USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 504 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 60 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 173:sc= 0.0345 (180deg=0.027) USER MOD Set 2.1: A 25 TYR OH : rot -140:sc= 0.00538 USER MOD Set 2.2: A 30 ASN : amide:sc= -0.0694 X(o=-0.064,f=-0.17) USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 1.07 (180deg=1.07) USER MOD Single : A 19 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.011) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -2.27 F(o=-3.3!,f=-2.3) USER MOD Single : A 29 SER OG : rot -27:sc= 0.275 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= -1.2! (180deg=-1.93!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -3.7! C(o=-3.7!,f=-4.9!) USER MOD Single : A 45 ASN : amide:sc= -3.46! C(o=-3.5!,f=-4.2!) USER MOD Single : A 46 ASN : amide:sc= 0.545 K(o=0.55,f=-0.25) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 80:sc= 0.335 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 28.998 27.560 39.890 1.00 0.00 N HETATM 2 CA PCA A 1 29.307 28.984 39.939 1.00 0.00 C HETATM 3 CB PCA A 1 30.833 29.039 39.672 1.00 0.00 C HETATM 4 CG PCA A 1 31.324 27.650 40.090 1.00 0.00 C HETATM 5 CD PCA A 1 30.072 26.799 39.988 1.00 0.00 C HETATM 6 OE PCA A 1 30.081 25.569 39.972 1.00 0.00 O HETATM 7 C PCA A 1 28.543 29.829 38.906 1.00 0.00 C HETATM 8 O PCA A 1 28.612 29.566 37.712 1.00 0.00 O HETATM 0 H2 PCA A 1 29.551 27.060 40.615 1.00 0.00 H new HETATM 0 HA PCA A 1 29.006 29.411 40.896 1.00 0.00 H new HETATM 0 HB2 PCA A 1 31.049 29.241 38.623 1.00 0.00 H new HETATM 0 HB3 PCA A 1 31.313 29.826 40.254 1.00 0.00 H new HETATM 0 HG2 PCA A 1 32.114 27.286 39.432 1.00 0.00 H new HETATM 0 HG3 PCA A 1 31.728 27.653 41.102 1.00 0.00 H new ATOM 15 N ASP A 2 27.885 30.903 39.351 1.00 0.00 N ATOM 16 CA ASP A 2 27.168 31.841 38.467 1.00 0.00 C ATOM 17 C ASP A 2 28.107 32.824 37.739 1.00 0.00 C ATOM 18 O ASP A 2 27.690 33.605 36.884 1.00 0.00 O ATOM 19 CB ASP A 2 26.203 32.681 39.320 1.00 0.00 C ATOM 20 CG ASP A 2 25.290 31.821 40.176 1.00 0.00 C ATOM 21 OD1 ASP A 2 24.120 31.646 39.773 1.00 0.00 O ATOM 22 OD2 ASP A 2 25.789 31.395 41.246 1.00 0.00 O ATOM 0 H ASP A 2 27.831 31.152 40.339 1.00 0.00 H new ATOM 0 HA ASP A 2 26.654 31.239 37.717 1.00 0.00 H new ATOM 0 HB2 ASP A 2 26.777 33.348 39.963 1.00 0.00 H new ATOM 0 HB3 ASP A 2 25.598 33.310 38.667 1.00 0.00 H new ATOM 27 N ARG A 3 29.367 32.891 38.185 1.00 0.00 N ATOM 28 CA ARG A 3 30.401 33.820 37.721 1.00 0.00 C ATOM 29 C ARG A 3 31.522 33.004 37.041 1.00 0.00 C ATOM 30 O ARG A 3 31.412 31.782 36.992 1.00 0.00 O ATOM 31 CB ARG A 3 30.889 34.715 38.885 1.00 0.00 C ATOM 32 CG ARG A 3 29.881 35.060 40.006 1.00 0.00 C ATOM 33 CD ARG A 3 28.556 35.703 39.554 1.00 0.00 C ATOM 34 NE ARG A 3 28.746 36.898 38.715 1.00 0.00 N ATOM 35 CZ ARG A 3 27.795 37.539 38.072 1.00 0.00 C ATOM 36 NH1 ARG A 3 26.544 37.213 38.210 1.00 0.00 N ATOM 37 NH2 ARG A 3 28.096 38.536 37.279 1.00 0.00 N ATOM 0 H ARG A 3 29.709 32.267 38.916 1.00 0.00 H new ATOM 0 HA ARG A 3 30.004 34.511 36.977 1.00 0.00 H new ATOM 0 HB2 ARG A 3 31.747 34.225 39.346 1.00 0.00 H new ATOM 0 HB3 ARG A 3 31.248 35.652 38.458 1.00 0.00 H new ATOM 0 HG2 ARG A 3 29.649 34.146 40.552 1.00 0.00 H new ATOM 0 HG3 ARG A 3 30.368 35.736 40.709 1.00 0.00 H new ATOM 0 HD2 ARG A 3 27.973 34.967 39.000 1.00 0.00 H new ATOM 0 HD3 ARG A 3 27.973 35.974 40.434 1.00 0.00 H new ATOM 0 HE ARG A 3 29.696 37.259 38.625 1.00 0.00 H new ATOM 0 HH11 ARG A 3 26.282 36.445 38.828 1.00 0.00 H new ATOM 0 HH12 ARG A 3 25.824 37.725 37.700 1.00 0.00 H new ATOM 0 HH21 ARG A 3 29.069 38.816 37.159 1.00 0.00 H new ATOM 0 HH22 ARG A 3 27.357 39.032 36.781 1.00 0.00 H new ATOM 51 N PRO A 4 32.610 33.592 36.523 1.00 0.00 N ATOM 52 CA PRO A 4 33.611 32.795 35.831 1.00 0.00 C ATOM 53 C PRO A 4 34.416 31.909 36.796 1.00 0.00 C ATOM 54 O PRO A 4 34.789 32.323 37.897 1.00 0.00 O ATOM 55 CB PRO A 4 34.501 33.777 35.081 1.00 0.00 C ATOM 56 CG PRO A 4 34.393 35.062 35.895 1.00 0.00 C ATOM 57 CD PRO A 4 33.009 34.995 36.556 1.00 0.00 C ATOM 0 HA PRO A 4 33.136 32.098 35.140 1.00 0.00 H new ATOM 0 HB2 PRO A 4 35.531 33.423 35.027 1.00 0.00 H new ATOM 0 HB3 PRO A 4 34.160 33.923 34.056 1.00 0.00 H new ATOM 0 HG2 PRO A 4 35.185 35.125 36.641 1.00 0.00 H new ATOM 0 HG3 PRO A 4 34.485 35.942 35.258 1.00 0.00 H new ATOM 0 HD2 PRO A 4 33.049 35.364 37.581 1.00 0.00 H new ATOM 0 HD3 PRO A 4 32.291 35.617 36.021 1.00 0.00 H new ATOM 65 N LYS A 5 34.755 30.702 36.346 1.00 0.00 N ATOM 66 CA LYS A 5 35.535 29.733 37.132 1.00 0.00 C ATOM 67 C LYS A 5 36.998 30.137 37.347 1.00 0.00 C ATOM 68 O LYS A 5 37.600 29.700 38.319 1.00 0.00 O ATOM 69 CB LYS A 5 35.459 28.330 36.517 1.00 0.00 C ATOM 70 CG LYS A 5 36.210 28.199 35.176 1.00 0.00 C ATOM 71 CD LYS A 5 36.242 26.749 34.664 1.00 0.00 C ATOM 72 CE LYS A 5 37.098 25.842 35.571 1.00 0.00 C ATOM 73 NZ LYS A 5 37.180 24.462 35.039 1.00 0.00 N ATOM 0 H LYS A 5 34.497 30.362 35.420 1.00 0.00 H new ATOM 0 HA LYS A 5 35.070 29.724 38.118 1.00 0.00 H new ATOM 0 HB2 LYS A 5 35.869 27.610 37.225 1.00 0.00 H new ATOM 0 HB3 LYS A 5 34.413 28.066 36.364 1.00 0.00 H new ATOM 0 HG2 LYS A 5 35.732 28.835 34.431 1.00 0.00 H new ATOM 0 HG3 LYS A 5 37.231 28.562 35.297 1.00 0.00 H new ATOM 0 HD2 LYS A 5 35.226 26.358 34.614 1.00 0.00 H new ATOM 0 HD3 LYS A 5 36.641 26.730 33.650 1.00 0.00 H new ATOM 0 HE2 LYS A 5 38.101 26.258 35.660 1.00 0.00 H new ATOM 0 HE3 LYS A 5 36.671 25.821 36.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 37.763 23.879 35.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 36.224 24.056 34.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 37.610 24.480 34.092 1.00 0.00 H new ATOM 87 N PHE A 6 37.572 30.954 36.464 1.00 0.00 N ATOM 88 CA PHE A 6 38.955 31.377 36.627 1.00 0.00 C ATOM 89 C PHE A 6 39.141 32.202 37.896 1.00 0.00 C ATOM 90 O PHE A 6 40.230 32.170 38.431 1.00 0.00 O ATOM 91 CB PHE A 6 39.467 32.116 35.384 1.00 0.00 C ATOM 92 CG PHE A 6 38.648 33.312 34.942 1.00 0.00 C ATOM 93 CD1 PHE A 6 38.603 34.477 35.719 1.00 0.00 C ATOM 94 CD2 PHE A 6 37.986 33.284 33.698 1.00 0.00 C ATOM 95 CE1 PHE A 6 37.864 35.594 35.292 1.00 0.00 C ATOM 96 CE2 PHE A 6 37.277 34.411 33.250 1.00 0.00 C ATOM 97 CZ PHE A 6 37.201 35.556 34.057 1.00 0.00 C ATOM 0 H PHE A 6 37.104 31.330 35.639 1.00 0.00 H new ATOM 0 HA PHE A 6 39.562 30.478 36.738 1.00 0.00 H new ATOM 0 HB2 PHE A 6 40.487 32.449 35.577 1.00 0.00 H new ATOM 0 HB3 PHE A 6 39.515 31.407 34.557 1.00 0.00 H new ATOM 0 HD1 PHE A 6 39.141 34.517 36.655 1.00 0.00 H new ATOM 0 HD2 PHE A 6 38.024 32.394 33.088 1.00 0.00 H new ATOM 0 HE1 PHE A 6 37.807 36.477 35.912 1.00 0.00 H new ATOM 0 HE2 PHE A 6 36.791 34.396 32.286 1.00 0.00 H new ATOM 0 HZ PHE A 6 36.630 36.411 33.726 1.00 0.00 H new ATOM 107 N CYS A 7 38.085 32.826 38.431 1.00 0.00 N ATOM 108 CA CYS A 7 38.121 33.511 39.729 1.00 0.00 C ATOM 109 C CYS A 7 38.622 32.637 40.887 1.00 0.00 C ATOM 110 O CYS A 7 39.096 33.169 41.878 1.00 0.00 O ATOM 111 CB CYS A 7 36.720 34.037 40.038 1.00 0.00 C ATOM 112 SG CYS A 7 36.249 35.527 39.129 1.00 0.00 S ATOM 0 H CYS A 7 37.175 32.870 37.972 1.00 0.00 H new ATOM 0 HA CYS A 7 38.843 34.323 39.644 1.00 0.00 H new ATOM 0 HB2 CYS A 7 35.996 33.252 39.819 1.00 0.00 H new ATOM 0 HB3 CYS A 7 36.653 34.244 41.106 1.00 0.00 H new ATOM 117 N TYR A 8 38.504 31.313 40.780 1.00 0.00 N ATOM 118 CA TYR A 8 38.928 30.366 41.808 1.00 0.00 C ATOM 119 C TYR A 8 40.423 30.024 41.717 1.00 0.00 C ATOM 120 O TYR A 8 40.876 29.089 42.356 1.00 0.00 O ATOM 121 CB TYR A 8 38.029 29.118 41.722 1.00 0.00 C ATOM 122 CG TYR A 8 36.560 29.383 41.994 1.00 0.00 C ATOM 123 CD1 TYR A 8 35.756 30.049 41.043 1.00 0.00 C ATOM 124 CD2 TYR A 8 35.977 28.952 43.200 1.00 0.00 C ATOM 125 CE1 TYR A 8 34.399 30.285 41.288 1.00 0.00 C ATOM 126 CE2 TYR A 8 34.609 29.178 43.445 1.00 0.00 C ATOM 127 CZ TYR A 8 33.816 29.844 42.484 1.00 0.00 C ATOM 128 OH TYR A 8 32.499 30.059 42.711 1.00 0.00 O ATOM 0 H TYR A 8 38.102 30.861 39.958 1.00 0.00 H new ATOM 0 HA TYR A 8 38.809 30.826 42.789 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.129 28.681 40.728 1.00 0.00 H new ATOM 0 HB3 TYR A 8 38.390 28.376 42.434 1.00 0.00 H new ATOM 0 HD1 TYR A 8 36.195 30.381 40.114 1.00 0.00 H new ATOM 0 HD2 TYR A 8 36.580 28.447 43.940 1.00 0.00 H new ATOM 0 HE1 TYR A 8 33.801 30.807 40.556 1.00 0.00 H new ATOM 0 HE2 TYR A 8 34.165 28.841 44.370 1.00 0.00 H new ATOM 0 HH TYR A 8 32.253 29.691 43.585 1.00 0.00 H new ATOM 138 N LEU A 9 41.185 30.785 40.930 1.00 0.00 N ATOM 139 CA LEU A 9 42.621 30.611 40.745 1.00 0.00 C ATOM 140 C LEU A 9 43.336 31.750 41.499 1.00 0.00 C ATOM 141 O LEU A 9 43.177 32.892 41.084 1.00 0.00 O ATOM 142 CB LEU A 9 42.924 30.664 39.250 1.00 0.00 C ATOM 143 CG LEU A 9 42.220 29.602 38.384 1.00 0.00 C ATOM 144 CD1 LEU A 9 42.420 29.926 36.912 1.00 0.00 C ATOM 145 CD2 LEU A 9 42.794 28.211 38.663 1.00 0.00 C ATOM 0 H LEU A 9 40.806 31.562 40.389 1.00 0.00 H new ATOM 0 HA LEU A 9 42.967 29.654 41.135 1.00 0.00 H new ATOM 0 HB2 LEU A 9 42.648 31.650 38.877 1.00 0.00 H new ATOM 0 HB3 LEU A 9 44.000 30.562 39.113 1.00 0.00 H new ATOM 0 HG LEU A 9 41.158 29.609 38.631 1.00 0.00 H new ATOM 0 HD11 LEU A 9 41.921 29.173 36.303 1.00 0.00 H new ATOM 0 HD12 LEU A 9 41.997 30.907 36.695 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.485 29.931 36.682 1.00 0.00 H new ATOM 0 HD21 LEU A 9 42.283 27.475 38.042 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.859 28.204 38.432 1.00 0.00 H new ATOM 0 HD23 LEU A 9 42.649 27.962 39.714 1.00 0.00 H new ATOM 157 N PRO A 10 44.064 31.457 42.601 1.00 0.00 N ATOM 158 CA PRO A 10 44.851 32.436 43.341 1.00 0.00 C ATOM 159 C PRO A 10 45.665 33.344 42.421 1.00 0.00 C ATOM 160 O PRO A 10 45.992 32.945 41.305 1.00 0.00 O ATOM 161 CB PRO A 10 45.766 31.630 44.267 1.00 0.00 C ATOM 162 CG PRO A 10 44.940 30.369 44.522 1.00 0.00 C ATOM 163 CD PRO A 10 44.241 30.139 43.191 1.00 0.00 C ATOM 0 HA PRO A 10 44.197 33.105 43.900 1.00 0.00 H new ATOM 0 HB2 PRO A 10 46.722 31.402 43.796 1.00 0.00 H new ATOM 0 HB3 PRO A 10 45.985 32.166 45.190 1.00 0.00 H new ATOM 0 HG2 PRO A 10 45.570 29.523 44.798 1.00 0.00 H new ATOM 0 HG3 PRO A 10 44.226 30.512 45.333 1.00 0.00 H new ATOM 0 HD2 PRO A 10 44.837 29.497 42.542 1.00 0.00 H new ATOM 0 HD3 PRO A 10 43.281 29.643 43.334 1.00 0.00 H new ATOM 171 N ASP A 11 45.956 34.565 42.874 1.00 0.00 N ATOM 172 CA ASP A 11 46.677 35.545 42.061 1.00 0.00 C ATOM 173 C ASP A 11 47.906 34.931 41.410 1.00 0.00 C ATOM 174 O ASP A 11 48.805 34.450 42.099 1.00 0.00 O ATOM 175 CB ASP A 11 47.080 36.774 42.877 1.00 0.00 C ATOM 176 CG ASP A 11 47.905 36.473 44.132 1.00 0.00 C ATOM 177 OD1 ASP A 11 47.297 35.927 45.089 1.00 0.00 O ATOM 178 OD2 ASP A 11 48.936 37.154 44.332 1.00 0.00 O ATOM 0 H ASP A 11 45.702 34.899 43.804 1.00 0.00 H new ATOM 0 HA ASP A 11 45.990 35.865 41.277 1.00 0.00 H new ATOM 0 HB2 ASP A 11 47.652 37.446 42.237 1.00 0.00 H new ATOM 0 HB3 ASP A 11 46.177 37.308 43.173 1.00 0.00 H new ATOM 183 N ASP A 12 47.925 34.945 40.080 1.00 0.00 N ATOM 184 CA ASP A 12 48.958 34.307 39.274 1.00 0.00 C ATOM 185 C ASP A 12 49.689 35.376 38.450 1.00 0.00 C ATOM 186 O ASP A 12 49.444 35.541 37.261 1.00 0.00 O ATOM 187 CB ASP A 12 48.335 33.186 38.432 1.00 0.00 C ATOM 188 CG ASP A 12 49.406 32.330 37.771 1.00 0.00 C ATOM 189 OD1 ASP A 12 49.543 32.427 36.532 1.00 0.00 O ATOM 190 OD2 ASP A 12 50.076 31.569 38.491 1.00 0.00 O ATOM 0 H ASP A 12 47.208 35.410 39.523 1.00 0.00 H new ATOM 0 HA ASP A 12 49.711 33.831 39.902 1.00 0.00 H new ATOM 0 HB2 ASP A 12 47.705 32.560 39.065 1.00 0.00 H new ATOM 0 HB3 ASP A 12 47.689 33.618 37.668 1.00 0.00 H new ATOM 195 N PRO A 13 50.559 36.194 39.084 1.00 0.00 N ATOM 196 CA PRO A 13 51.398 37.157 38.374 1.00 0.00 C ATOM 197 C PRO A 13 52.375 36.544 37.357 1.00 0.00 C ATOM 198 O PRO A 13 52.987 37.293 36.586 1.00 0.00 O ATOM 199 CB PRO A 13 52.179 37.873 39.478 1.00 0.00 C ATOM 200 CG PRO A 13 52.118 36.966 40.695 1.00 0.00 C ATOM 201 CD PRO A 13 50.777 36.283 40.518 1.00 0.00 C ATOM 0 HA PRO A 13 50.766 37.809 37.771 1.00 0.00 H new ATOM 0 HB2 PRO A 13 53.211 38.048 39.174 1.00 0.00 H new ATOM 0 HB3 PRO A 13 51.741 38.847 39.696 1.00 0.00 H new ATOM 0 HG2 PRO A 13 52.940 36.251 40.711 1.00 0.00 H new ATOM 0 HG3 PRO A 13 52.168 37.530 41.626 1.00 0.00 H new ATOM 0 HD2 PRO A 13 50.780 35.293 40.974 1.00 0.00 H new ATOM 0 HD3 PRO A 13 49.982 36.853 40.999 1.00 0.00 H new ATOM 209 N GLY A 14 52.564 35.226 37.406 1.00 0.00 N ATOM 210 CA GLY A 14 53.517 34.486 36.601 1.00 0.00 C ATOM 211 C GLY A 14 54.833 34.230 37.336 1.00 0.00 C ATOM 212 O GLY A 14 54.906 34.214 38.568 1.00 0.00 O ATOM 0 H GLY A 14 52.032 34.626 38.036 1.00 0.00 H new ATOM 0 HA2 GLY A 14 53.077 33.533 36.308 1.00 0.00 H new ATOM 0 HA3 GLY A 14 53.719 35.039 35.684 1.00 0.00 H new ATOM 216 N VAL A 15 55.902 34.032 36.563 1.00 0.00 N ATOM 217 CA VAL A 15 57.223 33.641 37.100 1.00 0.00 C ATOM 218 C VAL A 15 58.255 34.769 37.101 1.00 0.00 C ATOM 219 O VAL A 15 59.229 34.720 37.864 1.00 0.00 O ATOM 220 CB VAL A 15 57.789 32.421 36.355 1.00 0.00 C ATOM 221 CG1 VAL A 15 56.864 31.207 36.518 1.00 0.00 C ATOM 222 CG2 VAL A 15 58.030 32.674 34.865 1.00 0.00 C ATOM 0 H VAL A 15 55.885 34.136 35.548 1.00 0.00 H new ATOM 0 HA VAL A 15 57.039 33.384 38.143 1.00 0.00 H new ATOM 0 HB VAL A 15 58.758 32.221 36.811 1.00 0.00 H new ATOM 0 HG11 VAL A 15 57.284 30.355 35.983 1.00 0.00 H new ATOM 0 HG12 VAL A 15 56.770 30.961 37.576 1.00 0.00 H new ATOM 0 HG13 VAL A 15 55.880 31.442 36.111 1.00 0.00 H new ATOM 0 HG21 VAL A 15 58.429 31.771 34.403 1.00 0.00 H new ATOM 0 HG22 VAL A 15 57.089 32.942 34.385 1.00 0.00 H new ATOM 0 HG23 VAL A 15 58.744 33.489 34.745 1.00 0.00 H new ATOM 232 N CYS A 16 58.077 35.781 36.248 1.00 0.00 N ATOM 233 CA CYS A 16 58.991 36.915 36.126 1.00 0.00 C ATOM 234 C CYS A 16 58.819 37.907 37.284 1.00 0.00 C ATOM 235 O CYS A 16 57.707 38.207 37.704 1.00 0.00 O ATOM 236 CB CYS A 16 58.826 37.618 34.769 1.00 0.00 C ATOM 237 SG CYS A 16 59.811 36.850 33.465 1.00 0.00 S ATOM 0 H CYS A 16 57.280 35.834 35.613 1.00 0.00 H new ATOM 0 HA CYS A 16 60.006 36.521 36.180 1.00 0.00 H new ATOM 0 HB2 CYS A 16 57.775 37.603 34.482 1.00 0.00 H new ATOM 0 HB3 CYS A 16 59.114 38.664 34.869 1.00 0.00 H new ATOM 242 N LYS A 17 59.944 38.464 37.759 1.00 0.00 N ATOM 243 CA LYS A 17 59.992 39.376 38.903 1.00 0.00 C ATOM 244 C LYS A 17 60.073 40.817 38.407 1.00 0.00 C ATOM 245 O LYS A 17 61.138 41.425 38.439 1.00 0.00 O ATOM 246 CB LYS A 17 61.144 39.012 39.866 1.00 0.00 C ATOM 247 CG LYS A 17 60.947 37.685 40.627 1.00 0.00 C ATOM 248 CD LYS A 17 61.344 36.442 39.819 1.00 0.00 C ATOM 249 CE LYS A 17 61.065 35.166 40.618 1.00 0.00 C ATOM 250 NZ LYS A 17 61.193 33.970 39.753 1.00 0.00 N ATOM 0 H LYS A 17 60.861 38.287 37.348 1.00 0.00 H new ATOM 0 HA LYS A 17 59.074 39.273 39.482 1.00 0.00 H new ATOM 0 HB2 LYS A 17 62.072 38.955 39.297 1.00 0.00 H new ATOM 0 HB3 LYS A 17 61.263 39.817 40.591 1.00 0.00 H new ATOM 0 HG2 LYS A 17 61.534 37.713 41.545 1.00 0.00 H new ATOM 0 HG3 LYS A 17 59.901 37.597 40.920 1.00 0.00 H new ATOM 0 HD2 LYS A 17 60.789 36.419 38.881 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.402 36.492 39.562 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.762 35.094 41.453 1.00 0.00 H new ATOM 0 HE3 LYS A 17 60.062 35.209 41.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 60.967 33.117 40.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 60.535 34.049 38.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 62.167 33.903 39.395 1.00 0.00 H new ATOM 264 N ALA A 18 58.960 41.330 37.892 1.00 0.00 N ATOM 265 CA ALA A 18 58.850 42.731 37.463 1.00 0.00 C ATOM 266 C ALA A 18 58.001 43.525 38.469 1.00 0.00 C ATOM 267 O ALA A 18 58.066 43.279 39.676 1.00 0.00 O ATOM 268 CB ALA A 18 58.351 42.790 36.020 1.00 0.00 C ATOM 0 H ALA A 18 58.105 40.790 37.758 1.00 0.00 H new ATOM 0 HA ALA A 18 59.827 43.215 37.461 1.00 0.00 H new ATOM 0 HB1 ALA A 18 58.271 43.830 35.705 1.00 0.00 H new ATOM 0 HB2 ALA A 18 59.053 42.268 35.370 1.00 0.00 H new ATOM 0 HB3 ALA A 18 57.373 42.314 35.954 1.00 0.00 H new ATOM 274 N HIS A 19 57.234 44.521 38.003 1.00 0.00 N ATOM 275 CA HIS A 19 56.379 45.322 38.879 1.00 0.00 C ATOM 276 C HIS A 19 55.210 45.980 38.140 1.00 0.00 C ATOM 277 O HIS A 19 55.353 47.102 37.652 1.00 0.00 O ATOM 278 CB HIS A 19 57.245 46.363 39.619 1.00 0.00 C ATOM 279 CG HIS A 19 56.643 46.813 40.917 1.00 0.00 C ATOM 280 ND1 HIS A 19 57.168 46.541 42.165 1.00 0.00 N ATOM 281 CD2 HIS A 19 55.504 47.549 41.088 1.00 0.00 C ATOM 282 CE1 HIS A 19 56.363 47.113 43.086 1.00 0.00 C ATOM 283 NE2 HIS A 19 55.342 47.724 42.452 1.00 0.00 N ATOM 0 H HIS A 19 57.191 44.789 37.020 1.00 0.00 H new ATOM 0 HA HIS A 19 55.918 44.651 39.604 1.00 0.00 H new ATOM 0 HB2 HIS A 19 58.230 45.937 39.810 1.00 0.00 H new ATOM 0 HB3 HIS A 19 57.392 47.229 38.974 1.00 0.00 H new ATOM 0 HD2 HIS A 19 54.855 47.922 40.309 1.00 0.00 H new ATOM 0 HE1 HIS A 19 56.513 47.086 44.155 1.00 0.00 H new ATOM 0 HE2 HIS A 19 54.579 48.230 42.901 1.00 0.00 H new ATOM 292 N ILE A 20 54.045 45.341 38.096 1.00 0.00 N ATOM 293 CA ILE A 20 52.855 45.890 37.439 1.00 0.00 C ATOM 294 C ILE A 20 51.635 45.770 38.385 1.00 0.00 C ATOM 295 O ILE A 20 51.237 44.643 38.678 1.00 0.00 O ATOM 296 CB ILE A 20 52.611 45.212 36.066 1.00 0.00 C ATOM 297 CG1 ILE A 20 53.920 45.095 35.247 1.00 0.00 C ATOM 298 CG2 ILE A 20 51.531 46.021 35.316 1.00 0.00 C ATOM 299 CD1 ILE A 20 53.766 44.686 33.771 1.00 0.00 C ATOM 0 H ILE A 20 53.895 44.424 38.516 1.00 0.00 H new ATOM 0 HA ILE A 20 53.014 46.948 37.232 1.00 0.00 H new ATOM 0 HB ILE A 20 52.261 44.190 36.215 1.00 0.00 H new ATOM 0 HG12 ILE A 20 54.434 46.056 35.284 1.00 0.00 H new ATOM 0 HG13 ILE A 20 54.567 44.368 35.738 1.00 0.00 H new ATOM 0 HG21 ILE A 20 51.342 45.563 34.345 1.00 0.00 H new ATOM 0 HG22 ILE A 20 50.611 46.028 35.900 1.00 0.00 H new ATOM 0 HG23 ILE A 20 51.877 47.045 35.173 1.00 0.00 H new ATOM 0 HD11 ILE A 20 54.749 44.638 33.302 1.00 0.00 H new ATOM 0 HD12 ILE A 20 53.287 43.708 33.712 1.00 0.00 H new ATOM 0 HD13 ILE A 20 53.152 45.422 33.252 1.00 0.00 H new ATOM 311 N PRO A 21 51.076 46.877 38.901 1.00 0.00 N ATOM 312 CA PRO A 21 49.886 46.845 39.766 1.00 0.00 C ATOM 313 C PRO A 21 48.716 46.124 39.093 1.00 0.00 C ATOM 314 O PRO A 21 48.266 46.541 38.035 1.00 0.00 O ATOM 315 CB PRO A 21 49.559 48.309 40.081 1.00 0.00 C ATOM 316 CG PRO A 21 50.898 49.015 39.907 1.00 0.00 C ATOM 317 CD PRO A 21 51.549 48.248 38.766 1.00 0.00 C ATOM 0 HA PRO A 21 50.074 46.282 40.680 1.00 0.00 H new ATOM 0 HB2 PRO A 21 48.804 48.707 39.403 1.00 0.00 H new ATOM 0 HB3 PRO A 21 49.172 48.425 41.093 1.00 0.00 H new ATOM 0 HG2 PRO A 21 50.769 50.069 39.662 1.00 0.00 H new ATOM 0 HG3 PRO A 21 51.498 48.971 40.816 1.00 0.00 H new ATOM 0 HD2 PRO A 21 51.268 48.667 37.800 1.00 0.00 H new ATOM 0 HD3 PRO A 21 52.636 48.297 38.830 1.00 0.00 H new ATOM 325 N ARG A 22 48.250 45.032 39.704 1.00 0.00 N ATOM 326 CA ARG A 22 47.158 44.215 39.185 1.00 0.00 C ATOM 327 C ARG A 22 46.255 43.760 40.334 1.00 0.00 C ATOM 328 O ARG A 22 46.599 43.865 41.511 1.00 0.00 O ATOM 329 CB ARG A 22 47.743 43.024 38.411 1.00 0.00 C ATOM 330 CG ARG A 22 46.812 42.446 37.321 1.00 0.00 C ATOM 331 CD ARG A 22 46.611 43.392 36.128 1.00 0.00 C ATOM 332 NE ARG A 22 47.838 43.505 35.322 1.00 0.00 N ATOM 333 CZ ARG A 22 48.005 44.337 34.310 1.00 0.00 C ATOM 334 NH1 ARG A 22 47.117 45.183 33.904 1.00 0.00 N ATOM 335 NH2 ARG A 22 49.130 44.312 33.655 1.00 0.00 N ATOM 0 H ARG A 22 48.629 44.688 40.586 1.00 0.00 H new ATOM 0 HA ARG A 22 46.544 44.799 38.499 1.00 0.00 H new ATOM 0 HB2 ARG A 22 48.678 43.334 37.945 1.00 0.00 H new ATOM 0 HB3 ARG A 22 47.987 42.232 39.119 1.00 0.00 H new ATOM 0 HG2 ARG A 22 47.226 41.503 36.962 1.00 0.00 H new ATOM 0 HG3 ARG A 22 45.842 42.220 37.764 1.00 0.00 H new ATOM 0 HD2 ARG A 22 45.796 43.026 35.504 1.00 0.00 H new ATOM 0 HD3 ARG A 22 46.318 44.378 36.488 1.00 0.00 H new ATOM 0 HE ARG A 22 48.618 42.894 35.564 1.00 0.00 H new ATOM 0 HH11 ARG A 22 46.214 45.239 34.374 1.00 0.00 H new ATOM 0 HH12 ARG A 22 47.319 45.795 33.113 1.00 0.00 H new ATOM 0 HH21 ARG A 22 49.864 43.657 33.926 1.00 0.00 H new ATOM 0 HH22 ARG A 22 49.278 44.947 32.870 1.00 0.00 H new ATOM 349 N PHE A 23 45.055 43.296 40.016 1.00 0.00 N ATOM 350 CA PHE A 23 44.056 42.888 40.992 1.00 0.00 C ATOM 351 C PHE A 23 43.474 41.527 40.625 1.00 0.00 C ATOM 352 O PHE A 23 43.493 41.114 39.473 1.00 0.00 O ATOM 353 CB PHE A 23 42.966 43.973 41.088 1.00 0.00 C ATOM 354 CG PHE A 23 43.403 45.268 41.733 1.00 0.00 C ATOM 355 CD1 PHE A 23 42.952 45.610 43.017 1.00 0.00 C ATOM 356 CD2 PHE A 23 44.262 46.141 41.035 1.00 0.00 C ATOM 357 CE1 PHE A 23 43.340 46.824 43.593 1.00 0.00 C ATOM 358 CE2 PHE A 23 44.650 47.355 41.611 1.00 0.00 C ATOM 359 CZ PHE A 23 44.180 47.706 42.884 1.00 0.00 C ATOM 0 H PHE A 23 44.742 43.191 39.051 1.00 0.00 H new ATOM 0 HA PHE A 23 44.521 42.782 41.972 1.00 0.00 H new ATOM 0 HB2 PHE A 23 42.603 44.190 40.084 1.00 0.00 H new ATOM 0 HB3 PHE A 23 42.124 43.571 41.652 1.00 0.00 H new ATOM 0 HD1 PHE A 23 42.306 44.936 43.560 1.00 0.00 H new ATOM 0 HD2 PHE A 23 44.621 45.872 40.053 1.00 0.00 H new ATOM 0 HE1 PHE A 23 42.995 47.086 44.582 1.00 0.00 H new ATOM 0 HE2 PHE A 23 45.311 48.021 41.076 1.00 0.00 H new ATOM 0 HZ PHE A 23 44.462 48.652 43.322 1.00 0.00 H new ATOM 369 N TYR A 24 42.928 40.822 41.607 1.00 0.00 N ATOM 370 CA TYR A 24 42.362 39.483 41.400 1.00 0.00 C ATOM 371 C TYR A 24 41.162 39.263 42.348 1.00 0.00 C ATOM 372 O TYR A 24 41.074 39.893 43.414 1.00 0.00 O ATOM 373 CB TYR A 24 43.496 38.444 41.545 1.00 0.00 C ATOM 374 CG TYR A 24 43.272 37.341 42.542 1.00 0.00 C ATOM 375 CD1 TYR A 24 43.561 37.599 43.884 1.00 0.00 C ATOM 376 CD2 TYR A 24 42.820 36.060 42.156 1.00 0.00 C ATOM 377 CE1 TYR A 24 43.356 36.616 44.858 1.00 0.00 C ATOM 378 CE2 TYR A 24 42.586 35.087 43.130 1.00 0.00 C ATOM 379 CZ TYR A 24 42.834 35.365 44.480 1.00 0.00 C ATOM 380 OH TYR A 24 42.560 34.421 45.423 1.00 0.00 O ATOM 0 H TYR A 24 42.862 41.155 42.569 1.00 0.00 H new ATOM 0 HA TYR A 24 41.956 39.368 40.395 1.00 0.00 H new ATOM 0 HB2 TYR A 24 43.671 37.991 40.569 1.00 0.00 H new ATOM 0 HB3 TYR A 24 44.409 38.972 41.820 1.00 0.00 H new ATOM 0 HD1 TYR A 24 43.946 38.566 44.172 1.00 0.00 H new ATOM 0 HD2 TYR A 24 42.656 35.834 41.113 1.00 0.00 H new ATOM 0 HE1 TYR A 24 43.596 36.816 45.892 1.00 0.00 H new ATOM 0 HE2 TYR A 24 42.212 34.116 42.841 1.00 0.00 H new ATOM 0 HH TYR A 24 42.205 33.618 44.988 1.00 0.00 H new ATOM 390 N TYR A 25 40.207 38.409 41.953 1.00 0.00 N ATOM 391 CA TYR A 25 39.021 38.107 42.773 1.00 0.00 C ATOM 392 C TYR A 25 39.339 36.936 43.682 1.00 0.00 C ATOM 393 O TYR A 25 39.886 35.951 43.233 1.00 0.00 O ATOM 394 CB TYR A 25 37.781 37.742 41.942 1.00 0.00 C ATOM 395 CG TYR A 25 36.532 37.640 42.806 1.00 0.00 C ATOM 396 CD1 TYR A 25 36.001 38.788 43.413 1.00 0.00 C ATOM 397 CD2 TYR A 25 35.927 36.400 43.006 1.00 0.00 C ATOM 398 CE1 TYR A 25 34.873 38.677 44.240 1.00 0.00 C ATOM 399 CE2 TYR A 25 34.760 36.287 43.783 1.00 0.00 C ATOM 400 CZ TYR A 25 34.238 37.435 44.410 1.00 0.00 C ATOM 401 OH TYR A 25 33.121 37.372 45.176 1.00 0.00 O ATOM 0 H TYR A 25 40.232 37.911 41.063 1.00 0.00 H new ATOM 0 HA TYR A 25 38.787 39.012 43.333 1.00 0.00 H new ATOM 0 HB2 TYR A 25 37.627 38.494 41.168 1.00 0.00 H new ATOM 0 HB3 TYR A 25 37.950 36.793 41.434 1.00 0.00 H new ATOM 0 HD1 TYR A 25 36.458 39.752 43.245 1.00 0.00 H new ATOM 0 HD2 TYR A 25 36.359 35.517 42.559 1.00 0.00 H new ATOM 0 HE1 TYR A 25 34.491 39.550 44.748 1.00 0.00 H new ATOM 0 HE2 TYR A 25 34.270 35.331 43.897 1.00 0.00 H new ATOM 0 HH TYR A 25 33.141 36.555 45.717 1.00 0.00 H new ATOM 411 N ASN A 26 38.941 37.008 44.943 1.00 0.00 N ATOM 412 CA ASN A 26 39.206 35.978 45.939 1.00 0.00 C ATOM 413 C ASN A 26 37.842 35.366 46.330 1.00 0.00 C ATOM 414 O ASN A 26 37.247 35.841 47.298 1.00 0.00 O ATOM 415 CB ASN A 26 39.925 36.577 47.164 1.00 0.00 C ATOM 416 CG ASN A 26 41.143 37.472 46.984 1.00 0.00 C ATOM 417 OD1 ASN A 26 41.176 38.405 46.066 1.00 0.00 O flip ATOM 418 ND2 ASN A 26 42.055 37.454 47.795 1.00 0.00 N flip ATOM 0 H ASN A 26 38.414 37.800 45.311 1.00 0.00 H new ATOM 0 HA ASN A 26 39.865 35.208 45.538 1.00 0.00 H new ATOM 0 HB2 ASN A 26 39.185 37.150 47.723 1.00 0.00 H new ATOM 0 HB3 ASN A 26 40.229 35.744 47.798 1.00 0.00 H new ATOM 0 HD21 ASN A 26 42.071 36.745 48.528 1.00 0.00 H new ATOM 0 HD22 ASN A 26 42.801 38.148 47.739 1.00 0.00 H new ATOM 425 N PRO A 27 37.305 34.349 45.617 1.00 0.00 N ATOM 426 CA PRO A 27 36.021 33.727 45.961 1.00 0.00 C ATOM 427 C PRO A 27 35.953 33.254 47.409 1.00 0.00 C ATOM 428 O PRO A 27 34.936 33.489 48.052 1.00 0.00 O ATOM 429 CB PRO A 27 35.861 32.527 45.020 1.00 0.00 C ATOM 430 CG PRO A 27 36.675 32.929 43.800 1.00 0.00 C ATOM 431 CD PRO A 27 37.806 33.769 44.389 1.00 0.00 C ATOM 0 HA PRO A 27 35.224 34.462 45.849 1.00 0.00 H new ATOM 0 HB2 PRO A 27 36.238 31.609 45.471 1.00 0.00 H new ATOM 0 HB3 PRO A 27 34.816 32.351 44.766 1.00 0.00 H new ATOM 0 HG2 PRO A 27 37.057 32.058 43.267 1.00 0.00 H new ATOM 0 HG3 PRO A 27 36.078 33.501 43.089 1.00 0.00 H new ATOM 0 HD2 PRO A 27 38.684 33.153 44.583 1.00 0.00 H new ATOM 0 HD3 PRO A 27 38.112 34.548 43.691 1.00 0.00 H new ATOM 439 N ALA A 28 37.045 32.701 47.924 1.00 0.00 N ATOM 440 CA ALA A 28 37.140 32.158 49.277 1.00 0.00 C ATOM 441 C ALA A 28 36.638 33.145 50.357 1.00 0.00 C ATOM 442 O ALA A 28 35.773 32.814 51.145 1.00 0.00 O ATOM 443 CB ALA A 28 38.607 31.772 49.527 1.00 0.00 C ATOM 0 H ALA A 28 37.915 32.615 47.398 1.00 0.00 H new ATOM 0 HA ALA A 28 36.491 31.286 49.352 1.00 0.00 H new ATOM 0 HB1 ALA A 28 38.709 31.362 50.532 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.916 31.024 48.797 1.00 0.00 H new ATOM 0 HB3 ALA A 28 39.237 32.656 49.430 1.00 0.00 H new ATOM 449 N SER A 29 37.160 34.369 50.356 1.00 0.00 N ATOM 450 CA SER A 29 36.761 35.434 51.287 1.00 0.00 C ATOM 451 C SER A 29 35.798 36.446 50.646 1.00 0.00 C ATOM 452 O SER A 29 35.457 37.465 51.249 1.00 0.00 O ATOM 453 CB SER A 29 38.044 36.035 51.874 1.00 0.00 C ATOM 454 OG SER A 29 37.836 37.111 52.779 1.00 0.00 O ATOM 0 H SER A 29 37.885 34.659 49.699 1.00 0.00 H new ATOM 0 HA SER A 29 36.168 35.033 52.109 1.00 0.00 H new ATOM 0 HB2 SER A 29 38.596 35.248 52.388 1.00 0.00 H new ATOM 0 HB3 SER A 29 38.673 36.383 51.055 1.00 0.00 H new ATOM 0 HG SER A 29 36.995 37.564 52.561 1.00 0.00 H new ATOM 460 N ASN A 30 35.357 36.189 49.410 1.00 0.00 N ATOM 461 CA ASN A 30 34.458 37.038 48.634 1.00 0.00 C ATOM 462 C ASN A 30 34.898 38.520 48.565 1.00 0.00 C ATOM 463 O ASN A 30 34.107 39.449 48.780 1.00 0.00 O ATOM 464 CB ASN A 30 33.018 36.778 49.137 1.00 0.00 C ATOM 465 CG ASN A 30 31.955 37.252 48.174 1.00 0.00 C ATOM 466 OD1 ASN A 30 31.439 36.523 47.356 1.00 0.00 O ATOM 467 ND2 ASN A 30 31.626 38.520 48.173 1.00 0.00 N ATOM 0 H ASN A 30 35.631 35.346 48.905 1.00 0.00 H new ATOM 0 HA ASN A 30 34.498 36.768 47.579 1.00 0.00 H new ATOM 0 HB2 ASN A 30 32.889 35.710 49.313 1.00 0.00 H new ATOM 0 HB3 ASN A 30 32.879 37.278 50.096 1.00 0.00 H new ATOM 0 HD21 ASN A 30 30.950 38.871 47.494 1.00 0.00 H new ATOM 0 HD22 ASN A 30 32.045 39.156 48.851 1.00 0.00 H new ATOM 474 N LYS A 31 36.183 38.773 48.279 1.00 0.00 N ATOM 475 CA LYS A 31 36.737 40.134 48.125 1.00 0.00 C ATOM 476 C LYS A 31 37.791 40.211 47.037 1.00 0.00 C ATOM 477 O LYS A 31 38.220 39.184 46.526 1.00 0.00 O ATOM 478 CB LYS A 31 37.223 40.704 49.486 1.00 0.00 C ATOM 479 CG LYS A 31 38.697 40.461 49.863 1.00 0.00 C ATOM 480 CD LYS A 31 39.002 38.988 50.098 1.00 0.00 C ATOM 481 CE LYS A 31 40.501 38.702 50.287 1.00 0.00 C ATOM 482 NZ LYS A 31 41.008 39.230 51.579 1.00 0.00 N ATOM 0 H LYS A 31 36.876 38.036 48.146 1.00 0.00 H new ATOM 0 HA LYS A 31 35.926 40.779 47.788 1.00 0.00 H new ATOM 0 HB2 LYS A 31 37.047 41.780 49.484 1.00 0.00 H new ATOM 0 HB3 LYS A 31 36.598 40.280 50.272 1.00 0.00 H new ATOM 0 HG2 LYS A 31 39.339 40.840 49.068 1.00 0.00 H new ATOM 0 HG3 LYS A 31 38.937 41.027 50.763 1.00 0.00 H new ATOM 0 HD2 LYS A 31 38.460 38.648 50.980 1.00 0.00 H new ATOM 0 HD3 LYS A 31 38.632 38.408 49.253 1.00 0.00 H new ATOM 0 HE2 LYS A 31 40.674 37.627 50.242 1.00 0.00 H new ATOM 0 HE3 LYS A 31 41.062 39.150 49.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 42.022 39.016 51.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 40.867 40.260 51.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 40.491 38.784 52.363 1.00 0.00 H new ATOM 496 N CYS A 32 38.230 41.407 46.684 1.00 0.00 N ATOM 497 CA CYS A 32 39.339 41.617 45.744 1.00 0.00 C ATOM 498 C CYS A 32 40.580 42.110 46.492 1.00 0.00 C ATOM 499 O CYS A 32 40.443 42.887 47.435 1.00 0.00 O ATOM 500 CB CYS A 32 38.916 42.603 44.665 1.00 0.00 C ATOM 501 SG CYS A 32 37.315 42.248 43.906 1.00 0.00 S ATOM 0 H CYS A 32 37.828 42.274 47.041 1.00 0.00 H new ATOM 0 HA CYS A 32 39.593 40.672 45.264 1.00 0.00 H new ATOM 0 HB2 CYS A 32 38.884 43.603 45.098 1.00 0.00 H new ATOM 0 HB3 CYS A 32 39.678 42.617 43.885 1.00 0.00 H new ATOM 506 N LYS A 33 41.773 41.699 46.037 1.00 0.00 N ATOM 507 CA LYS A 33 43.059 42.208 46.536 1.00 0.00 C ATOM 508 C LYS A 33 43.900 42.751 45.383 1.00 0.00 C ATOM 509 O LYS A 33 43.598 42.477 44.221 1.00 0.00 O ATOM 510 CB LYS A 33 43.809 41.128 47.353 1.00 0.00 C ATOM 511 CG LYS A 33 44.565 40.107 46.499 1.00 0.00 C ATOM 512 CD LYS A 33 45.294 39.058 47.346 1.00 0.00 C ATOM 513 CE LYS A 33 46.200 38.147 46.493 1.00 0.00 C ATOM 514 NZ LYS A 33 47.504 38.749 46.120 1.00 0.00 N ATOM 0 H LYS A 33 41.873 40.996 45.304 1.00 0.00 H new ATOM 0 HA LYS A 33 42.866 43.036 47.218 1.00 0.00 H new ATOM 0 HB2 LYS A 33 44.516 41.620 48.022 1.00 0.00 H new ATOM 0 HB3 LYS A 33 43.091 40.600 47.980 1.00 0.00 H new ATOM 0 HG2 LYS A 33 43.864 39.607 45.831 1.00 0.00 H new ATOM 0 HG3 LYS A 33 45.287 40.628 45.871 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.896 39.560 48.103 1.00 0.00 H new ATOM 0 HD3 LYS A 33 44.562 38.447 47.874 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.385 37.223 47.042 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.666 37.875 45.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 47.848 38.314 45.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 47.386 39.772 45.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 48.193 38.583 46.881 1.00 0.00 H new ATOM 528 N GLU A 34 44.948 43.475 45.723 1.00 0.00 N ATOM 529 CA GLU A 34 45.985 43.935 44.807 1.00 0.00 C ATOM 530 C GLU A 34 47.181 42.964 44.862 1.00 0.00 C ATOM 531 O GLU A 34 47.601 42.537 45.940 1.00 0.00 O ATOM 532 CB GLU A 34 46.366 45.365 45.188 1.00 0.00 C ATOM 533 CG GLU A 34 47.235 46.061 44.134 1.00 0.00 C ATOM 534 CD GLU A 34 47.574 47.482 44.595 1.00 0.00 C ATOM 535 OE1 GLU A 34 48.567 47.603 45.335 1.00 0.00 O ATOM 536 OE2 GLU A 34 46.805 48.411 44.250 1.00 0.00 O ATOM 0 H GLU A 34 45.111 43.774 46.684 1.00 0.00 H new ATOM 0 HA GLU A 34 45.631 43.946 43.776 1.00 0.00 H new ATOM 0 HB2 GLU A 34 45.457 45.947 45.342 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.900 45.351 46.138 1.00 0.00 H new ATOM 0 HG2 GLU A 34 48.151 45.493 43.973 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.709 46.094 43.180 1.00 0.00 H new ATOM 543 N PHE A 35 47.700 42.565 43.711 1.00 0.00 N ATOM 544 CA PHE A 35 48.909 41.770 43.563 1.00 0.00 C ATOM 545 C PHE A 35 49.837 42.437 42.540 1.00 0.00 C ATOM 546 O PHE A 35 49.381 43.157 41.646 1.00 0.00 O ATOM 547 CB PHE A 35 48.588 40.311 43.193 1.00 0.00 C ATOM 548 CG PHE A 35 48.282 40.060 41.721 1.00 0.00 C ATOM 549 CD1 PHE A 35 46.962 40.022 41.262 1.00 0.00 C ATOM 550 CD2 PHE A 35 49.344 39.840 40.828 1.00 0.00 C ATOM 551 CE1 PHE A 35 46.694 39.725 39.911 1.00 0.00 C ATOM 552 CE2 PHE A 35 49.065 39.592 39.466 1.00 0.00 C ATOM 553 CZ PHE A 35 47.746 39.494 39.018 1.00 0.00 C ATOM 0 H PHE A 35 47.271 42.797 42.815 1.00 0.00 H new ATOM 0 HA PHE A 35 49.426 41.730 44.522 1.00 0.00 H new ATOM 0 HB2 PHE A 35 49.433 39.687 43.482 1.00 0.00 H new ATOM 0 HB3 PHE A 35 47.733 39.984 43.785 1.00 0.00 H new ATOM 0 HD1 PHE A 35 46.148 40.220 41.943 1.00 0.00 H new ATOM 0 HD2 PHE A 35 50.365 39.860 41.180 1.00 0.00 H new ATOM 0 HE1 PHE A 35 45.673 39.675 39.563 1.00 0.00 H new ATOM 0 HE2 PHE A 35 49.879 39.477 38.765 1.00 0.00 H new ATOM 0 HZ PHE A 35 47.539 39.241 37.989 1.00 0.00 H new ATOM 563 N ILE A 36 51.137 42.198 42.634 1.00 0.00 N ATOM 564 CA ILE A 36 52.095 42.706 41.655 1.00 0.00 C ATOM 565 C ILE A 36 52.317 41.666 40.559 1.00 0.00 C ATOM 566 O ILE A 36 52.809 40.574 40.831 1.00 0.00 O ATOM 567 CB ILE A 36 53.387 43.168 42.335 1.00 0.00 C ATOM 568 CG1 ILE A 36 53.181 44.511 43.085 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.539 43.306 41.328 1.00 0.00 C ATOM 570 CD1 ILE A 36 52.671 45.681 42.231 1.00 0.00 C ATOM 0 H ILE A 36 51.558 41.651 43.385 1.00 0.00 H new ATOM 0 HA ILE A 36 51.688 43.594 41.171 1.00 0.00 H new ATOM 0 HB ILE A 36 53.654 42.399 43.060 1.00 0.00 H new ATOM 0 HG12 ILE A 36 52.476 44.346 43.900 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.129 44.802 43.538 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.439 43.636 41.847 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.726 42.342 40.855 1.00 0.00 H new ATOM 0 HG23 ILE A 36 54.271 44.038 40.567 1.00 0.00 H new ATOM 0 HD11 ILE A 36 52.563 46.568 42.856 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.383 45.885 41.431 1.00 0.00 H new ATOM 0 HD13 ILE A 36 51.704 45.422 41.799 1.00 0.00 H new ATOM 582 N TYR A 37 51.991 42.050 39.334 1.00 0.00 N ATOM 583 CA TYR A 37 52.214 41.278 38.123 1.00 0.00 C ATOM 584 C TYR A 37 53.625 41.457 37.571 1.00 0.00 C ATOM 585 O TYR A 37 54.235 42.524 37.694 1.00 0.00 O ATOM 586 CB TYR A 37 51.093 41.602 37.132 1.00 0.00 C ATOM 587 CG TYR A 37 51.157 40.837 35.837 1.00 0.00 C ATOM 588 CD1 TYR A 37 50.439 39.629 35.694 1.00 0.00 C ATOM 589 CD2 TYR A 37 51.937 41.312 34.775 1.00 0.00 C ATOM 590 CE1 TYR A 37 50.531 38.897 34.500 1.00 0.00 C ATOM 591 CE2 TYR A 37 51.989 40.609 33.559 1.00 0.00 C ATOM 592 CZ TYR A 37 51.301 39.381 33.427 1.00 0.00 C ATOM 593 OH TYR A 37 51.362 38.689 32.261 1.00 0.00 O ATOM 0 H TYR A 37 51.544 42.948 39.150 1.00 0.00 H new ATOM 0 HA TYR A 37 52.165 40.211 38.341 1.00 0.00 H new ATOM 0 HB2 TYR A 37 50.134 41.400 37.610 1.00 0.00 H new ATOM 0 HB3 TYR A 37 51.120 42.669 36.910 1.00 0.00 H new ATOM 0 HD1 TYR A 37 49.820 39.269 36.502 1.00 0.00 H new ATOM 0 HD2 TYR A 37 52.502 42.225 34.891 1.00 0.00 H new ATOM 0 HE1 TYR A 37 50.008 37.957 34.405 1.00 0.00 H new ATOM 0 HE2 TYR A 37 52.553 41.006 32.728 1.00 0.00 H new ATOM 0 HH TYR A 37 51.937 39.166 31.627 1.00 0.00 H new ATOM 603 N GLY A 38 54.146 40.379 36.973 1.00 0.00 N ATOM 604 CA GLY A 38 55.461 40.346 36.342 1.00 0.00 C ATOM 605 C GLY A 38 55.401 40.717 34.863 1.00 0.00 C ATOM 606 O GLY A 38 55.501 41.871 34.473 1.00 0.00 O ATOM 0 H GLY A 38 53.651 39.489 36.916 1.00 0.00 H new ATOM 0 HA2 GLY A 38 56.128 41.035 36.861 1.00 0.00 H new ATOM 0 HA3 GLY A 38 55.888 39.349 36.447 1.00 0.00 H new ATOM 610 N GLY A 39 55.267 39.680 34.030 1.00 0.00 N ATOM 611 CA GLY A 39 55.368 39.793 32.569 1.00 0.00 C ATOM 612 C GLY A 39 55.594 38.470 31.849 1.00 0.00 C ATOM 613 O GLY A 39 55.810 38.478 30.643 1.00 0.00 O ATOM 0 H GLY A 39 55.084 38.730 34.352 1.00 0.00 H new ATOM 0 HA2 GLY A 39 54.454 40.248 32.188 1.00 0.00 H new ATOM 0 HA3 GLY A 39 56.187 40.470 32.325 1.00 0.00 H new ATOM 617 N CYS A 40 55.566 37.343 32.561 1.00 0.00 N ATOM 618 CA CYS A 40 55.878 36.025 32.012 1.00 0.00 C ATOM 619 C CYS A 40 54.922 34.990 32.621 1.00 0.00 C ATOM 620 O CYS A 40 55.202 34.432 33.688 1.00 0.00 O ATOM 621 CB CYS A 40 57.345 35.660 32.302 1.00 0.00 C ATOM 622 SG CYS A 40 58.565 36.920 31.865 1.00 0.00 S ATOM 0 H CYS A 40 55.322 37.321 33.551 1.00 0.00 H new ATOM 0 HA CYS A 40 55.747 36.036 30.930 1.00 0.00 H new ATOM 0 HB2 CYS A 40 57.442 35.439 33.365 1.00 0.00 H new ATOM 0 HB3 CYS A 40 57.586 34.744 31.763 1.00 0.00 H new ATOM 627 N GLY A 41 53.788 34.779 31.950 1.00 0.00 N ATOM 628 CA GLY A 41 52.693 33.940 32.432 1.00 0.00 C ATOM 629 C GLY A 41 51.678 34.710 33.275 1.00 0.00 C ATOM 630 O GLY A 41 51.969 35.792 33.791 1.00 0.00 O ATOM 0 H GLY A 41 53.603 35.196 31.038 1.00 0.00 H new ATOM 0 HA2 GLY A 41 52.183 33.492 31.579 1.00 0.00 H new ATOM 0 HA3 GLY A 41 53.103 33.122 33.024 1.00 0.00 H new ATOM 634 N GLY A 42 50.480 34.143 33.369 1.00 0.00 N ATOM 635 CA GLY A 42 49.389 34.681 34.155 1.00 0.00 C ATOM 636 C GLY A 42 48.052 34.064 33.757 1.00 0.00 C ATOM 637 O GLY A 42 47.799 33.810 32.575 1.00 0.00 O ATOM 0 H GLY A 42 50.241 33.276 32.887 1.00 0.00 H new ATOM 0 HA2 GLY A 42 49.576 34.495 35.213 1.00 0.00 H new ATOM 0 HA3 GLY A 42 49.345 35.762 34.025 1.00 0.00 H new ATOM 641 N ASN A 43 47.192 33.807 34.733 1.00 0.00 N ATOM 642 CA ASN A 43 45.840 33.323 34.512 1.00 0.00 C ATOM 643 C ASN A 43 44.881 34.448 34.059 1.00 0.00 C ATOM 644 O ASN A 43 45.278 35.587 33.836 1.00 0.00 O ATOM 645 CB ASN A 43 45.366 32.615 35.795 1.00 0.00 C ATOM 646 CG ASN A 43 45.054 33.565 36.941 1.00 0.00 C ATOM 647 OD1 ASN A 43 45.316 34.747 36.924 1.00 0.00 O ATOM 648 ND2 ASN A 43 44.385 33.080 37.946 1.00 0.00 N ATOM 0 H ASN A 43 47.421 33.932 35.719 1.00 0.00 H new ATOM 0 HA ASN A 43 45.837 32.608 33.689 1.00 0.00 H new ATOM 0 HB2 ASN A 43 44.475 32.030 35.568 1.00 0.00 H new ATOM 0 HB3 ASN A 43 46.135 31.913 36.117 1.00 0.00 H new ATOM 0 HD21 ASN A 43 44.089 33.693 38.705 1.00 0.00 H new ATOM 0 HD22 ASN A 43 44.157 32.086 37.975 1.00 0.00 H new ATOM 655 N ALA A 44 43.574 34.168 33.995 1.00 0.00 N ATOM 656 CA ALA A 44 42.544 35.165 33.683 1.00 0.00 C ATOM 657 C ALA A 44 42.141 36.066 34.867 1.00 0.00 C ATOM 658 O ALA A 44 41.217 36.877 34.751 1.00 0.00 O ATOM 659 CB ALA A 44 41.353 34.445 33.040 1.00 0.00 C ATOM 0 H ALA A 44 43.198 33.234 34.160 1.00 0.00 H new ATOM 0 HA ALA A 44 42.968 35.877 32.975 1.00 0.00 H new ATOM 0 HB1 ALA A 44 40.575 35.170 32.800 1.00 0.00 H new ATOM 0 HB2 ALA A 44 41.679 33.947 32.127 1.00 0.00 H new ATOM 0 HB3 ALA A 44 40.957 33.705 33.735 1.00 0.00 H new ATOM 665 N ASN A 45 42.806 35.972 36.024 1.00 0.00 N ATOM 666 CA ASN A 45 42.604 36.893 37.153 1.00 0.00 C ATOM 667 C ASN A 45 43.606 38.040 37.153 1.00 0.00 C ATOM 668 O ASN A 45 44.202 38.364 38.171 1.00 0.00 O ATOM 669 CB ASN A 45 42.560 36.138 38.487 1.00 0.00 C ATOM 670 CG ASN A 45 41.268 35.455 38.801 1.00 0.00 C ATOM 671 OD1 ASN A 45 41.220 34.458 39.480 1.00 0.00 O ATOM 672 ND2 ASN A 45 40.151 36.041 38.455 1.00 0.00 N ATOM 0 H ASN A 45 43.504 35.251 36.206 1.00 0.00 H new ATOM 0 HA ASN A 45 41.627 37.359 37.023 1.00 0.00 H new ATOM 0 HB2 ASN A 45 43.354 35.392 38.488 1.00 0.00 H new ATOM 0 HB3 ASN A 45 42.783 36.841 39.289 1.00 0.00 H new ATOM 0 HD21 ASN A 45 39.257 35.655 38.759 1.00 0.00 H new ATOM 0 HD22 ASN A 45 40.174 36.884 37.882 1.00 0.00 H new ATOM 679 N ASN A 46 43.757 38.709 36.003 1.00 0.00 N ATOM 680 CA ASN A 46 44.602 39.882 35.840 1.00 0.00 C ATOM 681 C ASN A 46 43.736 41.144 35.716 1.00 0.00 C ATOM 682 O ASN A 46 43.645 41.743 34.662 1.00 0.00 O ATOM 683 CB ASN A 46 45.560 39.636 34.665 1.00 0.00 C ATOM 684 CG ASN A 46 44.861 39.346 33.345 1.00 0.00 C ATOM 685 OD1 ASN A 46 44.654 40.188 32.504 1.00 0.00 O ATOM 686 ND2 ASN A 46 44.496 38.118 33.080 1.00 0.00 N ATOM 0 H ASN A 46 43.280 38.437 35.143 1.00 0.00 H new ATOM 0 HA ASN A 46 45.225 40.055 36.717 1.00 0.00 H new ATOM 0 HB2 ASN A 46 46.199 40.511 34.541 1.00 0.00 H new ATOM 0 HB3 ASN A 46 46.212 38.798 34.911 1.00 0.00 H new ATOM 0 HD21 ASN A 46 44.053 37.899 32.188 1.00 0.00 H new ATOM 0 HD22 ASN A 46 44.654 37.380 33.766 1.00 0.00 H new ATOM 693 N PHE A 47 43.059 41.540 36.794 1.00 0.00 N ATOM 694 CA PHE A 47 42.191 42.723 36.742 1.00 0.00 C ATOM 695 C PHE A 47 42.969 44.031 36.865 1.00 0.00 C ATOM 696 O PHE A 47 43.963 44.102 37.586 1.00 0.00 O ATOM 697 CB PHE A 47 41.137 42.687 37.840 1.00 0.00 C ATOM 698 CG PHE A 47 40.391 41.396 38.048 1.00 0.00 C ATOM 699 CD1 PHE A 47 40.051 40.543 36.986 1.00 0.00 C ATOM 700 CD2 PHE A 47 39.985 41.088 39.346 1.00 0.00 C ATOM 701 CE1 PHE A 47 39.304 39.382 37.232 1.00 0.00 C ATOM 702 CE2 PHE A 47 39.158 39.996 39.568 1.00 0.00 C ATOM 703 CZ PHE A 47 38.817 39.124 38.527 1.00 0.00 C ATOM 0 H PHE A 47 43.091 41.071 37.699 1.00 0.00 H new ATOM 0 HA PHE A 47 41.713 42.691 35.763 1.00 0.00 H new ATOM 0 HB2 PHE A 47 41.622 42.950 38.780 1.00 0.00 H new ATOM 0 HB3 PHE A 47 40.406 43.467 37.629 1.00 0.00 H new ATOM 0 HD1 PHE A 47 40.365 40.781 35.980 1.00 0.00 H new ATOM 0 HD2 PHE A 47 40.313 41.697 40.175 1.00 0.00 H new ATOM 0 HE1 PHE A 47 39.103 38.688 36.430 1.00 0.00 H new ATOM 0 HE2 PHE A 47 38.771 39.816 40.560 1.00 0.00 H new ATOM 0 HZ PHE A 47 38.189 38.266 38.715 1.00 0.00 H new ATOM 713 N GLU A 48 42.413 45.097 36.312 1.00 0.00 N ATOM 714 CA GLU A 48 43.013 46.433 36.370 1.00 0.00 C ATOM 715 C GLU A 48 42.917 47.059 37.766 1.00 0.00 C ATOM 716 O GLU A 48 43.902 47.556 38.309 1.00 0.00 O ATOM 717 CB GLU A 48 42.339 47.348 35.327 1.00 0.00 C ATOM 718 CG GLU A 48 42.474 46.841 33.879 1.00 0.00 C ATOM 719 CD GLU A 48 43.935 46.594 33.506 1.00 0.00 C ATOM 720 OE1 GLU A 48 44.475 45.524 33.878 1.00 0.00 O ATOM 721 OE2 GLU A 48 44.570 47.518 32.962 1.00 0.00 O ATOM 0 H GLU A 48 41.528 45.066 35.806 1.00 0.00 H new ATOM 0 HA GLU A 48 44.074 46.328 36.143 1.00 0.00 H new ATOM 0 HB2 GLU A 48 41.281 47.445 35.571 1.00 0.00 H new ATOM 0 HB3 GLU A 48 42.775 48.345 35.396 1.00 0.00 H new ATOM 0 HG2 GLU A 48 41.906 45.918 33.761 1.00 0.00 H new ATOM 0 HG3 GLU A 48 42.041 47.571 33.195 1.00 0.00 H new ATOM 728 N THR A 49 41.724 47.052 38.360 1.00 0.00 N ATOM 729 CA THR A 49 41.470 47.636 39.694 1.00 0.00 C ATOM 730 C THR A 49 40.299 46.952 40.411 1.00 0.00 C ATOM 731 O THR A 49 39.577 46.116 39.861 1.00 0.00 O ATOM 732 CB THR A 49 41.210 49.154 39.639 1.00 0.00 C ATOM 733 OG1 THR A 49 40.075 49.421 38.848 1.00 0.00 O ATOM 734 CG2 THR A 49 42.365 50.012 39.148 1.00 0.00 C ATOM 0 H THR A 49 40.895 46.640 37.933 1.00 0.00 H new ATOM 0 HA THR A 49 42.385 47.463 40.261 1.00 0.00 H new ATOM 0 HB THR A 49 41.059 49.438 40.681 1.00 0.00 H new ATOM 0 HG1 THR A 49 39.916 50.388 38.820 1.00 0.00 H new ATOM 0 HG21 THR A 49 42.067 51.060 39.152 1.00 0.00 H new ATOM 0 HG22 THR A 49 43.224 49.877 39.805 1.00 0.00 H new ATOM 0 HG23 THR A 49 42.634 49.715 38.134 1.00 0.00 H new ATOM 742 N ARG A 50 40.028 47.384 41.647 1.00 0.00 N ATOM 743 CA ARG A 50 38.834 47.010 42.418 1.00 0.00 C ATOM 744 C ARG A 50 37.507 47.277 41.693 1.00 0.00 C ATOM 745 O ARG A 50 36.473 46.718 42.071 1.00 0.00 O ATOM 746 CB ARG A 50 38.808 47.756 43.764 1.00 0.00 C ATOM 747 CG ARG A 50 40.101 47.631 44.586 1.00 0.00 C ATOM 748 CD ARG A 50 39.986 48.307 45.961 1.00 0.00 C ATOM 749 NE ARG A 50 39.758 49.763 45.848 1.00 0.00 N ATOM 750 CZ ARG A 50 39.360 50.570 46.824 1.00 0.00 C ATOM 751 NH1 ARG A 50 39.127 50.131 48.028 1.00 0.00 N ATOM 752 NH2 ARG A 50 39.196 51.844 46.596 1.00 0.00 N ATOM 0 H ARG A 50 40.646 48.018 42.152 1.00 0.00 H new ATOM 0 HA ARG A 50 38.915 45.933 42.562 1.00 0.00 H new ATOM 0 HB2 ARG A 50 38.612 48.812 43.576 1.00 0.00 H new ATOM 0 HB3 ARG A 50 37.976 47.378 44.359 1.00 0.00 H new ATOM 0 HG2 ARG A 50 40.342 46.577 44.721 1.00 0.00 H new ATOM 0 HG3 ARG A 50 40.926 48.078 44.032 1.00 0.00 H new ATOM 0 HD2 ARG A 50 39.166 47.855 46.519 1.00 0.00 H new ATOM 0 HD3 ARG A 50 40.898 48.126 46.531 1.00 0.00 H new ATOM 0 HE ARG A 50 39.922 50.187 44.935 1.00 0.00 H new ATOM 0 HH11 ARG A 50 39.249 49.141 48.243 1.00 0.00 H new ATOM 0 HH12 ARG A 50 38.822 50.777 48.756 1.00 0.00 H new ATOM 0 HH21 ARG A 50 39.374 52.223 45.666 1.00 0.00 H new ATOM 0 HH22 ARG A 50 38.890 52.461 47.348 1.00 0.00 H new ATOM 766 N ALA A 51 37.483 48.168 40.695 1.00 0.00 N ATOM 767 CA ALA A 51 36.288 48.425 39.894 1.00 0.00 C ATOM 768 C ALA A 51 36.038 47.274 38.910 1.00 0.00 C ATOM 769 O ALA A 51 34.952 46.686 38.907 1.00 0.00 O ATOM 770 CB ALA A 51 36.444 49.772 39.181 1.00 0.00 C ATOM 0 H ALA A 51 38.291 48.728 40.423 1.00 0.00 H new ATOM 0 HA ALA A 51 35.412 48.479 40.540 1.00 0.00 H new ATOM 0 HB1 ALA A 51 35.556 49.971 38.581 1.00 0.00 H new ATOM 0 HB2 ALA A 51 36.567 50.563 39.921 1.00 0.00 H new ATOM 0 HB3 ALA A 51 37.320 49.742 38.533 1.00 0.00 H new ATOM 776 N GLU A 52 37.059 46.916 38.129 1.00 0.00 N ATOM 777 CA GLU A 52 37.007 45.797 37.199 1.00 0.00 C ATOM 778 C GLU A 52 36.811 44.469 37.910 1.00 0.00 C ATOM 779 O GLU A 52 35.956 43.695 37.495 1.00 0.00 O ATOM 780 CB GLU A 52 38.276 45.780 36.347 1.00 0.00 C ATOM 781 CG GLU A 52 38.226 44.571 35.418 1.00 0.00 C ATOM 782 CD GLU A 52 39.299 44.698 34.359 1.00 0.00 C ATOM 783 OE1 GLU A 52 40.357 44.110 34.614 1.00 0.00 O ATOM 784 OE2 GLU A 52 39.024 45.438 33.399 1.00 0.00 O ATOM 0 H GLU A 52 37.955 47.404 38.128 1.00 0.00 H new ATOM 0 HA GLU A 52 36.140 45.934 36.553 1.00 0.00 H new ATOM 0 HB2 GLU A 52 38.354 46.699 35.767 1.00 0.00 H new ATOM 0 HB3 GLU A 52 39.159 45.730 36.985 1.00 0.00 H new ATOM 0 HG2 GLU A 52 38.372 43.655 35.990 1.00 0.00 H new ATOM 0 HG3 GLU A 52 37.245 44.501 34.949 1.00 0.00 H new ATOM 791 N CYS A 53 37.457 44.246 39.069 1.00 0.00 N ATOM 792 CA CYS A 53 37.310 42.989 39.810 1.00 0.00 C ATOM 793 C CYS A 53 35.846 42.604 40.095 1.00 0.00 C ATOM 794 O CYS A 53 35.463 41.433 40.169 1.00 0.00 O ATOM 795 CB CYS A 53 38.090 43.090 41.126 1.00 0.00 C ATOM 796 SG CYS A 53 37.174 43.741 42.554 1.00 0.00 S ATOM 0 H CYS A 53 38.083 44.921 39.508 1.00 0.00 H new ATOM 0 HA CYS A 53 37.711 42.198 39.177 1.00 0.00 H new ATOM 0 HB2 CYS A 53 38.462 42.098 41.381 1.00 0.00 H new ATOM 0 HB3 CYS A 53 38.961 43.724 40.960 1.00 0.00 H new ATOM 801 N ARG A 54 34.985 43.631 40.226 1.00 0.00 N ATOM 802 CA ARG A 54 33.543 43.484 40.367 1.00 0.00 C ATOM 803 C ARG A 54 32.895 43.204 39.027 1.00 0.00 C ATOM 804 O ARG A 54 32.113 42.276 38.918 1.00 0.00 O ATOM 805 CB ARG A 54 32.969 44.733 41.031 1.00 0.00 C ATOM 806 CG ARG A 54 33.547 44.944 42.440 1.00 0.00 C ATOM 807 CD ARG A 54 33.033 46.233 43.064 1.00 0.00 C ATOM 808 NE ARG A 54 31.597 46.129 43.385 1.00 0.00 N ATOM 809 CZ ARG A 54 30.876 47.046 44.001 1.00 0.00 C ATOM 810 NH1 ARG A 54 31.390 48.187 44.361 1.00 0.00 N ATOM 811 NH2 ARG A 54 29.631 46.823 44.288 1.00 0.00 N ATOM 0 H ARG A 54 35.290 44.604 40.236 1.00 0.00 H new ATOM 0 HA ARG A 54 33.326 42.627 41.005 1.00 0.00 H new ATOM 0 HB2 ARG A 54 33.186 45.605 40.414 1.00 0.00 H new ATOM 0 HB3 ARG A 54 31.884 44.647 41.092 1.00 0.00 H new ATOM 0 HG2 ARG A 54 33.280 44.099 43.075 1.00 0.00 H new ATOM 0 HG3 ARG A 54 34.635 44.972 42.388 1.00 0.00 H new ATOM 0 HD2 ARG A 54 33.597 46.452 43.971 1.00 0.00 H new ATOM 0 HD3 ARG A 54 33.197 47.064 42.378 1.00 0.00 H new ATOM 0 HE ARG A 54 31.119 45.272 43.106 1.00 0.00 H new ATOM 0 HH11 ARG A 54 32.371 48.388 44.168 1.00 0.00 H new ATOM 0 HH12 ARG A 54 30.811 48.880 44.836 1.00 0.00 H new ATOM 0 HH21 ARG A 54 29.201 45.932 44.037 1.00 0.00 H new ATOM 0 HH22 ARG A 54 29.081 47.538 44.764 1.00 0.00 H new ATOM 825 N HIS A 55 33.202 43.996 37.999 1.00 0.00 N ATOM 826 CA HIS A 55 32.643 43.796 36.650 1.00 0.00 C ATOM 827 C HIS A 55 33.006 42.437 36.033 1.00 0.00 C ATOM 828 O HIS A 55 32.207 41.917 35.275 1.00 0.00 O ATOM 829 CB HIS A 55 33.024 44.972 35.745 1.00 0.00 C ATOM 830 CG HIS A 55 32.180 46.211 35.993 1.00 0.00 C ATOM 831 ND1 HIS A 55 31.376 46.818 35.053 1.00 0.00 N ATOM 832 CD2 HIS A 55 32.189 47.003 37.108 1.00 0.00 C ATOM 833 CE1 HIS A 55 30.926 47.975 35.571 1.00 0.00 C ATOM 834 NE2 HIS A 55 31.407 48.112 36.830 1.00 0.00 N ATOM 0 H HIS A 55 33.839 44.789 38.070 1.00 0.00 H new ATOM 0 HA HIS A 55 31.558 43.773 36.747 1.00 0.00 H new ATOM 0 HB2 HIS A 55 34.074 45.218 35.901 1.00 0.00 H new ATOM 0 HB3 HIS A 55 32.919 44.670 34.703 1.00 0.00 H new ATOM 0 HD2 HIS A 55 32.709 46.801 38.033 1.00 0.00 H new ATOM 0 HE1 HIS A 55 30.284 48.681 35.065 1.00 0.00 H new ATOM 0 HE2 HIS A 55 31.226 48.893 37.461 1.00 0.00 H new ATOM 843 N THR A 56 34.132 41.842 36.440 1.00 0.00 N ATOM 844 CA THR A 56 34.623 40.546 35.935 1.00 0.00 C ATOM 845 C THR A 56 34.183 39.348 36.779 1.00 0.00 C ATOM 846 O THR A 56 34.142 38.238 36.259 1.00 0.00 O ATOM 847 CB THR A 56 36.155 40.594 35.818 1.00 0.00 C ATOM 848 OG1 THR A 56 36.520 41.805 35.203 1.00 0.00 O ATOM 849 CG2 THR A 56 36.723 39.471 34.952 1.00 0.00 C ATOM 0 H THR A 56 34.744 42.253 37.145 1.00 0.00 H new ATOM 0 HA THR A 56 34.172 40.394 34.954 1.00 0.00 H new ATOM 0 HB THR A 56 36.552 40.491 36.828 1.00 0.00 H new ATOM 0 HG1 THR A 56 36.497 42.528 35.865 1.00 0.00 H new ATOM 0 HG21 THR A 56 37.809 39.559 34.908 1.00 0.00 H new ATOM 0 HG22 THR A 56 36.454 38.507 35.384 1.00 0.00 H new ATOM 0 HG23 THR A 56 36.312 39.545 33.945 1.00 0.00 H new ATOM 857 N CYS A 57 33.793 39.530 38.047 1.00 0.00 N ATOM 858 CA CYS A 57 33.332 38.423 38.888 1.00 0.00 C ATOM 859 C CYS A 57 32.062 38.750 39.694 1.00 0.00 C ATOM 860 O CYS A 57 31.069 38.041 39.576 1.00 0.00 O ATOM 861 CB CYS A 57 34.497 37.918 39.764 1.00 0.00 C ATOM 862 SG CYS A 57 34.485 36.121 39.978 1.00 0.00 S ATOM 0 H CYS A 57 33.788 40.438 38.512 1.00 0.00 H new ATOM 0 HA CYS A 57 33.021 37.610 38.232 1.00 0.00 H new ATOM 0 HB2 CYS A 57 35.442 38.219 39.313 1.00 0.00 H new ATOM 0 HB3 CYS A 57 34.444 38.396 40.742 1.00 0.00 H new ATOM 867 N VAL A 58 32.027 39.845 40.463 1.00 0.00 N ATOM 868 CA VAL A 58 30.885 40.223 41.321 1.00 0.00 C ATOM 869 C VAL A 58 30.244 41.572 40.930 1.00 0.00 C ATOM 870 O VAL A 58 30.443 42.635 41.535 1.00 0.00 O ATOM 871 CB VAL A 58 31.263 40.085 42.812 1.00 0.00 C ATOM 872 CG1 VAL A 58 32.489 40.921 43.214 1.00 0.00 C ATOM 873 CG2 VAL A 58 30.090 40.415 43.740 1.00 0.00 C ATOM 0 H VAL A 58 32.801 40.507 40.511 1.00 0.00 H new ATOM 0 HA VAL A 58 30.076 39.514 41.145 1.00 0.00 H new ATOM 0 HB VAL A 58 31.527 39.034 42.933 1.00 0.00 H new ATOM 0 HG11 VAL A 58 32.697 40.776 44.274 1.00 0.00 H new ATOM 0 HG12 VAL A 58 33.352 40.605 42.628 1.00 0.00 H new ATOM 0 HG13 VAL A 58 32.288 41.976 43.025 1.00 0.00 H new ATOM 0 HG21 VAL A 58 30.405 40.304 44.778 1.00 0.00 H new ATOM 0 HG22 VAL A 58 29.767 41.441 43.567 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.263 39.735 43.537 1.00 0.00 H new ATOM 883 N ALA A 59 29.437 41.526 39.863 1.00 0.00 N ATOM 884 CA ALA A 59 28.721 42.681 39.315 1.00 0.00 C ATOM 885 C ALA A 59 27.232 42.677 39.682 1.00 0.00 C ATOM 886 O ALA A 59 26.755 41.756 40.329 1.00 0.00 O ATOM 887 CB ALA A 59 28.954 42.743 37.798 1.00 0.00 C ATOM 0 H ALA A 59 29.261 40.665 39.346 1.00 0.00 H new ATOM 0 HA ALA A 59 29.121 43.588 39.768 1.00 0.00 H new ATOM 0 HB1 ALA A 59 28.424 43.600 37.383 1.00 0.00 H new ATOM 0 HB2 ALA A 59 30.021 42.844 37.598 1.00 0.00 H new ATOM 0 HB3 ALA A 59 28.583 41.829 37.335 1.00 0.00 H new ATOM 893 N SER A 60 26.484 43.704 39.255 1.00 0.00 N ATOM 894 CA SER A 60 25.018 43.818 39.461 1.00 0.00 C ATOM 895 C SER A 60 24.547 43.663 40.914 1.00 0.00 C ATOM 896 O SER A 60 24.124 42.609 41.385 1.00 0.00 O ATOM 897 CB SER A 60 24.286 42.855 38.523 1.00 0.00 C ATOM 898 OG SER A 60 22.902 43.097 38.607 1.00 0.00 O ATOM 0 H SER A 60 26.879 44.496 38.748 1.00 0.00 H new ATOM 0 HA SER A 60 24.760 44.847 39.212 1.00 0.00 H new ATOM 0 HB2 SER A 60 24.631 42.993 37.498 1.00 0.00 H new ATOM 0 HB3 SER A 60 24.505 41.823 38.797 1.00 0.00 H new ATOM 0 HG SER A 60 22.426 42.485 38.008 1.00 0.00 H new ATOM 904 N ARG A 61 24.573 44.778 41.664 1.00 0.00 N ATOM 905 CA ARG A 61 24.141 44.842 43.073 1.00 0.00 C ATOM 906 C ARG A 61 22.921 45.737 43.229 1.00 0.00 C ATOM 907 O ARG A 61 22.877 46.785 42.608 1.00 0.00 O ATOM 908 CB ARG A 61 25.298 45.258 44.001 1.00 0.00 C ATOM 909 CG ARG A 61 25.697 46.751 43.982 1.00 0.00 C ATOM 910 CD ARG A 61 26.114 47.297 42.620 1.00 0.00 C ATOM 911 NE ARG A 61 27.184 46.482 41.989 1.00 0.00 N ATOM 912 CZ ARG A 61 27.728 46.703 40.807 1.00 0.00 C ATOM 913 NH1 ARG A 61 27.289 47.625 40.009 1.00 0.00 N ATOM 914 NH2 ARG A 61 28.723 45.962 40.403 1.00 0.00 N ATOM 0 H ARG A 61 24.900 45.675 41.304 1.00 0.00 H new ATOM 0 HA ARG A 61 23.843 43.840 43.381 1.00 0.00 H new ATOM 0 HB2 ARG A 61 25.029 44.990 45.023 1.00 0.00 H new ATOM 0 HB3 ARG A 61 26.175 44.667 43.738 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.856 47.340 44.349 1.00 0.00 H new ATOM 0 HG3 ARG A 61 26.519 46.899 44.682 1.00 0.00 H new ATOM 0 HD2 ARG A 61 25.246 47.326 41.961 1.00 0.00 H new ATOM 0 HD3 ARG A 61 26.462 48.324 42.734 1.00 0.00 H new ATOM 0 HE ARG A 61 27.529 45.680 42.516 1.00 0.00 H new ATOM 0 HH11 ARG A 61 26.499 48.207 40.288 1.00 0.00 H new ATOM 0 HH12 ARG A 61 27.733 47.769 39.102 1.00 0.00 H new ATOM 0 HH21 ARG A 61 29.078 45.215 41.000 1.00 0.00 H new ATOM 0 HH22 ARG A 61 29.146 46.130 39.490 1.00 0.00 H new ATOM 928 N LYS A 62 21.994 45.327 44.087 1.00 0.00 N ATOM 929 CA LYS A 62 20.771 46.075 44.415 1.00 0.00 C ATOM 930 C LYS A 62 20.775 46.633 45.856 1.00 0.00 C ATOM 931 O LYS A 62 19.831 47.275 46.272 1.00 0.00 O ATOM 932 CB LYS A 62 19.523 45.211 44.144 1.00 0.00 C ATOM 933 CG LYS A 62 19.218 44.950 42.652 1.00 0.00 C ATOM 934 CD LYS A 62 20.112 43.961 41.890 1.00 0.00 C ATOM 935 CE LYS A 62 20.080 42.542 42.477 1.00 0.00 C ATOM 936 NZ LYS A 62 20.963 41.604 41.734 1.00 0.00 N ATOM 0 H LYS A 62 22.068 44.443 44.591 1.00 0.00 H new ATOM 0 HA LYS A 62 20.741 46.945 43.759 1.00 0.00 H new ATOM 0 HB2 LYS A 62 19.648 44.252 44.646 1.00 0.00 H new ATOM 0 HB3 LYS A 62 18.658 45.697 44.596 1.00 0.00 H new ATOM 0 HG2 LYS A 62 18.190 44.593 42.580 1.00 0.00 H new ATOM 0 HG3 LYS A 62 19.261 45.907 42.131 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.795 43.923 40.848 1.00 0.00 H new ATOM 0 HD3 LYS A 62 21.138 44.328 41.898 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.388 42.576 43.522 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.057 42.166 42.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 21.001 40.693 42.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.586 41.457 40.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.921 42.005 41.671 1.00 0.00 H new ATOM 950 N GLY A 63 21.851 46.375 46.615 1.00 0.00 N ATOM 951 CA GLY A 63 21.967 46.773 48.020 1.00 0.00 C ATOM 952 C GLY A 63 22.947 45.863 48.760 1.00 0.00 C ATOM 953 O GLY A 63 24.152 45.948 48.545 1.00 0.00 O ATOM 0 H GLY A 63 22.671 45.880 46.264 1.00 0.00 H new ATOM 0 HA2 GLY A 63 22.305 47.807 48.083 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.989 46.727 48.498 1.00 0.00 H new ATOM 957 N GLY A 64 22.405 44.986 49.605 1.00 0.00 N ATOM 958 CA GLY A 64 23.173 44.077 50.460 1.00 0.00 C ATOM 959 C GLY A 64 23.873 44.844 51.591 1.00 0.00 C ATOM 960 O GLY A 64 25.074 45.120 51.462 1.00 0.00 O ATOM 0 H GLY A 64 21.396 44.885 49.718 1.00 0.00 H new ATOM 0 HA2 GLY A 64 22.509 43.323 50.884 1.00 0.00 H new ATOM 0 HA3 GLY A 64 23.915 43.548 49.861 1.00 0.00 H new ATOM 964 N PRO A 65 23.136 45.239 52.648 1.00 0.00 N ATOM 965 CA PRO A 65 23.706 45.906 53.818 1.00 0.00 C ATOM 966 C PRO A 65 24.828 45.076 54.449 1.00 0.00 C ATOM 967 O PRO A 65 24.715 43.856 54.530 1.00 0.00 O ATOM 968 CB PRO A 65 22.542 46.127 54.798 1.00 0.00 C ATOM 969 CG PRO A 65 21.302 46.051 53.902 1.00 0.00 C ATOM 970 CD PRO A 65 21.713 45.023 52.850 1.00 0.00 C ATOM 0 HA PRO A 65 24.166 46.855 53.541 1.00 0.00 H new ATOM 0 HB2 PRO A 65 22.522 45.364 55.576 1.00 0.00 H new ATOM 0 HB3 PRO A 65 22.617 47.092 55.299 1.00 0.00 H new ATOM 0 HG2 PRO A 65 20.420 45.732 54.457 1.00 0.00 H new ATOM 0 HG3 PRO A 65 21.065 47.016 53.455 1.00 0.00 H new ATOM 0 HD2 PRO A 65 21.513 44.007 53.191 1.00 0.00 H new ATOM 0 HD3 PRO A 65 21.157 45.163 51.923 1.00 0.00 H new ATOM 978 N ARG A 66 25.936 45.730 54.781 1.00 0.00 N ATOM 979 CA ARG A 66 27.137 45.130 55.410 1.00 0.00 C ATOM 980 C ARG A 66 28.169 46.147 55.913 1.00 0.00 C ATOM 981 O ARG A 66 29.274 45.771 56.265 1.00 0.00 O ATOM 982 CB ARG A 66 27.836 44.165 54.423 1.00 0.00 C ATOM 983 CG ARG A 66 28.458 44.867 53.213 1.00 0.00 C ATOM 984 CD ARG A 66 29.294 43.916 52.350 1.00 0.00 C ATOM 985 NE ARG A 66 28.456 42.897 51.690 1.00 0.00 N ATOM 986 CZ ARG A 66 28.900 41.915 50.928 1.00 0.00 C ATOM 987 NH1 ARG A 66 30.168 41.788 50.629 1.00 0.00 N ATOM 988 NH2 ARG A 66 28.077 41.030 50.437 1.00 0.00 N ATOM 0 H ARG A 66 26.040 46.732 54.619 1.00 0.00 H new ATOM 0 HA ARG A 66 26.762 44.600 56.286 1.00 0.00 H new ATOM 0 HB2 ARG A 66 28.615 43.617 54.954 1.00 0.00 H new ATOM 0 HB3 ARG A 66 27.111 43.430 54.073 1.00 0.00 H new ATOM 0 HG2 ARG A 66 27.667 45.304 52.604 1.00 0.00 H new ATOM 0 HG3 ARG A 66 29.087 45.688 53.557 1.00 0.00 H new ATOM 0 HD2 ARG A 66 29.832 44.489 51.595 1.00 0.00 H new ATOM 0 HD3 ARG A 66 30.043 43.424 52.971 1.00 0.00 H new ATOM 0 HE ARG A 66 27.448 42.956 51.835 1.00 0.00 H new ATOM 0 HH11 ARG A 66 30.846 42.460 50.988 1.00 0.00 H new ATOM 0 HH12 ARG A 66 30.478 41.017 50.037 1.00 0.00 H new ATOM 0 HH21 ARG A 66 27.080 41.093 50.641 1.00 0.00 H new ATOM 0 HH22 ARG A 66 28.431 40.275 49.849 1.00 0.00 H new ATOM 1002 N ARG A 67 27.884 47.441 55.712 1.00 0.00 N ATOM 1003 CA ARG A 67 28.778 48.555 56.071 1.00 0.00 C ATOM 1004 C ARG A 67 28.493 49.030 57.496 1.00 0.00 C ATOM 1005 O ARG A 67 29.476 49.300 58.163 1.00 0.00 O ATOM 1006 CB ARG A 67 28.731 49.756 55.097 1.00 0.00 C ATOM 1007 CG ARG A 67 29.214 49.492 53.672 1.00 0.00 C ATOM 1008 CD ARG A 67 28.198 48.709 52.844 1.00 0.00 C ATOM 1009 NE ARG A 67 28.610 48.584 51.435 1.00 0.00 N ATOM 1010 CZ ARG A 67 27.955 47.912 50.513 1.00 0.00 C ATOM 1011 NH1 ARG A 67 26.864 47.249 50.761 1.00 0.00 N ATOM 1012 NH2 ARG A 67 28.393 47.901 49.282 1.00 0.00 N ATOM 0 H ARG A 67 27.010 47.750 55.287 1.00 0.00 H new ATOM 0 HA ARG A 67 29.787 48.150 55.999 1.00 0.00 H new ATOM 0 HB2 ARG A 67 27.704 50.117 55.048 1.00 0.00 H new ATOM 0 HB3 ARG A 67 29.332 50.562 55.518 1.00 0.00 H new ATOM 0 HG2 ARG A 67 29.422 50.443 53.181 1.00 0.00 H new ATOM 0 HG3 ARG A 67 30.153 48.939 53.707 1.00 0.00 H new ATOM 0 HD2 ARG A 67 28.070 47.715 53.273 1.00 0.00 H new ATOM 0 HD3 ARG A 67 27.229 49.206 52.895 1.00 0.00 H new ATOM 0 HE ARG A 67 29.470 49.055 51.153 1.00 0.00 H new ATOM 0 HH11 ARG A 67 26.480 47.235 51.706 1.00 0.00 H new ATOM 0 HH12 ARG A 67 26.393 46.743 50.011 1.00 0.00 H new ATOM 0 HH21 ARG A 67 29.241 48.413 49.038 1.00 0.00 H new ATOM 0 HH22 ARG A 67 27.887 47.381 48.565 1.00 0.00 H new ATOM 1026 N PRO A 68 27.213 49.179 57.895 1.00 0.00 N ATOM 1027 CA PRO A 68 26.850 49.394 59.294 1.00 0.00 C ATOM 1028 C PRO A 68 27.052 48.090 60.073 1.00 0.00 C ATOM 1029 O PRO A 68 26.286 47.148 59.774 1.00 0.00 O ATOM 1030 CB PRO A 68 25.386 49.884 59.302 1.00 0.00 C ATOM 1031 CG PRO A 68 25.007 50.033 57.830 1.00 0.00 C ATOM 1032 CD PRO A 68 25.970 49.086 57.139 1.00 0.00 C ATOM 1033 OXT PRO A 68 28.005 48.041 60.866 1.00 0.00 O ATOM 0 HA PRO A 68 27.474 50.142 59.782 1.00 0.00 H new ATOM 0 HB2 PRO A 68 24.734 49.170 59.806 1.00 0.00 H new ATOM 0 HB3 PRO A 68 25.291 50.832 59.831 1.00 0.00 H new ATOM 0 HG2 PRO A 68 23.968 49.757 57.650 1.00 0.00 H new ATOM 0 HG3 PRO A 68 25.129 51.059 57.483 1.00 0.00 H new ATOM 0 HD2 PRO A 68 25.586 48.066 57.139 1.00 0.00 H new ATOM 0 HD3 PRO A 68 26.121 49.370 56.098 1.00 0.00 H new TER 1041 PRO A 68