USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 434 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 48 THR OG1 : rot 86:sc= 0.0604 USER MOD Set 1.2: A 50 THR OG1 : rot -91:sc= 1.27 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.0485 K(o=0.19,f=-1.4!) USER MOD Set 2.2: A 33 TYR OH : rot -85:sc= 0.144 USER MOD Set 3.1: A 8 TYR OH : rot 62:sc= -3.08! USER MOD Set 3.2: A 16 TYR OH : rot 127:sc= -0.814! USER MOD Set 4.1: A 6 LYS NZ :NH3+ -122:sc= -0.295 (180deg=0) USER MOD Set 4.2: A 51 HIS : no HD1:sc= -0.429 X(o=-0.72,f=-0.32) USER MOD Single : A 4 MET CE :methyl 125:sc= -0.17 (180deg=-0.907) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -32:sc= 0.436 USER MOD Single : A 34 ASN : amide:sc= -8.18! C(o=-8.2!,f=-16!) USER MOD Single : A 35 ASN : amide:sc= -7.21! C(o=-7.2!,f=-21!) USER MOD Single : A 38 MET CE :methyl -138:sc= -0.117 (180deg=-1.02) USER MOD Single : A 41 HIS : no HD1:sc= -0.639 K(o=-0.64,f=-5.2!) USER MOD Single : A 43 ASN : amide:sc= -5.32 X(o=-5.3,f=-5.7!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc= -0.0293 K(o=-0.029,f=-1.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00502 USER MOD Single : A 57 LYS NZ :NH3+ 154:sc= -0.0558 (180deg=-0.567) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 4.272 -30.091 2.899 1.00 0.00 N ATOM 42 CA MET A 4 4.198 -31.031 1.748 1.00 0.00 C ATOM 43 C MET A 4 5.364 -30.745 0.802 1.00 0.00 C ATOM 44 O MET A 4 5.890 -31.633 0.160 1.00 0.00 O ATOM 45 CB MET A 4 2.871 -30.831 1.012 1.00 0.00 C ATOM 46 CG MET A 4 1.715 -31.061 1.987 1.00 0.00 C ATOM 47 SD MET A 4 0.154 -31.122 1.074 1.00 0.00 S ATOM 48 CE MET A 4 0.385 -32.759 0.338 1.00 0.00 C ATOM 0 HA MET A 4 4.257 -32.060 2.102 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.819 -29.824 0.599 1.00 0.00 H new ATOM 0 HB3 MET A 4 2.799 -31.524 0.174 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.866 -31.993 2.532 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.685 -30.260 2.726 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.466 -33.393 0.586 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.462 -32.663 -0.745 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.298 -33.208 0.729 1.00 0.00 H new ATOM 58 N CYS A 5 5.778 -29.511 0.720 1.00 0.00 N ATOM 59 CA CYS A 5 6.916 -29.164 -0.173 1.00 0.00 C ATOM 60 C CYS A 5 8.233 -29.509 0.531 1.00 0.00 C ATOM 61 O CYS A 5 9.300 -29.416 -0.041 1.00 0.00 O ATOM 62 CB CYS A 5 6.872 -27.668 -0.490 1.00 0.00 C ATOM 63 SG CYS A 5 5.216 -27.225 -1.070 1.00 0.00 S ATOM 0 H CYS A 5 5.376 -28.727 1.234 1.00 0.00 H new ATOM 0 HA CYS A 5 6.845 -29.730 -1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.125 -27.089 0.398 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.613 -27.424 -1.251 1.00 0.00 H new ATOM 68 N LYS A 6 8.168 -29.907 1.773 1.00 0.00 N ATOM 69 CA LYS A 6 9.418 -30.259 2.505 1.00 0.00 C ATOM 70 C LYS A 6 9.852 -31.687 2.148 1.00 0.00 C ATOM 71 O LYS A 6 10.699 -32.264 2.800 1.00 0.00 O ATOM 72 CB LYS A 6 9.173 -30.162 4.013 1.00 0.00 C ATOM 73 CG LYS A 6 8.788 -28.725 4.371 1.00 0.00 C ATOM 74 CD LYS A 6 9.002 -28.493 5.868 1.00 0.00 C ATOM 75 CE LYS A 6 8.593 -27.063 6.224 1.00 0.00 C ATOM 76 NZ LYS A 6 9.277 -26.648 7.481 1.00 0.00 N ATOM 0 H LYS A 6 7.307 -30.003 2.311 1.00 0.00 H new ATOM 0 HA LYS A 6 10.207 -29.564 2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.379 -30.848 4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.069 -30.457 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.390 -28.022 3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.746 -28.541 4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.413 -29.206 6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.048 -28.659 6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.858 -26.385 5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.512 -27.003 6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.566 -26.381 8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.848 -27.439 7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.896 -25.835 7.287 1.00 0.00 H new ATOM 90 N ASP A 7 9.274 -32.269 1.129 1.00 0.00 N ATOM 91 CA ASP A 7 9.662 -33.662 0.759 1.00 0.00 C ATOM 92 C ASP A 7 9.904 -33.766 -0.751 1.00 0.00 C ATOM 93 O ASP A 7 10.091 -34.843 -1.280 1.00 0.00 O ATOM 94 CB ASP A 7 8.541 -34.622 1.158 1.00 0.00 C ATOM 95 CG ASP A 7 8.393 -34.624 2.681 1.00 0.00 C ATOM 96 OD1 ASP A 7 9.307 -34.168 3.346 1.00 0.00 O ATOM 97 OD2 ASP A 7 7.366 -35.083 3.154 1.00 0.00 O ATOM 0 H ASP A 7 8.556 -31.844 0.542 1.00 0.00 H new ATOM 0 HA ASP A 7 10.581 -33.923 1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.604 -34.319 0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.764 -35.628 0.802 1.00 0.00 H new ATOM 102 N TYR A 8 9.903 -32.665 -1.453 1.00 0.00 N ATOM 103 CA TYR A 8 10.136 -32.730 -2.925 1.00 0.00 C ATOM 104 C TYR A 8 11.550 -32.234 -3.244 1.00 0.00 C ATOM 105 O TYR A 8 12.321 -31.908 -2.363 1.00 0.00 O ATOM 106 CB TYR A 8 9.094 -31.862 -3.655 1.00 0.00 C ATOM 107 CG TYR A 8 9.550 -30.419 -3.693 1.00 0.00 C ATOM 108 CD1 TYR A 8 10.374 -29.971 -4.733 1.00 0.00 C ATOM 109 CD2 TYR A 8 9.160 -29.537 -2.682 1.00 0.00 C ATOM 110 CE1 TYR A 8 10.806 -28.640 -4.760 1.00 0.00 C ATOM 111 CE2 TYR A 8 9.594 -28.206 -2.708 1.00 0.00 C ATOM 112 CZ TYR A 8 10.416 -27.757 -3.748 1.00 0.00 C ATOM 113 OH TYR A 8 10.845 -26.446 -3.774 1.00 0.00 O ATOM 0 H TYR A 8 9.752 -31.730 -1.075 1.00 0.00 H new ATOM 0 HA TYR A 8 10.036 -33.762 -3.263 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.949 -32.232 -4.670 1.00 0.00 H new ATOM 0 HB3 TYR A 8 8.131 -31.934 -3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.676 -30.653 -5.514 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.524 -29.882 -1.880 1.00 0.00 H new ATOM 0 HE1 TYR A 8 11.441 -28.295 -5.563 1.00 0.00 H new ATOM 0 HE2 TYR A 8 9.294 -27.525 -1.925 1.00 0.00 H new ATOM 0 HH TYR A 8 10.511 -26.009 -4.585 1.00 0.00 H new ATOM 123 N ARG A 9 11.888 -32.163 -4.502 1.00 0.00 N ATOM 124 CA ARG A 9 13.241 -31.676 -4.888 1.00 0.00 C ATOM 125 C ARG A 9 13.165 -31.028 -6.271 1.00 0.00 C ATOM 126 O ARG A 9 12.445 -31.480 -7.139 1.00 0.00 O ATOM 127 CB ARG A 9 14.223 -32.845 -4.927 1.00 0.00 C ATOM 128 CG ARG A 9 15.645 -32.318 -4.716 1.00 0.00 C ATOM 129 CD ARG A 9 16.652 -33.447 -4.942 1.00 0.00 C ATOM 130 NE ARG A 9 18.001 -32.866 -5.202 1.00 0.00 N ATOM 131 CZ ARG A 9 19.007 -33.178 -4.430 1.00 0.00 C ATOM 132 NH1 ARG A 9 19.312 -32.415 -3.415 1.00 0.00 N ATOM 133 NH2 ARG A 9 19.709 -34.251 -4.672 1.00 0.00 N ATOM 0 H ARG A 9 11.283 -32.422 -5.281 1.00 0.00 H new ATOM 0 HA ARG A 9 13.585 -30.946 -4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.973 -33.571 -4.153 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.153 -33.362 -5.884 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.845 -31.497 -5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.750 -31.921 -3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.687 -34.098 -4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.341 -34.063 -5.786 1.00 0.00 H new ATOM 0 HE ARG A 9 18.138 -32.225 -5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.764 -31.576 -3.225 1.00 0.00 H new ATOM 0 HH12 ARG A 9 20.098 -32.659 -2.812 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.472 -34.847 -5.465 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.495 -34.493 -4.068 1.00 0.00 H new ATOM 147 N VAL A 10 13.899 -29.973 -6.481 1.00 0.00 N ATOM 148 CA VAL A 10 13.865 -29.297 -7.806 1.00 0.00 C ATOM 149 C VAL A 10 15.266 -28.784 -8.149 1.00 0.00 C ATOM 150 O VAL A 10 16.043 -28.443 -7.281 1.00 0.00 O ATOM 151 CB VAL A 10 12.876 -28.127 -7.749 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.146 -27.157 -8.903 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.448 -28.666 -7.868 1.00 0.00 C ATOM 0 H VAL A 10 14.521 -29.549 -5.793 1.00 0.00 H new ATOM 0 HA VAL A 10 13.545 -30.000 -8.575 1.00 0.00 H new ATOM 0 HB VAL A 10 12.997 -27.601 -6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.439 -26.329 -8.855 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.162 -26.771 -8.824 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.029 -27.679 -9.852 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.742 -27.837 -7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.336 -29.193 -8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.249 -29.353 -7.045 1.00 0.00 H new ATOM 163 N LEU A 11 15.593 -28.733 -9.410 1.00 0.00 N ATOM 164 CA LEU A 11 16.942 -28.248 -9.813 1.00 0.00 C ATOM 165 C LEU A 11 16.793 -27.088 -10.799 1.00 0.00 C ATOM 166 O LEU A 11 15.701 -26.748 -11.209 1.00 0.00 O ATOM 167 CB LEU A 11 17.709 -29.391 -10.480 1.00 0.00 C ATOM 168 CG LEU A 11 18.825 -29.864 -9.548 1.00 0.00 C ATOM 169 CD1 LEU A 11 18.247 -30.840 -8.522 1.00 0.00 C ATOM 170 CD2 LEU A 11 19.911 -30.566 -10.366 1.00 0.00 C ATOM 0 H LEU A 11 14.983 -29.007 -10.180 1.00 0.00 H new ATOM 0 HA LEU A 11 17.487 -27.906 -8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 11 17.033 -30.216 -10.704 1.00 0.00 H new ATOM 0 HB3 LEU A 11 18.129 -29.057 -11.429 1.00 0.00 H new ATOM 0 HG LEU A 11 19.258 -29.007 -9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.040 -31.179 -7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.473 -30.340 -7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.815 -31.697 -9.038 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.706 -30.903 -9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.480 -31.425 -10.881 1.00 0.00 H new ATOM 0 HD23 LEU A 11 20.321 -29.871 -11.099 1.00 0.00 H new ATOM 182 N PRO A 12 17.919 -26.471 -11.188 1.00 0.00 N ATOM 183 CA PRO A 12 17.920 -25.345 -12.134 1.00 0.00 C ATOM 184 C PRO A 12 17.475 -25.779 -13.532 1.00 0.00 C ATOM 185 O PRO A 12 17.044 -24.975 -14.335 1.00 0.00 O ATOM 186 CB PRO A 12 19.383 -24.905 -12.163 1.00 0.00 C ATOM 187 CG PRO A 12 20.143 -26.122 -11.758 1.00 0.00 C ATOM 188 CD PRO A 12 19.282 -26.817 -10.745 1.00 0.00 C ATOM 0 HA PRO A 12 17.230 -24.556 -11.834 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.676 -24.565 -13.156 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.563 -24.077 -11.477 1.00 0.00 H new ATOM 0 HG2 PRO A 12 20.337 -26.766 -12.616 1.00 0.00 H new ATOM 0 HG3 PRO A 12 21.111 -25.856 -11.333 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.447 -27.895 -10.744 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.481 -26.464 -9.733 1.00 0.00 H new ATOM 196 N ARG A 13 17.579 -27.044 -13.828 1.00 0.00 N ATOM 197 CA ARG A 13 17.164 -27.531 -15.172 1.00 0.00 C ATOM 198 C ARG A 13 15.764 -28.146 -15.087 1.00 0.00 C ATOM 199 O ARG A 13 15.096 -28.332 -16.084 1.00 0.00 O ATOM 200 CB ARG A 13 18.159 -28.586 -15.662 1.00 0.00 C ATOM 201 CG ARG A 13 17.724 -29.097 -17.037 1.00 0.00 C ATOM 202 CD ARG A 13 18.517 -30.356 -17.392 1.00 0.00 C ATOM 203 NE ARG A 13 18.169 -30.783 -18.776 1.00 0.00 N ATOM 204 CZ ARG A 13 18.750 -31.826 -19.304 1.00 0.00 C ATOM 205 NH1 ARG A 13 19.794 -31.673 -20.072 1.00 0.00 N ATOM 206 NH2 ARG A 13 18.288 -33.022 -19.061 1.00 0.00 N ATOM 0 H ARG A 13 17.934 -27.762 -13.197 1.00 0.00 H new ATOM 0 HA ARG A 13 17.148 -26.695 -15.871 1.00 0.00 H new ATOM 0 HB2 ARG A 13 19.160 -28.158 -15.721 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.207 -29.413 -14.953 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.656 -29.317 -17.033 1.00 0.00 H new ATOM 0 HG3 ARG A 13 17.888 -28.327 -17.791 1.00 0.00 H new ATOM 0 HD2 ARG A 13 19.586 -30.159 -17.318 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.290 -31.154 -16.685 1.00 0.00 H new ATOM 0 HE ARG A 13 17.476 -30.260 -19.312 1.00 0.00 H new ATOM 0 HH11 ARG A 13 20.156 -30.738 -20.260 1.00 0.00 H new ATOM 0 HH12 ARG A 13 20.248 -32.488 -20.484 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.473 -33.141 -18.459 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.741 -33.837 -19.473 1.00 0.00 H new ATOM 220 N ILE A 14 15.311 -28.464 -13.904 1.00 0.00 N ATOM 221 CA ILE A 14 13.953 -29.068 -13.769 1.00 0.00 C ATOM 222 C ILE A 14 12.930 -27.970 -13.468 1.00 0.00 C ATOM 223 O ILE A 14 11.899 -27.880 -14.104 1.00 0.00 O ATOM 224 CB ILE A 14 13.953 -30.087 -12.628 1.00 0.00 C ATOM 225 CG1 ILE A 14 14.907 -31.235 -12.968 1.00 0.00 C ATOM 226 CG2 ILE A 14 12.538 -30.638 -12.438 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.496 -31.866 -14.299 1.00 0.00 C ATOM 0 H ILE A 14 15.819 -28.333 -13.029 1.00 0.00 H new ATOM 0 HA ILE A 14 13.689 -29.567 -14.701 1.00 0.00 H new ATOM 0 HB ILE A 14 14.282 -29.603 -11.708 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.930 -30.865 -13.030 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.887 -31.985 -12.177 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.536 -31.364 -11.625 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.859 -29.821 -12.196 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.209 -31.122 -13.358 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.176 -32.683 -14.540 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.479 -32.251 -14.220 1.00 0.00 H new ATOM 0 HD13 ILE A 14 14.539 -31.114 -15.087 1.00 0.00 H new ATOM 239 N GLY A 15 13.205 -27.136 -12.502 1.00 0.00 N ATOM 240 CA GLY A 15 12.245 -26.047 -12.165 1.00 0.00 C ATOM 241 C GLY A 15 11.201 -26.569 -11.174 1.00 0.00 C ATOM 242 O GLY A 15 11.248 -27.707 -10.749 1.00 0.00 O ATOM 0 H GLY A 15 14.051 -27.162 -11.933 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.778 -25.199 -11.734 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.754 -25.688 -13.070 1.00 0.00 H new ATOM 246 N TYR A 16 10.261 -25.744 -10.801 1.00 0.00 N ATOM 247 CA TYR A 16 9.215 -26.187 -9.836 1.00 0.00 C ATOM 248 C TYR A 16 8.022 -26.769 -10.598 1.00 0.00 C ATOM 249 O TYR A 16 7.697 -26.338 -11.685 1.00 0.00 O ATOM 250 CB TYR A 16 8.747 -24.986 -9.009 1.00 0.00 C ATOM 251 CG TYR A 16 8.448 -25.426 -7.596 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.406 -26.327 -7.351 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.209 -24.928 -6.532 1.00 0.00 C ATOM 254 CE1 TYR A 16 7.124 -26.732 -6.041 1.00 0.00 C ATOM 255 CE2 TYR A 16 8.927 -25.332 -5.221 1.00 0.00 C ATOM 256 CZ TYR A 16 7.884 -26.235 -4.976 1.00 0.00 C ATOM 257 OH TYR A 16 7.606 -26.633 -3.684 1.00 0.00 O ATOM 0 H TYR A 16 10.172 -24.780 -11.124 1.00 0.00 H new ATOM 0 HA TYR A 16 9.632 -26.949 -9.178 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.516 -24.214 -9.004 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.857 -24.547 -9.459 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.819 -26.710 -8.173 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.013 -24.233 -6.722 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.320 -27.428 -5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.513 -24.948 -4.399 1.00 0.00 H new ATOM 0 HH TYR A 16 8.424 -26.969 -3.262 1.00 0.00 H new ATOM 267 N LEU A 17 7.367 -27.745 -10.032 1.00 0.00 N ATOM 268 CA LEU A 17 6.192 -28.356 -10.718 1.00 0.00 C ATOM 269 C LEU A 17 4.922 -28.064 -9.914 1.00 0.00 C ATOM 270 O LEU A 17 4.701 -28.625 -8.858 1.00 0.00 O ATOM 271 CB LEU A 17 6.394 -29.869 -10.823 1.00 0.00 C ATOM 272 CG LEU A 17 5.199 -30.495 -11.544 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.274 -30.169 -13.036 1.00 0.00 C ATOM 274 CD2 LEU A 17 5.227 -32.012 -11.353 1.00 0.00 C ATOM 0 H LEU A 17 7.595 -28.147 -9.123 1.00 0.00 H new ATOM 0 HA LEU A 17 6.093 -27.932 -11.717 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.314 -30.087 -11.365 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.500 -30.302 -9.828 1.00 0.00 H new ATOM 0 HG LEU A 17 4.274 -30.092 -11.130 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.422 -30.615 -13.549 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.255 -29.088 -13.174 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.199 -30.571 -13.450 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.376 -32.459 -11.866 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.152 -32.414 -11.766 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.173 -32.246 -10.290 1.00 0.00 H new ATOM 286 N CYS A 18 4.082 -27.193 -10.407 1.00 0.00 N ATOM 287 CA CYS A 18 2.826 -26.867 -9.673 1.00 0.00 C ATOM 288 C CYS A 18 1.622 -27.271 -10.525 1.00 0.00 C ATOM 289 O CYS A 18 1.709 -27.373 -11.733 1.00 0.00 O ATOM 290 CB CYS A 18 2.771 -25.363 -9.394 1.00 0.00 C ATOM 291 SG CYS A 18 4.216 -24.878 -8.421 1.00 0.00 S ATOM 0 H CYS A 18 4.212 -26.693 -11.287 1.00 0.00 H new ATOM 0 HA CYS A 18 2.805 -27.411 -8.729 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.748 -24.809 -10.332 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.856 -25.115 -8.855 1.00 0.00 H new ATOM 296 N PRO A 19 0.475 -27.505 -9.874 1.00 0.00 N ATOM 297 CA PRO A 19 -0.759 -27.899 -10.562 1.00 0.00 C ATOM 298 C PRO A 19 -1.365 -26.731 -11.340 1.00 0.00 C ATOM 299 O PRO A 19 -0.968 -25.594 -11.176 1.00 0.00 O ATOM 300 CB PRO A 19 -1.690 -28.307 -9.423 1.00 0.00 C ATOM 301 CG PRO A 19 -1.190 -27.554 -8.235 1.00 0.00 C ATOM 302 CD PRO A 19 0.295 -27.402 -8.417 1.00 0.00 C ATOM 0 HA PRO A 19 -0.588 -28.690 -11.292 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.725 -28.051 -9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.658 -29.383 -9.252 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.673 -26.580 -8.162 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.415 -28.091 -7.313 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.650 -26.445 -8.035 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.846 -28.180 -7.889 1.00 0.00 H new ATOM 310 N LYS A 20 -2.320 -26.997 -12.184 1.00 0.00 N ATOM 311 CA LYS A 20 -2.943 -25.895 -12.966 1.00 0.00 C ATOM 312 C LYS A 20 -4.159 -25.357 -12.211 1.00 0.00 C ATOM 313 O LYS A 20 -4.687 -24.310 -12.531 1.00 0.00 O ATOM 314 CB LYS A 20 -3.377 -26.421 -14.336 1.00 0.00 C ATOM 315 CG LYS A 20 -2.152 -26.934 -15.095 1.00 0.00 C ATOM 316 CD LYS A 20 -2.574 -27.401 -16.491 1.00 0.00 C ATOM 317 CE LYS A 20 -1.346 -27.896 -17.258 1.00 0.00 C ATOM 318 NZ LYS A 20 -1.662 -29.194 -17.920 1.00 0.00 N ATOM 0 H LYS A 20 -2.696 -27.928 -12.366 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.219 -25.092 -13.102 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.106 -27.222 -14.216 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.865 -25.629 -14.904 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.404 -26.145 -15.175 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.691 -27.757 -14.549 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.312 -28.199 -16.411 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.048 -26.582 -17.032 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.048 -27.159 -18.003 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.504 -28.019 -16.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.827 -29.530 -18.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.926 -29.896 -17.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.453 -29.063 -18.582 1.00 0.00 H new ATOM 332 N ASP A 21 -4.604 -26.061 -11.208 1.00 0.00 N ATOM 333 CA ASP A 21 -5.782 -25.585 -10.431 1.00 0.00 C ATOM 334 C ASP A 21 -5.409 -24.305 -9.682 1.00 0.00 C ATOM 335 O ASP A 21 -4.406 -24.243 -9.000 1.00 0.00 O ATOM 336 CB ASP A 21 -6.198 -26.661 -9.425 1.00 0.00 C ATOM 337 CG ASP A 21 -6.660 -27.911 -10.177 1.00 0.00 C ATOM 338 OD1 ASP A 21 -6.846 -27.818 -11.380 1.00 0.00 O ATOM 339 OD2 ASP A 21 -6.820 -28.937 -9.539 1.00 0.00 O ATOM 0 H ASP A 21 -4.203 -26.945 -10.893 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.611 -25.384 -11.110 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.361 -26.906 -8.771 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.001 -26.288 -8.789 1.00 0.00 H new ATOM 344 N LEU A 22 -6.205 -23.279 -9.806 1.00 0.00 N ATOM 345 CA LEU A 22 -5.891 -22.005 -9.102 1.00 0.00 C ATOM 346 C LEU A 22 -6.528 -22.019 -7.712 1.00 0.00 C ATOM 347 O LEU A 22 -7.729 -22.136 -7.572 1.00 0.00 O ATOM 348 CB LEU A 22 -6.445 -20.825 -9.906 1.00 0.00 C ATOM 349 CG LEU A 22 -5.935 -19.508 -9.312 1.00 0.00 C ATOM 350 CD1 LEU A 22 -6.655 -19.228 -7.991 1.00 0.00 C ATOM 351 CD2 LEU A 22 -4.430 -19.608 -9.061 1.00 0.00 C ATOM 0 H LEU A 22 -7.059 -23.268 -10.364 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.810 -21.902 -9.005 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.138 -20.907 -10.949 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.535 -20.843 -9.892 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.133 -18.696 -10.012 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.291 -18.291 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.728 -19.153 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.460 -20.040 -7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.069 -18.670 -8.638 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.231 -20.421 -8.363 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.916 -19.804 -10.002 1.00 0.00 H new ATOM 363 N LYS A 23 -5.735 -21.897 -6.681 1.00 0.00 N ATOM 364 CA LYS A 23 -6.305 -21.901 -5.303 1.00 0.00 C ATOM 365 C LYS A 23 -5.521 -20.926 -4.422 1.00 0.00 C ATOM 366 O LYS A 23 -4.391 -21.176 -4.056 1.00 0.00 O ATOM 367 CB LYS A 23 -6.217 -23.311 -4.714 1.00 0.00 C ATOM 368 CG LYS A 23 -7.178 -24.234 -5.465 1.00 0.00 C ATOM 369 CD LYS A 23 -6.998 -25.670 -4.968 1.00 0.00 C ATOM 370 CE LYS A 23 -8.230 -26.498 -5.344 1.00 0.00 C ATOM 371 NZ LYS A 23 -9.184 -26.521 -4.199 1.00 0.00 N ATOM 0 H LYS A 23 -4.721 -21.795 -6.733 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.350 -21.592 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.197 -23.687 -4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.468 -23.291 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.207 -23.910 -5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.986 -24.182 -6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.103 -26.109 -5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.858 -25.677 -3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.712 -26.072 -6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.933 -27.514 -5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.020 -27.084 -4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.721 -26.946 -3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.477 -25.549 -3.972 1.00 0.00 H new ATOM 385 N PRO A 24 -6.148 -19.788 -4.079 1.00 0.00 N ATOM 386 CA PRO A 24 -5.527 -18.751 -3.240 1.00 0.00 C ATOM 387 C PRO A 24 -5.290 -19.234 -1.808 1.00 0.00 C ATOM 388 O PRO A 24 -6.206 -19.636 -1.119 1.00 0.00 O ATOM 389 CB PRO A 24 -6.562 -17.623 -3.248 1.00 0.00 C ATOM 390 CG PRO A 24 -7.854 -18.312 -3.531 1.00 0.00 C ATOM 391 CD PRO A 24 -7.517 -19.424 -4.481 1.00 0.00 C ATOM 0 HA PRO A 24 -4.547 -18.456 -3.615 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.590 -17.102 -2.291 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.333 -16.878 -4.010 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.300 -18.700 -2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.577 -17.625 -3.972 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.205 -20.264 -4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.561 -19.097 -5.520 1.00 0.00 H new ATOM 399 N VAL A 25 -4.067 -19.197 -1.353 1.00 0.00 N ATOM 400 CA VAL A 25 -3.774 -19.652 0.036 1.00 0.00 C ATOM 401 C VAL A 25 -3.256 -18.476 0.861 1.00 0.00 C ATOM 402 O VAL A 25 -2.692 -17.536 0.337 1.00 0.00 O ATOM 403 CB VAL A 25 -2.700 -20.740 0.008 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.231 -21.977 -0.715 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.465 -20.214 -0.725 1.00 0.00 C ATOM 0 H VAL A 25 -3.258 -18.872 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.689 -20.046 0.480 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.435 -21.009 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.460 -22.748 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.111 -22.354 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.501 -21.713 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.698 -20.988 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.736 -19.943 -1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.080 -19.336 -0.206 1.00 0.00 H new ATOM 415 N CYS A 26 -3.425 -18.530 2.153 1.00 0.00 N ATOM 416 CA CYS A 26 -2.921 -17.423 3.011 1.00 0.00 C ATOM 417 C CYS A 26 -1.557 -17.825 3.572 1.00 0.00 C ATOM 418 O CYS A 26 -1.347 -18.953 3.962 1.00 0.00 O ATOM 419 CB CYS A 26 -3.899 -17.174 4.164 1.00 0.00 C ATOM 420 SG CYS A 26 -3.379 -15.711 5.095 1.00 0.00 S ATOM 0 H CYS A 26 -3.889 -19.290 2.650 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.829 -16.510 2.423 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.907 -17.031 3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.932 -18.043 4.821 1.00 0.00 H new ATOM 425 N GLY A 27 -0.626 -16.915 3.607 1.00 0.00 N ATOM 426 CA GLY A 27 0.726 -17.251 4.138 1.00 0.00 C ATOM 427 C GLY A 27 0.784 -16.922 5.632 1.00 0.00 C ATOM 428 O GLY A 27 0.267 -15.916 6.075 1.00 0.00 O ATOM 0 H GLY A 27 -0.741 -15.952 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.938 -18.308 3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.490 -16.688 3.601 1.00 0.00 H new ATOM 432 N ASP A 28 1.411 -17.762 6.410 1.00 0.00 N ATOM 433 CA ASP A 28 1.500 -17.491 7.874 1.00 0.00 C ATOM 434 C ASP A 28 2.414 -16.288 8.115 1.00 0.00 C ATOM 435 O ASP A 28 2.516 -15.785 9.217 1.00 0.00 O ATOM 436 CB ASP A 28 2.068 -18.720 8.588 1.00 0.00 C ATOM 437 CG ASP A 28 2.046 -18.487 10.101 1.00 0.00 C ATOM 438 OD1 ASP A 28 1.406 -17.540 10.526 1.00 0.00 O ATOM 439 OD2 ASP A 28 2.670 -19.262 10.808 1.00 0.00 O ATOM 0 H ASP A 28 1.864 -18.621 6.097 1.00 0.00 H new ATOM 0 HA ASP A 28 0.506 -17.274 8.265 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.481 -19.603 8.337 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.088 -18.909 8.253 1.00 0.00 H new ATOM 444 N ASP A 29 3.079 -15.818 7.094 1.00 0.00 N ATOM 445 CA ASP A 29 3.980 -14.645 7.267 1.00 0.00 C ATOM 446 C ASP A 29 3.178 -13.355 7.081 1.00 0.00 C ATOM 447 O ASP A 29 3.720 -12.268 7.108 1.00 0.00 O ATOM 448 CB ASP A 29 5.098 -14.701 6.224 1.00 0.00 C ATOM 449 CG ASP A 29 6.124 -15.758 6.631 1.00 0.00 C ATOM 450 OD1 ASP A 29 5.994 -16.293 7.720 1.00 0.00 O ATOM 451 OD2 ASP A 29 7.023 -16.016 5.848 1.00 0.00 O ATOM 0 H ASP A 29 3.036 -16.197 6.148 1.00 0.00 H new ATOM 0 HA ASP A 29 4.413 -14.665 8.267 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.684 -14.939 5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.579 -13.727 6.138 1.00 0.00 H new ATOM 456 N GLY A 30 1.892 -13.466 6.887 1.00 0.00 N ATOM 457 CA GLY A 30 1.060 -12.246 6.694 1.00 0.00 C ATOM 458 C GLY A 30 0.949 -11.947 5.198 1.00 0.00 C ATOM 459 O GLY A 30 0.597 -10.855 4.797 1.00 0.00 O ATOM 0 H GLY A 30 1.382 -14.349 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.069 -12.395 7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.508 -11.399 7.214 1.00 0.00 H new ATOM 463 N GLN A 31 1.249 -12.910 4.369 1.00 0.00 N ATOM 464 CA GLN A 31 1.162 -12.684 2.899 1.00 0.00 C ATOM 465 C GLN A 31 0.184 -13.686 2.282 1.00 0.00 C ATOM 466 O GLN A 31 -0.328 -14.561 2.951 1.00 0.00 O ATOM 467 CB GLN A 31 2.547 -12.870 2.276 1.00 0.00 C ATOM 468 CG GLN A 31 3.375 -11.600 2.481 1.00 0.00 C ATOM 469 CD GLN A 31 4.837 -11.880 2.124 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.155 -12.927 1.595 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.746 -10.982 2.394 1.00 0.00 N ATOM 0 H GLN A 31 1.551 -13.844 4.647 1.00 0.00 H new ATOM 0 HA GLN A 31 0.808 -11.671 2.707 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.051 -13.722 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.452 -13.087 1.212 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.985 -10.795 1.858 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.300 -11.267 3.516 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.479 -10.103 2.838 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.723 -11.159 2.161 1.00 0.00 H new ATOM 480 N THR A 32 -0.082 -13.563 1.010 1.00 0.00 N ATOM 481 CA THR A 32 -1.030 -14.506 0.348 1.00 0.00 C ATOM 482 C THR A 32 -0.436 -14.981 -0.979 1.00 0.00 C ATOM 483 O THR A 32 0.112 -14.206 -1.738 1.00 0.00 O ATOM 484 CB THR A 32 -2.355 -13.789 0.081 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.758 -13.089 1.249 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.423 -14.817 -0.297 1.00 0.00 C ATOM 0 H THR A 32 0.316 -12.850 0.399 1.00 0.00 H new ATOM 0 HA THR A 32 -1.201 -15.364 0.998 1.00 0.00 H new ATOM 0 HB THR A 32 -2.228 -13.081 -0.738 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.461 -13.580 2.043 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.367 -14.307 -0.487 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.112 -15.352 -1.194 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.552 -15.526 0.521 1.00 0.00 H new ATOM 494 N TYR A 33 -0.543 -16.249 -1.264 1.00 0.00 N ATOM 495 CA TYR A 33 0.011 -16.774 -2.544 1.00 0.00 C ATOM 496 C TYR A 33 -1.137 -17.270 -3.424 1.00 0.00 C ATOM 497 O TYR A 33 -1.965 -18.051 -3.001 1.00 0.00 O ATOM 498 CB TYR A 33 0.974 -17.925 -2.247 1.00 0.00 C ATOM 499 CG TYR A 33 2.069 -17.435 -1.330 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.799 -17.211 0.026 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.355 -17.202 -1.834 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.814 -16.754 0.876 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.368 -16.744 -0.985 1.00 0.00 C ATOM 504 CZ TYR A 33 4.098 -16.520 0.371 1.00 0.00 C ATOM 505 OH TYR A 33 5.098 -16.070 1.209 1.00 0.00 O ATOM 0 H TYR A 33 -0.990 -16.944 -0.666 1.00 0.00 H new ATOM 0 HA TYR A 33 0.549 -15.983 -3.066 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.438 -18.752 -1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.403 -18.304 -3.175 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.808 -17.391 0.416 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.565 -17.376 -2.879 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.606 -16.582 1.922 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.359 -16.563 -1.375 1.00 0.00 H new ATOM 0 HH TYR A 33 5.052 -15.093 1.278 1.00 0.00 H new ATOM 515 N ASN A 34 -1.194 -16.813 -4.644 1.00 0.00 N ATOM 516 CA ASN A 34 -2.293 -17.243 -5.553 1.00 0.00 C ATOM 517 C ASN A 34 -2.404 -18.772 -5.558 1.00 0.00 C ATOM 518 O ASN A 34 -3.249 -19.340 -4.898 1.00 0.00 O ATOM 519 CB ASN A 34 -2.004 -16.733 -6.969 1.00 0.00 C ATOM 520 CG ASN A 34 -3.222 -16.977 -7.859 1.00 0.00 C ATOM 521 OD1 ASN A 34 -4.196 -17.563 -7.430 1.00 0.00 O ATOM 522 ND2 ASN A 34 -3.209 -16.551 -9.092 1.00 0.00 N ATOM 0 H ASN A 34 -0.526 -16.159 -5.051 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.238 -16.827 -5.202 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.767 -15.669 -6.942 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.133 -17.243 -7.380 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.016 -16.710 -9.695 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.392 -16.059 -9.453 1.00 0.00 H new ATOM 529 N ASN A 35 -1.567 -19.442 -6.295 1.00 0.00 N ATOM 530 CA ASN A 35 -1.638 -20.932 -6.335 1.00 0.00 C ATOM 531 C ASN A 35 -0.932 -21.512 -5.106 1.00 0.00 C ATOM 532 O ASN A 35 0.002 -20.931 -4.588 1.00 0.00 O ATOM 533 CB ASN A 35 -0.971 -21.426 -7.623 1.00 0.00 C ATOM 534 CG ASN A 35 -0.609 -22.908 -7.508 1.00 0.00 C ATOM 535 OD1 ASN A 35 0.205 -23.285 -6.690 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.185 -23.768 -8.304 1.00 0.00 N ATOM 0 H ASN A 35 -0.836 -19.026 -6.872 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.678 -21.260 -6.323 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.643 -21.275 -8.468 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.073 -20.841 -7.821 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.951 -24.759 -8.239 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.869 -23.449 -8.991 1.00 0.00 H new ATOM 543 N PRO A 36 -1.393 -22.681 -4.629 1.00 0.00 N ATOM 544 CA PRO A 36 -0.811 -23.347 -3.453 1.00 0.00 C ATOM 545 C PRO A 36 0.644 -23.758 -3.691 1.00 0.00 C ATOM 546 O PRO A 36 1.529 -23.386 -2.945 1.00 0.00 O ATOM 547 CB PRO A 36 -1.698 -24.580 -3.265 1.00 0.00 C ATOM 548 CG PRO A 36 -2.277 -24.822 -4.617 1.00 0.00 C ATOM 549 CD PRO A 36 -2.511 -23.456 -5.193 1.00 0.00 C ATOM 0 HA PRO A 36 -0.785 -22.695 -2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.120 -25.437 -2.920 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.477 -24.401 -2.524 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.595 -25.401 -5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.207 -25.387 -4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.490 -23.465 -6.283 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.478 -23.050 -4.896 1.00 0.00 H new ATOM 557 N CYS A 37 0.909 -24.505 -4.726 1.00 0.00 N ATOM 558 CA CYS A 37 2.316 -24.905 -4.995 1.00 0.00 C ATOM 559 C CYS A 37 3.133 -23.640 -5.249 1.00 0.00 C ATOM 560 O CYS A 37 4.318 -23.586 -4.986 1.00 0.00 O ATOM 561 CB CYS A 37 2.369 -25.820 -6.221 1.00 0.00 C ATOM 562 SG CYS A 37 4.088 -26.014 -6.758 1.00 0.00 S ATOM 0 H CYS A 37 0.219 -24.853 -5.391 1.00 0.00 H new ATOM 0 HA CYS A 37 2.724 -25.447 -4.142 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.940 -26.793 -5.980 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.770 -25.399 -7.028 1.00 0.00 H new ATOM 567 N MET A 38 2.499 -22.613 -5.748 1.00 0.00 N ATOM 568 CA MET A 38 3.227 -21.340 -6.004 1.00 0.00 C ATOM 569 C MET A 38 3.707 -20.769 -4.668 1.00 0.00 C ATOM 570 O MET A 38 4.519 -19.865 -4.620 1.00 0.00 O ATOM 571 CB MET A 38 2.285 -20.342 -6.681 1.00 0.00 C ATOM 572 CG MET A 38 2.362 -20.517 -8.199 1.00 0.00 C ATOM 573 SD MET A 38 4.048 -20.170 -8.760 1.00 0.00 S ATOM 574 CE MET A 38 4.024 -18.385 -8.465 1.00 0.00 C ATOM 0 H MET A 38 1.508 -22.602 -5.989 1.00 0.00 H new ATOM 0 HA MET A 38 4.082 -21.524 -6.655 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.263 -20.500 -6.337 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.559 -19.323 -6.407 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.077 -21.533 -8.474 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.658 -19.845 -8.690 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.504 -17.872 -9.299 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.992 -18.045 -8.375 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.562 -18.161 -7.544 1.00 0.00 H new ATOM 584 N LEU A 39 3.212 -21.299 -3.582 1.00 0.00 N ATOM 585 CA LEU A 39 3.633 -20.804 -2.243 1.00 0.00 C ATOM 586 C LEU A 39 5.048 -21.290 -1.955 1.00 0.00 C ATOM 587 O LEU A 39 5.949 -20.506 -1.728 1.00 0.00 O ATOM 588 CB LEU A 39 2.672 -21.350 -1.184 1.00 0.00 C ATOM 589 CG LEU A 39 3.256 -21.112 0.208 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.277 -19.612 0.499 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.395 -21.824 1.253 1.00 0.00 C ATOM 0 H LEU A 39 2.530 -22.058 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 39 3.613 -19.714 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.702 -20.860 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.507 -22.416 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 39 4.272 -21.505 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.693 -19.440 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.892 -19.106 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.261 -19.219 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.812 -21.654 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.378 -21.433 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.380 -22.894 1.044 1.00 0.00 H new ATOM 603 N CYS A 40 5.262 -22.574 -1.976 1.00 0.00 N ATOM 604 CA CYS A 40 6.633 -23.087 -1.719 1.00 0.00 C ATOM 605 C CYS A 40 7.552 -22.567 -2.823 1.00 0.00 C ATOM 606 O CYS A 40 8.759 -22.526 -2.681 1.00 0.00 O ATOM 607 CB CYS A 40 6.628 -24.619 -1.705 1.00 0.00 C ATOM 608 SG CYS A 40 5.137 -25.216 -0.868 1.00 0.00 S ATOM 0 H CYS A 40 4.554 -23.285 -2.158 1.00 0.00 H new ATOM 0 HA CYS A 40 6.988 -22.743 -0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.662 -25.002 -2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.517 -24.991 -1.195 1.00 0.00 H new ATOM 613 N HIS A 41 6.978 -22.140 -3.917 1.00 0.00 N ATOM 614 CA HIS A 41 7.799 -21.591 -5.029 1.00 0.00 C ATOM 615 C HIS A 41 8.336 -20.229 -4.604 1.00 0.00 C ATOM 616 O HIS A 41 9.530 -20.006 -4.558 1.00 0.00 O ATOM 617 CB HIS A 41 6.925 -21.422 -6.269 1.00 0.00 C ATOM 618 CG HIS A 41 7.791 -21.106 -7.458 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.614 -22.052 -8.050 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.973 -19.949 -8.178 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.248 -21.454 -9.075 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.893 -20.171 -9.197 1.00 0.00 N ATOM 0 H HIS A 41 5.972 -22.149 -4.086 1.00 0.00 H new ATOM 0 HA HIS A 41 8.622 -22.268 -5.257 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.357 -22.334 -6.453 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.202 -20.622 -6.110 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.477 -19.010 -7.982 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.957 -21.950 -9.721 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.225 -19.499 -9.889 1.00 0.00 H new ATOM 630 N GLU A 42 7.461 -19.318 -4.278 1.00 0.00 N ATOM 631 CA GLU A 42 7.926 -17.978 -3.836 1.00 0.00 C ATOM 632 C GLU A 42 8.750 -18.153 -2.562 1.00 0.00 C ATOM 633 O GLU A 42 9.504 -17.285 -2.166 1.00 0.00 O ATOM 634 CB GLU A 42 6.718 -17.081 -3.553 1.00 0.00 C ATOM 635 CG GLU A 42 6.029 -16.729 -4.872 1.00 0.00 C ATOM 636 CD GLU A 42 4.878 -15.758 -4.604 1.00 0.00 C ATOM 637 OE1 GLU A 42 4.715 -15.365 -3.461 1.00 0.00 O ATOM 638 OE2 GLU A 42 4.179 -15.425 -5.547 1.00 0.00 O ATOM 0 H GLU A 42 6.449 -19.445 -4.299 1.00 0.00 H new ATOM 0 HA GLU A 42 8.532 -17.514 -4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.020 -17.591 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.037 -16.172 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.745 -16.279 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.652 -17.633 -5.350 1.00 0.00 H new ATOM 645 N ASN A 43 8.616 -19.286 -1.923 1.00 0.00 N ATOM 646 CA ASN A 43 9.394 -19.537 -0.680 1.00 0.00 C ATOM 647 C ASN A 43 10.834 -19.886 -1.054 1.00 0.00 C ATOM 648 O ASN A 43 11.764 -19.578 -0.336 1.00 0.00 O ATOM 649 CB ASN A 43 8.767 -20.699 0.092 1.00 0.00 C ATOM 650 CG ASN A 43 7.389 -20.279 0.609 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.083 -19.105 0.672 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.540 -21.194 0.984 1.00 0.00 N ATOM 0 H ASN A 43 8.000 -20.047 -2.211 1.00 0.00 H new ATOM 0 HA ASN A 43 9.384 -18.645 -0.054 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.675 -21.572 -0.554 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.409 -20.985 0.925 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.619 -20.924 1.330 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.796 -22.180 0.931 1.00 0.00 H new ATOM 659 N LEU A 44 11.029 -20.519 -2.180 1.00 0.00 N ATOM 660 CA LEU A 44 12.414 -20.870 -2.600 1.00 0.00 C ATOM 661 C LEU A 44 13.236 -19.584 -2.701 1.00 0.00 C ATOM 662 O LEU A 44 14.408 -19.557 -2.381 1.00 0.00 O ATOM 663 CB LEU A 44 12.381 -21.565 -3.965 1.00 0.00 C ATOM 664 CG LEU A 44 11.666 -22.913 -3.842 1.00 0.00 C ATOM 665 CD1 LEU A 44 11.926 -23.742 -5.102 1.00 0.00 C ATOM 666 CD2 LEU A 44 12.195 -23.668 -2.620 1.00 0.00 C ATOM 0 H LEU A 44 10.292 -20.807 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 44 12.862 -21.544 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.868 -20.935 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.396 -21.713 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 44 10.595 -22.745 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.418 -24.703 -5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.548 -23.208 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.998 -23.907 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.684 -24.627 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.266 -23.836 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.012 -23.079 -1.721 1.00 0.00 H new ATOM 678 N ILE A 45 12.624 -18.516 -3.136 1.00 0.00 N ATOM 679 CA ILE A 45 13.361 -17.226 -3.248 1.00 0.00 C ATOM 680 C ILE A 45 13.472 -16.593 -1.862 1.00 0.00 C ATOM 681 O ILE A 45 14.541 -16.209 -1.428 1.00 0.00 O ATOM 682 CB ILE A 45 12.601 -16.278 -4.180 1.00 0.00 C ATOM 683 CG1 ILE A 45 12.036 -17.066 -5.364 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.554 -15.196 -4.694 1.00 0.00 C ATOM 685 CD1 ILE A 45 13.157 -17.868 -6.025 1.00 0.00 C ATOM 0 H ILE A 45 11.645 -18.482 -3.419 1.00 0.00 H new ATOM 0 HA ILE A 45 14.356 -17.408 -3.653 1.00 0.00 H new ATOM 0 HB ILE A 45 11.782 -15.811 -3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.246 -17.736 -5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.587 -16.385 -6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.014 -14.521 -5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.954 -14.633 -3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.374 -15.663 -5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.754 -18.429 -6.868 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.932 -17.187 -6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.586 -18.560 -5.300 1.00 0.00 H new ATOM 697 N ARG A 46 12.376 -16.488 -1.158 1.00 0.00 N ATOM 698 CA ARG A 46 12.426 -15.886 0.204 1.00 0.00 C ATOM 699 C ARG A 46 13.273 -16.775 1.115 1.00 0.00 C ATOM 700 O ARG A 46 13.973 -16.304 1.988 1.00 0.00 O ATOM 701 CB ARG A 46 11.009 -15.780 0.772 1.00 0.00 C ATOM 702 CG ARG A 46 10.173 -14.839 -0.098 1.00 0.00 C ATOM 703 CD ARG A 46 8.779 -14.687 0.514 1.00 0.00 C ATOM 704 NE ARG A 46 7.913 -13.894 -0.405 1.00 0.00 N ATOM 705 CZ ARG A 46 8.314 -12.731 -0.836 1.00 0.00 C ATOM 706 NH1 ARG A 46 8.713 -12.594 -2.071 1.00 0.00 N ATOM 707 NH2 ARG A 46 8.315 -11.702 -0.033 1.00 0.00 N ATOM 0 H ARG A 46 11.453 -16.792 -1.467 1.00 0.00 H new ATOM 0 HA ARG A 46 12.867 -14.891 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.546 -16.766 0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.044 -15.409 1.796 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.658 -13.866 -0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.097 -15.234 -1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.338 -15.669 0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.848 -14.192 1.483 1.00 0.00 H new ATOM 0 HE ARG A 46 7.007 -14.261 -0.696 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.711 -13.397 -2.700 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.027 -11.684 -2.408 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.002 -11.808 0.932 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.629 -10.792 -0.370 1.00 0.00 H new ATOM 721 N GLN A 47 13.212 -18.062 0.914 1.00 0.00 N ATOM 722 CA GLN A 47 14.010 -18.992 1.761 1.00 0.00 C ATOM 723 C GLN A 47 13.618 -18.808 3.228 1.00 0.00 C ATOM 724 O GLN A 47 14.441 -18.894 4.118 1.00 0.00 O ATOM 725 CB GLN A 47 15.501 -18.690 1.587 1.00 0.00 C ATOM 726 CG GLN A 47 15.903 -18.935 0.130 1.00 0.00 C ATOM 727 CD GLN A 47 17.396 -18.648 -0.043 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.021 -18.072 0.826 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.000 -19.026 -1.138 1.00 0.00 N ATOM 0 H GLN A 47 12.642 -18.511 0.197 1.00 0.00 H new ATOM 0 HA GLN A 47 13.812 -20.020 1.459 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.709 -17.657 1.864 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.091 -19.323 2.250 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.685 -19.966 -0.150 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.320 -18.295 -0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.477 -19.509 -1.868 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.995 -18.838 -1.263 1.00 0.00 H new ATOM 738 N THR A 48 12.363 -18.561 3.487 1.00 0.00 N ATOM 739 CA THR A 48 11.914 -18.375 4.895 1.00 0.00 C ATOM 740 C THR A 48 10.994 -19.531 5.291 1.00 0.00 C ATOM 741 O THR A 48 10.335 -19.492 6.311 1.00 0.00 O ATOM 742 CB THR A 48 11.152 -17.053 5.020 1.00 0.00 C ATOM 743 OG1 THR A 48 9.924 -17.148 4.313 1.00 0.00 O ATOM 744 CG2 THR A 48 11.993 -15.917 4.434 1.00 0.00 C ATOM 0 H THR A 48 11.629 -18.480 2.783 1.00 0.00 H new ATOM 0 HA THR A 48 12.783 -18.356 5.553 1.00 0.00 H new ATOM 0 HB THR A 48 10.952 -16.848 6.072 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.243 -17.549 4.893 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.448 -14.977 4.524 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.935 -15.844 4.977 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.196 -16.119 3.382 1.00 0.00 H new ATOM 752 N ASN A 49 10.944 -20.559 4.489 1.00 0.00 N ATOM 753 CA ASN A 49 10.065 -21.717 4.818 1.00 0.00 C ATOM 754 C ASN A 49 8.687 -21.206 5.241 1.00 0.00 C ATOM 755 O ASN A 49 8.217 -21.485 6.326 1.00 0.00 O ATOM 756 CB ASN A 49 10.687 -22.520 5.962 1.00 0.00 C ATOM 757 CG ASN A 49 12.073 -23.015 5.544 1.00 0.00 C ATOM 758 OD1 ASN A 49 12.414 -22.989 4.378 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.893 -23.469 6.453 1.00 0.00 N ATOM 0 H ASN A 49 11.473 -20.647 3.621 1.00 0.00 H new ATOM 0 HA ASN A 49 9.961 -22.356 3.941 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.765 -21.900 6.855 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.048 -23.366 6.216 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.819 -23.801 6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.608 -23.491 7.432 1.00 0.00 H new ATOM 766 N THR A 50 8.034 -20.459 4.391 1.00 0.00 N ATOM 767 CA THR A 50 6.686 -19.932 4.746 1.00 0.00 C ATOM 768 C THR A 50 5.657 -21.058 4.651 1.00 0.00 C ATOM 769 O THR A 50 5.702 -21.879 3.757 1.00 0.00 O ATOM 770 CB THR A 50 6.302 -18.812 3.776 1.00 0.00 C ATOM 771 OG1 THR A 50 7.311 -17.811 3.787 1.00 0.00 O ATOM 772 CG2 THR A 50 4.967 -18.197 4.203 1.00 0.00 C ATOM 0 H THR A 50 8.376 -20.192 3.468 1.00 0.00 H new ATOM 0 HA THR A 50 6.707 -19.541 5.763 1.00 0.00 H new ATOM 0 HB THR A 50 6.205 -19.221 2.770 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.089 -17.130 4.456 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.696 -17.400 3.511 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.193 -18.965 4.194 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.060 -17.788 5.209 1.00 0.00 H new ATOM 780 N HIS A 51 4.728 -21.102 5.563 1.00 0.00 N ATOM 781 CA HIS A 51 3.695 -22.173 5.524 1.00 0.00 C ATOM 782 C HIS A 51 2.335 -21.553 5.212 1.00 0.00 C ATOM 783 O HIS A 51 2.175 -20.348 5.215 1.00 0.00 O ATOM 784 CB HIS A 51 3.638 -22.875 6.881 1.00 0.00 C ATOM 785 CG HIS A 51 5.036 -23.153 7.360 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.825 -24.147 6.803 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.802 -22.572 8.341 1.00 0.00 C ATOM 788 CE1 HIS A 51 7.007 -24.134 7.445 1.00 0.00 C ATOM 789 NE2 HIS A 51 7.047 -23.193 8.392 1.00 0.00 N ATOM 0 H HIS A 51 4.639 -20.441 6.335 1.00 0.00 H new ATOM 0 HA HIS A 51 3.950 -22.899 4.752 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.112 -22.251 7.603 1.00 0.00 H new ATOM 0 HB3 HIS A 51 3.079 -23.807 6.797 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.487 -21.757 8.976 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.825 -24.803 7.222 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.823 -22.976 9.018 1.00 0.00 H new ATOM 797 N ILE A 52 1.351 -22.364 4.943 1.00 0.00 N ATOM 798 CA ILE A 52 0.001 -21.818 4.634 1.00 0.00 C ATOM 799 C ILE A 52 -0.705 -21.446 5.936 1.00 0.00 C ATOM 800 O ILE A 52 -0.830 -22.247 6.841 1.00 0.00 O ATOM 801 CB ILE A 52 -0.820 -22.871 3.895 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.136 -23.219 2.573 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.218 -22.316 3.619 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.023 -24.182 1.783 1.00 0.00 C ATOM 0 H ILE A 52 1.423 -23.381 4.924 1.00 0.00 H new ATOM 0 HA ILE A 52 0.103 -20.932 4.007 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.898 -23.770 4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.043 -22.313 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.836 -23.674 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.809 -23.064 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.704 -22.069 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.139 -21.418 3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.538 -24.432 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.179 -25.091 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.985 -23.710 1.583 1.00 0.00 H new ATOM 816 N ARG A 53 -1.171 -20.236 6.033 1.00 0.00 N ATOM 817 CA ARG A 53 -1.873 -19.797 7.268 1.00 0.00 C ATOM 818 C ARG A 53 -3.309 -20.311 7.241 1.00 0.00 C ATOM 819 O ARG A 53 -3.819 -20.831 8.213 1.00 0.00 O ATOM 820 CB ARG A 53 -1.895 -18.271 7.317 1.00 0.00 C ATOM 821 CG ARG A 53 -2.488 -17.815 8.647 1.00 0.00 C ATOM 822 CD ARG A 53 -2.373 -16.294 8.764 1.00 0.00 C ATOM 823 NE ARG A 53 -2.888 -15.857 10.092 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.638 -14.794 10.181 1.00 0.00 C ATOM 825 NH1 ARG A 53 -3.602 -13.889 9.241 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.426 -14.634 11.210 1.00 0.00 N ATOM 0 H ARG A 53 -1.095 -19.526 5.304 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.355 -20.190 8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.885 -17.878 7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.485 -17.878 6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.533 -18.117 8.714 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.964 -18.294 9.474 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.334 -15.987 8.646 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.940 -15.813 7.966 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.654 -16.389 10.931 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.987 -14.013 8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.189 -13.058 9.311 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.455 -15.341 11.945 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.012 -13.802 11.279 1.00 0.00 H new ATOM 840 N SER A 54 -3.960 -20.158 6.128 1.00 0.00 N ATOM 841 CA SER A 54 -5.367 -20.621 6.008 1.00 0.00 C ATOM 842 C SER A 54 -5.699 -20.827 4.530 1.00 0.00 C ATOM 843 O SER A 54 -5.009 -20.338 3.658 1.00 0.00 O ATOM 844 CB SER A 54 -6.300 -19.564 6.604 1.00 0.00 C ATOM 845 OG SER A 54 -6.431 -18.481 5.695 1.00 0.00 O ATOM 0 H SER A 54 -3.575 -19.728 5.287 1.00 0.00 H new ATOM 0 HA SER A 54 -5.497 -21.560 6.546 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.277 -20.001 6.809 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.904 -19.208 7.555 1.00 0.00 H new ATOM 0 HG SER A 54 -7.030 -17.805 6.076 1.00 0.00 H new ATOM 851 N THR A 55 -6.743 -21.549 4.237 1.00 0.00 N ATOM 852 CA THR A 55 -7.103 -21.783 2.811 1.00 0.00 C ATOM 853 C THR A 55 -7.820 -20.553 2.250 1.00 0.00 C ATOM 854 O THR A 55 -8.716 -20.008 2.864 1.00 0.00 O ATOM 855 CB THR A 55 -8.019 -23.006 2.712 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.306 -22.674 3.216 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.428 -24.154 3.530 1.00 0.00 C ATOM 0 H THR A 55 -7.361 -21.986 4.920 1.00 0.00 H new ATOM 0 HA THR A 55 -6.196 -21.961 2.233 1.00 0.00 H new ATOM 0 HB THR A 55 -8.106 -23.313 1.670 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.894 -23.455 3.152 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.080 -25.024 3.459 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.441 -24.407 3.142 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.340 -23.850 4.573 1.00 0.00 H new ATOM 865 N GLY A 56 -7.425 -20.110 1.088 1.00 0.00 N ATOM 866 CA GLY A 56 -8.076 -18.915 0.480 1.00 0.00 C ATOM 867 C GLY A 56 -7.202 -17.686 0.718 1.00 0.00 C ATOM 868 O GLY A 56 -6.298 -17.700 1.529 1.00 0.00 O ATOM 0 H GLY A 56 -6.677 -20.525 0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.221 -19.070 -0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.063 -18.763 0.917 1.00 0.00 H new ATOM 872 N LYS A 57 -7.464 -16.623 0.014 1.00 0.00 N ATOM 873 CA LYS A 57 -6.649 -15.388 0.197 1.00 0.00 C ATOM 874 C LYS A 57 -6.656 -14.994 1.675 1.00 0.00 C ATOM 875 O LYS A 57 -7.529 -15.383 2.425 1.00 0.00 O ATOM 876 CB LYS A 57 -7.241 -14.252 -0.639 1.00 0.00 C ATOM 877 CG LYS A 57 -6.547 -12.937 -0.274 1.00 0.00 C ATOM 878 CD LYS A 57 -7.124 -11.802 -1.121 1.00 0.00 C ATOM 879 CE LYS A 57 -6.132 -10.637 -1.155 1.00 0.00 C ATOM 880 NZ LYS A 57 -4.948 -11.018 -1.976 1.00 0.00 N ATOM 0 H LYS A 57 -8.207 -16.554 -0.681 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.625 -15.576 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.112 -14.462 -1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.313 -14.173 -0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.687 -12.722 0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.473 -13.021 -0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.323 -12.154 -2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.076 -11.471 -0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.609 -9.751 -1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.819 -10.382 -0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.507 -10.161 -2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.259 -11.520 -1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.250 -11.639 -2.754 1.00 0.00 H new ATOM 894 N CYS A 58 -5.690 -14.229 2.100 1.00 0.00 N ATOM 895 CA CYS A 58 -5.645 -13.815 3.530 1.00 0.00 C ATOM 896 C CYS A 58 -6.790 -12.843 3.819 1.00 0.00 C ATOM 897 O CYS A 58 -7.228 -12.110 2.953 1.00 0.00 O ATOM 898 CB CYS A 58 -4.308 -13.130 3.823 1.00 0.00 C ATOM 899 SG CYS A 58 -2.967 -14.336 3.675 1.00 0.00 S ATOM 0 H CYS A 58 -4.930 -13.873 1.520 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.749 -14.696 4.164 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.149 -12.306 3.127 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.318 -12.703 4.826 1.00 0.00 H new ATOM 904 N GLU A 59 -7.279 -12.830 5.029 1.00 0.00 N ATOM 905 CA GLU A 59 -8.394 -11.904 5.373 1.00 0.00 C ATOM 906 C GLU A 59 -7.829 -10.510 5.650 1.00 0.00 C ATOM 907 O GLU A 59 -7.203 -10.341 6.684 1.00 0.00 O ATOM 908 CB GLU A 59 -9.119 -12.420 6.618 1.00 0.00 C ATOM 909 CG GLU A 59 -9.740 -13.786 6.320 1.00 0.00 C ATOM 910 CD GLU A 59 -10.569 -14.244 7.521 1.00 0.00 C ATOM 911 OE1 GLU A 59 -10.502 -13.589 8.548 1.00 0.00 O ATOM 912 OE2 GLU A 59 -11.258 -15.243 7.394 1.00 0.00 O ATOM 913 OXT GLU A 59 -8.031 -9.634 4.826 1.00 0.00 O ATOM 0 H GLU A 59 -6.954 -13.421 5.794 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.096 -11.852 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.421 -12.501 7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.894 -11.715 6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.370 -13.725 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.957 -14.514 6.106 1.00 0.00 H new