USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.113 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0501) USER MOD Single : A 6 SER OG : rot -124:sc= -2.25! USER MOD Single : A 9 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.131) USER MOD Single : A 10 LYS NZ :NH3+ 170:sc= -0.0183 (180deg=-0.116) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -64:sc= 0.524 USER MOD Single : A 50 HIS : no HD1:sc= -6.38! K(o=-6.4!,f=-2) USER MOD Single : A 52 HIS : no HD1:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 56 LYS NZ :NH3+ -154:sc= -0.224 (180deg=-0.849) USER MOD Single : A 59 HIS : no HE2:sc= 0.0158 X(o=0.016,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.336 -1.672 -6.369 1.00 0.00 N ATOM 2 CA ALA A 1 -1.360 -0.274 -5.870 1.00 0.00 C ATOM 3 C ALA A 1 -1.150 -0.243 -4.363 1.00 0.00 C ATOM 4 O ALA A 1 -1.211 -1.281 -3.704 1.00 0.00 O ATOM 5 CB ALA A 1 -2.680 0.398 -6.231 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.526 -1.798 -7.008 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.248 -2.326 -5.565 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.217 -1.872 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.548 0.275 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.681 1.422 -5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.800 0.406 -7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.505 -0.154 -5.779 1.00 0.00 H new ATOM 13 N MET A 2 -0.918 0.949 -3.817 1.00 0.00 N ATOM 14 CA MET A 2 -0.722 1.106 -2.379 1.00 0.00 C ATOM 15 C MET A 2 -2.062 1.086 -1.666 1.00 0.00 C ATOM 16 O MET A 2 -2.561 2.124 -1.223 1.00 0.00 O ATOM 17 CB MET A 2 -0.006 2.420 -2.066 1.00 0.00 C ATOM 18 CG MET A 2 1.419 2.490 -2.584 1.00 0.00 C ATOM 19 SD MET A 2 2.209 4.065 -2.198 1.00 0.00 S ATOM 20 CE MET A 2 3.877 3.777 -2.788 1.00 0.00 C ATOM 0 H MET A 2 -0.861 1.818 -4.348 1.00 0.00 H new ATOM 0 HA MET A 2 -0.106 0.277 -2.030 1.00 0.00 H new ATOM 0 HB2 MET A 2 -0.577 3.243 -2.495 1.00 0.00 H new ATOM 0 HB3 MET A 2 0.004 2.567 -0.986 1.00 0.00 H new ATOM 0 HG2 MET A 2 2.002 1.677 -2.150 1.00 0.00 H new ATOM 0 HG3 MET A 2 1.419 2.341 -3.664 1.00 0.00 H new ATOM 0 HE1 MET A 2 4.483 4.667 -2.616 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.312 2.933 -2.253 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.852 3.556 -3.855 1.00 0.00 H new ATOM 30 N GLY A 3 -2.662 -0.086 -1.577 1.00 0.00 N ATOM 31 CA GLY A 3 -3.952 -0.177 -0.944 1.00 0.00 C ATOM 32 C GLY A 3 -5.042 0.233 -1.881 1.00 0.00 C ATOM 33 O GLY A 3 -4.845 0.308 -3.093 1.00 0.00 O ATOM 0 H GLY A 3 -2.283 -0.966 -1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.124 -1.199 -0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.972 0.458 -0.058 1.00 0.00 H new ATOM 37 N LYS A 4 -6.184 0.538 -1.313 1.00 0.00 N ATOM 38 CA LYS A 4 -7.323 0.993 -2.072 1.00 0.00 C ATOM 39 C LYS A 4 -7.156 2.487 -2.310 1.00 0.00 C ATOM 40 O LYS A 4 -8.100 3.213 -2.620 1.00 0.00 O ATOM 41 CB LYS A 4 -8.570 0.729 -1.255 1.00 0.00 C ATOM 42 CG LYS A 4 -9.856 0.710 -2.077 1.00 0.00 C ATOM 43 CD LYS A 4 -10.350 -0.706 -2.330 1.00 0.00 C ATOM 44 CE LYS A 4 -11.130 -0.814 -3.636 1.00 0.00 C ATOM 45 NZ LYS A 4 -10.243 -0.737 -4.836 1.00 0.00 N ATOM 0 H LYS A 4 -6.350 0.477 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.403 0.476 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.462 -0.228 -0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.655 1.494 -0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.628 1.275 -1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.684 1.210 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.499 -1.387 -2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.984 -1.022 -1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.678 -1.756 -3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.869 -0.014 -3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.779 -1.015 -5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.897 0.237 -4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.434 -1.379 -4.712 1.00 0.00 H new ATOM 59 N CYS A 5 -5.933 2.922 -2.098 1.00 0.00 N ATOM 60 CA CYS A 5 -5.556 4.302 -2.202 1.00 0.00 C ATOM 61 C CYS A 5 -4.625 4.541 -3.387 1.00 0.00 C ATOM 62 O CYS A 5 -3.421 4.318 -3.283 1.00 0.00 O ATOM 63 CB CYS A 5 -4.833 4.663 -0.912 1.00 0.00 C ATOM 64 SG CYS A 5 -5.738 4.216 0.609 1.00 0.00 S ATOM 0 H CYS A 5 -5.161 2.307 -1.843 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.444 4.915 -2.357 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.863 4.166 -0.902 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.642 5.736 -0.905 1.00 0.00 H new ATOM 69 N SER A 6 -5.170 5.021 -4.498 1.00 0.00 N ATOM 70 CA SER A 6 -4.362 5.318 -5.669 1.00 0.00 C ATOM 71 C SER A 6 -3.692 6.677 -5.491 1.00 0.00 C ATOM 72 O SER A 6 -3.696 7.229 -4.392 1.00 0.00 O ATOM 73 CB SER A 6 -5.221 5.287 -6.935 1.00 0.00 C ATOM 74 OG SER A 6 -6.359 6.121 -6.800 1.00 0.00 O ATOM 0 H SER A 6 -6.166 5.212 -4.610 1.00 0.00 H new ATOM 0 HA SER A 6 -3.588 4.558 -5.777 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.627 5.612 -7.789 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.538 4.264 -7.138 1.00 0.00 H new ATOM 0 HG SER A 6 -7.170 5.596 -6.963 1.00 0.00 H new ATOM 80 N VAL A 7 -3.122 7.209 -6.562 1.00 0.00 N ATOM 81 CA VAL A 7 -2.449 8.503 -6.517 1.00 0.00 C ATOM 82 C VAL A 7 -3.344 9.587 -5.932 1.00 0.00 C ATOM 83 O VAL A 7 -3.013 10.211 -4.924 1.00 0.00 O ATOM 84 CB VAL A 7 -1.977 8.912 -7.929 1.00 0.00 C ATOM 85 CG1 VAL A 7 -3.074 8.704 -8.968 1.00 0.00 C ATOM 86 CG2 VAL A 7 -1.458 10.345 -7.952 1.00 0.00 C ATOM 0 H VAL A 7 -3.111 6.763 -7.479 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.583 8.398 -5.863 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.146 8.258 -8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.706 9.002 -9.950 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.358 7.652 -8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.942 9.309 -8.706 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.134 10.599 -8.961 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.253 11.025 -7.644 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.615 10.438 -7.267 1.00 0.00 H new ATOM 96 N LEU A 8 -4.468 9.809 -6.578 1.00 0.00 N ATOM 97 CA LEU A 8 -5.411 10.826 -6.138 1.00 0.00 C ATOM 98 C LEU A 8 -6.165 10.388 -4.884 1.00 0.00 C ATOM 99 O LEU A 8 -6.629 11.229 -4.117 1.00 0.00 O ATOM 100 CB LEU A 8 -6.361 11.263 -7.285 1.00 0.00 C ATOM 101 CG LEU A 8 -7.402 10.258 -7.839 1.00 0.00 C ATOM 102 CD1 LEU A 8 -6.773 8.945 -8.257 1.00 0.00 C ATOM 103 CD2 LEU A 8 -8.533 10.013 -6.859 1.00 0.00 C ATOM 0 H LEU A 8 -4.756 9.299 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.836 11.710 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.907 12.141 -6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.738 11.582 -8.121 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.820 10.724 -8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.545 8.277 -8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.034 9.128 -9.037 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.286 8.485 -7.397 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.239 9.302 -7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.129 9.607 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.045 10.953 -6.652 1.00 0.00 H new ATOM 115 N LYS A 9 -6.265 9.080 -4.646 1.00 0.00 N ATOM 116 CA LYS A 9 -6.939 8.597 -3.458 1.00 0.00 C ATOM 117 C LYS A 9 -6.034 8.745 -2.240 1.00 0.00 C ATOM 118 O LYS A 9 -6.499 8.696 -1.103 1.00 0.00 O ATOM 119 CB LYS A 9 -7.375 7.148 -3.621 1.00 0.00 C ATOM 120 CG LYS A 9 -8.419 6.937 -4.709 1.00 0.00 C ATOM 121 CD LYS A 9 -9.234 5.671 -4.462 1.00 0.00 C ATOM 122 CE LYS A 9 -10.048 5.260 -5.687 1.00 0.00 C ATOM 123 NZ LYS A 9 -10.805 6.397 -6.277 1.00 0.00 N ATOM 0 H LYS A 9 -5.892 8.352 -5.255 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.834 9.201 -3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.500 6.539 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.775 6.790 -2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.086 7.799 -4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.927 6.871 -5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.563 4.858 -4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.906 5.832 -3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.379 4.843 -6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.745 4.470 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.455 6.040 -7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.350 6.876 -5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.140 7.071 -6.707 1.00 0.00 H new ATOM 137 N LYS A 10 -4.743 8.966 -2.485 1.00 0.00 N ATOM 138 CA LYS A 10 -3.787 9.168 -1.404 1.00 0.00 C ATOM 139 C LYS A 10 -3.954 10.568 -0.833 1.00 0.00 C ATOM 140 O LYS A 10 -3.459 10.884 0.244 1.00 0.00 O ATOM 141 CB LYS A 10 -2.349 8.950 -1.874 1.00 0.00 C ATOM 142 CG LYS A 10 -1.835 7.539 -1.620 1.00 0.00 C ATOM 143 CD LYS A 10 -0.369 7.405 -1.998 1.00 0.00 C ATOM 144 CE LYS A 10 0.511 8.358 -1.202 1.00 0.00 C ATOM 145 NZ LYS A 10 0.426 8.106 0.265 1.00 0.00 N ATOM 0 H LYS A 10 -4.339 9.009 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.989 8.431 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.287 9.164 -2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.698 9.662 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.965 7.287 -0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.427 6.826 -2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.042 6.380 -1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.249 7.604 -3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.546 8.253 -1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.213 9.386 -1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.160 8.656 0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.511 8.393 0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.569 7.093 0.452 1.00 0.00 H new ATOM 159 N VAL A 11 -4.697 11.384 -1.556 1.00 0.00 N ATOM 160 CA VAL A 11 -4.990 12.730 -1.126 1.00 0.00 C ATOM 161 C VAL A 11 -6.292 12.698 -0.339 1.00 0.00 C ATOM 162 O VAL A 11 -6.564 13.551 0.510 1.00 0.00 O ATOM 163 CB VAL A 11 -5.100 13.674 -2.350 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.534 14.067 -2.672 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.243 14.907 -2.151 1.00 0.00 C ATOM 0 H VAL A 11 -5.111 11.130 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.188 13.112 -0.494 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.730 13.114 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.544 14.728 -3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.116 13.172 -2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.971 14.583 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.334 15.557 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.576 15.442 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.202 14.610 -2.027 1.00 0.00 H new ATOM 175 N ALA A 12 -7.093 11.685 -0.652 1.00 0.00 N ATOM 176 CA ALA A 12 -8.388 11.486 -0.018 1.00 0.00 C ATOM 177 C ALA A 12 -8.286 10.689 1.280 1.00 0.00 C ATOM 178 O ALA A 12 -9.076 10.907 2.191 1.00 0.00 O ATOM 179 CB ALA A 12 -9.353 10.799 -0.976 1.00 0.00 C ATOM 0 H ALA A 12 -6.862 10.980 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.770 12.475 0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.316 10.659 -0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.486 11.417 -1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.949 9.829 -1.266 1.00 0.00 H new ATOM 185 N CYS A 13 -7.326 9.764 1.376 1.00 0.00 N ATOM 186 CA CYS A 13 -7.179 8.961 2.598 1.00 0.00 C ATOM 187 C CYS A 13 -6.837 9.834 3.774 1.00 0.00 C ATOM 188 O CYS A 13 -7.285 9.584 4.882 1.00 0.00 O ATOM 189 CB CYS A 13 -6.098 7.887 2.477 1.00 0.00 C ATOM 190 SG CYS A 13 -4.604 8.435 1.588 1.00 0.00 S ATOM 0 H CYS A 13 -6.651 9.554 0.640 1.00 0.00 H new ATOM 0 HA CYS A 13 -8.142 8.472 2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.813 7.558 3.477 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.516 7.021 1.964 1.00 0.00 H new ATOM 195 N ALA A 14 -6.041 10.858 3.523 1.00 0.00 N ATOM 196 CA ALA A 14 -5.634 11.767 4.571 1.00 0.00 C ATOM 197 C ALA A 14 -6.842 12.438 5.191 1.00 0.00 C ATOM 198 O ALA A 14 -6.850 12.719 6.378 1.00 0.00 O ATOM 199 CB ALA A 14 -4.666 12.801 4.023 1.00 0.00 C ATOM 0 H ALA A 14 -5.665 11.078 2.601 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.126 11.197 5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.367 13.479 4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.784 12.299 3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.151 13.368 3.228 1.00 0.00 H new ATOM 205 N ALA A 15 -7.864 12.666 4.378 1.00 0.00 N ATOM 206 CA ALA A 15 -9.092 13.277 4.844 1.00 0.00 C ATOM 207 C ALA A 15 -10.025 12.213 5.405 1.00 0.00 C ATOM 208 O ALA A 15 -10.679 12.414 6.428 1.00 0.00 O ATOM 209 CB ALA A 15 -9.760 14.024 3.705 1.00 0.00 C ATOM 0 H ALA A 15 -7.862 12.433 3.385 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.860 13.986 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.683 14.481 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.089 14.800 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.988 13.328 2.898 1.00 0.00 H new ATOM 215 N ALA A 16 -10.068 11.076 4.715 1.00 0.00 N ATOM 216 CA ALA A 16 -10.903 9.948 5.108 1.00 0.00 C ATOM 217 C ALA A 16 -10.541 9.445 6.492 1.00 0.00 C ATOM 218 O ALA A 16 -11.403 9.336 7.365 1.00 0.00 O ATOM 219 CB ALA A 16 -10.788 8.818 4.093 1.00 0.00 C ATOM 0 H ALA A 16 -9.524 10.912 3.868 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.935 10.297 5.135 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.418 7.985 4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.112 9.173 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.751 8.486 4.034 1.00 0.00 H new ATOM 225 N ILE A 17 -9.266 9.133 6.705 1.00 0.00 N ATOM 226 CA ILE A 17 -8.854 8.642 7.993 1.00 0.00 C ATOM 227 C ILE A 17 -8.809 9.766 9.031 1.00 0.00 C ATOM 228 O ILE A 17 -9.043 9.527 10.214 1.00 0.00 O ATOM 229 CB ILE A 17 -7.529 7.827 7.930 1.00 0.00 C ATOM 230 CG1 ILE A 17 -7.242 7.242 9.278 1.00 0.00 C ATOM 231 CG2 ILE A 17 -6.307 8.614 7.506 1.00 0.00 C ATOM 232 CD1 ILE A 17 -6.474 8.187 10.174 1.00 0.00 C ATOM 0 H ILE A 17 -8.522 9.213 6.011 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.615 7.935 8.323 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.700 7.071 7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.182 6.974 9.761 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.672 6.321 9.156 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.437 7.957 7.494 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.466 9.024 6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.136 9.428 8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.295 7.710 11.137 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.520 8.435 9.709 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.053 9.098 10.323 1.00 0.00 H new ATOM 244 N ALA A 18 -8.539 10.989 8.587 1.00 0.00 N ATOM 245 CA ALA A 18 -8.502 12.148 9.495 1.00 0.00 C ATOM 246 C ALA A 18 -9.776 12.212 10.339 1.00 0.00 C ATOM 247 O ALA A 18 -9.730 12.536 11.525 1.00 0.00 O ATOM 248 CB ALA A 18 -8.327 13.452 8.727 1.00 0.00 C ATOM 0 H ALA A 18 -8.343 11.211 7.611 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.642 12.020 10.153 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.304 14.287 9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.392 13.422 8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.160 13.582 8.036 1.00 0.00 H new ATOM 254 N GLY A 19 -10.911 11.879 9.726 1.00 0.00 N ATOM 255 CA GLY A 19 -12.175 11.883 10.444 1.00 0.00 C ATOM 256 C GLY A 19 -12.244 10.774 11.477 1.00 0.00 C ATOM 257 O GLY A 19 -12.968 10.880 12.467 1.00 0.00 O ATOM 0 H GLY A 19 -10.977 11.607 8.745 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.310 12.846 10.936 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.995 11.770 9.735 1.00 0.00 H new ATOM 261 N ALA A 20 -11.481 9.711 11.248 1.00 0.00 N ATOM 262 CA ALA A 20 -11.443 8.581 12.158 1.00 0.00 C ATOM 263 C ALA A 20 -10.563 8.868 13.362 1.00 0.00 C ATOM 264 O ALA A 20 -10.908 8.505 14.483 1.00 0.00 O ATOM 265 CB ALA A 20 -10.960 7.342 11.438 1.00 0.00 C ATOM 0 H ALA A 20 -10.877 9.612 10.432 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.457 8.409 12.519 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.937 6.503 12.133 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.637 7.113 10.615 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.958 7.516 11.046 1.00 0.00 H new ATOM 271 N VAL A 21 -9.431 9.530 13.150 1.00 0.00 N ATOM 272 CA VAL A 21 -8.563 9.860 14.275 1.00 0.00 C ATOM 273 C VAL A 21 -9.271 10.883 15.127 1.00 0.00 C ATOM 274 O VAL A 21 -9.215 10.842 16.343 1.00 0.00 O ATOM 275 CB VAL A 21 -7.187 10.406 13.871 1.00 0.00 C ATOM 276 CG1 VAL A 21 -6.475 9.453 12.947 1.00 0.00 C ATOM 277 CG2 VAL A 21 -7.279 11.777 13.248 1.00 0.00 C ATOM 0 H VAL A 21 -9.099 9.841 12.237 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.370 8.932 14.814 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.605 10.502 14.787 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.503 9.866 12.677 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.336 8.495 13.449 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.070 9.307 12.046 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.281 12.122 12.979 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.900 11.729 12.354 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.723 12.472 13.961 1.00 0.00 H new ATOM 287 N ALA A 22 -9.964 11.774 14.441 1.00 0.00 N ATOM 288 CA ALA A 22 -10.752 12.818 15.076 1.00 0.00 C ATOM 289 C ALA A 22 -11.783 12.187 16.000 1.00 0.00 C ATOM 290 O ALA A 22 -12.208 12.796 16.984 1.00 0.00 O ATOM 291 CB ALA A 22 -11.440 13.678 14.025 1.00 0.00 C ATOM 0 H ALA A 22 -9.997 11.795 13.422 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.091 13.457 15.661 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.026 14.455 14.517 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.689 14.141 13.385 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.099 13.055 13.420 1.00 0.00 H new ATOM 297 N ALA A 23 -12.159 10.947 15.687 1.00 0.00 N ATOM 298 CA ALA A 23 -13.107 10.214 16.498 1.00 0.00 C ATOM 299 C ALA A 23 -12.453 9.797 17.812 1.00 0.00 C ATOM 300 O ALA A 23 -13.108 9.750 18.851 1.00 0.00 O ATOM 301 CB ALA A 23 -13.637 9.000 15.745 1.00 0.00 C ATOM 0 H ALA A 23 -11.816 10.436 14.874 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.954 10.863 16.721 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -14.348 8.464 16.374 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.134 9.327 14.832 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.808 8.340 15.490 1.00 0.00 H new ATOM 307 N CYS A 24 -11.150 9.505 17.769 1.00 0.00 N ATOM 308 CA CYS A 24 -10.436 9.107 18.974 1.00 0.00 C ATOM 309 C CYS A 24 -9.640 10.272 19.571 1.00 0.00 C ATOM 310 O CYS A 24 -9.942 10.725 20.674 1.00 0.00 O ATOM 311 CB CYS A 24 -9.510 7.929 18.694 1.00 0.00 C ATOM 312 SG CYS A 24 -9.287 6.824 20.122 1.00 0.00 S ATOM 0 H CYS A 24 -10.580 9.537 16.924 1.00 0.00 H new ATOM 0 HA CYS A 24 -11.184 8.800 19.705 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -9.910 7.354 17.859 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.537 8.308 18.383 1.00 0.00 H new ATOM 317 N GLY A 25 -8.628 10.768 18.851 1.00 0.00 N ATOM 318 CA GLY A 25 -7.845 11.875 19.369 1.00 0.00 C ATOM 319 C GLY A 25 -6.695 12.298 18.468 1.00 0.00 C ATOM 320 O GLY A 25 -6.408 13.489 18.354 1.00 0.00 O ATOM 0 H GLY A 25 -8.343 10.426 17.933 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.503 12.730 19.525 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.445 11.598 20.344 1.00 0.00 H new ATOM 324 N GLY A 26 -6.018 11.341 17.837 1.00 0.00 N ATOM 325 CA GLY A 26 -4.898 11.688 16.976 1.00 0.00 C ATOM 326 C GLY A 26 -4.048 10.493 16.586 1.00 0.00 C ATOM 327 O GLY A 26 -3.172 10.069 17.345 1.00 0.00 O ATOM 0 H GLY A 26 -6.221 10.344 17.904 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.277 12.165 16.073 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.271 12.421 17.484 1.00 0.00 H new ATOM 331 N ILE A 27 -4.313 9.968 15.393 1.00 0.00 N ATOM 332 CA ILE A 27 -3.601 8.815 14.830 1.00 0.00 C ATOM 333 C ILE A 27 -3.431 7.660 15.837 1.00 0.00 C ATOM 334 O ILE A 27 -2.384 7.018 15.956 1.00 0.00 O ATOM 335 CB ILE A 27 -2.272 9.245 14.140 1.00 0.00 C ATOM 336 CG1 ILE A 27 -2.612 10.088 12.920 1.00 0.00 C ATOM 337 CG2 ILE A 27 -1.452 8.055 13.658 1.00 0.00 C ATOM 338 CD1 ILE A 27 -3.244 9.255 11.817 1.00 0.00 C ATOM 0 H ILE A 27 -5.039 10.334 14.777 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.233 8.402 14.044 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.685 9.794 14.877 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.295 10.887 13.209 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.707 10.564 12.543 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.537 8.411 13.185 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.198 7.420 14.507 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.033 7.481 12.937 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.472 9.894 10.964 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.551 8.472 11.509 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.164 8.801 12.186 1.00 0.00 H new ATOM 350 N ASP A 28 -4.523 7.337 16.503 1.00 0.00 N ATOM 351 CA ASP A 28 -4.554 6.205 17.391 1.00 0.00 C ATOM 352 C ASP A 28 -4.913 5.070 16.459 1.00 0.00 C ATOM 353 O ASP A 28 -6.089 4.799 16.261 1.00 0.00 O ATOM 354 CB ASP A 28 -5.635 6.376 18.464 1.00 0.00 C ATOM 355 CG ASP A 28 -5.928 7.824 18.803 1.00 0.00 C ATOM 356 OD1 ASP A 28 -6.519 8.528 17.956 1.00 0.00 O ATOM 357 OD2 ASP A 28 -5.575 8.257 19.918 1.00 0.00 O ATOM 0 H ASP A 28 -5.402 7.850 16.441 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.620 6.055 17.932 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.553 5.898 18.122 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.323 5.855 19.369 1.00 0.00 H new ATOM 362 N LEU A 29 -3.912 4.503 15.785 1.00 0.00 N ATOM 363 CA LEU A 29 -4.140 3.511 14.755 1.00 0.00 C ATOM 364 C LEU A 29 -5.183 2.427 15.088 1.00 0.00 C ATOM 365 O LEU A 29 -6.025 2.143 14.240 1.00 0.00 O ATOM 366 CB LEU A 29 -2.818 2.931 14.211 1.00 0.00 C ATOM 367 CG LEU A 29 -1.861 2.244 15.199 1.00 0.00 C ATOM 368 CD1 LEU A 29 -0.790 1.479 14.436 1.00 0.00 C ATOM 369 CD2 LEU A 29 -1.192 3.250 16.127 1.00 0.00 C ATOM 0 H LEU A 29 -2.928 4.722 15.943 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.615 4.066 13.946 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.067 2.209 13.433 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.272 3.743 13.730 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.452 1.558 15.806 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.116 0.995 15.142 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.261 0.723 13.808 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.225 2.170 13.811 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.523 2.726 16.810 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.620 3.965 15.536 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.954 3.779 16.699 1.00 0.00 H new ATOM 381 N PRO A 30 -5.201 1.815 16.293 1.00 0.00 N ATOM 382 CA PRO A 30 -6.216 0.798 16.610 1.00 0.00 C ATOM 383 C PRO A 30 -7.586 1.419 16.891 1.00 0.00 C ATOM 384 O PRO A 30 -8.587 0.717 17.031 1.00 0.00 O ATOM 385 CB PRO A 30 -5.664 0.137 17.871 1.00 0.00 C ATOM 386 CG PRO A 30 -4.868 1.205 18.537 1.00 0.00 C ATOM 387 CD PRO A 30 -4.287 2.049 17.434 1.00 0.00 C ATOM 0 HA PRO A 30 -6.378 0.106 15.783 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.467 -0.219 18.516 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.044 -0.726 17.627 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.496 1.805 19.196 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.079 0.775 19.154 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.254 3.103 17.711 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.266 1.750 17.197 1.00 0.00 H new ATOM 395 N CYS A 31 -7.609 2.740 16.990 1.00 0.00 N ATOM 396 CA CYS A 31 -8.822 3.481 17.278 1.00 0.00 C ATOM 397 C CYS A 31 -9.432 4.075 16.009 1.00 0.00 C ATOM 398 O CYS A 31 -10.634 3.951 15.781 1.00 0.00 O ATOM 399 CB CYS A 31 -8.504 4.590 18.272 1.00 0.00 C ATOM 400 SG CYS A 31 -9.866 5.024 19.395 1.00 0.00 S ATOM 0 H CYS A 31 -6.783 3.327 16.872 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.554 2.795 17.704 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.643 4.288 18.868 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.211 5.482 17.718 1.00 0.00 H new ATOM 405 N VAL A 32 -8.608 4.717 15.175 1.00 0.00 N ATOM 406 CA VAL A 32 -9.114 5.308 13.930 1.00 0.00 C ATOM 407 C VAL A 32 -9.574 4.196 13.005 1.00 0.00 C ATOM 408 O VAL A 32 -10.512 4.368 12.248 1.00 0.00 O ATOM 409 CB VAL A 32 -8.066 6.206 13.197 1.00 0.00 C ATOM 410 CG1 VAL A 32 -6.940 6.572 14.131 1.00 0.00 C ATOM 411 CG2 VAL A 32 -7.557 5.579 11.912 1.00 0.00 C ATOM 0 H VAL A 32 -7.608 4.840 15.333 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.944 5.961 14.199 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.573 7.124 12.899 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.219 7.197 13.604 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.339 7.119 14.985 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.447 5.665 14.479 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.832 6.245 11.444 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.081 4.625 12.137 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.392 5.416 11.231 1.00 0.00 H new ATOM 421 N LEU A 33 -8.908 3.044 13.084 1.00 0.00 N ATOM 422 CA LEU A 33 -9.253 1.908 12.251 1.00 0.00 C ATOM 423 C LEU A 33 -10.604 1.321 12.654 1.00 0.00 C ATOM 424 O LEU A 33 -11.126 0.449 11.980 1.00 0.00 O ATOM 425 CB LEU A 33 -8.168 0.842 12.343 1.00 0.00 C ATOM 426 CG LEU A 33 -8.058 -0.067 11.125 1.00 0.00 C ATOM 427 CD1 LEU A 33 -6.891 0.354 10.234 1.00 0.00 C ATOM 428 CD2 LEU A 33 -7.917 -1.503 11.571 1.00 0.00 C ATOM 0 H LEU A 33 -8.127 2.880 13.719 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.328 2.253 11.220 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.208 1.334 12.499 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.357 0.226 13.222 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.968 0.024 10.532 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.834 -0.310 9.372 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.044 1.378 9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.961 0.295 10.800 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.839 -2.149 10.697 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.020 -1.608 12.182 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.790 -1.789 12.157 1.00 0.00 H new ATOM 440 N ALA A 34 -11.179 1.820 13.743 1.00 0.00 N ATOM 441 CA ALA A 34 -12.483 1.347 14.188 1.00 0.00 C ATOM 442 C ALA A 34 -13.581 2.121 13.471 1.00 0.00 C ATOM 443 O ALA A 34 -14.707 1.648 13.331 1.00 0.00 O ATOM 444 CB ALA A 34 -12.630 1.485 15.697 1.00 0.00 C ATOM 0 H ALA A 34 -10.766 2.546 14.329 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.572 0.289 13.942 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.613 1.125 16.001 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.858 0.897 16.193 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.525 2.533 15.979 1.00 0.00 H new ATOM 450 N ALA A 35 -13.230 3.316 13.007 1.00 0.00 N ATOM 451 CA ALA A 35 -14.162 4.174 12.286 1.00 0.00 C ATOM 452 C ALA A 35 -13.775 4.244 10.817 1.00 0.00 C ATOM 453 O ALA A 35 -14.630 4.214 9.932 1.00 0.00 O ATOM 454 CB ALA A 35 -14.171 5.566 12.888 1.00 0.00 C ATOM 0 H ALA A 35 -12.298 3.714 13.119 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.163 3.751 12.370 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.872 6.195 12.339 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.477 5.509 13.933 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.171 5.996 12.825 1.00 0.00 H new ATOM 460 N LEU A 36 -12.472 4.328 10.571 1.00 0.00 N ATOM 461 CA LEU A 36 -11.934 4.391 9.224 1.00 0.00 C ATOM 462 C LEU A 36 -12.132 3.082 8.498 1.00 0.00 C ATOM 463 O LEU A 36 -12.090 3.030 7.274 1.00 0.00 O ATOM 464 CB LEU A 36 -10.432 4.676 9.237 1.00 0.00 C ATOM 465 CG LEU A 36 -9.765 4.412 7.890 1.00 0.00 C ATOM 466 CD1 LEU A 36 -10.119 5.500 6.925 1.00 0.00 C ATOM 467 CD2 LEU A 36 -8.272 4.275 7.987 1.00 0.00 C ATOM 0 H LEU A 36 -11.762 4.354 11.303 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.468 5.195 8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.267 5.715 9.521 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.957 4.058 9.999 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.144 3.455 7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.640 5.306 5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.200 5.530 6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.775 6.458 7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.859 4.089 6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.848 5.195 8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.025 3.442 8.646 1.00 0.00 H new ATOM 479 N LYS A 37 -12.302 2.010 9.244 1.00 0.00 N ATOM 480 CA LYS A 37 -12.445 0.707 8.620 1.00 0.00 C ATOM 481 C LYS A 37 -13.668 0.667 7.697 1.00 0.00 C ATOM 482 O LYS A 37 -13.784 -0.217 6.851 1.00 0.00 O ATOM 483 CB LYS A 37 -12.529 -0.401 9.671 1.00 0.00 C ATOM 484 CG LYS A 37 -11.840 -1.697 9.268 1.00 0.00 C ATOM 485 CD LYS A 37 -12.777 -2.632 8.519 1.00 0.00 C ATOM 486 CE LYS A 37 -12.111 -3.959 8.191 1.00 0.00 C ATOM 487 NZ LYS A 37 -13.087 -4.933 7.636 1.00 0.00 N ATOM 0 H LYS A 37 -12.344 2.011 10.263 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.556 0.534 8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.086 -0.040 10.599 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.578 -0.610 9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.978 -1.469 8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.463 -2.199 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.668 -2.812 9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.107 -2.153 7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.308 -3.797 7.472 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.655 -4.371 9.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.602 -5.828 7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.840 -5.105 8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.503 -4.549 6.764 1.00 0.00 H new ATOM 501 N ALA A 38 -14.555 1.655 7.841 1.00 0.00 N ATOM 502 CA ALA A 38 -15.737 1.759 6.992 1.00 0.00 C ATOM 503 C ALA A 38 -15.314 2.104 5.568 1.00 0.00 C ATOM 504 O ALA A 38 -16.102 1.999 4.627 1.00 0.00 O ATOM 505 CB ALA A 38 -16.701 2.813 7.523 1.00 0.00 C ATOM 0 H ALA A 38 -14.474 2.394 8.540 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.253 0.799 6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.573 2.870 6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.018 2.542 8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.203 3.782 7.548 1.00 0.00 H new ATOM 511 N ALA A 39 -14.049 2.498 5.431 1.00 0.00 N ATOM 512 CA ALA A 39 -13.466 2.839 4.144 1.00 0.00 C ATOM 513 C ALA A 39 -13.380 1.588 3.284 1.00 0.00 C ATOM 514 O ALA A 39 -13.309 0.477 3.816 1.00 0.00 O ATOM 515 CB ALA A 39 -12.070 3.444 4.339 1.00 0.00 C ATOM 0 H ALA A 39 -13.402 2.588 6.214 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.095 3.577 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.643 3.695 3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.146 4.346 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.427 2.721 4.841 1.00 0.00 H new ATOM 521 N GLU A 40 -13.361 1.760 1.964 1.00 0.00 N ATOM 522 CA GLU A 40 -13.256 0.621 1.053 1.00 0.00 C ATOM 523 C GLU A 40 -11.953 -0.120 1.313 1.00 0.00 C ATOM 524 O GLU A 40 -11.802 -1.296 0.982 1.00 0.00 O ATOM 525 CB GLU A 40 -13.319 1.071 -0.411 1.00 0.00 C ATOM 526 CG GLU A 40 -14.616 1.766 -0.789 1.00 0.00 C ATOM 527 CD GLU A 40 -14.610 3.246 -0.487 1.00 0.00 C ATOM 528 OE1 GLU A 40 -13.561 3.767 -0.062 1.00 0.00 O ATOM 529 OE2 GLU A 40 -15.658 3.891 -0.681 1.00 0.00 O ATOM 0 H GLU A 40 -13.416 2.669 1.504 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.100 -0.044 1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.486 1.746 -0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.184 0.201 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.802 1.620 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -15.441 1.296 -0.254 1.00 0.00 H new ATOM 536 N GLY A 41 -11.025 0.593 1.924 1.00 0.00 N ATOM 537 CA GLY A 41 -9.741 0.034 2.255 1.00 0.00 C ATOM 538 C GLY A 41 -8.640 1.045 2.082 1.00 0.00 C ATOM 539 O GLY A 41 -7.574 0.728 1.554 1.00 0.00 O ATOM 0 H GLY A 41 -11.145 1.568 2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.752 -0.321 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.545 -0.831 1.622 1.00 0.00 H new ATOM 543 N CYS A 42 -8.865 2.273 2.542 1.00 0.00 N ATOM 544 CA CYS A 42 -7.838 3.277 2.415 1.00 0.00 C ATOM 545 C CYS A 42 -7.071 3.359 3.704 1.00 0.00 C ATOM 546 O CYS A 42 -6.235 4.242 3.902 1.00 0.00 O ATOM 547 CB CYS A 42 -8.383 4.636 1.992 1.00 0.00 C ATOM 548 SG CYS A 42 -7.416 5.365 0.623 1.00 0.00 S ATOM 0 H CYS A 42 -9.727 2.582 2.992 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.166 2.977 1.611 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.423 4.530 1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.370 5.313 2.846 1.00 0.00 H new ATOM 553 N ALA A 43 -7.322 2.375 4.555 1.00 0.00 N ATOM 554 CA ALA A 43 -6.619 2.253 5.802 1.00 0.00 C ATOM 555 C ALA A 43 -5.160 2.024 5.470 1.00 0.00 C ATOM 556 O ALA A 43 -4.263 2.495 6.163 1.00 0.00 O ATOM 557 CB ALA A 43 -7.178 1.096 6.601 1.00 0.00 C ATOM 0 H ALA A 43 -8.017 1.647 4.392 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.733 3.152 6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.639 1.011 7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.235 1.269 6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.063 0.173 6.033 1.00 0.00 H new ATOM 563 N SER A 44 -4.957 1.310 4.361 1.00 0.00 N ATOM 564 CA SER A 44 -3.641 1.002 3.833 1.00 0.00 C ATOM 565 C SER A 44 -2.825 2.284 3.620 1.00 0.00 C ATOM 566 O SER A 44 -1.605 2.252 3.587 1.00 0.00 O ATOM 567 CB SER A 44 -3.807 0.215 2.527 1.00 0.00 C ATOM 568 OG SER A 44 -4.507 -0.996 2.760 1.00 0.00 O ATOM 0 H SER A 44 -5.719 0.927 3.801 1.00 0.00 H new ATOM 0 HA SER A 44 -3.089 0.392 4.548 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.347 0.819 1.798 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.828 -0.001 2.099 1.00 0.00 H new ATOM 0 HG SER A 44 -3.979 -1.570 3.354 1.00 0.00 H new ATOM 574 N CYS A 45 -3.518 3.418 3.534 1.00 0.00 N ATOM 575 CA CYS A 45 -2.870 4.724 3.396 1.00 0.00 C ATOM 576 C CYS A 45 -2.527 5.226 4.785 1.00 0.00 C ATOM 577 O CYS A 45 -1.415 5.674 5.061 1.00 0.00 O ATOM 578 CB CYS A 45 -3.820 5.732 2.744 1.00 0.00 C ATOM 579 SG CYS A 45 -3.068 7.338 2.346 1.00 0.00 S ATOM 0 H CYS A 45 -4.537 3.460 3.558 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.980 4.620 2.775 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.218 5.296 1.828 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.666 5.898 3.411 1.00 0.00 H new ATOM 584 N PHE A 46 -3.536 5.121 5.640 1.00 0.00 N ATOM 585 CA PHE A 46 -3.474 5.525 7.034 1.00 0.00 C ATOM 586 C PHE A 46 -2.279 4.928 7.770 1.00 0.00 C ATOM 587 O PHE A 46 -1.400 5.651 8.227 1.00 0.00 O ATOM 588 CB PHE A 46 -4.789 5.095 7.717 1.00 0.00 C ATOM 589 CG PHE A 46 -4.713 4.879 9.204 1.00 0.00 C ATOM 590 CD1 PHE A 46 -4.520 5.927 10.081 1.00 0.00 C ATOM 591 CD2 PHE A 46 -4.833 3.603 9.727 1.00 0.00 C ATOM 592 CE1 PHE A 46 -4.457 5.724 11.412 1.00 0.00 C ATOM 593 CE2 PHE A 46 -4.774 3.390 11.074 1.00 0.00 C ATOM 594 CZ PHE A 46 -4.583 4.449 11.922 1.00 0.00 C ATOM 0 H PHE A 46 -4.444 4.742 5.373 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.347 6.607 7.073 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.545 5.854 7.517 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.133 4.171 7.252 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.417 6.930 9.693 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.975 2.765 9.061 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.308 6.560 12.079 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.877 2.390 11.470 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.531 4.285 12.988 1.00 0.00 H new ATOM 604 N CYS A 47 -2.290 3.618 7.950 1.00 0.00 N ATOM 605 CA CYS A 47 -1.244 2.963 8.723 1.00 0.00 C ATOM 606 C CYS A 47 -0.049 2.452 7.910 1.00 0.00 C ATOM 607 O CYS A 47 0.777 1.737 8.458 1.00 0.00 O ATOM 608 CB CYS A 47 -1.862 1.817 9.512 1.00 0.00 C ATOM 609 SG CYS A 47 -0.813 1.164 10.839 1.00 0.00 S ATOM 0 H CYS A 47 -3.003 2.991 7.577 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.829 3.730 9.377 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.803 2.157 9.944 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.101 1.007 8.824 1.00 0.00 H new ATOM 614 N GLU A 48 0.088 2.816 6.638 1.00 0.00 N ATOM 615 CA GLU A 48 1.251 2.349 5.867 1.00 0.00 C ATOM 616 C GLU A 48 2.534 2.919 6.467 1.00 0.00 C ATOM 617 O GLU A 48 3.566 2.248 6.541 1.00 0.00 O ATOM 618 CB GLU A 48 1.146 2.742 4.389 1.00 0.00 C ATOM 619 CG GLU A 48 2.320 2.269 3.537 1.00 0.00 C ATOM 620 CD GLU A 48 2.543 0.772 3.615 1.00 0.00 C ATOM 621 OE1 GLU A 48 1.602 0.014 3.320 1.00 0.00 O ATOM 622 OE2 GLU A 48 3.668 0.352 3.955 1.00 0.00 O ATOM 0 H GLU A 48 -0.563 3.412 6.127 1.00 0.00 H new ATOM 0 HA GLU A 48 1.272 1.261 5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.224 2.331 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.071 3.827 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.145 2.551 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.226 2.783 3.859 1.00 0.00 H new ATOM 629 N ASP A 49 2.453 4.163 6.907 1.00 0.00 N ATOM 630 CA ASP A 49 3.591 4.838 7.512 1.00 0.00 C ATOM 631 C ASP A 49 3.765 4.392 8.966 1.00 0.00 C ATOM 632 O ASP A 49 4.809 4.606 9.579 1.00 0.00 O ATOM 633 CB ASP A 49 3.375 6.353 7.446 1.00 0.00 C ATOM 634 CG ASP A 49 4.651 7.141 7.626 1.00 0.00 C ATOM 635 OD1 ASP A 49 5.731 6.527 7.679 1.00 0.00 O ATOM 636 OD2 ASP A 49 4.572 8.382 7.684 1.00 0.00 O ATOM 0 H ASP A 49 1.606 4.730 6.857 1.00 0.00 H new ATOM 0 HA ASP A 49 4.496 4.577 6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.929 6.609 6.485 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.662 6.646 8.216 1.00 0.00 H new ATOM 641 N HIS A 50 2.723 3.776 9.517 1.00 0.00 N ATOM 642 CA HIS A 50 2.745 3.312 10.905 1.00 0.00 C ATOM 643 C HIS A 50 2.614 1.803 10.954 1.00 0.00 C ATOM 644 O HIS A 50 2.001 1.265 11.875 1.00 0.00 O ATOM 645 CB HIS A 50 1.584 3.897 11.737 1.00 0.00 C ATOM 646 CG HIS A 50 0.944 5.149 11.207 1.00 0.00 C ATOM 647 ND1 HIS A 50 -0.346 5.512 11.530 1.00 0.00 N ATOM 648 CD2 HIS A 50 1.411 6.124 10.394 1.00 0.00 C ATOM 649 CE1 HIS A 50 -0.643 6.650 10.935 1.00 0.00 C ATOM 650 NE2 HIS A 50 0.405 7.046 10.239 1.00 0.00 N ATOM 0 H HIS A 50 1.850 3.585 9.024 1.00 0.00 H new ATOM 0 HA HIS A 50 3.694 3.645 11.324 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.812 3.133 11.831 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.954 4.102 12.742 1.00 0.00 H new ATOM 0 HD2 HIS A 50 2.394 6.169 9.949 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.586 7.171 11.006 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.459 7.896 9.678 1.00 0.00 H new ATOM 659 N CYS A 51 3.153 1.127 9.956 1.00 0.00 N ATOM 660 CA CYS A 51 3.055 -0.329 9.879 1.00 0.00 C ATOM 661 C CYS A 51 3.886 -1.034 10.950 1.00 0.00 C ATOM 662 O CYS A 51 4.908 -1.658 10.667 1.00 0.00 O ATOM 663 CB CYS A 51 3.422 -0.821 8.481 1.00 0.00 C ATOM 664 SG CYS A 51 2.079 -0.640 7.276 1.00 0.00 S ATOM 0 H CYS A 51 3.664 1.558 9.185 1.00 0.00 H new ATOM 0 HA CYS A 51 2.015 -0.589 10.077 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.294 -0.270 8.128 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.710 -1.871 8.538 1.00 0.00 H new ATOM 669 N HIS A 52 3.407 -0.931 12.185 1.00 0.00 N ATOM 670 CA HIS A 52 4.040 -1.541 13.343 1.00 0.00 C ATOM 671 C HIS A 52 3.048 -1.544 14.499 1.00 0.00 C ATOM 672 O HIS A 52 1.969 -0.954 14.390 1.00 0.00 O ATOM 673 CB HIS A 52 5.310 -0.769 13.743 1.00 0.00 C ATOM 674 CG HIS A 52 5.050 0.569 14.382 1.00 0.00 C ATOM 675 ND1 HIS A 52 4.269 1.551 13.806 1.00 0.00 N ATOM 676 CD2 HIS A 52 5.484 1.082 15.558 1.00 0.00 C ATOM 677 CE1 HIS A 52 4.236 2.608 14.600 1.00 0.00 C ATOM 678 NE2 HIS A 52 4.964 2.349 15.670 1.00 0.00 N ATOM 0 H HIS A 52 2.557 -0.414 12.410 1.00 0.00 H new ATOM 0 HA HIS A 52 4.330 -2.562 13.096 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.890 -1.381 14.434 1.00 0.00 H new ATOM 0 HB3 HIS A 52 5.925 -0.621 12.855 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.121 0.587 16.275 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.704 3.527 14.406 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.116 2.985 16.452 1.00 0.00 H new ATOM 687 N GLY A 53 3.413 -2.184 15.600 1.00 0.00 N ATOM 688 CA GLY A 53 2.542 -2.218 16.760 1.00 0.00 C ATOM 689 C GLY A 53 1.231 -2.937 16.514 1.00 0.00 C ATOM 690 O GLY A 53 1.200 -4.162 16.422 1.00 0.00 O ATOM 0 H GLY A 53 4.297 -2.681 15.712 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.065 -2.706 17.583 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.332 -1.196 17.077 1.00 0.00 H new ATOM 694 N VAL A 54 0.140 -2.179 16.421 1.00 0.00 N ATOM 695 CA VAL A 54 -1.160 -2.757 16.214 1.00 0.00 C ATOM 696 C VAL A 54 -1.523 -2.797 14.734 1.00 0.00 C ATOM 697 O VAL A 54 -2.557 -3.319 14.376 1.00 0.00 O ATOM 698 CB VAL A 54 -2.225 -1.955 16.985 1.00 0.00 C ATOM 699 CG1 VAL A 54 -2.666 -0.766 16.162 1.00 0.00 C ATOM 700 CG2 VAL A 54 -3.410 -2.828 17.364 1.00 0.00 C ATOM 0 H VAL A 54 0.145 -1.161 16.488 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.131 -3.781 16.587 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.782 -1.595 17.913 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.419 -0.202 16.712 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.808 -0.125 15.961 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.089 -1.113 15.219 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.143 -2.231 17.907 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.868 -3.232 16.461 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.070 -3.648 17.996 1.00 0.00 H new ATOM 710 N CYS A 55 -0.671 -2.255 13.872 1.00 0.00 N ATOM 711 CA CYS A 55 -0.932 -2.260 12.426 1.00 0.00 C ATOM 712 C CYS A 55 -1.024 -3.698 11.920 1.00 0.00 C ATOM 713 O CYS A 55 -1.602 -3.960 10.866 1.00 0.00 O ATOM 714 CB CYS A 55 0.190 -1.530 11.702 1.00 0.00 C ATOM 715 SG CYS A 55 -0.334 -0.692 10.182 1.00 0.00 S ATOM 0 H CYS A 55 0.205 -1.807 14.141 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.877 -1.753 12.230 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.626 -0.795 12.378 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.976 -2.245 11.458 1.00 0.00 H new ATOM 720 N LYS A 56 -0.487 -4.635 12.700 1.00 0.00 N ATOM 721 CA LYS A 56 -0.557 -6.045 12.342 1.00 0.00 C ATOM 722 C LYS A 56 -1.921 -6.578 12.765 1.00 0.00 C ATOM 723 O LYS A 56 -2.519 -7.413 12.082 1.00 0.00 O ATOM 724 CB LYS A 56 0.587 -6.836 12.985 1.00 0.00 C ATOM 725 CG LYS A 56 0.649 -8.290 12.545 1.00 0.00 C ATOM 726 CD LYS A 56 2.069 -8.830 12.585 1.00 0.00 C ATOM 727 CE LYS A 56 2.768 -8.690 11.240 1.00 0.00 C ATOM 728 NZ LYS A 56 2.039 -9.417 10.165 1.00 0.00 N ATOM 0 H LYS A 56 -0.003 -4.443 13.577 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.443 -6.162 11.264 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.533 -6.352 12.742 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.479 -6.798 14.069 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.012 -8.893 13.192 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.253 -8.381 11.533 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.638 -8.298 13.347 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.050 -9.880 12.877 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.846 -7.635 10.978 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.785 -9.076 11.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.705 -9.682 9.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.603 -10.275 10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.298 -8.802 9.771 1.00 0.00 H new ATOM 742 N ASP A 57 -2.435 -6.020 13.864 1.00 0.00 N ATOM 743 CA ASP A 57 -3.766 -6.356 14.358 1.00 0.00 C ATOM 744 C ASP A 57 -4.764 -5.697 13.428 1.00 0.00 C ATOM 745 O ASP A 57 -5.776 -6.277 13.038 1.00 0.00 O ATOM 746 CB ASP A 57 -3.973 -5.809 15.768 1.00 0.00 C ATOM 747 CG ASP A 57 -4.930 -6.650 16.580 1.00 0.00 C ATOM 748 OD1 ASP A 57 -5.494 -7.618 16.030 1.00 0.00 O ATOM 749 OD2 ASP A 57 -5.123 -6.342 17.770 1.00 0.00 O ATOM 0 H ASP A 57 -1.943 -5.329 14.430 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.891 -7.438 14.388 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.012 -5.761 16.280 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.353 -4.789 15.707 1.00 0.00 H new ATOM 754 N LEU A 58 -4.397 -4.474 13.050 1.00 0.00 N ATOM 755 CA LEU A 58 -5.128 -3.650 12.134 1.00 0.00 C ATOM 756 C LEU A 58 -5.368 -4.472 10.866 1.00 0.00 C ATOM 757 O LEU A 58 -6.501 -4.586 10.392 1.00 0.00 O ATOM 758 CB LEU A 58 -4.248 -2.417 11.869 1.00 0.00 C ATOM 759 CG LEU A 58 -4.720 -1.046 12.393 1.00 0.00 C ATOM 760 CD1 LEU A 58 -4.844 -1.034 13.896 1.00 0.00 C ATOM 761 CD2 LEU A 58 -3.747 0.030 11.964 1.00 0.00 C ATOM 0 H LEU A 58 -3.548 -4.028 13.396 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.097 -3.325 12.513 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.265 -2.614 12.297 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.115 -2.331 10.791 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.705 -0.853 11.969 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.179 -0.050 14.226 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.568 -1.787 14.207 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.875 -1.256 14.343 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.086 0.997 12.337 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.759 -0.190 12.370 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.694 0.060 10.876 1.00 0.00 H new ATOM 773 N HIS A 59 -4.273 -5.064 10.350 1.00 0.00 N ATOM 774 CA HIS A 59 -4.305 -5.920 9.160 1.00 0.00 C ATOM 775 C HIS A 59 -4.678 -5.080 7.976 1.00 0.00 C ATOM 776 O HIS A 59 -5.826 -5.074 7.520 1.00 0.00 O ATOM 777 CB HIS A 59 -5.284 -7.083 9.330 1.00 0.00 C ATOM 778 CG HIS A 59 -4.735 -8.389 8.853 1.00 0.00 C ATOM 779 ND1 HIS A 59 -3.605 -8.967 9.392 1.00 0.00 N ATOM 780 CD2 HIS A 59 -5.155 -9.227 7.876 1.00 0.00 C ATOM 781 CE1 HIS A 59 -3.353 -10.103 8.766 1.00 0.00 C ATOM 782 NE2 HIS A 59 -4.278 -10.284 7.842 1.00 0.00 N ATOM 0 H HIS A 59 -3.342 -4.958 10.752 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.318 -6.357 9.009 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.553 -7.172 10.382 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.201 -6.860 8.784 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -3.050 -8.578 10.155 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.018 -9.090 7.242 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.530 -10.770 8.975 1.00 0.00 H new ATOM 791 N LEU A 60 -3.720 -4.307 7.535 1.00 0.00 N ATOM 792 CA LEU A 60 -3.956 -3.381 6.470 1.00 0.00 C ATOM 793 C LEU A 60 -2.694 -3.216 5.598 1.00 0.00 C ATOM 794 O LEU A 60 -2.733 -2.598 4.530 1.00 0.00 O ATOM 795 CB LEU A 60 -4.497 -2.120 7.200 1.00 0.00 C ATOM 796 CG LEU A 60 -3.889 -0.742 6.968 1.00 0.00 C ATOM 797 CD1 LEU A 60 -4.441 0.210 8.005 1.00 0.00 C ATOM 798 CD2 LEU A 60 -2.404 -0.747 7.105 1.00 0.00 C ATOM 0 H LEU A 60 -2.768 -4.304 7.901 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.686 -3.693 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.557 -2.043 6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.429 -2.320 8.269 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.142 -0.438 5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.015 1.202 7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.526 0.263 7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.181 -0.147 9.002 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.019 0.258 6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.132 -1.070 8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.974 -1.432 6.375 1.00 0.00 H new ATOM 810 N CYS A 61 -1.587 -3.822 6.049 1.00 0.00 N ATOM 811 CA CYS A 61 -0.318 -3.804 5.316 1.00 0.00 C ATOM 812 C CYS A 61 0.496 -5.045 5.669 1.00 0.00 C ATOM 813 O CYS A 61 0.095 -5.767 6.606 1.00 0.00 O ATOM 814 CB CYS A 61 0.523 -2.553 5.613 1.00 0.00 C ATOM 815 SG CYS A 61 1.117 -2.420 7.323 1.00 0.00 S ATOM 816 OXT CYS A 61 1.530 -5.289 5.015 1.00 0.00 O ATOM 0 H CYS A 61 -1.548 -4.336 6.929 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.565 -3.791 4.254 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.383 -2.544 4.943 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.072 -1.670 5.381 1.00 0.00 H new TER 821 CYS A 61