1.710 1.00 0.18 N ATOM 295 CA CYS A 24 -2.993 -0.682 -1.043 1.00 0.19 C ATOM 296 C CYS A 24 -4.165 0.158 -0.512 1.00 0.20 C ATOM 297 O CYS A 24 -4.997 0.620 -1.270 1.00 0.31 O ATOM 298 CB CYS A 24 -2.223 0.085 -2.125 1.00 0.21 C ATOM 299 SG CYS A 24 -1.725 1.712 -1.491 1.00 0.28 S ATOM 0 H CYS A 24 -4.463 -1.813 -2.100 1.00 0.18 H new ATOM 0 HA CYS A 24 -2.346 -0.918 -0.198 1.00 0.19 H new ATOM 0 HB2 CYS A 24 -1.343 -0.482 -2.429 1.00 0.21 H new ATOM 0 HB3 CYS A 24 -2.846 0.205 -3.011 1.00 0.21 H new ATOM 304 N PHE A 25 -4.243 0.340 0.776 1.00 0.20 N ATOM 305 CA PHE A 25 -5.361 1.128 1.375 1.00 0.23 C ATOM 306 C PHE A 25 -4.879 2.532 1.744 1.00 0.20 C ATOM 307 O PHE A 25 -4.107 2.699 2.669 1.00 0.24 O ATOM 308 CB PHE A 25 -5.718 0.354 2.639 1.00 0.29 C ATOM 309 CG PHE A 25 -7.195 0.487 2.928 1.00 0.37 C ATOM 310 CD1 PHE A 25 -8.131 -0.199 2.143 1.00 0.43 C ATOM 311 CD2 PHE A 25 -7.629 1.294 3.985 1.00 0.56 C ATOM 312 CE1 PHE A 25 -9.498 -0.075 2.416 1.00 0.50 C ATOM 313 CE2 PHE A 25 -8.996 1.417 4.258 1.00 0.65 C ATOM 314 CZ PHE A 25 -9.931 0.732 3.474 1.00 0.55 C ATOM 0 H PHE A 25 -3.572 -0.028 1.450 1.00 0.20 H new ATOM 0 HA PHE A 25 -6.204 1.247 0.695 1.00 0.23 H new ATOM 0 HB2 PHE A 25 -5.456 -0.697 2.518 1.00 0.29 H new ATOM 0 HB3 PHE A 25 -5.139 0.731 3.482 1.00 0.29 H new ATOM 0 HD1 PHE A 25 -7.798 -0.823 1.327 1.00 0.43 H new ATOM 0 HD2 PHE A 25 -6.908 1.823 4.591 1.00 0.56 H new ATOM 0 HE1 PHE A 25 -10.219 -0.603 1.810 1.00 0.50 H new ATOM 0 HE2 PHE A 25 -9.329 2.041 5.074 1.00 0.65 H new ATOM 0 HZ PHE A 25 -10.986 0.826 3.685 1.00 0.55 H new ATOM 324 N GLN A 26 -5.322 3.534 1.041 1.00 0.21 N ATOM 325 CA GLN A 26 -4.882 4.925 1.365 1.00 0.22 C ATOM 326 C GLN A 26 -6.102 5.830 1.588 1.00 0.27 C ATOM 327 O GLN A 26 -7.150 5.633 1.003 1.00 0.32 O ATOM 328 CB GLN A 26 -4.067 5.368 0.151 1.00 0.28 C ATOM 329 CG GLN A 26 -3.825 6.877 0.241 1.00 0.33 C ATOM 330 CD GLN A 26 -2.627 7.290 -0.622 1.00 0.44 C ATOM 331 OE1 GLN A 26 -1.853 6.462 -1.063 1.00 0.52 O ATOM 332 NE2 GLN A 26 -2.442 8.553 -0.882 1.00 0.66 N ATOM 0 H GLN A 26 -5.969 3.454 0.256 1.00 0.21 H new ATOM 0 HA GLN A 26 -4.294 4.979 2.281 1.00 0.22 H new ATOM 0 HB2 GLN A 26 -3.117 4.835 0.120 1.00 0.28 H new ATOM 0 HB3 GLN A 26 -4.599 5.126 -0.769 1.00 0.28 H new ATOM 0 HG2 GLN A 26 -4.716 7.413 -0.086 1.00 0.33 H new ATOM 0 HG3 GLN A 26 -3.646 7.160 1.278 1.00 0.33 H new ATOM 0 HE21 GLN A 26 -3.089 9.250 -0.514 1.00 0.66 H new ATOM 0 HE22 GLN A 26 -1.650 8.845 -1.454 1.00 0.66 H new ATOM 341 N ILE A 27 -5.967 6.821 2.436 1.00 0.32 N ATOM 342 CA ILE A 27 -7.122 7.742 2.703 1.00 0.42 C ATOM 343 C ILE A 27 -6.757 9.190 2.343 1.00 0.50 C ATOM 344 O ILE A 27 -5.599 9.530 2.168 1.00 0.47 O ATOM 345 CB ILE A 27 -7.472 7.642 4.204 1.00 0.50 C ATOM 346 CG1 ILE A 27 -6.441 6.806 4.998 1.00 0.61 C ATOM 347 CG2 ILE A 27 -8.867 7.022 4.360 1.00 0.60 C ATOM 348 CD1 ILE A 27 -6.694 5.304 4.809 1.00 0.72 C ATOM 0 H ILE A 27 -5.114 7.033 2.953 1.00 0.32 H new ATOM 0 HA ILE A 27 -7.976 7.453 2.091 1.00 0.42 H new ATOM 0 HB ILE A 27 -7.454 8.652 4.614 1.00 0.50 H new ATOM 0 HG12 ILE A 27 -5.433 7.054 4.666 1.00 0.61 H new ATOM 0 HG13 ILE A 27 -6.499 7.059 6.057 1.00 0.61 H new ATOM 0 HG21 ILE A 27 -9.117 6.950 5.419 1.00 0.60 H new ATOM 0 HG22 ILE A 27 -9.602 7.649 3.855 1.00 0.60 H new ATOM 0 HG23 ILE A 27 -8.874 6.026 3.917 1.00 0.60 H new ATOM 0 HD11 ILE A 27 -5.957 4.737 5.377 1.00 0.72 H new ATOM 0 HD12 ILE A 27 -7.694 5.056 5.164 1.00 0.72 H new ATOM 0 HD13 ILE A 27 -6.611 5.051 3.752 1.00 0.72 H new ATOM 360 N ALA A 28 -7.746 10.042 2.231 1.00 0.64 N ATOM 361 CA ALA A 28 -7.480 11.472 1.877 1.00 0.75 C ATOM 362 C ALA A 28 -7.203 12.303 3.142 1.00 0.80 C ATOM 363 O ALA A 28 -8.104 12.835 3.765 1.00 1.24 O ATOM 364 CB ALA A 28 -8.756 11.947 1.171 1.00 0.94 C ATOM 0 H ALA A 28 -8.729 9.809 2.370 1.00 0.64 H new ATOM 0 HA ALA A 28 -6.601 11.584 1.243 1.00 0.75 H new ATOM 0 HB1 ALA A 28 -8.643 12.991 0.878 1.00 0.94 H new ATOM 0 HB2 ALA A 28 -8.929 11.338 0.284 1.00 0.94 H new ATOM 0 HB3 ALA A 28 -9.604 11.851 1.849 1.00 0.94 H new ATOM 370 N GLY A 29 -5.954 12.413 3.520 1.00 0.67 N ATOM 371 CA GLY A 29 -5.591 13.205 4.740 1.00 0.73 C ATOM 372 C GLY A 29 -4.096 13.540 4.708 1.00 0.56 C ATOM 373 O GLY A 29 -3.712 14.678 4.526 1.00 0.67 O ATOM 0 H GLY A 29 -5.165 11.987 3.035 1.00 0.67 H new ATOM 0 HA2 GLY A 29 -6.179 14.122 4.779 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -5.828 12.636 5.639 1.00 0.73 H new ATOM 377 N GLN A 30 -3.254 12.552 4.880 1.00 0.40 N ATOM 378 CA GLN A 30 -1.778 12.798 4.858 1.00 0.38 C ATOM 379 C GLN A 30 -1.126 12.169 3.608 1.00 0.32 C ATOM 380 O GLN A 30 0.083 12.168 3.473 1.00 0.42 O ATOM 381 CB GLN A 30 -1.262 12.116 6.126 1.00 0.49 C ATOM 382 CG GLN A 30 -1.307 13.104 7.301 1.00 0.64 C ATOM 383 CD GLN A 30 -2.429 12.715 8.276 1.00 0.85 C ATOM 384 OE1 GLN A 30 -3.269 11.894 7.966 1.00 1.04 O ATOM 385 NE2 GLN A 30 -2.480 13.275 9.449 1.00 1.18 N ATOM 0 H GLN A 30 -3.526 11.581 5.035 1.00 0.40 H new ATOM 0 HA GLN A 30 -1.541 13.861 4.822 1.00 0.38 H new ATOM 0 HB2 GLN A 30 -1.870 11.240 6.352 1.00 0.49 H new ATOM 0 HB3 GLN A 30 -0.241 11.765 5.972 1.00 0.49 H new ATOM 0 HG2 GLN A 30 -0.349 13.107 7.820 1.00 0.64 H new ATOM 0 HG3 GLN A 30 -1.472 14.115 6.930 1.00 0.64 H new ATOM 0 HE21 GLN A 30 -1.778 13.965 9.716 1.00 1.18 H new ATOM 0 HE22 GLN A 30 -3.222 13.024 10.102 1.00 1.18 H new ATOM 394 N SER A 31 -1.916 11.621 2.706 1.00 0.28 N ATOM 395 CA SER A 31 -1.355 10.975 1.471 1.00 0.33 C ATOM 396 C SER A 31 -0.580 9.712 1.861 1.00 0.30 C ATOM 397 O SER A 31 0.598 9.575 1.587 1.00 0.39 O ATOM 398 CB SER A 31 -0.432 12.015 0.824 1.00 0.44 C ATOM 399 OG SER A 31 -0.594 11.973 -0.594 1.00 0.60 O ATOM 0 H SER A 31 -2.933 11.595 2.775 1.00 0.28 H new ATOM 0 HA SER A 31 -2.137 10.673 0.774 1.00 0.33 H new ATOM 0 HB2 SER A 31 -0.668 13.011 1.199 1.00 0.44 H new ATOM 0 HB3 SER A 31 0.606 11.812 1.089 1.00 0.44 H new ATOM 0 HG SER A 31 -0.006 12.637 -1.010 1.00 0.60 H new ATOM 405 N TYR A 32 -1.241 8.789 2.512 1.00 0.24 N ATOM 406 CA TYR A 32 -0.554 7.530 2.933 1.00 0.24 C ATOM 407 C TYR A 32 -1.444 6.303 2.687 1.00 0.21 C ATOM 408 O TYR A 32 -2.632 6.314 2.962 1.00 0.25 O ATOM 409 CB TYR A 32 -0.247 7.712 4.428 1.00 0.28 C ATOM 410 CG TYR A 32 -1.518 7.707 5.249 1.00 0.29 C ATOM 411 CD1 TYR A 32 -2.235 8.892 5.440 1.00 0.40 C ATOM 412 CD2 TYR A 32 -1.964 6.517 5.839 1.00 0.41 C ATOM 413 CE1 TYR A 32 -3.397 8.889 6.220 1.00 0.50 C ATOM 414 CE2 TYR A 32 -3.130 6.515 6.615 1.00 0.51 C ATOM 415 CZ TYR A 32 -3.844 7.701 6.805 1.00 0.51 C ATOM 416 OH TYR A 32 -4.988 7.699 7.575 1.00 0.66 O ATOM 0 H TYR A 32 -2.226 8.852 2.770 1.00 0.24 H new ATOM 0 HA TYR A 32 0.355 7.355 2.358 1.00 0.24 H new ATOM 0 HB2 TYR A 32 0.412 6.913 4.767 1.00 0.28 H new ATOM 0 HB3 TYR A 32 0.285 8.651 4.582 1.00 0.28 H new ATOM 0 HD1 TYR A 32 -1.892 9.810 4.986 1.00 0.40 H new ATOM 0 HD2 TYR A 32 -1.409 5.602 5.695 1.00 0.41 H new ATOM 0 HE1 TYR A 32 -3.949 9.805 6.370 1.00 0.50 H new ATOM 0 HE2 TYR A 32 -3.477 5.597 7.066 1.00 0.51 H new ATOM 0 HH TYR A 32 -5.158 6.792 7.905 1.00 0.66 H new ATOM 426 N GLY A 33 -0.870 5.248 2.161 1.00 0.24 N ATOM 427 CA GLY A 33 -1.665 4.014 1.889 1.00 0.24 C ATOM 428 C GLY A 33 -0.958 2.791 2.478 1.00 0.22 C ATOM 429 O GLY A 33 0.257 2.758 2.592 1.00 0.25 O ATOM 0 H GLY A 33 0.117 5.190 1.909 1.00 0.24 H new ATOM 0 HA2 GLY A 33 -2.661 4.111 2.321 1.00 0.24 H new ATOM 0 HA3 GLY A 33 -1.795 3.886 0.814 1.00 0.24 H new ATOM 433 N VAL A 34 -1.705 1.779 2.837 1.00 0.21 N ATOM 434 CA VAL A 34 -1.070 0.545 3.407 1.00 0.22 C ATOM 435 C VAL A 34 -1.365 -0.648 2.495 1.00 0.20 C ATOM 436 O VAL A 34 -2.464 -0.808 2.004 1.00 0.22 O ATOM 437 CB VAL A 34 -1.680 0.350 4.806 1.00 0.28 C ATOM 438 CG1 VAL A 34 -1.355 1.564 5.681 1.00 0.39 C ATOM 439 CG2 VAL A 34 -3.200 0.196 4.709 1.00 0.31 C ATOM 0 H VAL A 34 -2.722 1.750 2.762 1.00 0.21 H new ATOM 0 HA VAL A 34 0.014 0.635 3.478 1.00 0.22 H new ATOM 0 HB VAL A 34 -1.257 -0.552 5.248 1.00 0.28 H new ATOM 0 HG11 VAL A 34 -1.788 1.425 6.672 1.00 0.39 H new ATOM 0 HG12 VAL A 34 -0.274 1.670 5.769 1.00 0.39 H new ATOM 0 HG13 VAL A 34 -1.772 2.462 5.226 1.00 0.39 H new ATOM 0 HG21 VAL A 34 -3.616 0.059 5.707 1.00 0.31 H new ATOM 0 HG22 VAL A 34 -3.628 1.091 4.257 1.00 0.31 H new ATOM 0 HG23 VAL A 34 -3.439 -0.671 4.094 1.00 0.31 H new ATOM 449 N CYS A 35 -0.395 -1.478 2.239 1.00 0.19 N ATOM 450 CA CYS A 35 -0.637 -2.632 1.328 1.00 0.18 C ATOM 451 C CYS A 35 -1.153 -3.845 2.086 1.00 0.17 C ATOM 452 O CYS A 35 -0.878 -4.041 3.256 1.00 0.21 O ATOM 453 CB CYS A 35 0.702 -2.978 0.700 1.00 0.19 C ATOM 454 SG CYS A 35 1.462 -1.500 -0.017 1.00 0.23 S ATOM 0 H CYS A 35 0.550 -1.410 2.618 1.00 0.19 H new ATOM 0 HA CYS A 35 -1.388 -2.364 0.585 1.00 0.18 H new ATOM 0 HB2 CYS A 35 1.364 -3.407 1.452 1.00 0.19 H new ATOM 0 HB3 CYS A 35 0.564 -3.735 -0.072 1.00 0.19 H new ATOM 459 N LYS A 36 -1.887 -4.662 1.397 1.00 0.17 N ATOM 460 CA LYS A 36 -2.448 -5.898 2.017 1.00 0.19 C ATOM 461 C LYS A 36 -2.648 -7.003 0.963 1.00 0.20 C ATOM 462 O LYS A 36 -2.248 -6.865 -0.189 1.00 0.21 O ATOM 463 CB LYS A 36 -3.782 -5.456 2.612 1.00 0.23 C ATOM 464 CG LYS A 36 -3.686 -5.425 4.142 1.00 0.28 C ATOM 465 CD LYS A 36 -3.976 -6.819 4.717 1.00 0.30 C ATOM 466 CE LYS A 36 -2.715 -7.372 5.392 1.00 0.36 C ATOM 467 NZ LYS A 36 -2.961 -8.837 5.532 1.00 0.35 N ATOM 0 H LYS A 36 -2.129 -4.529 0.415 1.00 0.17 H new ATOM 0 HA LYS A 36 -1.783 -6.322 2.769 1.00 0.19 H new ATOM 0 HB2 LYS A 36 -4.049 -4.468 2.236 1.00 0.23 H new ATOM 0 HB3 LYS A 36 -4.573 -6.139 2.302 1.00 0.23 H new ATOM 0 HG2 LYS A 36 -2.692 -5.098 4.445 1.00 0.28 H new ATOM 0 HG3 LYS A 36 -4.396 -4.702 4.544 1.00 0.28 H new ATOM 0 HD2 LYS A 36 -4.791 -6.763 5.438 1.00 0.30 H new ATOM 0 HD3 LYS A 36 -4.299 -7.491 3.922 1.00 0.30 H new ATOM 0 HE2 LYS A 36 -1.828 -7.177 4.790 1.00 0.36 H new ATOM 0 HE3 LYS A 36 -2.550 -6.905 6.363 1.00 0.36 H new ATOM 0 HZ1 LYS A 36 -2.233 -9.254 6.147 1.00 0.35 H new ATOM 0 HZ2 LYS A 36 -3.900 -8.993 5.952 1.00 0.35 H new ATOM 0 HZ3 LYS A 36 -2.922 -9.287 4.595 1.00 0.35 H new ATOM 481 N ASN A 37 -3.268 -8.093 1.358 1.00 0.24 N ATOM 482 CA ASN A 37 -3.519 -9.233 0.417 1.00 0.29 C ATOM 483 C ASN A 37 -4.690 -8.910 -0.530 1.00 0.36 C ATOM 484 O ASN A 37 -5.141 -7.783 -0.615 1.00 0.70 O ATOM 485 CB ASN A 37 -3.878 -10.426 1.320 1.00 0.35 C ATOM 486 CG ASN A 37 -2.821 -10.605 2.414 1.00 0.40 C ATOM 487 OD1 ASN A 37 -2.805 -9.871 3.383 1.00 0.42 O ATOM 488 ND2 ASN A 37 -1.936 -11.552 2.308 1.00 0.56 N ATOM 0 H ASN A 37 -3.615 -8.242 2.306 1.00 0.24 H new ATOM 0 HA ASN A 37 -2.652 -9.437 -0.212 1.00 0.29 H new ATOM 0 HB2 ASN A 37 -4.856 -10.266 1.773 1.00 0.35 H new ATOM 0 HB3 ASN A 37 -3.949 -11.335 0.722 1.00 0.35 H new ATOM 0 HD21 ASN A 37 -1.233 -11.676 3.036 1.00 0.56 H new ATOM 0 HD22 ASN A 37 -1.945 -12.170 1.497 1.00 0.56 H new ATOM 495 N ARG A 38 -5.188 -9.899 -1.230 1.00 0.49 N ATOM 496 CA ARG A 38 -6.327 -9.677 -2.160 1.00 0.57 C ATOM 497 C ARG A 38 -7.157 -10.962 -2.294 1.00 0.92 C ATOM 498 CB ARG A 38 -5.683 -9.301 -3.499 1.00 0.58 C ATOM 499 CG ARG A 38 -6.772 -8.889 -4.498 1.00 0.66 C ATOM 500 CD ARG A 38 -7.179 -7.435 -4.244 1.00 0.59 C ATOM 501 NE ARG A 38 -6.978 -6.745 -5.554 1.00 0.60 N ATOM 502 CZ ARG A 38 -5.822 -6.235 -5.851 1.00 0.53 C ATOM 503 NH1 ARG A 38 -5.496 -5.070 -5.389 1.00 0.55 N ATOM 504 NH2 ARG A 38 -5.009 -6.887 -6.616 1.00 0.54 N ATOM 0 H ARG A 38 -4.847 -10.860 -1.193 1.00 0.49 H new ATOM 0 HA ARG A 38 -7.005 -8.899 -1.808 1.00 0.57 H new ATOM 0 HB2 ARG A 38 -4.977 -8.482 -3.357 1.00 0.58 H new ATOM 0 HB3 ARG A 38 -5.117 -10.146 -3.891 1.00 0.58 H new ATOM 0 HG2 ARG A 38 -6.405 -9.002 -5.518 1.00 0.66 H new ATOM 0 HG3 ARG A 38 -7.638 -9.543 -4.397 1.00 0.66 H new ATOM 0 HD2 ARG A 38 -8.216 -7.367 -3.917 1.00 0.59 H new ATOM 0 HD3 ARG A 38 -6.568 -6.984 -3.462 1.00 0.59 H new ATOM 0 HE ARG A 38 -7.751 -6.675 -6.216 1.00 0.60 H new ATOM 0 HH11 ARG A 38 -6.147 -4.557 -4.794 1.00 0.55 H new ATOM 0 HH12 ARG A 38 -4.589 -4.665 -5.620 1.00 0.55 H new ATOM 0 HH21 ARG A 38 -5.277 -7.800 -6.984 1.00 0.54 H new ATOM 0 HH22 ARG A 38 -4.100 -6.489 -6.851 1.00 0.54 H new TER 518 ARG A 38