USER MOD reduce.3.24.130724 H: found=0, std=0, add=236, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 236 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 9 THR OG1 : rot 180:sc=-6.71e-05 USER MOD Set 1.2: A 12 ASN : amide:sc= 0.779 X(o=0.78,f=0.88) USER MOD Single : A 1 ASP N :NH3+ 142:sc= 0.11 (180deg=0.00742) USER MOD Single : A 3 THR OG1 : rot -106:sc= 1.3 USER MOD Single : A 16 THR OG1 : rot 45:sc= 0.00628 USER MOD Single : A 20 HIS : no HE2:sc= -0.333 K(o=-0.33,f=-3.4!) USER MOD Single : A 27 SER OG : rot -47:sc= 0.606 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.944 K(o=0.94,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -15.058 14.486 -0.778 1.00 0.00 N ATOM 2 CA ASP A 1 -15.175 13.020 -0.613 1.00 0.00 C ATOM 3 C ASP A 1 -15.493 12.676 0.832 1.00 0.00 C ATOM 4 O ASP A 1 -14.590 12.455 1.642 1.00 0.00 O ATOM 5 CB ASP A 1 -13.878 12.329 -1.044 1.00 0.00 C ATOM 6 CG ASP A 1 -13.591 12.518 -2.516 1.00 0.00 C ATOM 7 OD1 ASP A 1 -13.152 13.622 -2.905 1.00 0.00 O ATOM 8 OD2 ASP A 1 -13.820 11.572 -3.296 1.00 0.00 O ATOM 0 H1 ASP A 1 -14.291 14.700 -1.446 1.00 0.00 H new ATOM 0 H2 ASP A 1 -15.953 14.867 -1.146 1.00 0.00 H new ATOM 0 H3 ASP A 1 -14.848 14.923 0.142 1.00 0.00 H new ATOM 0 HA ASP A 1 -15.988 12.665 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -13.047 12.724 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -13.945 11.264 -0.823 1.00 0.00 H new ATOM 15 N GLU A 2 -16.782 12.628 1.155 1.00 0.00 N ATOM 16 CA GLU A 2 -17.219 12.365 2.520 1.00 0.00 C ATOM 17 C GLU A 2 -16.809 10.965 2.961 1.00 0.00 C ATOM 18 O GLU A 2 -16.531 10.730 4.135 1.00 0.00 O ATOM 19 CB GLU A 2 -18.738 12.527 2.641 1.00 0.00 C ATOM 20 CG GLU A 2 -19.528 11.528 1.813 1.00 0.00 C ATOM 21 CD GLU A 2 -21.021 11.666 2.002 1.00 0.00 C ATOM 22 OE1 GLU A 2 -21.559 11.085 2.966 1.00 0.00 O ATOM 23 OE2 GLU A 2 -21.667 12.348 1.181 1.00 0.00 O ATOM 0 H GLU A 2 -17.542 12.768 0.489 1.00 0.00 H new ATOM 0 HA GLU A 2 -16.734 13.091 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -19.023 12.423 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -19.012 13.536 2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.285 11.663 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -19.224 10.517 2.083 1.00 0.00 H new ATOM 30 N THR A 3 -16.757 10.046 2.010 1.00 0.00 N ATOM 31 CA THR A 3 -16.388 8.676 2.302 1.00 0.00 C ATOM 32 C THR A 3 -15.394 8.153 1.261 1.00 0.00 C ATOM 33 O THR A 3 -15.779 7.638 0.213 1.00 0.00 O ATOM 34 CB THR A 3 -17.637 7.755 2.389 1.00 0.00 C ATOM 35 OG1 THR A 3 -17.242 6.384 2.547 1.00 0.00 O ATOM 36 CG2 THR A 3 -18.533 7.892 1.162 1.00 0.00 C ATOM 0 H THR A 3 -16.967 10.228 1.028 1.00 0.00 H new ATOM 0 HA THR A 3 -15.904 8.662 3.278 1.00 0.00 H new ATOM 0 HB THR A 3 -18.208 8.072 3.261 1.00 0.00 H new ATOM 0 HG1 THR A 3 -17.382 5.904 1.704 1.00 0.00 H new ATOM 0 HG21 THR A 3 -19.394 7.231 1.264 1.00 0.00 H new ATOM 0 HG22 THR A 3 -18.876 8.923 1.075 1.00 0.00 H new ATOM 0 HG23 THR A 3 -17.971 7.620 0.269 1.00 0.00 H new ATOM 44 N PRO A 4 -14.085 8.299 1.523 1.00 0.00 N ATOM 45 CA PRO A 4 -13.052 7.772 0.640 1.00 0.00 C ATOM 46 C PRO A 4 -12.794 6.294 0.912 1.00 0.00 C ATOM 47 O PRO A 4 -11.652 5.863 1.079 1.00 0.00 O ATOM 48 CB PRO A 4 -11.830 8.620 0.986 1.00 0.00 C ATOM 49 CG PRO A 4 -12.018 9.004 2.417 1.00 0.00 C ATOM 50 CD PRO A 4 -13.506 8.989 2.692 1.00 0.00 C ATOM 0 HA PRO A 4 -13.324 7.827 -0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.907 8.057 0.846 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.767 9.500 0.346 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.498 8.307 3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.601 9.993 2.608 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.734 8.462 3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -13.902 9.999 2.794 1.00 0.00 H new ATOM 58 N ASP A 5 -13.874 5.519 0.938 1.00 0.00 N ATOM 59 CA ASP A 5 -13.811 4.090 1.255 1.00 0.00 C ATOM 60 C ASP A 5 -13.307 3.277 0.068 1.00 0.00 C ATOM 61 O ASP A 5 -13.376 2.049 0.068 1.00 0.00 O ATOM 62 CB ASP A 5 -15.188 3.573 1.689 1.00 0.00 C ATOM 63 CG ASP A 5 -16.237 3.713 0.604 1.00 0.00 C ATOM 64 OD1 ASP A 5 -16.819 4.810 0.473 1.00 0.00 O ATOM 65 OD2 ASP A 5 -16.487 2.733 -0.123 1.00 0.00 O ATOM 0 H ASP A 5 -14.815 5.859 0.741 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.106 3.969 2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.104 2.524 1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.513 4.119 2.575 1.00 0.00 H new ATOM 70 N GLU A 6 -12.784 3.969 -0.932 1.00 0.00 N ATOM 71 CA GLU A 6 -12.218 3.327 -2.109 1.00 0.00 C ATOM 72 C GLU A 6 -10.796 2.857 -1.818 1.00 0.00 C ATOM 73 O GLU A 6 -9.850 3.183 -2.536 1.00 0.00 O ATOM 74 CB GLU A 6 -12.235 4.299 -3.290 1.00 0.00 C ATOM 75 CG GLU A 6 -11.707 5.682 -2.940 1.00 0.00 C ATOM 76 CD GLU A 6 -11.677 6.612 -4.128 1.00 0.00 C ATOM 77 OE1 GLU A 6 -10.670 6.606 -4.862 1.00 0.00 O ATOM 78 OE2 GLU A 6 -12.656 7.360 -4.327 1.00 0.00 O ATOM 0 H GLU A 6 -12.740 4.988 -0.951 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.821 2.456 -2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.637 3.884 -4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.256 4.391 -3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.330 6.117 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.701 5.589 -2.531 1.00 0.00 H new ATOM 85 N CYS A 7 -10.661 2.086 -0.752 1.00 0.00 N ATOM 86 CA CYS A 7 -9.366 1.615 -0.301 1.00 0.00 C ATOM 87 C CYS A 7 -8.857 0.505 -1.209 1.00 0.00 C ATOM 88 O CYS A 7 -9.622 -0.365 -1.633 1.00 0.00 O ATOM 89 CB CYS A 7 -9.468 1.118 1.141 1.00 0.00 C ATOM 90 SG CYS A 7 -10.729 -0.177 1.396 1.00 0.00 S ATOM 0 H CYS A 7 -11.443 1.771 -0.178 1.00 0.00 H new ATOM 0 HA CYS A 7 -8.657 2.442 -0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.497 0.730 1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -9.695 1.964 1.790 1.00 0.00 H new ATOM 95 N VAL A 8 -7.576 0.555 -1.527 1.00 0.00 N ATOM 96 CA VAL A 8 -6.969 -0.446 -2.384 1.00 0.00 C ATOM 97 C VAL A 8 -6.517 -1.640 -1.545 1.00 0.00 C ATOM 98 O VAL A 8 -6.101 -1.484 -0.390 1.00 0.00 O ATOM 99 CB VAL A 8 -5.783 0.146 -3.185 1.00 0.00 C ATOM 100 CG1 VAL A 8 -4.528 0.250 -2.337 1.00 0.00 C ATOM 101 CG2 VAL A 8 -5.526 -0.663 -4.446 1.00 0.00 C ATOM 0 H VAL A 8 -6.935 1.280 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.714 -0.783 -3.105 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.058 1.159 -3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.719 0.670 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.720 0.897 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.243 -0.742 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.689 -0.229 -4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.289 -1.692 -4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.416 -0.649 -5.075 1.00 0.00 H new ATOM 111 N THR A 9 -6.633 -2.828 -2.111 1.00 0.00 N ATOM 112 CA THR A 9 -6.301 -4.048 -1.396 1.00 0.00 C ATOM 113 C THR A 9 -4.814 -4.378 -1.498 1.00 0.00 C ATOM 114 O THR A 9 -4.086 -3.789 -2.305 1.00 0.00 O ATOM 115 CB THR A 9 -7.135 -5.228 -1.922 1.00 0.00 C ATOM 116 OG1 THR A 9 -7.054 -5.284 -3.350 1.00 0.00 O ATOM 117 CG2 THR A 9 -8.586 -5.089 -1.502 1.00 0.00 C ATOM 0 H THR A 9 -6.956 -2.974 -3.067 1.00 0.00 H new ATOM 0 HA THR A 9 -6.538 -3.881 -0.345 1.00 0.00 H new ATOM 0 HB THR A 9 -6.734 -6.148 -1.497 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.586 -6.039 -3.678 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.158 -5.934 -1.885 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.650 -5.070 -0.414 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.994 -4.162 -1.905 1.00 0.00 H new ATOM 125 N ARG A 10 -4.374 -5.318 -0.669 1.00 0.00 N ATOM 126 CA ARG A 10 -2.980 -5.731 -0.615 1.00 0.00 C ATOM 127 C ARG A 10 -2.488 -6.237 -1.970 1.00 0.00 C ATOM 128 O ARG A 10 -3.193 -6.965 -2.667 1.00 0.00 O ATOM 129 CB ARG A 10 -2.821 -6.822 0.449 1.00 0.00 C ATOM 130 CG ARG A 10 -1.454 -7.485 0.459 1.00 0.00 C ATOM 131 CD ARG A 10 -1.316 -8.462 1.620 1.00 0.00 C ATOM 132 NE ARG A 10 -1.222 -7.769 2.904 1.00 0.00 N ATOM 133 CZ ARG A 10 -1.758 -8.215 4.035 1.00 0.00 C ATOM 134 NH1 ARG A 10 -2.445 -9.349 4.053 1.00 0.00 N ATOM 135 NH2 ARG A 10 -1.600 -7.517 5.148 1.00 0.00 N ATOM 0 H ARG A 10 -4.977 -5.815 -0.014 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.373 -4.865 -0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.009 -6.387 1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.582 -7.586 0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.297 -8.012 -0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.679 -6.722 0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.173 -9.135 1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.429 -9.078 1.473 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.712 -6.886 2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.565 -9.886 3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.853 -9.684 4.926 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.071 -6.645 5.132 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.008 -7.851 6.021 1.00 0.00 H new ATOM 149 N GLY A 11 -1.281 -5.829 -2.341 1.00 0.00 N ATOM 150 CA GLY A 11 -0.679 -6.318 -3.568 1.00 0.00 C ATOM 151 C GLY A 11 -0.875 -5.377 -4.740 1.00 0.00 C ATOM 152 O GLY A 11 -0.442 -5.667 -5.855 1.00 0.00 O ATOM 0 H GLY A 11 -0.708 -5.169 -1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.388 -6.471 -3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.107 -7.290 -3.814 1.00 0.00 H new ATOM 156 N ASN A 12 -1.531 -4.253 -4.497 1.00 0.00 N ATOM 157 CA ASN A 12 -1.755 -3.268 -5.539 1.00 0.00 C ATOM 158 C ASN A 12 -0.828 -2.078 -5.356 1.00 0.00 C ATOM 159 O ASN A 12 -0.371 -1.794 -4.244 1.00 0.00 O ATOM 160 CB ASN A 12 -3.206 -2.795 -5.537 1.00 0.00 C ATOM 161 CG ASN A 12 -4.181 -3.867 -5.988 1.00 0.00 C ATOM 162 OD1 ASN A 12 -4.424 -4.042 -7.184 1.00 0.00 O ATOM 163 ND2 ASN A 12 -4.771 -4.572 -5.037 1.00 0.00 N ATOM 0 H ASN A 12 -1.917 -4.002 -3.587 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.542 -3.741 -6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.474 -2.468 -4.532 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.300 -1.928 -6.191 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.453 -5.289 -5.283 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.544 -4.398 -4.058 1.00 0.00 H new ATOM 170 N PHE A 13 -0.555 -1.396 -6.457 1.00 0.00 N ATOM 171 CA PHE A 13 0.320 -0.235 -6.455 1.00 0.00 C ATOM 172 C PHE A 13 -0.386 0.959 -5.828 1.00 0.00 C ATOM 173 O PHE A 13 -1.560 1.212 -6.106 1.00 0.00 O ATOM 174 CB PHE A 13 0.745 0.098 -7.888 1.00 0.00 C ATOM 175 CG PHE A 13 1.784 1.179 -7.990 1.00 0.00 C ATOM 176 CD1 PHE A 13 1.417 2.514 -8.068 1.00 0.00 C ATOM 177 CD2 PHE A 13 3.129 0.858 -8.018 1.00 0.00 C ATOM 178 CE1 PHE A 13 2.371 3.506 -8.163 1.00 0.00 C ATOM 179 CE2 PHE A 13 4.089 1.845 -8.114 1.00 0.00 C ATOM 180 CZ PHE A 13 3.710 3.171 -8.190 1.00 0.00 C ATOM 0 H PHE A 13 -0.933 -1.631 -7.375 1.00 0.00 H new ATOM 0 HA PHE A 13 1.207 -0.464 -5.864 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.131 -0.806 -8.359 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.135 0.402 -8.454 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.371 2.781 -8.054 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.432 -0.177 -7.964 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.071 4.542 -8.216 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.136 1.581 -8.130 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.460 3.944 -8.270 1.00 0.00 H new ATOM 190 N CYS A 14 0.327 1.686 -4.985 1.00 0.00 N ATOM 191 CA CYS A 14 -0.227 2.864 -4.349 1.00 0.00 C ATOM 192 C CYS A 14 0.637 4.080 -4.650 1.00 0.00 C ATOM 193 O CYS A 14 1.867 3.993 -4.686 1.00 0.00 O ATOM 194 CB CYS A 14 -0.346 2.656 -2.834 1.00 0.00 C ATOM 195 SG CYS A 14 1.244 2.501 -1.958 1.00 0.00 S ATOM 0 H CYS A 14 1.292 1.479 -4.726 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.226 3.035 -4.751 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.899 3.493 -2.409 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.936 1.758 -2.650 1.00 0.00 H new ATOM 200 N ALA A 15 -0.016 5.204 -4.900 1.00 0.00 N ATOM 201 CA ALA A 15 0.681 6.458 -5.119 1.00 0.00 C ATOM 202 C ALA A 15 1.286 6.942 -3.804 1.00 0.00 C ATOM 203 O ALA A 15 0.809 6.552 -2.737 1.00 0.00 O ATOM 204 CB ALA A 15 -0.276 7.489 -5.705 1.00 0.00 C ATOM 0 H ALA A 15 -1.032 5.272 -4.956 1.00 0.00 H new ATOM 0 HA ALA A 15 1.491 6.311 -5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.254 8.427 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.666 7.125 -6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.102 7.654 -5.013 1.00 0.00 H new ATOM 210 N THR A 16 2.312 7.792 -3.889 1.00 0.00 N ATOM 211 CA THR A 16 3.090 8.221 -2.726 1.00 0.00 C ATOM 212 C THR A 16 2.224 8.512 -1.501 1.00 0.00 C ATOM 213 O THR A 16 1.372 9.403 -1.512 1.00 0.00 O ATOM 214 CB THR A 16 3.927 9.463 -3.054 1.00 0.00 C ATOM 215 OG1 THR A 16 3.148 10.397 -3.813 1.00 0.00 O ATOM 216 CG2 THR A 16 5.183 9.088 -3.825 1.00 0.00 C ATOM 0 H THR A 16 2.627 8.203 -4.768 1.00 0.00 H new ATOM 0 HA THR A 16 3.744 7.384 -2.481 1.00 0.00 H new ATOM 0 HB THR A 16 4.228 9.926 -2.114 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.257 10.481 -3.413 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.758 9.988 -4.044 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.788 8.408 -3.226 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.905 8.599 -4.758 1.00 0.00 H new ATOM 224 N PRO A 17 2.452 7.761 -0.418 1.00 0.00 N ATOM 225 CA PRO A 17 1.620 7.827 0.782 1.00 0.00 C ATOM 226 C PRO A 17 1.758 9.154 1.519 1.00 0.00 C ATOM 227 O PRO A 17 0.834 9.593 2.187 1.00 0.00 O ATOM 228 CB PRO A 17 2.151 6.677 1.648 1.00 0.00 C ATOM 229 CG PRO A 17 3.556 6.484 1.198 1.00 0.00 C ATOM 230 CD PRO A 17 3.562 6.802 -0.275 1.00 0.00 C ATOM 0 HA PRO A 17 0.560 7.747 0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.105 6.926 2.708 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.562 5.771 1.508 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.235 7.140 1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.888 5.462 1.379 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.511 7.235 -0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.403 5.909 -0.880 1.00 0.00 H new ATOM 238 N GLU A 18 2.900 9.803 1.353 1.00 0.00 N ATOM 239 CA GLU A 18 3.234 10.993 2.130 1.00 0.00 C ATOM 240 C GLU A 18 2.260 12.151 1.883 1.00 0.00 C ATOM 241 O GLU A 18 2.038 12.973 2.768 1.00 0.00 O ATOM 242 CB GLU A 18 4.669 11.423 1.812 1.00 0.00 C ATOM 243 CG GLU A 18 5.170 12.609 2.620 1.00 0.00 C ATOM 244 CD GLU A 18 6.606 12.952 2.291 1.00 0.00 C ATOM 245 OE1 GLU A 18 6.851 13.523 1.211 1.00 0.00 O ATOM 246 OE2 GLU A 18 7.501 12.635 3.103 1.00 0.00 O ATOM 0 H GLU A 18 3.617 9.525 0.683 1.00 0.00 H new ATOM 0 HA GLU A 18 3.149 10.734 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.334 10.577 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.734 11.669 0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.537 13.474 2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.085 12.385 3.683 1.00 0.00 H new ATOM 253 N VAL A 19 1.667 12.213 0.696 1.00 0.00 N ATOM 254 CA VAL A 19 0.832 13.361 0.341 1.00 0.00 C ATOM 255 C VAL A 19 -0.660 13.159 0.654 1.00 0.00 C ATOM 256 O VAL A 19 -1.400 14.136 0.781 1.00 0.00 O ATOM 257 CB VAL A 19 1.003 13.752 -1.143 1.00 0.00 C ATOM 258 CG1 VAL A 19 2.385 14.347 -1.388 1.00 0.00 C ATOM 259 CG2 VAL A 19 0.785 12.552 -2.043 1.00 0.00 C ATOM 0 H VAL A 19 1.744 11.498 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 19 1.187 14.175 0.973 1.00 0.00 H new ATOM 0 HB VAL A 19 0.252 14.506 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.484 14.616 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.512 15.238 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.148 13.614 -1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.910 12.850 -3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.511 11.777 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.223 12.165 -1.895 1.00 0.00 H new ATOM 269 N HIS A 20 -1.118 11.915 0.786 1.00 0.00 N ATOM 270 CA HIS A 20 -2.537 11.672 1.091 1.00 0.00 C ATOM 271 C HIS A 20 -2.720 10.798 2.329 1.00 0.00 C ATOM 272 O HIS A 20 -3.729 10.898 3.020 1.00 0.00 O ATOM 273 CB HIS A 20 -3.290 11.071 -0.115 1.00 0.00 C ATOM 274 CG HIS A 20 -2.555 10.001 -0.867 1.00 0.00 C ATOM 275 ND1 HIS A 20 -2.614 8.660 -0.546 1.00 0.00 N ATOM 276 CD2 HIS A 20 -1.757 10.085 -1.955 1.00 0.00 C ATOM 277 CE1 HIS A 20 -1.878 7.975 -1.402 1.00 0.00 C ATOM 278 NE2 HIS A 20 -1.349 8.816 -2.266 1.00 0.00 N ATOM 0 H HIS A 20 -0.548 11.075 0.690 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.973 12.647 1.308 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -4.235 10.659 0.238 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.532 11.877 -0.808 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -3.143 8.261 0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.490 10.989 -2.483 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.734 6.905 -1.395 1.00 0.00 H new ATOM 287 N GLY A 21 -1.737 9.952 2.596 1.00 0.00 N ATOM 288 CA GLY A 21 -1.740 9.070 3.764 1.00 0.00 C ATOM 289 C GLY A 21 -2.796 7.974 3.728 1.00 0.00 C ATOM 290 O GLY A 21 -2.551 6.863 4.200 1.00 0.00 O ATOM 0 H GLY A 21 -0.909 9.854 2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.758 8.607 3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.892 9.674 4.659 1.00 0.00 H new ATOM 294 N ASP A 22 -3.951 8.269 3.159 1.00 0.00 N ATOM 295 CA ASP A 22 -5.004 7.276 2.992 1.00 0.00 C ATOM 296 C ASP A 22 -5.000 6.735 1.572 1.00 0.00 C ATOM 297 O ASP A 22 -4.830 7.504 0.625 1.00 0.00 O ATOM 298 CB ASP A 22 -6.375 7.872 3.325 1.00 0.00 C ATOM 299 CG ASP A 22 -7.487 6.847 3.235 1.00 0.00 C ATOM 300 OD1 ASP A 22 -7.645 6.048 4.185 1.00 0.00 O ATOM 301 OD2 ASP A 22 -8.199 6.826 2.214 1.00 0.00 O ATOM 0 H ASP A 22 -4.187 9.195 2.801 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.809 6.456 3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.351 8.291 4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.586 8.695 2.642 1.00 0.00 H new ATOM 306 N TRP A 23 -5.172 5.423 1.439 1.00 0.00 N ATOM 307 CA TRP A 23 -5.261 4.759 0.137 1.00 0.00 C ATOM 308 C TRP A 23 -5.332 3.250 0.326 1.00 0.00 C ATOM 309 O TRP A 23 -6.192 2.579 -0.243 1.00 0.00 O ATOM 310 CB TRP A 23 -4.066 5.103 -0.756 1.00 0.00 C ATOM 311 CG TRP A 23 -4.472 5.590 -2.114 1.00 0.00 C ATOM 312 CD1 TRP A 23 -5.079 6.776 -2.411 1.00 0.00 C ATOM 313 CD2 TRP A 23 -4.300 4.906 -3.357 1.00 0.00 C ATOM 314 NE1 TRP A 23 -5.292 6.871 -3.762 1.00 0.00 N ATOM 315 CE2 TRP A 23 -4.825 5.734 -4.367 1.00 0.00 C ATOM 316 CE3 TRP A 23 -3.755 3.673 -3.714 1.00 0.00 C ATOM 317 CZ2 TRP A 23 -4.816 5.366 -5.711 1.00 0.00 C ATOM 318 CZ3 TRP A 23 -3.746 3.308 -5.047 1.00 0.00 C ATOM 319 CH2 TRP A 23 -4.274 4.152 -6.031 1.00 0.00 C ATOM 0 H TRP A 23 -5.254 4.786 2.232 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.167 5.116 -0.353 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.462 5.868 -0.267 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -3.435 4.221 -0.866 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.352 7.530 -1.687 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -5.728 7.660 -4.239 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.347 3.014 -2.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.222 6.016 -6.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -3.325 2.356 -5.334 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.253 3.838 -7.064 1.00 0.00 H new ATOM 330 N CYS A 24 -4.423 2.723 1.133 1.00 0.00 N ATOM 331 CA CYS A 24 -4.384 1.296 1.405 1.00 0.00 C ATOM 332 C CYS A 24 -5.471 0.923 2.402 1.00 0.00 C ATOM 333 O CYS A 24 -5.703 1.638 3.375 1.00 0.00 O ATOM 334 CB CYS A 24 -3.022 0.895 1.965 1.00 0.00 C ATOM 335 SG CYS A 24 -1.594 1.461 0.988 1.00 0.00 S ATOM 0 H CYS A 24 -3.702 3.264 1.611 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.553 0.764 0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.931 1.290 2.977 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.983 -0.192 2.042 1.00 0.00 H new ATOM 340 N CYS A 25 -6.137 -0.191 2.156 1.00 0.00 N ATOM 341 CA CYS A 25 -7.220 -0.633 3.025 1.00 0.00 C ATOM 342 C CYS A 25 -6.676 -1.353 4.253 1.00 0.00 C ATOM 343 O CYS A 25 -5.614 -1.970 4.205 1.00 0.00 O ATOM 344 CB CYS A 25 -8.171 -1.556 2.265 1.00 0.00 C ATOM 345 SG CYS A 25 -9.909 -1.409 2.786 1.00 0.00 S ATOM 0 H CYS A 25 -5.950 -0.807 1.365 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.766 0.251 3.354 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.101 -1.337 1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.847 -2.588 2.400 1.00 0.00 H new ATOM 350 N GLY A 26 -7.413 -1.261 5.351 1.00 0.00 N ATOM 351 CA GLY A 26 -7.044 -1.946 6.574 1.00 0.00 C ATOM 352 C GLY A 26 -5.782 -1.395 7.208 1.00 0.00 C ATOM 353 O GLY A 26 -5.570 -0.181 7.244 1.00 0.00 O ATOM 0 H GLY A 26 -8.273 -0.716 5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.865 -1.870 7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.904 -3.006 6.361 1.00 0.00 H new ATOM 357 N SER A 27 -4.939 -2.293 7.700 1.00 0.00 N ATOM 358 CA SER A 27 -3.701 -1.908 8.363 1.00 0.00 C ATOM 359 C SER A 27 -2.535 -1.972 7.377 1.00 0.00 C ATOM 360 O SER A 27 -1.365 -2.039 7.768 1.00 0.00 O ATOM 361 CB SER A 27 -3.440 -2.822 9.571 1.00 0.00 C ATOM 362 OG SER A 27 -2.316 -2.392 10.322 1.00 0.00 O ATOM 0 H SER A 27 -5.092 -3.300 7.652 1.00 0.00 H new ATOM 0 HA SER A 27 -3.795 -0.883 8.721 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.321 -2.838 10.212 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.278 -3.843 9.226 1.00 0.00 H new ATOM 0 HG SER A 27 -1.571 -2.199 9.715 1.00 0.00 H new ATOM 368 N LEU A 28 -2.867 -1.955 6.092 1.00 0.00 N ATOM 369 CA LEU A 28 -1.866 -1.990 5.036 1.00 0.00 C ATOM 370 C LEU A 28 -1.021 -0.724 5.046 1.00 0.00 C ATOM 371 O LEU A 28 -1.477 0.340 5.470 1.00 0.00 O ATOM 372 CB LEU A 28 -2.531 -2.135 3.667 1.00 0.00 C ATOM 373 CG LEU A 28 -2.809 -3.564 3.178 1.00 0.00 C ATOM 374 CD1 LEU A 28 -3.452 -4.429 4.250 1.00 0.00 C ATOM 375 CD2 LEU A 28 -3.696 -3.519 1.947 1.00 0.00 C ATOM 0 H LEU A 28 -3.829 -1.917 5.756 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.224 -2.851 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.477 -1.594 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.899 -1.641 2.929 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.849 -4.018 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.628 -5.429 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.789 -4.492 5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.401 -3.987 4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.892 -4.534 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.639 -3.032 2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.195 -2.958 1.158 1.00 0.00 H new ATOM 387 N LYS A 29 0.206 -0.854 4.578 1.00 0.00 N ATOM 388 CA LYS A 29 1.128 0.268 4.493 1.00 0.00 C ATOM 389 C LYS A 29 1.759 0.310 3.107 1.00 0.00 C ATOM 390 O LYS A 29 1.976 -0.733 2.489 1.00 0.00 O ATOM 391 CB LYS A 29 2.214 0.135 5.569 1.00 0.00 C ATOM 392 CG LYS A 29 1.666 0.152 6.988 1.00 0.00 C ATOM 393 CD LYS A 29 2.758 -0.095 8.014 1.00 0.00 C ATOM 394 CE LYS A 29 2.191 -0.162 9.423 1.00 0.00 C ATOM 395 NZ LYS A 29 3.234 -0.489 10.430 1.00 0.00 N ATOM 0 H LYS A 29 0.593 -1.737 4.246 1.00 0.00 H new ATOM 0 HA LYS A 29 0.582 1.196 4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.760 -0.795 5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.930 0.949 5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.193 1.114 7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.893 -0.610 7.089 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.272 -1.028 7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.500 0.701 7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.732 0.794 9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.403 -0.914 9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.804 -0.525 11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.655 -1.413 10.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.974 0.242 10.413 1.00 0.00 H new ATOM 409 N CYS A 30 2.020 1.513 2.608 1.00 0.00 N ATOM 410 CA CYS A 30 2.671 1.675 1.316 1.00 0.00 C ATOM 411 C CYS A 30 4.161 1.411 1.421 1.00 0.00 C ATOM 412 O CYS A 30 4.927 2.267 1.867 1.00 0.00 O ATOM 413 CB CYS A 30 2.445 3.077 0.754 1.00 0.00 C ATOM 414 SG CYS A 30 0.868 3.296 -0.126 1.00 0.00 S ATOM 0 H CYS A 30 1.791 2.388 3.079 1.00 0.00 H new ATOM 0 HA CYS A 30 2.225 0.947 0.638 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.491 3.794 1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.262 3.317 0.074 1.00 0.00 H new ATOM 419 N VAL A 31 4.565 0.222 1.015 1.00 0.00 N ATOM 420 CA VAL A 31 5.971 -0.123 0.958 1.00 0.00 C ATOM 421 C VAL A 31 6.357 -0.453 -0.478 1.00 0.00 C ATOM 422 O VAL A 31 5.740 -1.309 -1.120 1.00 0.00 O ATOM 423 CB VAL A 31 6.328 -1.291 1.911 1.00 0.00 C ATOM 424 CG1 VAL A 31 5.552 -2.552 1.567 1.00 0.00 C ATOM 425 CG2 VAL A 31 7.826 -1.557 1.896 1.00 0.00 C ATOM 0 H VAL A 31 3.935 -0.524 0.719 1.00 0.00 H new ATOM 0 HA VAL A 31 6.544 0.740 1.298 1.00 0.00 H new ATOM 0 HB VAL A 31 6.039 -0.994 2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.829 -3.349 2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.483 -2.355 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.787 -2.857 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.056 -2.381 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.139 -1.819 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.358 -0.662 2.220 1.00 0.00 H new ATOM 435 N SER A 32 7.351 0.266 -0.987 1.00 0.00 N ATOM 436 CA SER A 32 7.754 0.161 -2.384 1.00 0.00 C ATOM 437 C SER A 32 6.585 0.502 -3.299 1.00 0.00 C ATOM 438 O SER A 32 6.443 -0.059 -4.389 1.00 0.00 O ATOM 439 CB SER A 32 8.273 -1.241 -2.676 1.00 0.00 C ATOM 440 OG SER A 32 9.377 -1.555 -1.843 1.00 0.00 O ATOM 0 H SER A 32 7.898 0.935 -0.445 1.00 0.00 H new ATOM 0 HA SER A 32 8.557 0.874 -2.573 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.476 -1.968 -2.520 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.570 -1.313 -3.722 1.00 0.00 H new ATOM 0 HG SER A 32 9.693 -2.460 -2.046 1.00 0.00 H new ATOM 446 N ASN A 33 5.755 1.431 -2.834 1.00 0.00 N ATOM 447 CA ASN A 33 4.577 1.879 -3.564 1.00 0.00 C ATOM 448 C ASN A 33 3.590 0.742 -3.779 1.00 0.00 C ATOM 449 O ASN A 33 2.896 0.687 -4.791 1.00 0.00 O ATOM 450 CB ASN A 33 4.970 2.506 -4.902 1.00 0.00 C ATOM 451 CG ASN A 33 5.504 3.915 -4.749 1.00 0.00 C ATOM 452 OD1 ASN A 33 6.713 4.131 -4.664 1.00 0.00 O ATOM 453 ND2 ASN A 33 4.602 4.882 -4.688 1.00 0.00 N ATOM 0 H ASN A 33 5.883 1.896 -1.935 1.00 0.00 H new ATOM 0 HA ASN A 33 4.086 2.639 -2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.726 1.885 -5.382 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.102 2.520 -5.562 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.900 5.850 -4.566 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.609 4.659 -4.763 1.00 0.00 H new ATOM 460 N SER A 34 3.537 -0.172 -2.829 1.00 0.00 N ATOM 461 CA SER A 34 2.558 -1.240 -2.855 1.00 0.00 C ATOM 462 C SER A 34 1.971 -1.442 -1.467 1.00 0.00 C ATOM 463 O SER A 34 2.695 -1.425 -0.470 1.00 0.00 O ATOM 464 CB SER A 34 3.194 -2.532 -3.362 1.00 0.00 C ATOM 465 OG SER A 34 3.771 -2.341 -4.643 1.00 0.00 O ATOM 0 H SER A 34 4.165 -0.195 -2.025 1.00 0.00 H new ATOM 0 HA SER A 34 1.754 -0.964 -3.537 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.958 -2.866 -2.660 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.441 -3.318 -3.411 1.00 0.00 H new ATOM 0 HG SER A 34 4.174 -3.180 -4.949 1.00 0.00 H new ATOM 471 N CYS A 35 0.662 -1.610 -1.405 1.00 0.00 N ATOM 472 CA CYS A 35 -0.025 -1.765 -0.134 1.00 0.00 C ATOM 473 C CYS A 35 0.027 -3.208 0.344 1.00 0.00 C ATOM 474 O CYS A 35 -0.267 -4.135 -0.413 1.00 0.00 O ATOM 475 CB CYS A 35 -1.482 -1.326 -0.259 1.00 0.00 C ATOM 476 SG CYS A 35 -1.704 0.415 -0.750 1.00 0.00 S ATOM 0 H CYS A 35 0.052 -1.643 -2.222 1.00 0.00 H new ATOM 0 HA CYS A 35 0.483 -1.135 0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.979 -1.963 -0.990 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.981 -1.488 0.697 1.00 0.00 H new ATOM 481 N ARG A 36 0.410 -3.386 1.597 1.00 0.00 N ATOM 482 CA ARG A 36 0.421 -4.692 2.225 1.00 0.00 C ATOM 483 C ARG A 36 0.403 -4.529 3.737 1.00 0.00 C ATOM 484 O ARG A 36 0.875 -3.480 4.224 1.00 0.00 O ATOM 485 CB ARG A 36 1.641 -5.510 1.794 1.00 0.00 C ATOM 486 CG ARG A 36 2.967 -4.943 2.278 1.00 0.00 C ATOM 487 CD ARG A 36 4.124 -5.877 1.943 1.00 0.00 C ATOM 488 NE ARG A 36 3.887 -7.240 2.424 1.00 0.00 N ATOM 489 CZ ARG A 36 4.849 -8.096 2.754 1.00 0.00 C ATOM 490 NH1 ARG A 36 6.123 -7.725 2.703 1.00 0.00 N ATOM 491 NH2 ARG A 36 4.533 -9.324 3.143 1.00 0.00 N ATOM 492 OXT ARG A 36 -0.078 -5.443 4.431 1.00 0.00 O ATOM 0 H ARG A 36 0.721 -2.629 2.205 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.469 -5.234 1.905 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.534 -6.528 2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.659 -5.571 0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.138 -3.969 1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.925 -4.784 3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.275 -5.895 0.864 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.042 -5.491 2.387 1.00 0.00 H new ATOM 0 HE ARG A 36 2.920 -7.553 2.512 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.367 -6.779 2.410 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.857 -8.386 2.957 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.555 -9.609 3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.268 -9.984 3.397 1.00 0.00 H new TER 506 ARG A 36