USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 387 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 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.483 X(o=0.48,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -1.91! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.941 -19.680 -3.797 0.01 0.01 N ATOM 2 CA ALA A 1 6.591 -20.250 -4.052 1.00 0.00 C ATOM 3 C ALA A 1 5.742 -19.279 -4.884 1.00 0.00 C ATOM 4 O ALA A 1 6.123 -18.119 -5.056 1.00 0.00 O ATOM 5 CB ALA A 1 5.889 -20.626 -2.731 1.00 0.00 C ATOM 0 H1 ALA A 1 8.500 -20.351 -3.233 0.01 0.01 H new ATOM 0 H2 ALA A 1 8.421 -19.505 -4.703 0.01 0.01 H new ATOM 0 H3 ALA A 1 7.847 -18.785 -3.276 0.01 0.01 H new ATOM 0 HA ALA A 1 6.711 -21.167 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.904 -21.040 -2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.486 -21.368 -2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.780 -19.736 -2.111 1.00 0.00 H new ATOM 13 N LEU A 2 4.576 -19.721 -5.371 1.00 0.00 N ATOM 14 CA LEU A 2 3.591 -18.870 -6.061 1.00 0.00 C ATOM 15 C LEU A 2 2.336 -18.652 -5.190 1.00 0.00 C ATOM 16 O LEU A 2 1.759 -19.609 -4.667 1.00 0.00 O ATOM 17 CB LEU A 2 3.213 -19.486 -7.426 1.00 0.00 C ATOM 18 CG LEU A 2 3.153 -18.426 -8.547 1.00 0.00 C ATOM 19 CD1 LEU A 2 4.410 -18.504 -9.413 1.00 0.00 C ATOM 20 CD2 LEU A 2 1.926 -18.611 -9.439 1.00 0.00 C ATOM 0 H LEU A 2 4.283 -20.695 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 2 4.046 -17.895 -6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 2 3.941 -20.252 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.245 -19.981 -7.344 1.00 0.00 H new ATOM 0 HG LEU A 2 3.087 -17.451 -8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.357 -17.752 -10.200 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.289 -18.321 -8.795 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.482 -19.495 -9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.921 -17.845 -10.215 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.958 -19.597 -9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.022 -18.523 -8.837 1.00 0.00 H new ATOM 32 N VAL A 3 1.920 -17.392 -5.046 1.00 0.00 N ATOM 33 CA VAL A 3 0.792 -16.942 -4.199 1.00 0.00 C ATOM 34 C VAL A 3 0.076 -15.721 -4.799 1.00 0.00 C ATOM 35 O VAL A 3 0.609 -15.047 -5.689 1.00 0.00 O ATOM 36 CB VAL A 3 1.251 -16.603 -2.755 1.00 0.00 C ATOM 37 CG1 VAL A 3 1.891 -17.796 -2.036 1.00 0.00 C ATOM 38 CG2 VAL A 3 2.217 -15.411 -2.694 1.00 0.00 C ATOM 0 H VAL A 3 2.373 -16.618 -5.533 1.00 0.00 H new ATOM 0 HA VAL A 3 0.094 -17.778 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 3 0.330 -16.333 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.191 -17.497 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.170 -18.611 -1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.767 -18.129 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.500 -15.225 -1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.109 -15.635 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.729 -14.526 -3.101 1.00 0.00 H new ATOM 48 N ASP A 4 -1.124 -15.417 -4.293 1.00 0.00 N ATOM 49 CA ASP A 4 -1.954 -14.255 -4.682 1.00 0.00 C ATOM 50 C ASP A 4 -2.847 -13.706 -3.554 1.00 0.00 C ATOM 51 O ASP A 4 -3.192 -12.527 -3.564 1.00 0.00 O ATOM 52 CB ASP A 4 -2.827 -14.622 -5.901 1.00 0.00 C ATOM 53 CG ASP A 4 -4.030 -15.529 -5.557 1.00 0.00 C ATOM 54 OD1 ASP A 4 -3.823 -16.735 -5.280 1.00 0.00 O ATOM 55 OD2 ASP A 4 -5.181 -15.030 -5.554 1.00 0.00 O ATOM 0 H ASP A 4 -1.567 -15.990 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.254 -13.457 -4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.195 -13.705 -6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.206 -15.124 -6.643 1.00 0.00 H new ATOM 60 N GLU A 5 -3.169 -14.521 -2.541 1.00 0.00 N ATOM 61 CA GLU A 5 -3.947 -14.084 -1.359 1.00 0.00 C ATOM 62 C GLU A 5 -3.247 -12.981 -0.560 1.00 0.00 C ATOM 63 O GLU A 5 -3.901 -12.056 -0.077 1.00 0.00 O ATOM 64 CB GLU A 5 -4.239 -15.265 -0.420 1.00 0.00 C ATOM 65 CG GLU A 5 -5.587 -15.090 0.278 1.00 0.00 C ATOM 66 CD GLU A 5 -5.642 -15.926 1.548 1.00 0.00 C ATOM 67 OE1 GLU A 5 -5.068 -15.488 2.571 1.00 0.00 O ATOM 68 OE2 GLU A 5 -6.273 -17.007 1.528 1.00 0.00 O ATOM 0 H GLU A 5 -2.900 -15.505 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.880 -13.680 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.238 -16.195 -0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.448 -15.346 0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.744 -14.039 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.392 -15.386 -0.394 1.00 0.00 H new ATOM 75 N VAL A 6 -1.911 -13.040 -0.477 1.00 0.00 N ATOM 76 CA VAL A 6 -1.094 -11.977 0.139 1.00 0.00 C ATOM 77 C VAL A 6 -1.293 -10.642 -0.580 1.00 0.00 C ATOM 78 O VAL A 6 -1.485 -9.617 0.071 1.00 0.00 O ATOM 79 CB VAL A 6 0.408 -12.349 0.205 1.00 0.00 C ATOM 80 CG1 VAL A 6 1.222 -12.046 -1.066 1.00 0.00 C ATOM 81 CG2 VAL A 6 1.089 -11.630 1.370 1.00 0.00 C ATOM 0 H VAL A 6 -1.364 -13.823 -0.833 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.442 -11.870 1.167 1.00 0.00 H new ATOM 0 HB VAL A 6 0.403 -13.432 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.259 -12.344 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.805 -12.601 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.179 -10.978 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.144 -11.904 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.998 -10.552 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.612 -11.921 2.306 1.00 0.00 H new ATOM 91 N LYS A 7 -1.321 -10.670 -1.920 1.00 0.00 N ATOM 92 CA LYS A 7 -1.500 -9.490 -2.762 1.00 0.00 C ATOM 93 C LYS A 7 -2.861 -8.843 -2.489 1.00 0.00 C ATOM 94 O LYS A 7 -2.906 -7.653 -2.200 1.00 0.00 O ATOM 95 CB LYS A 7 -1.316 -9.871 -4.247 1.00 0.00 C ATOM 96 CG LYS A 7 -1.372 -8.652 -5.180 1.00 0.00 C ATOM 97 CD LYS A 7 -1.147 -8.994 -6.661 1.00 0.00 C ATOM 98 CE LYS A 7 -2.308 -9.776 -7.296 1.00 0.00 C ATOM 99 NZ LYS A 7 -3.121 -8.945 -8.217 1.00 0.00 N ATOM 0 H LYS A 7 -1.217 -11.533 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.740 -8.747 -2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.359 -10.377 -4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.092 -10.581 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.343 -8.168 -5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.619 -7.930 -4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.994 -8.070 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.232 -9.579 -6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.909 -10.632 -7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.949 -10.171 -6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.889 -9.521 -8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.526 -8.142 -7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.519 -8.589 -8.986 1.00 0.00 H new ATOM 113 N ASP A 8 -3.956 -9.614 -2.506 1.00 0.00 N ATOM 114 CA ASP A 8 -5.323 -9.134 -2.232 1.00 0.00 C ATOM 115 C ASP A 8 -5.462 -8.423 -0.871 1.00 0.00 C ATOM 116 O ASP A 8 -5.926 -7.285 -0.816 1.00 0.00 O ATOM 117 CB ASP A 8 -6.283 -10.332 -2.345 1.00 0.00 C ATOM 118 CG ASP A 8 -7.752 -9.974 -2.041 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.146 -10.012 -0.851 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.513 -9.674 -2.994 1.00 0.00 O ATOM 0 H ASP A 8 -3.919 -10.612 -2.715 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.576 -8.373 -2.970 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.219 -10.745 -3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.958 -11.114 -1.658 1.00 0.00 H new ATOM 125 N MET A 9 -4.993 -9.049 0.212 1.00 0.00 N ATOM 126 CA MET A 9 -4.958 -8.438 1.561 1.00 0.00 C ATOM 127 C MET A 9 -4.154 -7.126 1.607 1.00 0.00 C ATOM 128 O MET A 9 -4.561 -6.127 2.209 1.00 0.00 O ATOM 129 CB MET A 9 -4.337 -9.434 2.555 1.00 0.00 C ATOM 130 CG MET A 9 -5.235 -10.654 2.773 1.00 0.00 C ATOM 131 SD MET A 9 -6.814 -10.273 3.586 1.00 0.00 S ATOM 132 CE MET A 9 -7.847 -11.546 2.820 1.00 0.00 C ATOM 0 H MET A 9 -4.623 -9.999 0.187 1.00 0.00 H new ATOM 0 HA MET A 9 -5.988 -8.201 1.829 1.00 0.00 H new ATOM 0 HB2 MET A 9 -3.365 -9.760 2.184 1.00 0.00 H new ATOM 0 HB3 MET A 9 -4.163 -8.935 3.509 1.00 0.00 H new ATOM 0 HG2 MET A 9 -5.438 -11.120 1.809 1.00 0.00 H new ATOM 0 HG3 MET A 9 -4.696 -11.386 3.374 1.00 0.00 H new ATOM 0 HE1 MET A 9 -8.865 -11.467 3.202 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.853 -11.407 1.739 1.00 0.00 H new ATOM 0 HE3 MET A 9 -7.446 -12.531 3.057 1.00 0.00 H new ATOM 142 N GLU A 10 -3.028 -7.148 0.897 1.00 0.00 N ATOM 143 CA GLU A 10 -2.187 -5.969 0.673 1.00 0.00 C ATOM 144 C GLU A 10 -2.910 -4.854 -0.079 1.00 0.00 C ATOM 145 O GLU A 10 -2.809 -3.714 0.353 1.00 0.00 O ATOM 146 CB GLU A 10 -0.835 -6.303 0.041 1.00 0.00 C ATOM 147 CG GLU A 10 0.301 -6.203 1.059 1.00 0.00 C ATOM 148 CD GLU A 10 0.257 -7.213 2.198 1.00 0.00 C ATOM 149 OE1 GLU A 10 -0.480 -6.988 3.186 1.00 0.00 O ATOM 150 OE2 GLU A 10 1.056 -8.174 2.157 1.00 0.00 O ATOM 0 H GLU A 10 -2.668 -7.994 0.455 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.971 -5.582 1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.865 -7.311 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.642 -5.623 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.248 -6.318 0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.294 -5.200 1.486 1.00 0.00 H new ATOM 157 N ILE A 11 -3.739 -5.142 -1.089 1.00 0.00 N ATOM 158 CA ILE A 11 -4.558 -4.122 -1.777 1.00 0.00 C ATOM 159 C ILE A 11 -5.613 -3.529 -0.824 1.00 0.00 C ATOM 160 O ILE A 11 -5.820 -2.317 -0.801 1.00 0.00 O ATOM 161 CB ILE A 11 -5.265 -4.705 -3.033 1.00 0.00 C ATOM 162 CG1 ILE A 11 -4.300 -5.326 -4.062 1.00 0.00 C ATOM 163 CG2 ILE A 11 -6.142 -3.683 -3.791 1.00 0.00 C ATOM 164 CD1 ILE A 11 -3.007 -4.532 -4.243 1.00 0.00 C ATOM 0 H ILE A 11 -3.865 -6.085 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.878 -3.332 -2.098 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.896 -5.483 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.053 -6.341 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.807 -5.403 -5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.601 -4.166 -4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.922 -3.310 -3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.523 -2.851 -4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.376 -5.027 -4.981 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.244 -3.524 -4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.478 -4.477 -3.292 1.00 0.00 H new ATOM 176 N ALA A 12 -6.258 -4.355 0.007 1.00 0.00 N ATOM 177 CA ALA A 12 -7.197 -3.890 1.037 1.00 0.00 C ATOM 178 C ALA A 12 -6.575 -2.832 1.983 1.00 0.00 C ATOM 179 O ALA A 12 -7.219 -1.844 2.345 1.00 0.00 O ATOM 180 CB ALA A 12 -7.737 -5.103 1.813 1.00 0.00 C ATOM 0 H ALA A 12 -6.144 -5.368 -0.015 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.024 -3.383 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.434 -4.764 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.251 -5.775 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.909 -5.631 2.285 1.00 0.00 H new ATOM 186 N ARG A 13 -5.292 -2.991 2.317 1.00 0.00 N ATOM 187 CA ARG A 13 -4.499 -1.988 3.033 1.00 0.00 C ATOM 188 C ARG A 13 -4.349 -0.648 2.267 1.00 0.00 C ATOM 189 O ARG A 13 -4.468 0.415 2.884 1.00 0.00 O ATOM 190 CB ARG A 13 -3.137 -2.598 3.395 1.00 0.00 C ATOM 191 CG ARG A 13 -3.154 -3.272 4.773 1.00 0.00 C ATOM 192 CD ARG A 13 -1.802 -3.939 5.043 1.00 0.00 C ATOM 193 NE ARG A 13 -1.897 -5.008 6.051 1.00 0.00 N ATOM 194 CZ ARG A 13 -0.902 -5.495 6.773 1.00 0.00 C ATOM 195 NH1 ARG A 13 0.307 -5.001 6.721 1.00 0.00 N ATOM 196 NH2 ARG A 13 -1.104 -6.496 7.584 1.00 0.00 N ATOM 0 H ARG A 13 -4.765 -3.836 2.094 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.038 -1.723 3.943 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.855 -3.330 2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.376 -1.818 3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.366 -2.534 5.546 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.951 -4.015 4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.412 -4.353 4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.089 -3.187 5.381 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.820 -5.412 6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.509 -4.212 6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.048 -5.405 7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.034 -6.908 7.664 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.332 -6.867 8.138 1.00 0.00 H new ATOM 210 N LEU A 14 -4.187 -0.662 0.934 1.00 0.00 N ATOM 211 CA LEU A 14 -4.223 0.560 0.106 1.00 0.00 C ATOM 212 C LEU A 14 -5.560 1.300 0.164 1.00 0.00 C ATOM 213 O LEU A 14 -5.563 2.521 0.323 1.00 0.00 O ATOM 214 CB LEU A 14 -3.861 0.314 -1.373 1.00 0.00 C ATOM 215 CG LEU A 14 -2.362 0.082 -1.596 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.038 -1.392 -1.441 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.919 0.562 -2.971 1.00 0.00 C ATOM 0 H LEU A 14 -4.028 -1.516 0.399 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.455 1.189 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.414 -0.552 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.182 1.170 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.821 0.659 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.971 -1.549 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.306 -1.720 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.603 -1.968 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.851 0.381 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.469 0.020 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.119 1.629 -3.066 1.00 0.00 H new ATOM 229 N MET A 15 -6.699 0.606 0.088 1.00 0.00 N ATOM 230 CA MET A 15 -8.013 1.239 0.274 1.00 0.00 C ATOM 231 C MET A 15 -8.174 1.915 1.649 1.00 0.00 C ATOM 232 O MET A 15 -8.759 2.997 1.730 1.00 0.00 O ATOM 233 CB MET A 15 -9.126 0.186 0.114 1.00 0.00 C ATOM 234 CG MET A 15 -9.717 0.126 -1.298 1.00 0.00 C ATOM 235 SD MET A 15 -11.474 -0.341 -1.292 1.00 0.00 S ATOM 236 CE MET A 15 -11.861 -0.151 -3.050 1.00 0.00 C ATOM 0 H MET A 15 -6.740 -0.395 -0.101 1.00 0.00 H new ATOM 0 HA MET A 15 -8.090 2.015 -0.487 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.727 -0.794 0.373 1.00 0.00 H new ATOM 0 HB3 MET A 15 -9.924 0.403 0.824 1.00 0.00 H new ATOM 0 HG2 MET A 15 -9.603 1.098 -1.778 1.00 0.00 H new ATOM 0 HG3 MET A 15 -9.155 -0.592 -1.895 1.00 0.00 H new ATOM 0 HE1 MET A 15 -12.908 -0.400 -3.221 1.00 0.00 H new ATOM 0 HE2 MET A 15 -11.679 0.880 -3.353 1.00 0.00 H new ATOM 0 HE3 MET A 15 -11.229 -0.818 -3.636 1.00 0.00 H new ATOM 246 N SER A 16 -7.633 1.323 2.720 1.00 0.00 N ATOM 247 CA SER A 16 -7.664 1.924 4.067 1.00 0.00 C ATOM 248 C SER A 16 -6.961 3.295 4.134 1.00 0.00 C ATOM 249 O SER A 16 -7.476 4.233 4.757 1.00 0.00 O ATOM 250 CB SER A 16 -7.026 0.968 5.095 1.00 0.00 C ATOM 251 OG SER A 16 -7.977 0.582 6.074 1.00 0.00 O ATOM 0 H SER A 16 -7.163 0.419 2.683 1.00 0.00 H new ATOM 0 HA SER A 16 -8.715 2.087 4.306 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.640 0.084 4.587 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.178 1.456 5.576 1.00 0.00 H new ATOM 0 HG SER A 16 -7.556 -0.026 6.717 1.00 0.00 H new ATOM 257 N LEU A 17 -5.819 3.433 3.469 1.00 0.00 N ATOM 258 CA LEU A 17 -5.101 4.719 3.337 1.00 0.00 C ATOM 259 C LEU A 17 -5.743 5.696 2.321 1.00 0.00 C ATOM 260 O LEU A 17 -5.627 6.912 2.494 1.00 0.00 O ATOM 261 CB LEU A 17 -3.629 4.449 2.982 1.00 0.00 C ATOM 262 CG LEU A 17 -2.741 4.052 4.179 1.00 0.00 C ATOM 263 CD1 LEU A 17 -1.311 3.817 3.693 1.00 0.00 C ATOM 264 CD2 LEU A 17 -2.731 5.133 5.269 1.00 0.00 C ATOM 0 H LEU A 17 -5.353 2.657 2.999 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.170 5.221 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.589 3.654 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.211 5.342 2.517 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.154 3.141 4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.681 3.536 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.305 3.016 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.926 4.731 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.094 4.813 6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.347 6.065 4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.746 5.290 5.635 1.00 0.00 H new ATOM 276 N GLY A 18 -6.424 5.194 1.285 1.00 0.00 N ATOM 277 CA GLY A 18 -7.066 5.997 0.235 1.00 0.00 C ATOM 278 C GLY A 18 -6.201 6.061 -1.022 1.00 0.00 C ATOM 279 O GLY A 18 -5.337 6.939 -1.137 1.00 0.00 O ATOM 0 H GLY A 18 -6.548 4.191 1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.037 5.568 -0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.248 7.006 0.606 1.00 0.00 H new ATOM 283 N LEU A 19 -6.448 5.136 -1.954 1.00 0.00 N ATOM 284 CA LEU A 19 -5.742 4.979 -3.240 1.00 0.00 C ATOM 285 C LEU A 19 -6.718 4.464 -4.343 1.00 0.00 C ATOM 286 O LEU A 19 -7.902 4.248 -4.070 1.00 0.00 O ATOM 287 CB LEU A 19 -4.531 4.054 -3.015 1.00 0.00 C ATOM 288 CG LEU A 19 -3.385 4.735 -2.232 1.00 0.00 C ATOM 289 CD1 LEU A 19 -2.231 3.812 -1.866 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.763 5.892 -3.023 1.00 0.00 C ATOM 0 H LEU A 19 -7.182 4.438 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.372 5.938 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.856 3.166 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.154 3.718 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.877 5.075 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.474 4.375 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.600 2.998 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.791 3.401 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.962 6.344 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.358 5.515 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.526 6.641 -3.232 1.00 0.00 H new ATOM 302 N SER A 20 -6.252 4.301 -5.590 1.00 0.00 N ATOM 303 CA SER A 20 -7.015 3.735 -6.726 1.00 0.00 C ATOM 304 C SER A 20 -7.360 2.229 -6.549 1.00 0.00 C ATOM 305 O SER A 20 -7.227 1.679 -5.451 1.00 0.00 O ATOM 306 CB SER A 20 -6.217 3.900 -8.038 1.00 0.00 C ATOM 307 OG SER A 20 -5.540 5.149 -8.127 1.00 0.00 O ATOM 0 H SER A 20 -5.302 4.567 -5.850 1.00 0.00 H new ATOM 0 HA SER A 20 -7.953 4.290 -6.762 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.489 3.093 -8.117 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.897 3.801 -8.884 1.00 0.00 H new ATOM 0 HG SER A 20 -5.052 5.197 -8.975 1.00 0.00 H new ATOM 313 N ILE A 21 -7.741 1.523 -7.627 1.00 0.00 N ATOM 314 CA ILE A 21 -7.901 0.053 -7.638 1.00 0.00 C ATOM 315 C ILE A 21 -6.730 -0.605 -8.408 1.00 0.00 C ATOM 316 O ILE A 21 -5.665 -0.791 -7.824 1.00 0.00 O ATOM 317 CB ILE A 21 -9.312 -0.311 -8.159 1.00 0.00 C ATOM 318 CG1 ILE A 21 -10.420 0.477 -7.418 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.576 -1.819 -7.997 1.00 0.00 C ATOM 320 CD1 ILE A 21 -11.120 1.484 -8.343 1.00 0.00 C ATOM 0 H ILE A 21 -7.949 1.958 -8.526 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.843 -0.355 -6.629 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.340 -0.041 -9.215 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -11.156 -0.220 -7.017 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.985 1.005 -6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.573 -2.056 -8.369 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.834 -2.381 -8.564 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.508 -2.089 -6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.890 2.016 -7.785 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.389 2.198 -8.723 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.578 0.954 -9.178 1.00 0.00 H new ATOM 332 N GLU A 22 -6.864 -0.925 -9.705 1.00 0.00 N ATOM 333 CA GLU A 22 -5.785 -1.596 -10.486 1.00 0.00 C ATOM 334 C GLU A 22 -4.460 -0.831 -10.544 1.00 0.00 C ATOM 335 O GLU A 22 -3.398 -1.434 -10.385 1.00 0.00 O ATOM 336 CB GLU A 22 -6.225 -1.904 -11.926 1.00 0.00 C ATOM 337 CG GLU A 22 -7.270 -3.020 -12.020 1.00 0.00 C ATOM 338 CD GLU A 22 -8.662 -2.463 -12.287 1.00 0.00 C ATOM 339 OE1 GLU A 22 -9.226 -1.810 -11.381 1.00 0.00 O ATOM 340 OE2 GLU A 22 -9.191 -2.694 -13.397 1.00 0.00 O ATOM 0 H GLU A 22 -7.707 -0.734 -10.246 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.607 -2.517 -9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.631 -0.998 -12.375 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.350 -2.186 -12.512 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.995 -3.711 -12.817 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.278 -3.591 -11.092 1.00 0.00 H new ATOM 347 N GLU A 23 -4.508 0.495 -10.724 1.00 0.00 N ATOM 348 CA GLU A 23 -3.309 1.361 -10.644 1.00 0.00 C ATOM 349 C GLU A 23 -2.685 1.327 -9.249 1.00 0.00 C ATOM 350 O GLU A 23 -1.469 1.220 -9.127 1.00 0.00 O ATOM 351 CB GLU A 23 -3.633 2.811 -11.028 1.00 0.00 C ATOM 352 CG GLU A 23 -2.396 3.676 -11.288 1.00 0.00 C ATOM 353 CD GLU A 23 -1.856 3.462 -12.698 1.00 0.00 C ATOM 354 OE1 GLU A 23 -2.437 4.033 -13.648 1.00 0.00 O ATOM 355 OE2 GLU A 23 -0.836 2.755 -12.851 1.00 0.00 O ATOM 0 H GLU A 23 -5.369 1.002 -10.928 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.589 0.964 -11.359 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.257 2.809 -11.922 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.220 3.265 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.649 4.727 -11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.622 3.435 -10.559 1.00 0.00 H new ATOM 362 N ALA A 24 -3.511 1.363 -8.199 1.00 0.00 N ATOM 363 CA ALA A 24 -3.054 1.192 -6.819 1.00 0.00 C ATOM 364 C ALA A 24 -2.322 -0.139 -6.609 1.00 0.00 C ATOM 365 O ALA A 24 -1.257 -0.114 -6.010 1.00 0.00 O ATOM 366 CB ALA A 24 -4.197 1.343 -5.819 1.00 0.00 C ATOM 0 H ALA A 24 -4.517 1.512 -8.283 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.338 1.992 -6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.815 1.209 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.634 2.337 -5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.960 0.591 -6.022 1.00 0.00 H new ATOM 372 N THR A 25 -2.806 -1.273 -7.125 1.00 0.00 N ATOM 373 CA THR A 25 -2.066 -2.547 -7.071 1.00 0.00 C ATOM 374 C THR A 25 -0.639 -2.407 -7.607 1.00 0.00 C ATOM 375 O THR A 25 0.326 -2.651 -6.878 1.00 0.00 O ATOM 376 CB THR A 25 -2.795 -3.667 -7.831 1.00 0.00 C ATOM 377 OG1 THR A 25 -4.090 -3.888 -7.313 1.00 0.00 O ATOM 378 CG2 THR A 25 -2.031 -4.997 -7.868 1.00 0.00 C ATOM 0 H THR A 25 -3.712 -1.339 -7.588 1.00 0.00 H new ATOM 0 HA THR A 25 -2.013 -2.819 -6.017 1.00 0.00 H new ATOM 0 HB THR A 25 -2.863 -3.306 -8.857 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.527 -4.605 -7.819 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.612 -5.735 -8.422 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.069 -4.850 -8.358 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.869 -5.352 -6.850 1.00 0.00 H new ATOM 386 N GLU A 26 -0.497 -1.967 -8.863 1.00 0.00 N ATOM 387 CA GLU A 26 0.833 -1.672 -9.425 1.00 0.00 C ATOM 388 C GLU A 26 1.663 -0.754 -8.525 1.00 0.00 C ATOM 389 O GLU A 26 2.776 -1.130 -8.183 1.00 0.00 O ATOM 390 CB GLU A 26 0.754 -1.131 -10.862 1.00 0.00 C ATOM 391 CG GLU A 26 1.313 -2.177 -11.825 1.00 0.00 C ATOM 392 CD GLU A 26 1.285 -1.667 -13.258 1.00 0.00 C ATOM 393 OE1 GLU A 26 0.185 -1.617 -13.854 1.00 0.00 O ATOM 394 OE2 GLU A 26 2.369 -1.350 -13.797 1.00 0.00 O ATOM 0 H GLU A 26 -1.274 -1.808 -9.505 1.00 0.00 H new ATOM 0 HA GLU A 26 1.356 -2.627 -9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.279 -0.898 -11.119 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.320 -0.203 -10.946 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.336 -2.426 -11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.729 -3.095 -11.750 1.00 0.00 H new ATOM 401 N PHE A 27 1.125 0.375 -8.059 1.00 0.00 N ATOM 402 CA PHE A 27 1.832 1.318 -7.178 1.00 0.00 C ATOM 403 C PHE A 27 2.343 0.676 -5.872 1.00 0.00 C ATOM 404 O PHE A 27 3.517 0.800 -5.541 1.00 0.00 O ATOM 405 CB PHE A 27 0.926 2.516 -6.858 1.00 0.00 C ATOM 406 CG PHE A 27 1.678 3.747 -6.379 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.342 4.540 -7.337 1.00 0.00 C ATOM 408 CD2 PHE A 27 1.714 4.123 -5.016 1.00 0.00 C ATOM 409 CE1 PHE A 27 2.995 5.722 -6.951 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.346 5.322 -4.641 1.00 0.00 C ATOM 411 CZ PHE A 27 2.982 6.124 -5.605 1.00 0.00 C ATOM 0 H PHE A 27 0.174 0.667 -8.284 1.00 0.00 H new ATOM 0 HA PHE A 27 2.716 1.649 -7.724 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.355 2.775 -7.749 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.207 2.221 -6.094 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.349 4.237 -8.374 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.258 3.492 -4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.507 6.322 -7.689 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.343 5.629 -3.606 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.460 7.047 -5.311 1.00 0.00 H new ATOM 421 N TYR A 28 1.477 -0.043 -5.160 1.00 0.00 N ATOM 422 CA TYR A 28 1.797 -0.798 -3.942 1.00 0.00 C ATOM 423 C TYR A 28 3.041 -1.678 -4.125 1.00 0.00 C ATOM 424 O TYR A 28 4.034 -1.463 -3.431 1.00 0.00 O ATOM 425 CB TYR A 28 0.566 -1.584 -3.450 1.00 0.00 C ATOM 426 CG TYR A 28 0.744 -3.061 -3.155 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.431 -3.459 -2.004 1.00 0.00 C ATOM 428 CD2 TYR A 28 0.232 -4.032 -4.026 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.695 -4.822 -1.791 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.475 -5.391 -3.794 1.00 0.00 C ATOM 431 CZ TYR A 28 1.234 -5.794 -2.692 1.00 0.00 C ATOM 432 OH TYR A 28 1.484 -7.110 -2.459 1.00 0.00 O ATOM 0 H TYR A 28 0.495 -0.121 -5.423 1.00 0.00 H new ATOM 0 HA TYR A 28 2.054 -0.088 -3.156 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.201 -1.102 -2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.218 -1.484 -4.201 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.756 -2.723 -1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.354 -3.730 -4.882 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.260 -5.126 -0.922 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.074 -6.132 -4.470 1.00 0.00 H new ATOM 0 HH TYR A 28 1.095 -7.649 -3.179 1.00 0.00 H new ATOM 442 N GLU A 29 3.023 -2.601 -5.100 1.00 0.00 N ATOM 443 CA GLU A 29 4.151 -3.514 -5.402 1.00 0.00 C ATOM 444 C GLU A 29 5.419 -2.793 -5.887 1.00 0.00 C ATOM 445 O GLU A 29 6.538 -3.165 -5.534 1.00 0.00 O ATOM 446 CB GLU A 29 3.734 -4.560 -6.454 1.00 0.00 C ATOM 447 CG GLU A 29 3.400 -5.928 -5.848 1.00 0.00 C ATOM 448 CD GLU A 29 3.759 -7.044 -6.821 1.00 0.00 C ATOM 449 OE1 GLU A 29 4.967 -7.342 -6.964 1.00 0.00 O ATOM 450 OE2 GLU A 29 2.835 -7.633 -7.427 1.00 0.00 O ATOM 0 H GLU A 29 2.218 -2.740 -5.711 1.00 0.00 H new ATOM 0 HA GLU A 29 4.397 -3.997 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.866 -4.190 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.540 -4.678 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.946 -6.062 -4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.338 -5.976 -5.606 1.00 0.00 H new ATOM 457 N ASN A 30 5.223 -1.756 -6.698 1.00 0.00 N ATOM 458 CA ASN A 30 6.295 -0.936 -7.288 1.00 0.00 C ATOM 459 C ASN A 30 7.011 -0.013 -6.276 1.00 0.00 C ATOM 460 O ASN A 30 8.187 0.314 -6.463 1.00 0.00 O ATOM 461 CB ASN A 30 5.767 -0.117 -8.478 1.00 0.00 C ATOM 462 CG ASN A 30 5.795 -0.919 -9.772 1.00 0.00 C ATOM 463 OD1 ASN A 30 6.631 -0.693 -10.639 1.00 0.00 O ATOM 464 ND2 ASN A 30 4.921 -1.889 -9.940 1.00 0.00 N ATOM 0 H ASN A 30 4.291 -1.449 -6.975 1.00 0.00 H new ATOM 0 HA ASN A 30 7.047 -1.645 -7.636 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.747 0.206 -8.273 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.369 0.784 -8.595 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.940 -2.451 -10.791 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.225 -2.078 -9.219 1.00 0.00 H new ATOM 471 N ASP A 31 6.332 0.373 -5.192 1.00 0.00 N ATOM 472 CA ASP A 31 6.927 1.079 -4.048 1.00 0.00 C ATOM 473 C ASP A 31 7.610 0.064 -3.120 1.00 0.00 C ATOM 474 O ASP A 31 8.793 0.198 -2.804 1.00 0.00 O ATOM 475 CB ASP A 31 5.822 1.875 -3.308 1.00 0.00 C ATOM 476 CG ASP A 31 5.456 3.246 -3.938 1.00 0.00 C ATOM 477 OD1 ASP A 31 5.585 3.437 -5.172 1.00 0.00 O ATOM 478 OD2 ASP A 31 5.072 4.156 -3.165 1.00 0.00 O ATOM 0 H ASP A 31 5.333 0.201 -5.081 1.00 0.00 H new ATOM 0 HA ASP A 31 7.684 1.785 -4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.922 1.262 -3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.144 2.041 -2.280 1.00 0.00 H new ATOM 483 N VAL A 32 6.816 -0.959 -2.755 1.00 0.00 N ATOM 484 CA VAL A 32 7.091 -2.011 -1.740 1.00 0.00 C ATOM 485 C VAL A 32 5.954 -3.034 -1.450 1.00 0.00 C ATOM 486 O VAL A 32 5.540 -3.778 -2.343 1.00 0.00 O ATOM 487 CB VAL A 32 7.604 -1.334 -0.437 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.482 -0.451 0.147 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.282 -2.297 0.555 1.00 0.00 C ATOM 0 H VAL A 32 5.901 -1.088 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 32 7.856 -2.646 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 32 8.436 -0.676 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.834 0.027 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.205 0.313 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.613 -1.069 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.609 -1.742 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.573 -3.068 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.144 -2.763 0.078 1.00 0.00 H new ATOM 499 N THR A 33 5.496 -3.132 -0.194 1.00 0.00 N ATOM 500 CA THR A 33 4.570 -4.109 0.363 1.00 0.00 C ATOM 501 C THR A 33 3.442 -3.454 1.180 1.00 0.00 C ATOM 502 O THR A 33 2.337 -3.969 1.135 1.00 0.00 O ATOM 503 CB THR A 33 5.341 -5.034 1.323 1.00 0.00 C ATOM 504 OG1 THR A 33 6.396 -5.707 0.654 1.00 0.00 O ATOM 505 CG2 THR A 33 4.486 -6.078 2.054 1.00 0.00 C ATOM 0 H THR A 33 5.796 -2.465 0.517 1.00 0.00 H new ATOM 0 HA THR A 33 4.131 -4.648 -0.477 1.00 0.00 H new ATOM 0 HB THR A 33 5.727 -4.354 2.082 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.869 -6.286 1.288 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.122 -6.678 2.705 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.728 -5.573 2.653 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.000 -6.725 1.324 1.00 0.00 H new ATOM 513 N TYR A 34 3.648 -2.340 1.905 1.00 0.00 N ATOM 514 CA TYR A 34 2.656 -1.625 2.734 1.00 0.00 C ATOM 515 C TYR A 34 3.293 -0.531 3.618 1.00 0.00 C ATOM 516 O TYR A 34 3.344 0.618 3.195 1.00 0.00 O ATOM 517 CB TYR A 34 1.726 -2.526 3.541 1.00 0.00 C ATOM 518 CG TYR A 34 0.861 -1.757 4.513 1.00 0.00 C ATOM 519 CD1 TYR A 34 -0.136 -0.875 4.059 1.00 0.00 C ATOM 520 CD2 TYR A 34 1.093 -1.898 5.886 1.00 0.00 C ATOM 521 CE1 TYR A 34 -0.945 -0.190 4.985 1.00 0.00 C ATOM 522 CE2 TYR A 34 0.279 -1.223 6.817 1.00 0.00 C ATOM 523 CZ TYR A 34 -0.749 -0.378 6.363 1.00 0.00 C ATOM 524 OH TYR A 34 -1.560 0.259 7.252 1.00 0.00 O ATOM 0 H TYR A 34 4.562 -1.888 1.931 1.00 0.00 H new ATOM 0 HA TYR A 34 2.015 -1.131 2.004 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.087 -3.086 2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.321 -3.255 4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.281 -0.723 3.000 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.899 -2.527 6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.717 0.480 4.636 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.444 -1.354 7.876 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.294 0.023 8.165 1.00 0.00 H new ATOM 534 N GLU A 35 3.816 -0.868 4.809 1.00 0.00 N ATOM 535 CA GLU A 35 4.296 0.123 5.814 1.00 0.00 C ATOM 536 C GLU A 35 5.397 1.039 5.283 1.00 0.00 C ATOM 537 O GLU A 35 5.417 2.230 5.582 1.00 0.00 O ATOM 538 CB GLU A 35 4.806 -0.549 7.102 1.00 0.00 C ATOM 539 CG GLU A 35 3.702 -0.703 8.143 1.00 0.00 C ATOM 540 CD GLU A 35 4.228 -1.412 9.382 1.00 0.00 C ATOM 541 OE1 GLU A 35 4.956 -0.773 10.176 1.00 0.00 O ATOM 542 OE2 GLU A 35 3.899 -2.605 9.569 1.00 0.00 O ATOM 0 H GLU A 35 3.922 -1.836 5.112 1.00 0.00 H new ATOM 0 HA GLU A 35 3.417 0.727 6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.216 -1.530 6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.620 0.043 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.313 0.278 8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.872 -1.268 7.719 1.00 0.00 H new ATOM 549 N ARG A 36 6.267 0.483 4.442 1.00 0.00 N ATOM 550 CA ARG A 36 7.258 1.241 3.672 1.00 0.00 C ATOM 551 C ARG A 36 6.593 2.305 2.759 1.00 0.00 C ATOM 552 O ARG A 36 6.947 3.480 2.847 1.00 0.00 O ATOM 553 CB ARG A 36 8.127 0.258 2.865 1.00 0.00 C ATOM 554 CG ARG A 36 9.531 -0.068 3.403 1.00 0.00 C ATOM 555 CD ARG A 36 10.628 0.435 2.446 1.00 0.00 C ATOM 556 NE ARG A 36 11.888 -0.313 2.626 1.00 0.00 N ATOM 557 CZ ARG A 36 12.453 -1.164 1.780 1.00 0.00 C ATOM 558 NH1 ARG A 36 11.961 -1.436 0.599 1.00 0.00 N ATOM 559 NH2 ARG A 36 13.555 -1.777 2.111 1.00 0.00 N ATOM 0 H ARG A 36 6.306 -0.522 4.272 1.00 0.00 H new ATOM 0 HA ARG A 36 7.894 1.794 4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.577 -0.679 2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.239 0.660 1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.663 0.390 4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.630 -1.145 3.539 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.288 0.334 1.415 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.806 1.496 2.620 1.00 0.00 H new ATOM 0 HE ARG A 36 12.382 -0.157 3.504 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.101 -0.985 0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.438 -2.100 -0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.982 -1.602 3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.990 -2.432 1.461 1.00 0.00 H new ATOM 573 N TYR A 37 5.619 1.941 1.900 1.00 0.00 N ATOM 574 CA TYR A 37 4.963 2.907 1.004 1.00 0.00 C ATOM 575 C TYR A 37 4.169 3.935 1.797 1.00 0.00 C ATOM 576 O TYR A 37 4.215 5.103 1.449 1.00 0.00 O ATOM 577 CB TYR A 37 4.104 2.282 -0.115 1.00 0.00 C ATOM 578 CG TYR A 37 2.612 2.058 0.161 1.00 0.00 C ATOM 579 CD1 TYR A 37 1.741 3.151 0.298 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.099 0.758 0.259 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.417 2.958 0.684 1.00 0.00 C ATOM 582 CE2 TYR A 37 0.763 0.560 0.651 1.00 0.00 C ATOM 583 CZ TYR A 37 -0.059 1.665 0.932 1.00 0.00 C ATOM 584 OH TYR A 37 -1.299 1.472 1.457 1.00 0.00 O ATOM 0 H TYR A 37 5.272 0.986 1.810 1.00 0.00 H new ATOM 0 HA TYR A 37 5.780 3.405 0.482 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.188 2.919 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.544 1.319 -0.375 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.101 4.150 0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.728 -0.090 0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.243 3.806 0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.368 -0.442 0.736 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.464 0.512 1.561 1.00 0.00 H new ATOM 594 N LEU A 38 3.471 3.532 2.864 1.00 0.00 N ATOM 595 CA LEU A 38 2.768 4.438 3.775 1.00 0.00 C ATOM 596 C LEU A 38 3.721 5.532 4.288 1.00 0.00 C ATOM 597 O LEU A 38 3.395 6.710 4.204 1.00 0.00 O ATOM 598 CB LEU A 38 2.133 3.574 4.885 1.00 0.00 C ATOM 599 CG LEU A 38 1.542 4.305 6.111 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.606 3.344 6.853 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.617 4.784 7.095 1.00 0.00 C ATOM 0 H LEU A 38 3.378 2.550 3.122 1.00 0.00 H new ATOM 0 HA LEU A 38 1.967 4.982 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.339 2.978 4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.891 2.877 5.243 1.00 0.00 H new ATOM 0 HG LEU A 38 1.014 5.184 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.182 3.848 7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.198 3.031 6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.168 2.469 7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.142 5.290 7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.183 3.927 7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.291 5.476 6.589 1.00 0.00 H new ATOM 613 N GLU A 39 4.911 5.137 4.748 1.00 0.00 N ATOM 614 CA GLU A 39 5.969 6.078 5.186 1.00 0.00 C ATOM 615 C GLU A 39 6.404 7.050 4.080 1.00 0.00 C ATOM 616 O GLU A 39 6.540 8.246 4.333 1.00 0.00 O ATOM 617 CB GLU A 39 7.207 5.372 5.768 1.00 0.00 C ATOM 618 CG GLU A 39 7.267 5.527 7.289 1.00 0.00 C ATOM 619 CD GLU A 39 8.681 5.266 7.791 1.00 0.00 C ATOM 620 OE1 GLU A 39 9.122 4.096 7.777 1.00 0.00 O ATOM 621 OE2 GLU A 39 9.348 6.241 8.212 1.00 0.00 O ATOM 0 H GLU A 39 5.178 4.156 4.831 1.00 0.00 H new ATOM 0 HA GLU A 39 5.501 6.654 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.181 4.314 5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.110 5.788 5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.953 6.532 7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.572 4.832 7.760 1.00 0.00 H new ATOM 628 N ILE A 40 6.573 6.563 2.849 1.00 0.00 N ATOM 629 CA ILE A 40 6.990 7.374 1.687 1.00 0.00 C ATOM 630 C ILE A 40 5.863 8.319 1.186 1.00 0.00 C ATOM 631 O ILE A 40 6.123 9.475 0.848 1.00 0.00 O ATOM 632 CB ILE A 40 7.511 6.442 0.561 1.00 0.00 C ATOM 633 CG1 ILE A 40 8.773 5.652 1.000 1.00 0.00 C ATOM 634 CG2 ILE A 40 7.857 7.260 -0.700 1.00 0.00 C ATOM 635 CD1 ILE A 40 9.014 4.380 0.172 1.00 0.00 C ATOM 0 H ILE A 40 6.424 5.580 2.621 1.00 0.00 H new ATOM 0 HA ILE A 40 7.802 8.029 2.003 1.00 0.00 H new ATOM 0 HB ILE A 40 6.712 5.733 0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.645 6.301 0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.675 5.380 2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.221 6.591 -1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.966 7.778 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.630 7.990 -0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.911 3.876 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.158 3.713 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.144 4.648 -0.877 1.00 0.00 H new ATOM 647 N LEU A 41 4.609 7.866 1.177 1.00 0.00 N ATOM 648 CA LEU A 41 3.409 8.627 0.803 1.00 0.00 C ATOM 649 C LEU A 41 3.079 9.709 1.848 1.00 0.00 C ATOM 650 O LEU A 41 2.800 10.851 1.499 1.00 0.00 O ATOM 651 CB LEU A 41 2.200 7.673 0.634 1.00 0.00 C ATOM 652 CG LEU A 41 1.922 7.107 -0.778 1.00 0.00 C ATOM 653 CD1 LEU A 41 0.603 6.329 -0.761 1.00 0.00 C ATOM 654 CD2 LEU A 41 1.780 8.213 -1.828 1.00 0.00 C ATOM 0 H LEU A 41 4.388 6.907 1.444 1.00 0.00 H new ATOM 0 HA LEU A 41 3.614 9.123 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.341 6.831 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.306 8.202 0.965 1.00 0.00 H new ATOM 0 HG LEU A 41 2.769 6.472 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.404 5.929 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.674 5.509 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.209 6.995 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.586 7.766 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.952 8.868 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.702 8.793 -1.872 1.00 0.00 H new ATOM 666 N LYS A 42 3.147 9.387 3.142 1.00 0.00 N ATOM 667 CA LYS A 42 2.988 10.361 4.234 1.00 0.00 C ATOM 668 C LYS A 42 4.016 11.516 4.139 1.00 0.00 C ATOM 669 O LYS A 42 3.698 12.676 4.411 1.00 0.00 O ATOM 670 CB LYS A 42 3.108 9.638 5.584 1.00 0.00 C ATOM 671 CG LYS A 42 2.433 10.425 6.719 1.00 0.00 C ATOM 672 CD LYS A 42 0.948 10.034 6.868 1.00 0.00 C ATOM 673 CE LYS A 42 0.032 11.222 7.195 1.00 0.00 C ATOM 674 NZ LYS A 42 -0.260 12.047 6.000 1.00 0.00 N ATOM 0 H LYS A 42 3.315 8.435 3.468 1.00 0.00 H new ATOM 0 HA LYS A 42 1.999 10.811 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.654 8.650 5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.161 9.488 5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.956 10.236 7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.511 11.494 6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.609 9.568 5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.855 9.286 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.903 10.853 7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.503 11.843 7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.881 12.837 6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.629 12.422 5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.733 11.462 5.282 1.00 0.00 H new ATOM 688 N SER A 43 5.230 11.169 3.705 1.00 0.00 N ATOM 689 CA SER A 43 6.268 12.141 3.336 1.00 0.00 C ATOM 690 C SER A 43 5.801 13.022 2.148 1.00 0.00 C ATOM 691 O SER A 43 5.645 14.238 2.296 1.00 0.00 O ATOM 692 CB SER A 43 7.619 11.456 3.067 1.00 0.00 C ATOM 693 OG SER A 43 8.371 11.379 4.271 1.00 0.00 O ATOM 0 H SER A 43 5.525 10.198 3.598 1.00 0.00 H new ATOM 0 HA SER A 43 6.428 12.805 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.456 10.456 2.665 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.176 12.014 2.315 1.00 0.00 H new ATOM 0 HG SER A 43 9.229 10.940 4.093 1.00 0.00 H new ATOM 699 N LYS A 44 5.496 12.423 0.990 1.00 0.00 N ATOM 700 CA LYS A 44 4.868 13.103 -0.155 1.00 0.00 C ATOM 701 C LYS A 44 3.354 13.400 -0.004 1.00 0.00 C ATOM 702 O LYS A 44 2.498 12.738 -0.602 1.00 0.00 O ATOM 703 CB LYS A 44 5.142 12.334 -1.467 1.00 0.00 C ATOM 704 CG LYS A 44 6.393 12.808 -2.218 1.00 0.00 C ATOM 705 CD LYS A 44 6.241 12.418 -3.701 1.00 0.00 C ATOM 706 CE LYS A 44 7.588 12.201 -4.388 1.00 0.00 C ATOM 707 NZ LYS A 44 7.414 11.614 -5.735 1.00 0.00 N ATOM 0 H LYS A 44 5.681 11.435 0.817 1.00 0.00 H new ATOM 0 HA LYS A 44 5.344 14.083 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.248 11.273 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.277 12.435 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.510 13.887 -2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.287 12.350 -1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.648 11.507 -3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.691 13.200 -4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.115 13.152 -4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.208 11.543 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.345 11.478 -6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.932 10.696 -5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.842 12.255 -6.322 1.00 0.00 H new ATOM 721 N GLN A 45 2.997 14.480 0.698 1.00 0.00 N ATOM 722 CA GLN A 45 1.616 15.026 0.740 1.00 0.00 C ATOM 723 C GLN A 45 1.161 15.702 -0.588 1.00 0.00 C ATOM 724 O GLN A 45 0.356 16.636 -0.586 1.00 0.00 O ATOM 725 CB GLN A 45 1.448 15.969 1.945 1.00 0.00 C ATOM 726 CG GLN A 45 1.672 15.240 3.277 1.00 0.00 C ATOM 727 CD GLN A 45 1.067 15.990 4.443 1.00 0.00 C ATOM 728 OE1 GLN A 45 0.132 15.522 5.081 1.00 0.00 O ATOM 729 NE2 GLN A 45 1.567 17.168 4.753 1.00 0.00 N ATOM 0 H GLN A 45 3.658 15.013 1.263 1.00 0.00 H new ATOM 0 HA GLN A 45 0.951 14.171 0.863 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.153 16.796 1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.447 16.401 1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.236 14.243 3.222 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.741 15.111 3.444 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.346 17.549 4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.176 17.700 5.531 1.00 0.00 H new ATOM 738 N LYS A 46 1.694 15.264 -1.736 1.00 0.00 N ATOM 739 CA LYS A 46 1.398 15.776 -3.083 1.00 0.00 C ATOM 740 C LYS A 46 -0.087 15.631 -3.491 1.00 0.00 C ATOM 741 O LYS A 46 -0.618 16.479 -4.219 1.00 0.00 O ATOM 742 CB LYS A 46 2.281 15.017 -4.099 1.00 0.00 C ATOM 743 CG LYS A 46 2.718 15.904 -5.279 1.00 0.00 C ATOM 744 CD LYS A 46 4.144 16.451 -5.070 1.00 0.00 C ATOM 745 CE LYS A 46 4.498 17.590 -6.035 1.00 0.00 C ATOM 746 NZ LYS A 46 4.500 17.174 -7.457 1.00 0.00 N ATOM 0 H LYS A 46 2.377 14.506 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 46 1.613 16.845 -3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.165 14.632 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.732 14.156 -4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.679 15.328 -6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.020 16.734 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.244 16.807 -4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.860 15.639 -5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.785 18.404 -5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.482 17.983 -5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.746 17.987 -8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.199 16.417 -7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.556 16.825 -7.718 1.00 0.00 H new ATOM 760 N GLU A 47 -0.756 14.568 -3.017 1.00 0.00 N ATOM 761 CA GLU A 47 -2.161 14.212 -3.293 1.00 0.00 C ATOM 762 C GLU A 47 -2.884 13.817 -2.003 1.00 0.00 C ATOM 763 O GLU A 47 -3.856 14.515 -1.643 1.00 0.00 O ATOM 764 CB GLU A 47 -2.246 13.093 -4.349 1.00 0.00 C ATOM 765 CG GLU A 47 -3.620 13.063 -5.018 1.00 0.00 C ATOM 766 CD GLU A 47 -3.703 11.931 -6.032 1.00 0.00 C ATOM 767 OE1 GLU A 47 -3.996 10.784 -5.623 1.00 0.00 O ATOM 768 OE2 GLU A 47 -3.498 12.195 -7.238 1.00 0.00 O ATOM 769 OXT GLU A 47 -2.451 12.851 -1.339 1.00 0.00 O ATOM 0 H GLU A 47 -0.308 13.895 -2.396 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.663 15.090 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.475 13.244 -5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.047 12.130 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.395 12.937 -4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.809 14.015 -5.513 1.00 0.00 H new TER 776 GLU A 47