USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 259 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN : amide:sc= 0.0304 K(o=0.03,f=-3.4!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.5!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -148:sc= 2.09 (180deg=0.446) USER MOD Single : A 37 SER OG : rot 85:sc= 0.46 USER MOD ----------------------------------------------------------------- ATOM 57 N CYS A 5 3.954 4.933 1.384 1.00 0.36 N ATOM 58 CA CYS A 5 2.975 4.788 2.493 1.00 0.32 C ATOM 59 C CYS A 5 3.678 5.104 3.810 1.00 0.34 C ATOM 60 O CYS A 5 4.141 4.223 4.504 1.00 0.39 O ATOM 61 CB CYS A 5 2.451 3.349 2.524 1.00 0.35 C ATOM 62 SG CYS A 5 1.043 3.238 3.657 1.00 0.40 S ATOM 0 HA CYS A 5 2.139 5.471 2.345 1.00 0.32 H new ATOM 0 HB2 CYS A 5 2.150 3.039 1.523 1.00 0.35 H new ATOM 0 HB3 CYS A 5 3.242 2.670 2.843 1.00 0.35 H new ATOM 67 N GLY A 6 3.773 6.356 4.153 1.00 0.46 N ATOM 68 CA GLY A 6 4.460 6.734 5.418 1.00 0.54 C ATOM 69 C GLY A 6 3.620 6.312 6.627 1.00 0.60 C ATOM 70 O GLY A 6 4.135 6.119 7.708 1.00 0.74 O ATOM 0 H GLY A 6 3.404 7.137 3.611 1.00 0.46 H new ATOM 0 HA2 GLY A 6 5.440 6.258 5.464 1.00 0.54 H new ATOM 0 HA3 GLY A 6 4.627 7.811 5.441 1.00 0.54 H new ATOM 74 N ARG A 7 2.331 6.175 6.462 1.00 0.63 N ATOM 75 CA ARG A 7 1.474 5.775 7.614 1.00 0.76 C ATOM 76 C ARG A 7 1.885 4.387 8.112 1.00 0.70 C ATOM 77 O ARG A 7 2.061 4.171 9.292 1.00 0.82 O ATOM 78 CB ARG A 7 0.009 5.736 7.177 1.00 0.89 C ATOM 79 CG ARG A 7 -0.462 7.149 6.829 1.00 1.07 C ATOM 80 CD ARG A 7 -1.820 7.077 6.127 1.00 1.18 C ATOM 81 NE ARG A 7 -2.607 5.934 6.673 1.00 1.04 N ATOM 82 CZ ARG A 7 -3.051 5.005 5.865 1.00 1.14 C ATOM 83 NH1 ARG A 7 -4.137 5.216 5.163 1.00 1.36 N ATOM 84 NH2 ARG A 7 -2.410 3.869 5.761 1.00 1.32 N ATOM 0 H ARG A 7 1.837 6.322 5.582 1.00 0.63 H new ATOM 0 HA ARG A 7 1.599 6.502 8.417 1.00 0.76 H new ATOM 0 HB2 ARG A 7 -0.106 5.081 6.313 1.00 0.89 H new ATOM 0 HB3 ARG A 7 -0.608 5.323 7.975 1.00 0.89 H new ATOM 0 HG2 ARG A 7 -0.540 7.751 7.734 1.00 1.07 H new ATOM 0 HG3 ARG A 7 0.267 7.638 6.183 1.00 1.07 H new ATOM 0 HD2 ARG A 7 -2.366 8.009 6.273 1.00 1.18 H new ATOM 0 HD3 ARG A 7 -1.679 6.954 5.053 1.00 1.18 H new ATOM 0 HE ARG A 7 -2.799 5.876 7.673 1.00 1.04 H new ATOM 0 HH11 ARG A 7 -4.634 6.103 5.247 1.00 1.36 H new ATOM 0 HH12 ARG A 7 -4.485 4.494 4.533 1.00 1.36 H new ATOM 0 HH21 ARG A 7 -1.565 3.708 6.309 1.00 1.32 H new ATOM 0 HH22 ARG A 7 -2.755 3.144 5.132 1.00 1.32 H new ATOM 98 N ASN A 8 2.029 3.445 7.224 1.00 0.65 N ATOM 99 CA ASN A 8 2.416 2.074 7.657 1.00 0.69 C ATOM 100 C ASN A 8 3.902 1.831 7.375 1.00 0.64 C ATOM 101 O ASN A 8 4.440 0.799 7.721 1.00 0.77 O ATOM 102 CB ASN A 8 1.582 1.046 6.894 1.00 0.76 C ATOM 103 CG ASN A 8 0.102 1.265 7.204 1.00 0.88 C ATOM 104 OD1 ASN A 8 -0.571 2.009 6.514 1.00 0.97 O ATOM 105 ND2 ASN A 8 -0.440 0.650 8.220 1.00 1.08 N ATOM 0 H ASN A 8 1.896 3.564 6.220 1.00 0.65 H new ATOM 0 HA ASN A 8 2.236 1.976 8.727 1.00 0.69 H new ATOM 0 HB2 ASN A 8 1.759 1.141 5.823 1.00 0.76 H new ATOM 0 HB3 ASN A 8 1.879 0.037 7.178 1.00 0.76 H new ATOM 0 HD21 ASN A 8 -1.427 0.793 8.435 1.00 1.08 H new ATOM 0 HD22 ASN A 8 0.123 0.027 8.798 1.00 1.08 H new ATOM 112 N GLY A 9 4.570 2.761 6.750 1.00 0.58 N ATOM 113 CA GLY A 9 6.014 2.559 6.455 1.00 0.58 C ATOM 114 C GLY A 9 6.162 1.547 5.321 1.00 0.54 C ATOM 115 O GLY A 9 6.763 0.505 5.482 1.00 0.79 O ATOM 0 H GLY A 9 4.179 3.648 6.432 1.00 0.58 H new ATOM 0 HA2 GLY A 9 6.475 3.506 6.175 1.00 0.58 H new ATOM 0 HA3 GLY A 9 6.532 2.203 7.345 1.00 0.58 H new ATOM 119 N GLY A 10 5.618 1.844 4.174 1.00 0.37 N ATOM 120 CA GLY A 10 5.727 0.899 3.027 1.00 0.36 C ATOM 121 C GLY A 10 5.552 1.679 1.725 1.00 0.31 C ATOM 122 O GLY A 10 5.599 2.892 1.715 1.00 0.37 O ATOM 0 H GLY A 10 5.101 2.702 3.981 1.00 0.37 H new ATOM 0 HA2 GLY A 10 6.696 0.400 3.040 1.00 0.36 H new ATOM 0 HA3 GLY A 10 4.967 0.121 3.106 1.00 0.36 H new ATOM 126 N VAL A 11 5.347 1.003 0.629 1.00 0.29 N ATOM 127 CA VAL A 11 5.167 1.727 -0.660 1.00 0.28 C ATOM 128 C VAL A 11 3.671 1.886 -0.939 1.00 0.24 C ATOM 129 O VAL A 11 2.842 1.339 -0.238 1.00 0.38 O ATOM 130 CB VAL A 11 5.821 0.937 -1.797 1.00 0.35 C ATOM 131 CG1 VAL A 11 7.298 0.703 -1.473 1.00 0.68 C ATOM 132 CG2 VAL A 11 5.116 -0.412 -1.963 1.00 0.56 C ATOM 0 H VAL A 11 5.296 -0.014 0.570 1.00 0.29 H new ATOM 0 HA VAL A 11 5.637 2.708 -0.595 1.00 0.28 H new ATOM 0 HB VAL A 11 5.736 1.505 -2.724 1.00 0.35 H new ATOM 0 HG11 VAL A 11 7.763 0.141 -2.282 1.00 0.68 H new ATOM 0 HG12 VAL A 11 7.802 1.663 -1.361 1.00 0.68 H new ATOM 0 HG13 VAL A 11 7.382 0.139 -0.544 1.00 0.68 H new ATOM 0 HG21 VAL A 11 5.585 -0.970 -2.773 1.00 0.56 H new ATOM 0 HG22 VAL A 11 5.196 -0.981 -1.037 1.00 0.56 H new ATOM 0 HG23 VAL A 11 4.064 -0.247 -2.198 1.00 0.56 H new ATOM 142 N CYS A 12 3.320 2.628 -1.952 1.00 0.23 N ATOM 143 CA CYS A 12 1.878 2.820 -2.275 1.00 0.24 C ATOM 144 C CYS A 12 1.625 2.440 -3.734 1.00 0.25 C ATOM 145 O CYS A 12 2.059 3.115 -4.645 1.00 0.34 O ATOM 146 CB CYS A 12 1.495 4.285 -2.057 1.00 0.28 C ATOM 147 SG CYS A 12 1.215 4.580 -0.294 1.00 0.35 S ATOM 0 H CYS A 12 3.971 3.111 -2.572 1.00 0.23 H new ATOM 0 HA CYS A 12 1.275 2.186 -1.625 1.00 0.24 H new ATOM 0 HB2 CYS A 12 2.287 4.937 -2.424 1.00 0.28 H new ATOM 0 HB3 CYS A 12 0.596 4.525 -2.624 1.00 0.28 H new ATOM 152 N ILE A 13 0.919 1.369 -3.964 1.00 0.24 N ATOM 153 CA ILE A 13 0.632 0.953 -5.363 1.00 0.26 C ATOM 154 C ILE A 13 -0.775 1.424 -5.743 1.00 0.28 C ATOM 155 O ILE A 13 -1.739 1.071 -5.092 1.00 0.30 O ATOM 156 CB ILE A 13 0.707 -0.572 -5.465 1.00 0.26 C ATOM 157 CG1 ILE A 13 1.780 -1.094 -4.509 1.00 0.34 C ATOM 158 CG2 ILE A 13 1.069 -0.971 -6.897 1.00 0.30 C ATOM 159 CD1 ILE A 13 2.147 -2.528 -4.891 1.00 0.36 C ATOM 0 H ILE A 13 0.528 0.763 -3.242 1.00 0.24 H new ATOM 0 HA ILE A 13 1.363 1.395 -6.039 1.00 0.26 H new ATOM 0 HB ILE A 13 -0.259 -1.001 -5.200 1.00 0.26 H new ATOM 0 HG12 ILE A 13 2.663 -0.457 -4.553 1.00 0.34 H new ATOM 0 HG13 ILE A 13 1.415 -1.062 -3.482 1.00 0.34 H new ATOM 0 HG21 ILE A 13 1.122 -2.057 -6.970 1.00 0.30 H new ATOM 0 HG22 ILE A 13 0.307 -0.599 -7.582 1.00 0.30 H new ATOM 0 HG23 ILE A 13 2.036 -0.542 -7.161 1.00 0.30 H new ATOM 0 HD11 ILE A 13 2.912 -2.901 -4.210 1.00 0.36 H new ATOM 0 HD12 ILE A 13 1.262 -3.160 -4.824 1.00 0.36 H new ATOM 0 HD13 ILE A 13 2.529 -2.546 -5.912 1.00 0.36 H new ATOM 171 N PRO A 14 -0.850 2.213 -6.784 1.00 0.33 N ATOM 172 CA PRO A 14 -2.127 2.763 -7.280 1.00 0.38 C ATOM 173 C PRO A 14 -2.895 1.733 -8.117 1.00 0.37 C ATOM 174 O PRO A 14 -3.515 2.072 -9.103 1.00 0.48 O ATOM 175 CB PRO A 14 -1.689 3.941 -8.154 1.00 0.47 C ATOM 176 CG PRO A 14 -0.224 3.658 -8.570 1.00 0.49 C ATOM 177 CD PRO A 14 0.332 2.636 -7.560 1.00 0.40 C ATOM 0 HA PRO A 14 -2.800 3.048 -6.471 1.00 0.38 H new ATOM 0 HB2 PRO A 14 -2.330 4.033 -9.030 1.00 0.47 H new ATOM 0 HB3 PRO A 14 -1.762 4.880 -7.605 1.00 0.47 H new ATOM 0 HG2 PRO A 14 -0.179 3.263 -9.585 1.00 0.49 H new ATOM 0 HG3 PRO A 14 0.366 4.575 -8.558 1.00 0.49 H new ATOM 0 HD2 PRO A 14 0.800 1.791 -8.065 1.00 0.40 H new ATOM 0 HD3 PRO A 14 1.091 3.083 -6.918 1.00 0.40 H new ATOM 185 N ILE A 15 -2.873 0.485 -7.737 1.00 0.31 N ATOM 186 CA ILE A 15 -3.612 -0.544 -8.516 1.00 0.33 C ATOM 187 C ILE A 15 -3.902 -1.741 -7.608 1.00 0.34 C ATOM 188 O ILE A 15 -4.968 -1.849 -7.033 1.00 0.41 O ATOM 189 CB ILE A 15 -2.773 -0.995 -9.717 1.00 0.36 C ATOM 190 CG1 ILE A 15 -1.323 -0.542 -9.534 1.00 0.39 C ATOM 191 CG2 ILE A 15 -3.336 -0.378 -10.999 1.00 0.47 C ATOM 192 CD1 ILE A 15 -0.441 -1.221 -10.583 1.00 0.58 C ATOM 0 H ILE A 15 -2.374 0.135 -6.919 1.00 0.31 H new ATOM 0 HA ILE A 15 -4.548 -0.123 -8.882 1.00 0.33 H new ATOM 0 HB ILE A 15 -2.808 -2.082 -9.788 1.00 0.36 H new ATOM 0 HG12 ILE A 15 -1.254 0.541 -9.631 1.00 0.39 H new ATOM 0 HG13 ILE A 15 -0.975 -0.795 -8.532 1.00 0.39 H new ATOM 0 HG21 ILE A 15 -2.738 -0.700 -11.851 1.00 0.47 H new ATOM 0 HG22 ILE A 15 -4.367 -0.702 -11.136 1.00 0.47 H new ATOM 0 HG23 ILE A 15 -3.305 0.709 -10.924 1.00 0.47 H new ATOM 0 HD11 ILE A 15 0.592 -0.899 -10.453 1.00 0.58 H new ATOM 0 HD12 ILE A 15 -0.501 -2.303 -10.464 1.00 0.58 H new ATOM 0 HD13 ILE A 15 -0.784 -0.946 -11.580 1.00 0.58 H new ATOM 204 N ARG A 16 -2.963 -2.634 -7.465 1.00 0.30 N ATOM 205 CA ARG A 16 -3.187 -3.815 -6.589 1.00 0.33 C ATOM 206 C ARG A 16 -1.850 -4.255 -6.002 1.00 0.28 C ATOM 207 O ARG A 16 -0.810 -3.750 -6.370 1.00 0.37 O ATOM 208 CB ARG A 16 -3.778 -4.959 -7.416 1.00 0.42 C ATOM 209 CG ARG A 16 -2.967 -5.131 -8.704 1.00 0.48 C ATOM 210 CD ARG A 16 -2.991 -6.599 -9.133 1.00 0.60 C ATOM 211 NE ARG A 16 -2.352 -7.439 -8.080 1.00 0.78 N ATOM 212 CZ ARG A 16 -2.781 -8.660 -7.874 1.00 1.06 C ATOM 213 NH1 ARG A 16 -2.487 -9.608 -8.730 1.00 1.49 N ATOM 214 NH2 ARG A 16 -3.508 -8.927 -6.817 1.00 1.37 N ATOM 0 H ARG A 16 -2.050 -2.596 -7.918 1.00 0.30 H new ATOM 0 HA ARG A 16 -3.878 -3.554 -5.787 1.00 0.33 H new ATOM 0 HB2 ARG A 16 -3.764 -5.884 -6.839 1.00 0.42 H new ATOM 0 HB3 ARG A 16 -4.820 -4.748 -7.655 1.00 0.42 H new ATOM 0 HG2 ARG A 16 -3.382 -4.504 -9.493 1.00 0.48 H new ATOM 0 HG3 ARG A 16 -1.939 -4.805 -8.545 1.00 0.48 H new ATOM 0 HD2 ARG A 16 -4.019 -6.923 -9.297 1.00 0.60 H new ATOM 0 HD3 ARG A 16 -2.463 -6.720 -10.079 1.00 0.60 H new ATOM 0 HE ARG A 16 -1.584 -7.065 -7.522 1.00 0.78 H new ATOM 0 HH11 ARG A 16 -1.925 -9.395 -9.554 1.00 1.49 H new ATOM 0 HH12 ARG A 16 -2.820 -10.559 -8.572 1.00 1.49 H new ATOM 0 HH21 ARG A 16 -3.739 -8.185 -6.156 1.00 1.37 H new ATOM 0 HH22 ARG A 16 -3.843 -9.877 -6.655 1.00 1.37 H new ATOM 228 N CYS A 17 -1.866 -5.194 -5.101 1.00 0.29 N ATOM 229 CA CYS A 17 -0.592 -5.665 -4.499 1.00 0.27 C ATOM 230 C CYS A 17 -0.212 -7.007 -5.127 1.00 0.36 C ATOM 231 O CYS A 17 -0.871 -8.003 -4.902 1.00 0.47 O ATOM 232 CB CYS A 17 -0.772 -5.841 -2.991 1.00 0.34 C ATOM 233 SG CYS A 17 0.785 -5.461 -2.149 1.00 0.31 S ATOM 0 H CYS A 17 -2.707 -5.656 -4.755 1.00 0.29 H new ATOM 0 HA CYS A 17 0.195 -4.934 -4.684 1.00 0.27 H new ATOM 0 HB2 CYS A 17 -1.563 -5.184 -2.629 1.00 0.34 H new ATOM 0 HB3 CYS A 17 -1.079 -6.863 -2.767 1.00 0.34 H new ATOM 238 N PRO A 18 0.835 -6.992 -5.908 1.00 0.47 N ATOM 239 CA PRO A 18 1.330 -8.196 -6.593 1.00 0.62 C ATOM 240 C PRO A 18 2.149 -9.057 -5.628 1.00 0.48 C ATOM 241 O PRO A 18 2.973 -8.560 -4.889 1.00 0.46 O ATOM 242 CB PRO A 18 2.222 -7.635 -7.702 1.00 0.85 C ATOM 243 CG PRO A 18 2.640 -6.214 -7.249 1.00 0.84 C ATOM 244 CD PRO A 18 1.619 -5.773 -6.184 1.00 0.61 C ATOM 0 HA PRO A 18 0.531 -8.833 -6.972 1.00 0.62 H new ATOM 0 HB2 PRO A 18 3.097 -8.267 -7.854 1.00 0.85 H new ATOM 0 HB3 PRO A 18 1.686 -7.599 -8.650 1.00 0.85 H new ATOM 0 HG2 PRO A 18 3.650 -6.220 -6.839 1.00 0.84 H new ATOM 0 HG3 PRO A 18 2.643 -5.524 -8.092 1.00 0.84 H new ATOM 0 HD2 PRO A 18 2.114 -5.406 -5.285 1.00 0.61 H new ATOM 0 HD3 PRO A 18 0.985 -4.966 -6.550 1.00 0.61 H new ATOM 252 N VAL A 19 1.930 -10.342 -5.634 1.00 0.47 N ATOM 253 CA VAL A 19 2.701 -11.231 -4.723 1.00 0.37 C ATOM 254 C VAL A 19 4.167 -11.244 -5.165 1.00 0.37 C ATOM 255 O VAL A 19 4.470 -10.917 -6.295 1.00 0.48 O ATOM 256 CB VAL A 19 2.130 -12.651 -4.788 1.00 0.49 C ATOM 257 CG1 VAL A 19 0.677 -12.640 -4.308 1.00 0.65 C ATOM 258 CG2 VAL A 19 2.186 -13.164 -6.231 1.00 0.65 C ATOM 0 H VAL A 19 1.251 -10.814 -6.230 1.00 0.47 H new ATOM 0 HA VAL A 19 2.629 -10.864 -3.699 1.00 0.37 H new ATOM 0 HB VAL A 19 2.721 -13.306 -4.148 1.00 0.49 H new ATOM 0 HG11 VAL A 19 0.271 -13.650 -4.354 1.00 0.65 H new ATOM 0 HG12 VAL A 19 0.636 -12.279 -3.280 1.00 0.65 H new ATOM 0 HG13 VAL A 19 0.088 -11.982 -4.947 1.00 0.65 H new ATOM 0 HG21 VAL A 19 1.779 -14.174 -6.274 1.00 0.65 H new ATOM 0 HG22 VAL A 19 1.598 -12.508 -6.873 1.00 0.65 H new ATOM 0 HG23 VAL A 19 3.221 -13.175 -6.573 1.00 0.65 H new ATOM 268 N PRO A 20 5.035 -11.620 -4.262 1.00 0.33 N ATOM 269 CA PRO A 20 4.664 -12.016 -2.890 1.00 0.33 C ATOM 270 C PRO A 20 4.413 -10.790 -1.998 1.00 0.32 C ATOM 271 O PRO A 20 4.191 -10.921 -0.811 1.00 0.46 O ATOM 272 CB PRO A 20 5.890 -12.792 -2.402 1.00 0.44 C ATOM 273 CG PRO A 20 7.082 -12.320 -3.268 1.00 0.48 C ATOM 274 CD PRO A 20 6.483 -11.690 -4.539 1.00 0.44 C ATOM 0 HA PRO A 20 3.742 -12.596 -2.858 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.077 -12.598 -1.346 1.00 0.44 H new ATOM 0 HB3 PRO A 20 5.736 -13.866 -2.506 1.00 0.44 H new ATOM 0 HG2 PRO A 20 7.691 -11.596 -2.727 1.00 0.48 H new ATOM 0 HG3 PRO A 20 7.732 -13.157 -3.521 1.00 0.48 H new ATOM 0 HD2 PRO A 20 6.900 -10.701 -4.728 1.00 0.44 H new ATOM 0 HD3 PRO A 20 6.691 -12.297 -5.420 1.00 0.44 H new ATOM 282 N MET A 21 4.445 -9.604 -2.548 1.00 0.29 N ATOM 283 CA MET A 21 4.204 -8.393 -1.716 1.00 0.34 C ATOM 284 C MET A 21 2.784 -8.449 -1.149 1.00 0.27 C ATOM 285 O MET A 21 1.852 -8.832 -1.826 1.00 0.38 O ATOM 286 CB MET A 21 4.359 -7.142 -2.583 1.00 0.46 C ATOM 287 CG MET A 21 4.490 -5.908 -1.691 1.00 0.56 C ATOM 288 SD MET A 21 6.238 -5.471 -1.516 1.00 0.91 S ATOM 289 CE MET A 21 6.389 -4.515 -3.047 1.00 1.45 C ATOM 0 H MET A 21 4.627 -9.424 -3.535 1.00 0.29 H new ATOM 0 HA MET A 21 4.924 -8.358 -0.898 1.00 0.34 H new ATOM 0 HB2 MET A 21 5.238 -7.237 -3.220 1.00 0.46 H new ATOM 0 HB3 MET A 21 3.497 -7.036 -3.242 1.00 0.46 H new ATOM 0 HG2 MET A 21 3.937 -5.074 -2.123 1.00 0.56 H new ATOM 0 HG3 MET A 21 4.054 -6.106 -0.712 1.00 0.56 H new ATOM 0 HE1 MET A 21 7.409 -4.142 -3.144 1.00 1.45 H new ATOM 0 HE2 MET A 21 6.153 -5.153 -3.899 1.00 1.45 H new ATOM 0 HE3 MET A 21 5.696 -3.674 -3.021 1.00 1.45 H new ATOM 299 N ARG A 22 2.614 -8.075 0.090 1.00 0.28 N ATOM 300 CA ARG A 22 1.256 -8.114 0.700 1.00 0.34 C ATOM 301 C ARG A 22 0.798 -6.688 1.010 1.00 0.28 C ATOM 302 O ARG A 22 1.594 -5.823 1.321 1.00 0.30 O ATOM 303 CB ARG A 22 1.310 -8.943 1.990 1.00 0.55 C ATOM 304 CG ARG A 22 0.433 -8.302 3.069 1.00 0.45 C ATOM 305 CD ARG A 22 0.616 -9.055 4.387 1.00 0.49 C ATOM 306 NE ARG A 22 2.067 -9.295 4.623 1.00 0.50 N ATOM 307 CZ ARG A 22 2.780 -8.395 5.247 1.00 0.52 C ATOM 308 NH1 ARG A 22 2.861 -8.421 6.555 1.00 0.74 N ATOM 309 NH2 ARG A 22 3.403 -7.468 4.565 1.00 0.52 N ATOM 0 H ARG A 22 3.357 -7.744 0.705 1.00 0.28 H new ATOM 0 HA ARG A 22 0.549 -8.571 0.008 1.00 0.34 H new ATOM 0 HB2 ARG A 22 0.970 -9.960 1.792 1.00 0.55 H new ATOM 0 HB3 ARG A 22 2.339 -9.014 2.342 1.00 0.55 H new ATOM 0 HG2 ARG A 22 0.702 -7.253 3.196 1.00 0.45 H new ATOM 0 HG3 ARG A 22 -0.613 -8.328 2.765 1.00 0.45 H new ATOM 0 HD2 ARG A 22 0.193 -8.478 5.210 1.00 0.49 H new ATOM 0 HD3 ARG A 22 0.080 -10.004 4.354 1.00 0.49 H new ATOM 0 HE ARG A 22 2.502 -10.159 4.299 1.00 0.50 H new ATOM 0 HH11 ARG A 22 2.369 -9.142 7.082 1.00 0.74 H new ATOM 0 HH12 ARG A 22 3.417 -7.720 7.046 1.00 0.74 H new ATOM 0 HH21 ARG A 22 3.332 -7.449 3.548 1.00 0.52 H new ATOM 0 HH22 ARG A 22 3.960 -6.765 5.051 1.00 0.52 H new ATOM 323 N GLN A 23 -0.481 -6.437 0.924 1.00 0.28 N ATOM 324 CA GLN A 23 -0.996 -5.069 1.212 1.00 0.28 C ATOM 325 C GLN A 23 -0.882 -4.792 2.710 1.00 0.27 C ATOM 326 O GLN A 23 -1.060 -5.673 3.527 1.00 0.37 O ATOM 327 CB GLN A 23 -2.463 -4.973 0.788 1.00 0.36 C ATOM 328 CG GLN A 23 -2.634 -3.835 -0.220 1.00 0.52 C ATOM 329 CD GLN A 23 -3.870 -4.100 -1.080 1.00 0.70 C ATOM 330 OE1 GLN A 23 -3.766 -4.271 -2.279 1.00 0.86 O ATOM 331 NE2 GLN A 23 -5.047 -4.144 -0.514 1.00 0.97 N ATOM 0 H GLN A 23 -1.192 -7.122 0.666 1.00 0.28 H new ATOM 0 HA GLN A 23 -0.410 -4.336 0.657 1.00 0.28 H new ATOM 0 HB2 GLN A 23 -2.786 -5.915 0.346 1.00 0.36 H new ATOM 0 HB3 GLN A 23 -3.093 -4.797 1.660 1.00 0.36 H new ATOM 0 HG2 GLN A 23 -2.738 -2.884 0.303 1.00 0.52 H new ATOM 0 HG3 GLN A 23 -1.748 -3.757 -0.851 1.00 0.52 H new ATOM 0 HE21 GLN A 23 -5.135 -4.001 0.492 1.00 0.97 H new ATOM 0 HE22 GLN A 23 -5.878 -4.322 -1.078 1.00 0.97 H new ATOM 340 N ILE A 24 -0.587 -3.577 3.077 1.00 0.28 N ATOM 341 CA ILE A 24 -0.459 -3.244 4.523 1.00 0.33 C ATOM 342 C ILE A 24 -1.113 -1.887 4.804 1.00 0.36 C ATOM 343 O ILE A 24 -0.623 -1.109 5.596 1.00 0.54 O ATOM 344 CB ILE A 24 1.024 -3.178 4.900 1.00 0.40 C ATOM 345 CG1 ILE A 24 1.783 -2.376 3.840 1.00 0.42 C ATOM 346 CG2 ILE A 24 1.602 -4.592 4.974 1.00 0.58 C ATOM 347 CD1 ILE A 24 2.571 -1.256 4.516 1.00 0.51 C ATOM 0 H ILE A 24 -0.429 -2.799 2.437 1.00 0.28 H new ATOM 0 HA ILE A 24 -0.956 -4.013 5.114 1.00 0.33 H new ATOM 0 HB ILE A 24 1.127 -2.694 5.871 1.00 0.40 H new ATOM 0 HG12 ILE A 24 2.459 -3.030 3.289 1.00 0.42 H new ATOM 0 HG13 ILE A 24 1.084 -1.957 3.116 1.00 0.42 H new ATOM 0 HG21 ILE A 24 2.657 -4.540 5.242 1.00 0.58 H new ATOM 0 HG22 ILE A 24 1.064 -5.166 5.728 1.00 0.58 H new ATOM 0 HG23 ILE A 24 1.498 -5.079 4.004 1.00 0.58 H new ATOM 0 HD11 ILE A 24 3.112 -0.685 3.761 1.00 0.51 H new ATOM 0 HD12 ILE A 24 1.884 -0.597 5.047 1.00 0.51 H new ATOM 0 HD13 ILE A 24 3.281 -1.686 5.223 1.00 0.51 H new ATOM 359 N GLY A 25 -2.213 -1.593 4.168 1.00 0.39 N ATOM 360 CA GLY A 25 -2.885 -0.285 4.417 1.00 0.44 C ATOM 361 C GLY A 25 -3.333 0.322 3.089 1.00 0.36 C ATOM 362 O GLY A 25 -3.232 -0.300 2.049 1.00 0.35 O ATOM 0 H GLY A 25 -2.675 -2.198 3.489 1.00 0.39 H new ATOM 0 HA2 GLY A 25 -3.744 -0.425 5.073 1.00 0.44 H new ATOM 0 HA3 GLY A 25 -2.202 0.395 4.927 1.00 0.44 H new ATOM 366 N THR A 26 -3.827 1.530 3.113 1.00 0.40 N ATOM 367 CA THR A 26 -4.281 2.175 1.852 1.00 0.38 C ATOM 368 C THR A 26 -3.589 3.533 1.697 1.00 0.32 C ATOM 369 O THR A 26 -3.055 4.078 2.644 1.00 0.38 O ATOM 370 CB THR A 26 -5.795 2.373 1.909 1.00 0.53 C ATOM 371 OG1 THR A 26 -6.132 3.091 3.090 1.00 0.62 O ATOM 372 CG2 THR A 26 -6.488 1.010 1.922 1.00 0.74 C ATOM 0 H THR A 26 -3.935 2.097 3.954 1.00 0.40 H new ATOM 0 HA THR A 26 -4.027 1.543 1.001 1.00 0.38 H new ATOM 0 HB THR A 26 -6.123 2.936 1.035 1.00 0.53 H new ATOM 0 HG1 THR A 26 -7.103 3.221 3.128 1.00 0.62 H new ATOM 0 HG21 THR A 26 -7.568 1.151 1.963 1.00 0.74 H new ATOM 0 HG22 THR A 26 -6.228 0.461 1.017 1.00 0.74 H new ATOM 0 HG23 THR A 26 -6.163 0.445 2.796 1.00 0.74 H new ATOM 380 N CYS A 27 -3.599 4.084 0.514 1.00 0.31 N ATOM 381 CA CYS A 27 -2.945 5.404 0.299 1.00 0.30 C ATOM 382 C CYS A 27 -3.928 6.360 -0.378 1.00 0.32 C ATOM 383 O CYS A 27 -4.632 5.991 -1.304 1.00 0.33 O ATOM 384 CB CYS A 27 -1.722 5.236 -0.606 1.00 0.37 C ATOM 385 SG CYS A 27 -0.665 3.912 0.026 1.00 0.33 S ATOM 0 H CYS A 27 -4.033 3.675 -0.314 1.00 0.31 H new ATOM 0 HA CYS A 27 -2.638 5.807 1.264 1.00 0.30 H new ATOM 0 HB2 CYS A 27 -2.040 5.005 -1.623 1.00 0.37 H new ATOM 0 HB3 CYS A 27 -1.162 6.170 -0.652 1.00 0.37 H new ATOM 390 N PHE A 28 -3.963 7.590 0.070 1.00 0.38 N ATOM 391 CA PHE A 28 -4.876 8.603 -0.537 1.00 0.43 C ATOM 392 C PHE A 28 -6.306 8.071 -0.565 1.00 0.46 C ATOM 393 O PHE A 28 -7.002 8.202 -1.549 1.00 0.49 O ATOM 394 CB PHE A 28 -4.424 8.906 -1.966 1.00 0.43 C ATOM 395 CG PHE A 28 -2.919 9.026 -2.007 1.00 0.44 C ATOM 396 CD1 PHE A 28 -2.278 10.046 -1.294 1.00 0.68 C ATOM 397 CD2 PHE A 28 -2.166 8.118 -2.760 1.00 0.46 C ATOM 398 CE1 PHE A 28 -0.882 10.156 -1.335 1.00 0.84 C ATOM 399 CE2 PHE A 28 -0.771 8.228 -2.799 1.00 0.61 C ATOM 400 CZ PHE A 28 -0.130 9.248 -2.086 1.00 0.77 C ATOM 0 H PHE A 28 -3.391 7.938 0.839 1.00 0.38 H new ATOM 0 HA PHE A 28 -4.843 9.513 0.062 1.00 0.43 H new ATOM 0 HB2 PHE A 28 -4.754 8.114 -2.638 1.00 0.43 H new ATOM 0 HB3 PHE A 28 -4.882 9.832 -2.315 1.00 0.43 H new ATOM 0 HD1 PHE A 28 -2.859 10.747 -0.713 1.00 0.68 H new ATOM 0 HD2 PHE A 28 -2.661 7.332 -3.311 1.00 0.46 H new ATOM 0 HE1 PHE A 28 -0.386 10.943 -0.786 1.00 0.84 H new ATOM 0 HE2 PHE A 28 -0.190 7.526 -3.379 1.00 0.61 H new ATOM 0 HZ PHE A 28 0.946 9.333 -2.116 1.00 0.77 H new ATOM 410 N GLY A 29 -6.753 7.467 0.496 1.00 0.54 N ATOM 411 CA GLY A 29 -8.136 6.927 0.501 1.00 0.62 C ATOM 412 C GLY A 29 -8.085 5.463 0.078 1.00 0.62 C ATOM 413 O GLY A 29 -7.277 4.700 0.569 1.00 0.63 O ATOM 0 H GLY A 29 -6.224 7.324 1.356 1.00 0.54 H new ATOM 0 HA2 GLY A 29 -8.575 7.019 1.494 1.00 0.62 H new ATOM 0 HA3 GLY A 29 -8.768 7.497 -0.181 1.00 0.62 H new ATOM 417 N ARG A 30 -8.933 5.058 -0.828 1.00 0.63 N ATOM 418 CA ARG A 30 -8.914 3.637 -1.268 1.00 0.67 C ATOM 419 C ARG A 30 -8.431 3.445 -2.731 1.00 0.62 C ATOM 420 O ARG A 30 -8.461 2.327 -3.203 1.00 0.68 O ATOM 421 CB ARG A 30 -10.321 3.055 -1.139 1.00 0.81 C ATOM 422 CG ARG A 30 -10.855 3.298 0.276 1.00 1.03 C ATOM 423 CD ARG A 30 -11.393 1.986 0.850 1.00 1.62 C ATOM 424 NE ARG A 30 -12.350 1.376 -0.117 1.00 1.88 N ATOM 425 CZ ARG A 30 -13.008 0.292 0.211 1.00 2.28 C ATOM 426 NH1 ARG A 30 -12.388 -0.863 0.224 1.00 2.91 N ATOM 427 NH2 ARG A 30 -14.278 0.368 0.531 1.00 2.56 N ATOM 0 H ARG A 30 -9.633 5.647 -1.279 1.00 0.63 H new ATOM 0 HA ARG A 30 -8.201 3.121 -0.624 1.00 0.67 H new ATOM 0 HB2 ARG A 30 -10.984 3.516 -1.872 1.00 0.81 H new ATOM 0 HB3 ARG A 30 -10.303 1.986 -1.352 1.00 0.81 H new ATOM 0 HG2 ARG A 30 -10.062 3.688 0.914 1.00 1.03 H new ATOM 0 HG3 ARG A 30 -11.645 4.049 0.254 1.00 1.03 H new ATOM 0 HD2 ARG A 30 -10.570 1.298 1.047 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -11.890 2.170 1.803 1.00 1.62 H new ATOM 0 HE ARG A 30 -12.492 1.802 -1.033 1.00 1.88 H new ATOM 0 HH11 ARG A 30 -11.399 -0.914 -0.020 1.00 2.91 H new ATOM 0 HH12 ARG A 30 -12.895 -1.711 0.479 1.00 2.91 H new ATOM 0 HH21 ARG A 30 -14.752 1.271 0.524 1.00 2.56 H new ATOM 0 HH22 ARG A 30 -14.791 -0.476 0.786 1.00 2.56 H new ATOM 441 N PRO A 31 -7.990 4.483 -3.434 1.00 0.56 N ATOM 442 CA PRO A 31 -7.522 4.305 -4.819 1.00 0.57 C ATOM 443 C PRO A 31 -6.140 3.652 -4.818 1.00 0.47 C ATOM 444 O PRO A 31 -5.870 2.748 -5.584 1.00 0.56 O ATOM 445 CB PRO A 31 -7.459 5.726 -5.383 1.00 0.58 C ATOM 446 CG PRO A 31 -7.353 6.667 -4.166 1.00 0.53 C ATOM 447 CD PRO A 31 -7.903 5.883 -2.959 1.00 0.57 C ATOM 0 HA PRO A 31 -8.172 3.661 -5.412 1.00 0.57 H new ATOM 0 HB2 PRO A 31 -6.600 5.845 -6.043 1.00 0.58 H new ATOM 0 HB3 PRO A 31 -8.348 5.951 -5.973 1.00 0.58 H new ATOM 0 HG2 PRO A 31 -6.319 6.966 -3.996 1.00 0.53 H new ATOM 0 HG3 PRO A 31 -7.926 7.580 -4.330 1.00 0.53 H new ATOM 0 HD2 PRO A 31 -7.243 5.969 -2.096 1.00 0.57 H new ATOM 0 HD3 PRO A 31 -8.879 6.259 -2.653 1.00 0.57 H new ATOM 455 N VAL A 32 -5.266 4.093 -3.957 1.00 0.33 N ATOM 456 CA VAL A 32 -3.913 3.489 -3.902 1.00 0.26 C ATOM 457 C VAL A 32 -3.824 2.638 -2.637 1.00 0.25 C ATOM 458 O VAL A 32 -4.511 2.891 -1.670 1.00 0.30 O ATOM 459 CB VAL A 32 -2.872 4.609 -3.875 1.00 0.24 C ATOM 460 CG1 VAL A 32 -1.462 4.015 -3.880 1.00 0.31 C ATOM 461 CG2 VAL A 32 -3.053 5.486 -5.116 1.00 0.28 C ATOM 0 H VAL A 32 -5.434 4.846 -3.290 1.00 0.33 H new ATOM 0 HA VAL A 32 -3.726 2.861 -4.773 1.00 0.26 H new ATOM 0 HB VAL A 32 -3.005 5.204 -2.971 1.00 0.24 H new ATOM 0 HG11 VAL A 32 -0.728 4.820 -3.861 1.00 0.31 H new ATOM 0 HG12 VAL A 32 -1.330 3.383 -3.002 1.00 0.31 H new ATOM 0 HG13 VAL A 32 -1.322 3.418 -4.781 1.00 0.31 H new ATOM 0 HG21 VAL A 32 -2.315 6.288 -5.106 1.00 0.28 H new ATOM 0 HG22 VAL A 32 -2.918 4.880 -6.012 1.00 0.28 H new ATOM 0 HG23 VAL A 32 -4.055 5.915 -5.115 1.00 0.28 H new ATOM 471 N LYS A 33 -3.006 1.624 -2.632 1.00 0.28 N ATOM 472 CA LYS A 33 -2.912 0.767 -1.420 1.00 0.33 C ATOM 473 C LYS A 33 -1.467 0.700 -0.935 1.00 0.28 C ATOM 474 O LYS A 33 -0.537 0.895 -1.692 1.00 0.28 O ATOM 475 CB LYS A 33 -3.400 -0.643 -1.757 1.00 0.42 C ATOM 476 CG LYS A 33 -4.921 -0.628 -1.919 1.00 0.48 C ATOM 477 CD LYS A 33 -5.322 -1.489 -3.120 1.00 0.60 C ATOM 478 CE LYS A 33 -6.271 -0.696 -4.021 1.00 0.61 C ATOM 479 NZ LYS A 33 -5.480 0.110 -4.993 1.00 0.64 N ATOM 0 H LYS A 33 -2.403 1.353 -3.409 1.00 0.28 H new ATOM 0 HA LYS A 33 -3.532 1.195 -0.632 1.00 0.33 H new ATOM 0 HB2 LYS A 33 -2.929 -0.993 -2.675 1.00 0.42 H new ATOM 0 HB3 LYS A 33 -3.114 -1.337 -0.967 1.00 0.42 H new ATOM 0 HG2 LYS A 33 -5.396 -1.006 -1.014 1.00 0.48 H new ATOM 0 HG3 LYS A 33 -5.271 0.395 -2.060 1.00 0.48 H new ATOM 0 HD2 LYS A 33 -4.435 -1.787 -3.680 1.00 0.60 H new ATOM 0 HD3 LYS A 33 -5.806 -2.404 -2.780 1.00 0.60 H new ATOM 0 HE2 LYS A 33 -6.936 -1.376 -4.553 1.00 0.61 H new ATOM 0 HE3 LYS A 33 -6.900 -0.042 -3.417 1.00 0.61 H new ATOM 0 HZ1 LYS A 33 -5.989 0.991 -5.209 1.00 0.64 H new ATOM 0 HZ2 LYS A 33 -4.553 0.338 -4.581 1.00 0.64 H new ATOM 0 HZ3 LYS A 33 -5.345 -0.436 -5.868 1.00 0.64 H new ATOM 493 N CYS A 34 -1.272 0.404 0.319 1.00 0.26 N ATOM 494 CA CYS A 34 0.109 0.302 0.857 1.00 0.25 C ATOM 495 C CYS A 34 0.572 -1.139 0.690 1.00 0.23 C ATOM 496 O CYS A 34 -0.205 -2.061 0.821 1.00 0.30 O ATOM 497 CB CYS A 34 0.117 0.665 2.346 1.00 0.29 C ATOM 498 SG CYS A 34 -0.421 2.380 2.560 1.00 0.32 S ATOM 0 H CYS A 34 -2.014 0.228 0.996 1.00 0.26 H new ATOM 0 HA CYS A 34 0.770 0.985 0.324 1.00 0.25 H new ATOM 0 HB2 CYS A 34 -0.543 -0.005 2.897 1.00 0.29 H new ATOM 0 HB3 CYS A 34 1.118 0.534 2.757 1.00 0.29 H new ATOM 503 N CYS A 35 1.821 -1.353 0.392 1.00 0.21 N ATOM 504 CA CYS A 35 2.298 -2.748 0.211 1.00 0.23 C ATOM 505 C CYS A 35 3.670 -2.919 0.857 1.00 0.23 C ATOM 506 O CYS A 35 4.528 -2.064 0.756 1.00 0.29 O ATOM 507 CB CYS A 35 2.397 -3.058 -1.282 1.00 0.28 C ATOM 508 SG CYS A 35 0.754 -3.454 -1.927 1.00 0.35 S ATOM 0 H CYS A 35 2.527 -0.628 0.267 1.00 0.21 H new ATOM 0 HA CYS A 35 1.594 -3.432 0.684 1.00 0.23 H new ATOM 0 HB2 CYS A 35 2.812 -2.203 -1.815 1.00 0.28 H new ATOM 0 HB3 CYS A 35 3.075 -3.895 -1.446 1.00 0.28 H new ATOM 513 N ARG A 36 3.884 -4.023 1.519 1.00 0.22 N ATOM 514 CA ARG A 36 5.200 -4.261 2.167 1.00 0.25 C ATOM 515 C ARG A 36 5.474 -5.762 2.200 1.00 0.25 C ATOM 516 O ARG A 36 4.578 -6.570 2.052 1.00 0.28 O ATOM 517 CB ARG A 36 5.182 -3.719 3.595 1.00 0.32 C ATOM 518 CG ARG A 36 6.510 -3.023 3.889 1.00 0.61 C ATOM 519 CD ARG A 36 6.420 -2.300 5.232 1.00 0.62 C ATOM 520 NE ARG A 36 6.150 -3.287 6.313 1.00 0.54 N ATOM 521 CZ ARG A 36 5.559 -2.907 7.417 1.00 0.72 C ATOM 522 NH1 ARG A 36 5.680 -1.668 7.833 1.00 0.98 N ATOM 523 NH2 ARG A 36 4.847 -3.765 8.105 1.00 0.95 N ATOM 0 H ARG A 36 3.201 -4.771 1.638 1.00 0.22 H new ATOM 0 HA ARG A 36 5.980 -3.752 1.601 1.00 0.25 H new ATOM 0 HB2 ARG A 36 4.356 -3.019 3.720 1.00 0.32 H new ATOM 0 HB3 ARG A 36 5.020 -4.532 4.303 1.00 0.32 H new ATOM 0 HG2 ARG A 36 7.319 -3.754 3.911 1.00 0.61 H new ATOM 0 HG3 ARG A 36 6.744 -2.312 3.096 1.00 0.61 H new ATOM 0 HD2 ARG A 36 7.351 -1.770 5.434 1.00 0.62 H new ATOM 0 HD3 ARG A 36 5.627 -1.553 5.202 1.00 0.62 H new ATOM 0 HE ARG A 36 6.426 -4.262 6.193 1.00 0.54 H new ATOM 0 HH11 ARG A 36 6.235 -1.002 7.296 1.00 0.98 H new ATOM 0 HH12 ARG A 36 5.219 -1.372 8.693 1.00 0.98 H new ATOM 0 HH21 ARG A 36 4.754 -4.727 7.780 1.00 0.95 H new ATOM 0 HH22 ARG A 36 4.386 -3.471 8.966 1.00 0.95 H new ATOM 537 N SER A 37 6.703 -6.141 2.401 1.00 0.30 N ATOM 538 CA SER A 37 7.034 -7.587 2.453 1.00 0.35 C ATOM 539 C SER A 37 6.741 -8.121 3.857 1.00 0.39 C ATOM 540 O SER A 37 6.334 -9.252 4.029 1.00 0.58 O ATOM 541 CB SER A 37 8.515 -7.773 2.132 1.00 0.46 C ATOM 542 OG SER A 37 9.080 -6.509 1.805 1.00 0.54 O ATOM 0 H SER A 37 7.493 -5.509 2.532 1.00 0.30 H new ATOM 0 HA SER A 37 6.433 -8.132 1.725 1.00 0.35 H new ATOM 0 HB2 SER A 37 9.034 -8.208 2.986 1.00 0.46 H new ATOM 0 HB3 SER A 37 8.636 -8.466 1.299 1.00 0.46 H new ATOM 0 HG SER A 37 9.351 -6.049 2.627 1.00 0.54 H new ATOM 548 N TRP A 38 6.940 -7.310 4.860 1.00 0.41 N ATOM 549 CA TRP A 38 6.671 -7.761 6.252 1.00 0.51 C ATOM 550 C TRP A 38 5.621 -6.846 6.872 1.00 0.54 C ATOM 551 O TRP A 38 5.168 -5.952 6.181 1.00 0.54 O ATOM 552 CB TRP A 38 7.962 -7.692 7.075 1.00 0.58 C ATOM 553 CG TRP A 38 8.372 -6.265 7.256 1.00 0.54 C ATOM 554 CD1 TRP A 38 8.105 -5.512 8.348 1.00 0.66 C ATOM 555 CD2 TRP A 38 9.116 -5.408 6.342 1.00 0.60 C ATOM 556 NE1 TRP A 38 8.635 -4.250 8.162 1.00 0.73 N ATOM 557 CE2 TRP A 38 9.269 -4.136 6.941 1.00 0.71 C ATOM 558 CE3 TRP A 38 9.667 -5.609 5.065 1.00 0.73 C ATOM 559 CZ2 TRP A 38 9.945 -3.100 6.296 1.00 0.90 C ATOM 560 CZ3 TRP A 38 10.347 -4.569 4.412 1.00 0.94 C ATOM 561 CH2 TRP A 38 10.486 -3.317 5.027 1.00 1.01 C ATOM 562 OXT TRP A 38 5.279 -7.055 8.022 1.00 0.67 O ATOM 0 H TRP A 38 7.278 -6.352 4.773 1.00 0.41 H new ATOM 0 HA TRP A 38 6.309 -8.789 6.243 1.00 0.51 H new ATOM 0 HB2 TRP A 38 7.810 -8.162 8.047 1.00 0.58 H new ATOM 0 HB3 TRP A 38 8.754 -8.247 6.573 1.00 0.58 H new ATOM 0 HD1 TRP A 38 7.565 -5.844 9.223 1.00 0.66 H new ATOM 0 HE1 TRP A 38 8.566 -3.494 8.844 1.00 0.73 H new ATOM 0 HE3 TRP A 38 9.567 -6.570 4.583 1.00 0.73 H new ATOM 0 HZ2 TRP A 38 10.049 -2.137 6.775 1.00 0.90 H new ATOM 0 HZ3 TRP A 38 10.765 -4.734 3.430 1.00 0.94 H new ATOM 0 HH2 TRP A 38 11.011 -2.521 4.520 1.00 1.01 H new