USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0505) USER MOD Single : A 10 LYS NZ :NH3+ -158:sc= 0.889 (180deg=0.611) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -98:sc= 1.22 USER MOD Single : A 50 HIS :FLIP no HE2:sc= -5.98! C(o=-7.2!,f=-6!) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.339 F(o=-1.1,f=-0.34) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.980 2.135 -6.733 1.00 0.00 N ATOM 2 CA ALA A 1 0.895 2.526 -5.800 1.00 0.00 C ATOM 3 C ALA A 1 -0.251 1.527 -5.851 1.00 0.00 C ATOM 4 O ALA A 1 -1.371 1.878 -6.235 1.00 0.00 O ATOM 5 CB ALA A 1 0.378 3.923 -6.121 1.00 0.00 C ATOM 0 H1 ALA A 1 2.751 2.831 -6.681 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.343 1.197 -6.470 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.608 2.102 -7.704 1.00 0.00 H new ATOM 0 HA ALA A 1 1.312 2.530 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.417 4.186 -5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.192 4.642 -6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.012 3.942 -7.139 1.00 0.00 H new ATOM 13 N MET A 2 0.021 0.288 -5.454 1.00 0.00 N ATOM 14 CA MET A 2 -1.000 -0.745 -5.443 1.00 0.00 C ATOM 15 C MET A 2 -1.842 -0.596 -4.182 1.00 0.00 C ATOM 16 O MET A 2 -1.553 -1.200 -3.146 1.00 0.00 O ATOM 17 CB MET A 2 -0.368 -2.142 -5.510 1.00 0.00 C ATOM 18 CG MET A 2 -1.385 -3.269 -5.619 1.00 0.00 C ATOM 19 SD MET A 2 -0.614 -4.891 -5.776 1.00 0.00 S ATOM 20 CE MET A 2 -2.062 -5.946 -5.802 1.00 0.00 C ATOM 0 H MET A 2 0.940 -0.022 -5.137 1.00 0.00 H new ATOM 0 HA MET A 2 -1.636 -0.631 -6.321 1.00 0.00 H new ATOM 0 HB2 MET A 2 0.304 -2.186 -6.367 1.00 0.00 H new ATOM 0 HB3 MET A 2 0.241 -2.299 -4.620 1.00 0.00 H new ATOM 0 HG2 MET A 2 -2.026 -3.260 -4.738 1.00 0.00 H new ATOM 0 HG3 MET A 2 -2.027 -3.091 -6.482 1.00 0.00 H new ATOM 0 HE1 MET A 2 -1.752 -6.987 -5.896 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.623 -5.816 -4.877 1.00 0.00 H new ATOM 0 HE3 MET A 2 -2.693 -5.678 -6.650 1.00 0.00 H new ATOM 30 N GLY A 3 -2.857 0.244 -4.265 1.00 0.00 N ATOM 31 CA GLY A 3 -3.699 0.496 -3.122 1.00 0.00 C ATOM 32 C GLY A 3 -5.063 0.994 -3.500 1.00 0.00 C ATOM 33 O GLY A 3 -5.267 1.498 -4.608 1.00 0.00 O ATOM 0 H GLY A 3 -3.113 0.758 -5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.800 -0.422 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.216 1.229 -2.476 1.00 0.00 H new ATOM 37 N LYS A 4 -5.986 0.908 -2.548 1.00 0.00 N ATOM 38 CA LYS A 4 -7.337 1.415 -2.736 1.00 0.00 C ATOM 39 C LYS A 4 -7.221 2.919 -2.849 1.00 0.00 C ATOM 40 O LYS A 4 -8.065 3.618 -3.411 1.00 0.00 O ATOM 41 CB LYS A 4 -8.200 1.072 -1.518 1.00 0.00 C ATOM 42 CG LYS A 4 -9.683 1.389 -1.690 1.00 0.00 C ATOM 43 CD LYS A 4 -10.204 1.044 -3.079 1.00 0.00 C ATOM 44 CE LYS A 4 -11.633 1.540 -3.254 1.00 0.00 C ATOM 45 NZ LYS A 4 -12.060 1.567 -4.678 1.00 0.00 N ATOM 0 H LYS A 4 -5.820 0.489 -1.633 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.797 0.976 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.091 0.010 -1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.822 1.618 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.256 0.838 -0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.848 2.449 -1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.562 1.494 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.167 -0.035 -3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.308 0.898 -2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.720 2.542 -2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.039 1.912 -4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.435 2.201 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.005 0.607 -5.075 1.00 0.00 H new ATOM 59 N CYS A 5 -6.132 3.375 -2.274 1.00 0.00 N ATOM 60 CA CYS A 5 -5.772 4.760 -2.219 1.00 0.00 C ATOM 61 C CYS A 5 -4.659 5.052 -3.229 1.00 0.00 C ATOM 62 O CYS A 5 -3.481 5.033 -2.872 1.00 0.00 O ATOM 63 CB CYS A 5 -5.264 5.023 -0.814 1.00 0.00 C ATOM 64 SG CYS A 5 -6.253 4.226 0.511 1.00 0.00 S ATOM 0 H CYS A 5 -5.454 2.765 -1.818 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.625 5.395 -2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -4.234 4.674 -0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.249 6.099 -0.642 1.00 0.00 H new ATOM 69 N SER A 6 -5.028 5.310 -4.485 1.00 0.00 N ATOM 70 CA SER A 6 -4.048 5.603 -5.538 1.00 0.00 C ATOM 71 C SER A 6 -3.294 6.896 -5.237 1.00 0.00 C ATOM 72 O SER A 6 -3.482 7.488 -4.192 1.00 0.00 O ATOM 73 CB SER A 6 -4.747 5.708 -6.893 1.00 0.00 C ATOM 74 OG SER A 6 -5.475 4.526 -7.181 1.00 0.00 O ATOM 0 H SER A 6 -5.998 5.323 -4.800 1.00 0.00 H new ATOM 0 HA SER A 6 -3.328 4.786 -5.570 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.422 6.564 -6.893 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.008 5.884 -7.675 1.00 0.00 H new ATOM 0 HG SER A 6 -5.915 4.617 -8.052 1.00 0.00 H new ATOM 80 N VAL A 7 -2.437 7.328 -6.153 1.00 0.00 N ATOM 81 CA VAL A 7 -1.661 8.552 -5.955 1.00 0.00 C ATOM 82 C VAL A 7 -2.558 9.738 -5.610 1.00 0.00 C ATOM 83 O VAL A 7 -2.438 10.339 -4.545 1.00 0.00 O ATOM 84 CB VAL A 7 -0.804 8.869 -7.204 1.00 0.00 C ATOM 85 CG1 VAL A 7 -1.617 8.773 -8.487 1.00 0.00 C ATOM 86 CG2 VAL A 7 -0.129 10.229 -7.082 1.00 0.00 C ATOM 0 H VAL A 7 -2.260 6.853 -7.038 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.995 8.381 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.022 8.111 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.979 9.003 -9.340 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.013 7.763 -8.592 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.442 9.484 -8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.465 10.422 -7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.888 11.004 -6.977 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.520 10.236 -6.206 1.00 0.00 H new ATOM 96 N LEU A 8 -3.456 10.059 -6.516 1.00 0.00 N ATOM 97 CA LEU A 8 -4.384 11.170 -6.314 1.00 0.00 C ATOM 98 C LEU A 8 -5.410 10.834 -5.233 1.00 0.00 C ATOM 99 O LEU A 8 -5.984 11.726 -4.611 1.00 0.00 O ATOM 100 CB LEU A 8 -5.097 11.537 -7.625 1.00 0.00 C ATOM 101 CG LEU A 8 -6.088 10.498 -8.181 1.00 0.00 C ATOM 102 CD1 LEU A 8 -7.005 11.147 -9.203 1.00 0.00 C ATOM 103 CD2 LEU A 8 -5.363 9.328 -8.831 1.00 0.00 C ATOM 0 H LEU A 8 -3.570 9.570 -7.404 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.803 12.031 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.634 12.473 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.339 11.726 -8.385 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.673 10.120 -7.343 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.702 10.404 -9.590 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.562 11.956 -8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.410 11.548 -10.023 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.093 8.614 -9.212 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.748 9.693 -9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.728 8.838 -8.093 1.00 0.00 H new ATOM 115 N LYS A 9 -5.634 9.546 -5.003 1.00 0.00 N ATOM 116 CA LYS A 9 -6.581 9.100 -3.995 1.00 0.00 C ATOM 117 C LYS A 9 -5.936 9.039 -2.613 1.00 0.00 C ATOM 118 O LYS A 9 -6.627 8.916 -1.602 1.00 0.00 O ATOM 119 CB LYS A 9 -7.134 7.732 -4.371 1.00 0.00 C ATOM 120 CG LYS A 9 -8.189 7.765 -5.472 1.00 0.00 C ATOM 121 CD LYS A 9 -8.591 6.356 -5.900 1.00 0.00 C ATOM 122 CE LYS A 9 -9.785 6.354 -6.854 1.00 0.00 C ATOM 123 NZ LYS A 9 -11.055 6.763 -6.186 1.00 0.00 N ATOM 0 H LYS A 9 -5.169 8.790 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.395 9.823 -3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.310 7.095 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.566 7.271 -3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.068 8.305 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.803 8.312 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.743 5.870 -6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.835 5.767 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.582 7.030 -7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.906 5.356 -7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.853 6.615 -6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.197 6.191 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.002 7.769 -5.926 1.00 0.00 H new ATOM 137 N LYS A 10 -4.609 9.124 -2.567 1.00 0.00 N ATOM 138 CA LYS A 10 -3.890 9.076 -1.303 1.00 0.00 C ATOM 139 C LYS A 10 -3.908 10.454 -0.659 1.00 0.00 C ATOM 140 O LYS A 10 -3.483 10.647 0.479 1.00 0.00 O ATOM 141 CB LYS A 10 -2.460 8.550 -1.488 1.00 0.00 C ATOM 142 CG LYS A 10 -1.394 9.618 -1.685 1.00 0.00 C ATOM 143 CD LYS A 10 -0.002 9.013 -1.628 1.00 0.00 C ATOM 144 CE LYS A 10 0.226 8.273 -0.313 1.00 0.00 C ATOM 145 NZ LYS A 10 1.570 7.641 -0.239 1.00 0.00 N ATOM 0 H LYS A 10 -4.014 9.226 -3.389 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.391 8.374 -0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.195 7.952 -0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.445 7.882 -2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.541 10.111 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.494 10.383 -0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.133 8.326 -2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.744 9.800 -1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.110 8.970 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.539 7.506 -0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.553 6.870 0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.826 7.259 -1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.273 8.352 0.048 1.00 0.00 H new ATOM 159 N VAL A 11 -4.453 11.400 -1.399 1.00 0.00 N ATOM 160 CA VAL A 11 -4.596 12.754 -0.927 1.00 0.00 C ATOM 161 C VAL A 11 -5.888 12.848 -0.125 1.00 0.00 C ATOM 162 O VAL A 11 -6.050 13.701 0.750 1.00 0.00 O ATOM 163 CB VAL A 11 -4.610 13.735 -2.128 1.00 0.00 C ATOM 164 CG1 VAL A 11 -5.999 14.276 -2.445 1.00 0.00 C ATOM 165 CG2 VAL A 11 -3.636 14.866 -1.908 1.00 0.00 C ATOM 0 H VAL A 11 -4.807 11.247 -2.343 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.755 13.026 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.296 13.158 -2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.939 14.956 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.665 13.448 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.387 14.811 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.663 15.541 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.910 15.412 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.630 14.463 -1.796 1.00 0.00 H new ATOM 175 N ALA A 12 -6.811 11.952 -0.459 1.00 0.00 N ATOM 176 CA ALA A 12 -8.117 11.905 0.182 1.00 0.00 C ATOM 177 C ALA A 12 -8.183 10.935 1.362 1.00 0.00 C ATOM 178 O ALA A 12 -9.044 11.085 2.222 1.00 0.00 O ATOM 179 CB ALA A 12 -9.183 11.545 -0.839 1.00 0.00 C ATOM 0 H ALA A 12 -6.674 11.242 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.298 12.901 0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.157 11.512 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.198 12.295 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.959 10.569 -1.270 1.00 0.00 H new ATOM 185 N CYS A 13 -7.293 9.944 1.423 1.00 0.00 N ATOM 186 CA CYS A 13 -7.335 8.993 2.543 1.00 0.00 C ATOM 187 C CYS A 13 -6.956 9.662 3.833 1.00 0.00 C ATOM 188 O CYS A 13 -7.442 9.282 4.888 1.00 0.00 O ATOM 189 CB CYS A 13 -6.422 7.792 2.347 1.00 0.00 C ATOM 190 SG CYS A 13 -4.892 8.162 1.441 1.00 0.00 S ATOM 0 H CYS A 13 -6.556 9.778 0.737 1.00 0.00 H new ATOM 0 HA CYS A 13 -8.365 8.639 2.580 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.163 7.383 3.324 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.970 7.016 1.812 1.00 0.00 H new ATOM 195 N ALA A 14 -6.094 10.663 3.751 1.00 0.00 N ATOM 196 CA ALA A 14 -5.672 11.378 4.937 1.00 0.00 C ATOM 197 C ALA A 14 -6.862 12.083 5.548 1.00 0.00 C ATOM 198 O ALA A 14 -6.967 12.212 6.759 1.00 0.00 O ATOM 199 CB ALA A 14 -4.569 12.368 4.595 1.00 0.00 C ATOM 0 H ALA A 14 -5.677 10.994 2.881 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.271 10.671 5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.263 12.898 5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.715 11.832 4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.938 13.085 3.861 1.00 0.00 H new ATOM 205 N ALA A 15 -7.778 12.498 4.684 1.00 0.00 N ATOM 206 CA ALA A 15 -8.994 13.156 5.109 1.00 0.00 C ATOM 207 C ALA A 15 -10.027 12.115 5.522 1.00 0.00 C ATOM 208 O ALA A 15 -10.827 12.338 6.432 1.00 0.00 O ATOM 209 CB ALA A 15 -9.539 14.028 3.996 1.00 0.00 C ATOM 0 H ALA A 15 -7.695 12.386 3.674 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.771 13.792 5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.454 14.516 4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.800 14.784 3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.755 13.411 3.124 1.00 0.00 H new ATOM 215 N ALA A 16 -9.984 10.970 4.845 1.00 0.00 N ATOM 216 CA ALA A 16 -10.886 9.857 5.121 1.00 0.00 C ATOM 217 C ALA A 16 -10.632 9.307 6.510 1.00 0.00 C ATOM 218 O ALA A 16 -11.550 9.204 7.321 1.00 0.00 O ATOM 219 CB ALA A 16 -10.713 8.769 4.076 1.00 0.00 C ATOM 0 H ALA A 16 -9.323 10.789 4.090 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.913 10.218 5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.392 7.944 4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.938 9.173 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.685 8.407 4.094 1.00 0.00 H new ATOM 225 N ILE A 17 -9.378 8.963 6.800 1.00 0.00 N ATOM 226 CA ILE A 17 -9.058 8.449 8.106 1.00 0.00 C ATOM 227 C ILE A 17 -9.051 9.568 9.159 1.00 0.00 C ATOM 228 O ILE A 17 -9.260 9.314 10.343 1.00 0.00 O ATOM 229 CB ILE A 17 -7.750 7.602 8.130 1.00 0.00 C ATOM 230 CG1 ILE A 17 -7.375 7.302 9.553 1.00 0.00 C ATOM 231 CG2 ILE A 17 -6.551 8.233 7.464 1.00 0.00 C ATOM 232 CD1 ILE A 17 -6.367 8.281 10.120 1.00 0.00 C ATOM 0 H ILE A 17 -8.591 9.033 6.155 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.855 7.754 8.371 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.990 6.708 7.554 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.273 7.316 10.170 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.965 6.294 9.610 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.697 7.560 7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.775 8.420 6.414 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.314 9.175 7.958 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.137 8.011 11.151 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.455 8.250 9.524 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.783 9.288 10.093 1.00 0.00 H new ATOM 244 N ALA A 18 -8.846 10.806 8.717 1.00 0.00 N ATOM 245 CA ALA A 18 -8.847 11.973 9.618 1.00 0.00 C ATOM 246 C ALA A 18 -10.105 11.997 10.489 1.00 0.00 C ATOM 247 O ALA A 18 -10.052 12.361 11.660 1.00 0.00 O ATOM 248 CB ALA A 18 -8.746 13.272 8.829 1.00 0.00 C ATOM 0 H ALA A 18 -8.676 11.035 7.738 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.974 11.884 10.265 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.749 14.117 9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.821 13.277 8.253 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.596 13.353 8.151 1.00 0.00 H new ATOM 254 N GLY A 19 -11.237 11.594 9.917 1.00 0.00 N ATOM 255 CA GLY A 19 -12.476 11.571 10.679 1.00 0.00 C ATOM 256 C GLY A 19 -12.481 10.477 11.735 1.00 0.00 C ATOM 257 O GLY A 19 -13.215 10.555 12.720 1.00 0.00 O ATOM 0 H GLY A 19 -11.320 11.285 8.948 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.623 12.538 11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.315 11.422 10.000 1.00 0.00 H new ATOM 261 N ALA A 20 -11.652 9.461 11.527 1.00 0.00 N ATOM 262 CA ALA A 20 -11.544 8.348 12.454 1.00 0.00 C ATOM 263 C ALA A 20 -10.572 8.659 13.570 1.00 0.00 C ATOM 264 O ALA A 20 -10.832 8.334 14.724 1.00 0.00 O ATOM 265 CB ALA A 20 -11.117 7.093 11.726 1.00 0.00 C ATOM 0 H ALA A 20 -11.040 9.388 10.714 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.527 8.184 12.895 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.041 6.269 12.435 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.854 6.847 10.962 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.148 7.257 11.255 1.00 0.00 H new ATOM 271 N VAL A 21 -9.459 9.306 13.246 1.00 0.00 N ATOM 272 CA VAL A 21 -8.508 9.668 14.281 1.00 0.00 C ATOM 273 C VAL A 21 -9.162 10.683 15.176 1.00 0.00 C ATOM 274 O VAL A 21 -8.993 10.660 16.379 1.00 0.00 O ATOM 275 CB VAL A 21 -7.189 10.246 13.755 1.00 0.00 C ATOM 276 CG1 VAL A 21 -6.418 9.202 12.984 1.00 0.00 C ATOM 277 CG2 VAL A 21 -7.409 11.493 12.925 1.00 0.00 C ATOM 0 H VAL A 21 -9.200 9.583 12.299 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.245 8.750 14.807 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.592 10.541 14.618 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.486 9.633 12.620 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.197 8.357 13.637 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.014 8.860 12.138 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.449 11.869 12.572 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.041 11.254 12.070 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.896 12.255 13.534 1.00 0.00 H new ATOM 287 N ALA A 22 -9.944 11.546 14.543 1.00 0.00 N ATOM 288 CA ALA A 22 -10.704 12.582 15.227 1.00 0.00 C ATOM 289 C ALA A 22 -11.610 11.960 16.277 1.00 0.00 C ATOM 290 O ALA A 22 -11.919 12.581 17.296 1.00 0.00 O ATOM 291 CB ALA A 22 -11.527 13.368 14.219 1.00 0.00 C ATOM 0 H ALA A 22 -10.070 11.546 13.531 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.012 13.261 15.724 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.094 14.142 14.737 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.863 13.831 13.489 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.215 12.695 13.707 1.00 0.00 H new ATOM 297 N ALA A 23 -12.016 10.713 16.031 1.00 0.00 N ATOM 298 CA ALA A 23 -12.862 9.990 16.963 1.00 0.00 C ATOM 299 C ALA A 23 -12.095 9.702 18.252 1.00 0.00 C ATOM 300 O ALA A 23 -12.685 9.592 19.330 1.00 0.00 O ATOM 301 CB ALA A 23 -13.364 8.696 16.331 1.00 0.00 C ATOM 0 H ALA A 23 -11.769 10.188 15.192 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.727 10.607 17.206 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.997 8.165 17.042 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.940 8.928 15.435 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.514 8.068 16.063 1.00 0.00 H new ATOM 307 N CYS A 24 -10.772 9.588 18.138 1.00 0.00 N ATOM 308 CA CYS A 24 -9.926 9.324 19.296 1.00 0.00 C ATOM 309 C CYS A 24 -9.155 10.579 19.735 1.00 0.00 C ATOM 310 O CYS A 24 -8.864 10.752 20.921 1.00 0.00 O ATOM 311 CB CYS A 24 -8.968 8.170 18.995 1.00 0.00 C ATOM 312 SG CYS A 24 -9.311 6.674 19.982 1.00 0.00 S ATOM 0 H CYS A 24 -10.266 9.674 17.257 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.571 9.038 20.127 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -9.031 7.921 17.936 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.946 8.496 19.185 1.00 0.00 H new ATOM 317 N GLY A 25 -8.828 11.457 18.788 1.00 0.00 N ATOM 318 CA GLY A 25 -8.111 12.670 19.116 1.00 0.00 C ATOM 319 C GLY A 25 -6.747 12.741 18.459 1.00 0.00 C ATOM 320 O GLY A 25 -5.881 13.498 18.893 1.00 0.00 O ATOM 0 H GLY A 25 -9.049 11.346 17.799 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.703 13.532 18.808 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.992 12.735 20.198 1.00 0.00 H new ATOM 324 N GLY A 26 -6.557 11.951 17.414 1.00 0.00 N ATOM 325 CA GLY A 26 -5.288 11.933 16.710 1.00 0.00 C ATOM 326 C GLY A 26 -4.992 10.562 16.146 1.00 0.00 C ATOM 327 O GLY A 26 -5.839 9.673 16.233 1.00 0.00 O ATOM 0 H GLY A 26 -7.262 11.318 17.037 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.308 12.664 15.902 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.489 12.230 17.389 1.00 0.00 H new ATOM 331 N ILE A 27 -3.802 10.380 15.564 1.00 0.00 N ATOM 332 CA ILE A 27 -3.416 9.090 14.983 1.00 0.00 C ATOM 333 C ILE A 27 -3.289 8.000 16.060 1.00 0.00 C ATOM 334 O ILE A 27 -2.194 7.627 16.495 1.00 0.00 O ATOM 335 CB ILE A 27 -2.107 9.189 14.151 1.00 0.00 C ATOM 336 CG1 ILE A 27 -2.364 9.984 12.873 1.00 0.00 C ATOM 337 CG2 ILE A 27 -1.592 7.807 13.763 1.00 0.00 C ATOM 338 CD1 ILE A 27 -3.161 9.198 11.851 1.00 0.00 C ATOM 0 H ILE A 27 -3.091 11.107 15.483 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.218 8.806 14.302 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.360 9.688 14.768 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.900 10.900 13.120 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.411 10.281 12.436 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.676 7.910 13.182 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.387 7.229 14.664 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.345 7.293 13.165 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.316 9.809 10.962 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.614 8.295 11.580 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.127 8.924 12.275 1.00 0.00 H new ATOM 350 N ASP A 28 -4.432 7.456 16.435 1.00 0.00 N ATOM 351 CA ASP A 28 -4.516 6.361 17.364 1.00 0.00 C ATOM 352 C ASP A 28 -4.879 5.203 16.480 1.00 0.00 C ATOM 353 O ASP A 28 -6.036 4.820 16.385 1.00 0.00 O ATOM 354 CB ASP A 28 -5.589 6.596 18.426 1.00 0.00 C ATOM 355 CG ASP A 28 -5.163 7.581 19.490 1.00 0.00 C ATOM 356 OD1 ASP A 28 -4.087 7.382 20.088 1.00 0.00 O ATOM 357 OD2 ASP A 28 -5.911 8.543 19.741 1.00 0.00 O ATOM 0 H ASP A 28 -5.339 7.773 16.093 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.594 6.211 17.926 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.496 6.961 17.944 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.839 5.646 18.898 1.00 0.00 H new ATOM 362 N LEU A 29 -3.882 4.740 15.752 1.00 0.00 N ATOM 363 CA LEU A 29 -4.031 3.711 14.746 1.00 0.00 C ATOM 364 C LEU A 29 -4.903 2.512 15.180 1.00 0.00 C ATOM 365 O LEU A 29 -5.754 2.084 14.399 1.00 0.00 O ATOM 366 CB LEU A 29 -2.618 3.375 14.228 1.00 0.00 C ATOM 367 CG LEU A 29 -2.451 2.435 13.039 1.00 0.00 C ATOM 368 CD1 LEU A 29 -1.008 2.493 12.572 1.00 0.00 C ATOM 369 CD2 LEU A 29 -2.831 1.012 13.372 1.00 0.00 C ATOM 0 H LEU A 29 -2.924 5.078 15.847 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.625 4.080 13.910 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.134 4.317 13.969 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.059 2.948 15.061 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.125 2.764 12.248 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.874 1.825 11.721 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.762 3.513 12.275 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.350 2.183 13.384 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.694 0.383 12.492 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.199 0.646 14.181 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.875 0.978 13.684 1.00 0.00 H new ATOM 381 N PRO A 30 -4.772 1.963 16.411 1.00 0.00 N ATOM 382 CA PRO A 30 -5.633 0.847 16.842 1.00 0.00 C ATOM 383 C PRO A 30 -7.088 1.282 17.070 1.00 0.00 C ATOM 384 O PRO A 30 -7.977 0.451 17.266 1.00 0.00 O ATOM 385 CB PRO A 30 -5.012 0.404 18.169 1.00 0.00 C ATOM 386 CG PRO A 30 -4.283 1.600 18.682 1.00 0.00 C ATOM 387 CD PRO A 30 -3.828 2.375 17.475 1.00 0.00 C ATOM 0 HA PRO A 30 -5.677 0.062 16.087 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.778 0.079 18.873 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.334 -0.437 18.025 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.932 2.209 19.312 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.432 1.302 19.295 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.869 3.450 17.651 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.798 2.135 17.211 1.00 0.00 H new ATOM 395 N CYS A 31 -7.299 2.590 17.071 1.00 0.00 N ATOM 396 CA CYS A 31 -8.604 3.191 17.309 1.00 0.00 C ATOM 397 C CYS A 31 -9.297 3.642 16.030 1.00 0.00 C ATOM 398 O CYS A 31 -10.460 3.322 15.795 1.00 0.00 O ATOM 399 CB CYS A 31 -8.414 4.417 18.194 1.00 0.00 C ATOM 400 SG CYS A 31 -9.945 5.301 18.630 1.00 0.00 S ATOM 0 H CYS A 31 -6.560 3.273 16.904 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.230 2.430 17.776 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.917 4.108 19.114 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.744 5.111 17.687 1.00 0.00 H new ATOM 405 N VAL A 32 -8.590 4.441 15.235 1.00 0.00 N ATOM 406 CA VAL A 32 -9.162 5.002 14.002 1.00 0.00 C ATOM 407 C VAL A 32 -9.631 3.917 13.045 1.00 0.00 C ATOM 408 O VAL A 32 -10.556 4.140 12.278 1.00 0.00 O ATOM 409 CB VAL A 32 -8.184 5.974 13.275 1.00 0.00 C ATOM 410 CG1 VAL A 32 -7.102 6.427 14.232 1.00 0.00 C ATOM 411 CG2 VAL A 32 -7.616 5.391 11.994 1.00 0.00 C ATOM 0 H VAL A 32 -7.625 4.717 15.416 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.031 5.580 14.317 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.754 6.849 12.961 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.422 7.106 13.717 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.557 6.942 15.078 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.547 5.560 14.590 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.942 6.113 11.533 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.067 4.477 12.222 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.430 5.163 11.306 1.00 0.00 H new ATOM 421 N LEU A 33 -9.012 2.741 13.081 1.00 0.00 N ATOM 422 CA LEU A 33 -9.413 1.678 12.180 1.00 0.00 C ATOM 423 C LEU A 33 -10.765 1.072 12.570 1.00 0.00 C ATOM 424 O LEU A 33 -11.182 0.061 12.011 1.00 0.00 O ATOM 425 CB LEU A 33 -8.344 0.598 12.107 1.00 0.00 C ATOM 426 CG LEU A 33 -8.306 -0.144 10.777 1.00 0.00 C ATOM 427 CD1 LEU A 33 -7.086 0.252 9.970 1.00 0.00 C ATOM 428 CD2 LEU A 33 -8.343 -1.636 11.007 1.00 0.00 C ATOM 0 H LEU A 33 -8.246 2.507 13.713 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.529 2.123 11.192 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.370 1.052 12.286 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.513 -0.121 12.908 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.188 0.136 10.202 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.082 -0.292 9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.113 1.324 9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.184 0.009 10.532 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.315 -2.153 10.048 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.481 -1.934 11.605 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.259 -1.900 11.535 1.00 0.00 H new ATOM 440 N ALA A 34 -11.462 1.712 13.497 1.00 0.00 N ATOM 441 CA ALA A 34 -12.784 1.261 13.909 1.00 0.00 C ATOM 442 C ALA A 34 -13.826 2.094 13.180 1.00 0.00 C ATOM 443 O ALA A 34 -14.844 1.587 12.709 1.00 0.00 O ATOM 444 CB ALA A 34 -12.960 1.379 15.415 1.00 0.00 C ATOM 0 H ALA A 34 -11.133 2.548 13.980 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.904 0.208 13.653 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.956 1.035 15.693 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.211 0.767 15.918 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.839 2.420 15.715 1.00 0.00 H new ATOM 450 N ALA A 35 -13.534 3.384 13.066 1.00 0.00 N ATOM 451 CA ALA A 35 -14.404 4.315 12.369 1.00 0.00 C ATOM 452 C ALA A 35 -13.983 4.418 10.911 1.00 0.00 C ATOM 453 O ALA A 35 -14.821 4.461 10.014 1.00 0.00 O ATOM 454 CB ALA A 35 -14.358 5.681 13.027 1.00 0.00 C ATOM 0 H ALA A 35 -12.692 3.810 13.453 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.428 3.945 12.420 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -15.016 6.365 12.491 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.687 5.597 14.063 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.338 6.063 13.001 1.00 0.00 H new ATOM 460 N LEU A 36 -12.666 4.437 10.687 1.00 0.00 N ATOM 461 CA LEU A 36 -12.110 4.510 9.345 1.00 0.00 C ATOM 462 C LEU A 36 -12.397 3.242 8.586 1.00 0.00 C ATOM 463 O LEU A 36 -12.379 3.225 7.359 1.00 0.00 O ATOM 464 CB LEU A 36 -10.589 4.680 9.367 1.00 0.00 C ATOM 465 CG LEU A 36 -9.940 4.370 8.025 1.00 0.00 C ATOM 466 CD1 LEU A 36 -10.259 5.457 7.049 1.00 0.00 C ATOM 467 CD2 LEU A 36 -8.455 4.171 8.127 1.00 0.00 C ATOM 0 H LEU A 36 -11.966 4.402 11.428 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.574 5.373 8.867 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.347 5.703 9.655 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.166 4.026 10.129 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.354 3.425 7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.793 5.233 6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.339 5.525 6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.877 6.407 7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.048 3.953 7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.992 5.077 8.518 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.245 3.338 8.798 1.00 0.00 H new ATOM 479 N LYS A 37 -12.615 2.168 9.320 1.00 0.00 N ATOM 480 CA LYS A 37 -12.852 0.881 8.698 1.00 0.00 C ATOM 481 C LYS A 37 -14.035 0.941 7.720 1.00 0.00 C ATOM 482 O LYS A 37 -14.178 0.068 6.861 1.00 0.00 O ATOM 483 CB LYS A 37 -13.091 -0.197 9.757 1.00 0.00 C ATOM 484 CG LYS A 37 -13.336 -1.587 9.193 1.00 0.00 C ATOM 485 CD LYS A 37 -12.112 -2.163 8.489 1.00 0.00 C ATOM 486 CE LYS A 37 -12.414 -3.553 7.942 1.00 0.00 C ATOM 487 NZ LYS A 37 -11.200 -4.252 7.432 1.00 0.00 N ATOM 0 H LYS A 37 -12.633 2.161 10.340 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.959 0.620 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.228 -0.235 10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.948 0.092 10.365 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.632 -2.255 10.002 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.169 -1.548 8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.810 -1.504 7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.275 -2.214 9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.871 -4.155 8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.145 -3.470 7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.465 -5.191 7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.776 -3.695 6.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.511 -4.358 8.204 1.00 0.00 H new ATOM 501 N ALA A 38 -14.851 2.000 7.829 1.00 0.00 N ATOM 502 CA ALA A 38 -15.978 2.201 6.923 1.00 0.00 C ATOM 503 C ALA A 38 -15.447 2.251 5.498 1.00 0.00 C ATOM 504 O ALA A 38 -16.115 1.839 4.546 1.00 0.00 O ATOM 505 CB ALA A 38 -16.729 3.480 7.269 1.00 0.00 C ATOM 0 H ALA A 38 -14.747 2.727 8.537 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.683 1.376 7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.564 3.609 6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.106 3.416 8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.055 4.332 7.185 1.00 0.00 H new ATOM 511 N ALA A 39 -14.199 2.702 5.386 1.00 0.00 N ATOM 512 CA ALA A 39 -13.496 2.744 4.122 1.00 0.00 C ATOM 513 C ALA A 39 -13.174 1.309 3.749 1.00 0.00 C ATOM 514 O ALA A 39 -12.481 0.627 4.505 1.00 0.00 O ATOM 515 CB ALA A 39 -12.213 3.570 4.247 1.00 0.00 C ATOM 0 H ALA A 39 -13.653 3.047 6.175 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.108 3.216 3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.698 3.590 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.463 4.588 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.563 3.121 4.998 1.00 0.00 H new ATOM 521 N GLU A 40 -13.703 0.841 2.620 1.00 0.00 N ATOM 522 CA GLU A 40 -13.494 -0.541 2.187 1.00 0.00 C ATOM 523 C GLU A 40 -12.024 -0.942 2.230 1.00 0.00 C ATOM 524 O GLU A 40 -11.702 -2.120 2.396 1.00 0.00 O ATOM 525 CB GLU A 40 -14.087 -0.793 0.791 1.00 0.00 C ATOM 526 CG GLU A 40 -13.448 -0.007 -0.350 1.00 0.00 C ATOM 527 CD GLU A 40 -13.884 1.438 -0.399 1.00 0.00 C ATOM 528 OE1 GLU A 40 -13.323 2.256 0.346 1.00 0.00 O ATOM 529 OE2 GLU A 40 -14.805 1.748 -1.179 1.00 0.00 O ATOM 0 H GLU A 40 -14.279 1.397 1.988 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.026 -1.172 2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.003 -1.856 0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.151 -0.556 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.364 -0.049 -0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.697 -0.487 -1.296 1.00 0.00 H new ATOM 536 N GLY A 41 -11.126 0.026 2.105 1.00 0.00 N ATOM 537 CA GLY A 41 -9.724 -0.299 2.167 1.00 0.00 C ATOM 538 C GLY A 41 -8.802 0.882 1.983 1.00 0.00 C ATOM 539 O GLY A 41 -7.788 0.749 1.315 1.00 0.00 O ATOM 0 H GLY A 41 -11.342 1.013 1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.513 -0.763 3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.501 -1.041 1.401 1.00 0.00 H new ATOM 543 N CYS A 42 -9.085 2.024 2.613 1.00 0.00 N ATOM 544 CA CYS A 42 -8.169 3.146 2.494 1.00 0.00 C ATOM 545 C CYS A 42 -7.437 3.289 3.807 1.00 0.00 C ATOM 546 O CYS A 42 -6.662 4.222 4.026 1.00 0.00 O ATOM 547 CB CYS A 42 -8.847 4.453 2.077 1.00 0.00 C ATOM 548 SG CYS A 42 -7.982 5.289 0.691 1.00 0.00 S ATOM 0 H CYS A 42 -9.911 2.189 3.189 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.468 2.936 1.686 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.877 4.246 1.785 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.887 5.126 2.933 1.00 0.00 H new ATOM 553 N ALA A 43 -7.654 2.287 4.656 1.00 0.00 N ATOM 554 CA ALA A 43 -6.989 2.187 5.938 1.00 0.00 C ATOM 555 C ALA A 43 -5.551 1.823 5.665 1.00 0.00 C ATOM 556 O ALA A 43 -4.649 2.073 6.460 1.00 0.00 O ATOM 557 CB ALA A 43 -7.644 1.119 6.776 1.00 0.00 C ATOM 0 H ALA A 43 -8.301 1.521 4.466 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.053 3.128 6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.138 1.050 7.739 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.692 1.373 6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.577 0.160 6.261 1.00 0.00 H new ATOM 563 N SER A 44 -5.383 1.265 4.479 1.00 0.00 N ATOM 564 CA SER A 44 -4.107 0.868 3.944 1.00 0.00 C ATOM 565 C SER A 44 -3.219 2.096 3.834 1.00 0.00 C ATOM 566 O SER A 44 -2.016 2.057 4.079 1.00 0.00 O ATOM 567 CB SER A 44 -4.379 0.282 2.569 1.00 0.00 C ATOM 568 OG SER A 44 -5.141 1.192 1.790 1.00 0.00 O ATOM 0 H SER A 44 -6.160 1.073 3.847 1.00 0.00 H new ATOM 0 HA SER A 44 -3.604 0.138 4.578 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.437 0.062 2.067 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.916 -0.662 2.668 1.00 0.00 H new ATOM 0 HG SER A 44 -6.088 0.943 1.830 1.00 0.00 H new ATOM 574 N CYS A 45 -3.873 3.192 3.487 1.00 0.00 N ATOM 575 CA CYS A 45 -3.224 4.497 3.352 1.00 0.00 C ATOM 576 C CYS A 45 -2.863 5.027 4.724 1.00 0.00 C ATOM 577 O CYS A 45 -1.744 5.478 4.963 1.00 0.00 O ATOM 578 CB CYS A 45 -4.160 5.489 2.673 1.00 0.00 C ATOM 579 SG CYS A 45 -3.436 7.134 2.409 1.00 0.00 S ATOM 0 H CYS A 45 -4.873 3.208 3.289 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.326 4.377 2.746 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.468 5.081 1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.061 5.594 3.277 1.00 0.00 H new ATOM 584 N PHE A 46 -3.836 4.942 5.623 1.00 0.00 N ATOM 585 CA PHE A 46 -3.669 5.369 6.998 1.00 0.00 C ATOM 586 C PHE A 46 -2.456 4.657 7.585 1.00 0.00 C ATOM 587 O PHE A 46 -1.481 5.297 7.970 1.00 0.00 O ATOM 588 CB PHE A 46 -4.967 5.061 7.752 1.00 0.00 C ATOM 589 CG PHE A 46 -4.835 4.759 9.209 1.00 0.00 C ATOM 590 CD1 PHE A 46 -4.681 5.751 10.169 1.00 0.00 C ATOM 591 CD2 PHE A 46 -4.899 3.452 9.628 1.00 0.00 C ATOM 592 CE1 PHE A 46 -4.607 5.452 11.459 1.00 0.00 C ATOM 593 CE2 PHE A 46 -4.818 3.143 10.949 1.00 0.00 C ATOM 594 CZ PHE A 46 -4.676 4.145 11.872 1.00 0.00 C ATOM 0 H PHE A 46 -4.764 4.573 5.414 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.484 6.440 7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.637 5.913 7.639 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.448 4.210 7.269 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.620 6.784 9.860 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.015 2.662 8.900 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.492 6.241 12.188 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.865 2.113 11.269 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.618 3.907 12.924 1.00 0.00 H new ATOM 604 N CYS A 47 -2.485 3.330 7.599 1.00 0.00 N ATOM 605 CA CYS A 47 -1.338 2.579 8.092 1.00 0.00 C ATOM 606 C CYS A 47 -0.353 2.260 6.951 1.00 0.00 C ATOM 607 O CYS A 47 0.000 1.104 6.716 1.00 0.00 O ATOM 608 CB CYS A 47 -1.747 1.286 8.801 1.00 0.00 C ATOM 609 SG CYS A 47 -0.326 0.242 9.261 1.00 0.00 S ATOM 0 H CYS A 47 -3.271 2.762 7.282 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.844 3.217 8.824 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.313 1.534 9.699 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.413 0.718 8.151 1.00 0.00 H new ATOM 614 N GLU A 48 0.114 3.280 6.248 1.00 0.00 N ATOM 615 CA GLU A 48 1.080 3.058 5.176 1.00 0.00 C ATOM 616 C GLU A 48 2.457 3.391 5.717 1.00 0.00 C ATOM 617 O GLU A 48 3.400 2.604 5.622 1.00 0.00 O ATOM 618 CB GLU A 48 0.778 3.923 3.944 1.00 0.00 C ATOM 619 CG GLU A 48 1.480 3.446 2.679 1.00 0.00 C ATOM 620 CD GLU A 48 1.414 4.449 1.548 1.00 0.00 C ATOM 621 OE1 GLU A 48 1.145 5.637 1.813 1.00 0.00 O ATOM 622 OE2 GLU A 48 1.660 4.054 0.392 1.00 0.00 O ATOM 0 H GLU A 48 -0.152 4.254 6.394 1.00 0.00 H new ATOM 0 HA GLU A 48 1.025 2.018 4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.298 3.932 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.076 4.951 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.524 3.234 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.029 2.509 2.352 1.00 0.00 H new ATOM 629 N ASP A 49 2.539 4.567 6.319 1.00 0.00 N ATOM 630 CA ASP A 49 3.765 5.052 6.928 1.00 0.00 C ATOM 631 C ASP A 49 3.975 4.390 8.287 1.00 0.00 C ATOM 632 O ASP A 49 5.104 4.143 8.710 1.00 0.00 O ATOM 633 CB ASP A 49 3.688 6.576 7.070 1.00 0.00 C ATOM 634 CG ASP A 49 4.739 7.148 7.989 1.00 0.00 C ATOM 635 OD1 ASP A 49 5.942 6.957 7.716 1.00 0.00 O ATOM 636 OD2 ASP A 49 4.358 7.801 8.979 1.00 0.00 O ATOM 0 H ASP A 49 1.754 5.213 6.399 1.00 0.00 H new ATOM 0 HA ASP A 49 4.615 4.797 6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.792 7.031 6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.701 6.849 7.445 1.00 0.00 H new ATOM 641 N HIS A 50 2.872 4.096 8.964 1.00 0.00 N ATOM 642 CA HIS A 50 2.926 3.460 10.274 1.00 0.00 C ATOM 643 C HIS A 50 2.653 1.968 10.157 1.00 0.00 C ATOM 644 O HIS A 50 1.945 1.403 10.986 1.00 0.00 O ATOM 645 CB HIS A 50 1.929 4.067 11.296 1.00 0.00 C ATOM 646 CG HIS A 50 1.029 5.179 10.812 1.00 0.00 C ATOM 647 ND1 HIS A 50 1.163 6.077 9.810 1.00 0.00 N flip ATOM 648 CD2 HIS A 50 -0.174 5.476 11.421 1.00 0.00 C flip ATOM 649 CE1 HIS A 50 0.057 6.892 9.833 1.00 0.00 C flip ATOM 650 NE2 HIS A 50 -0.736 6.501 10.813 1.00 0.00 N flip ATOM 0 H HIS A 50 1.929 4.288 8.627 1.00 0.00 H new ATOM 0 HA HIS A 50 3.935 3.640 10.646 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.297 3.261 11.670 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.502 4.442 12.144 1.00 0.00 H new ATOM 0 HD1 HIS A 50 1.943 6.138 9.156 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.591 4.949 12.266 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.132 7.716 9.161 1.00 0.00 H new ATOM 659 N CYS A 51 3.220 1.332 9.136 1.00 0.00 N ATOM 660 CA CYS A 51 3.042 -0.113 8.941 1.00 0.00 C ATOM 661 C CYS A 51 3.814 -0.878 10.012 1.00 0.00 C ATOM 662 O CYS A 51 4.934 -1.338 9.780 1.00 0.00 O ATOM 663 CB CYS A 51 3.505 -0.553 7.544 1.00 0.00 C ATOM 664 SG CYS A 51 3.651 -2.367 7.344 1.00 0.00 S ATOM 0 H CYS A 51 3.803 1.786 8.433 1.00 0.00 H new ATOM 0 HA CYS A 51 1.979 -0.337 9.027 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.803 -0.172 6.803 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.471 -0.096 7.332 1.00 0.00 H new ATOM 669 N HIS A 52 3.221 -0.967 11.197 1.00 0.00 N ATOM 670 CA HIS A 52 3.839 -1.628 12.335 1.00 0.00 C ATOM 671 C HIS A 52 2.880 -1.635 13.521 1.00 0.00 C ATOM 672 O HIS A 52 1.682 -1.401 13.358 1.00 0.00 O ATOM 673 CB HIS A 52 5.138 -0.887 12.711 1.00 0.00 C ATOM 674 CG HIS A 52 4.952 0.561 13.110 1.00 0.00 C ATOM 675 ND1 HIS A 52 3.836 1.268 13.430 1.00 0.00 N flip ATOM 676 CD2 HIS A 52 6.001 1.448 13.229 1.00 0.00 C flip ATOM 677 CE1 HIS A 52 4.225 2.546 13.731 1.00 0.00 C flip ATOM 678 NE2 HIS A 52 5.538 2.631 13.601 1.00 0.00 N flip ATOM 0 H HIS A 52 2.297 -0.582 11.394 1.00 0.00 H new ATOM 0 HA HIS A 52 4.073 -2.659 12.070 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.616 -1.417 13.535 1.00 0.00 H new ATOM 0 HB3 HIS A 52 5.822 -0.930 11.864 1.00 0.00 H new ATOM 0 HD2 HIS A 52 7.039 1.214 13.047 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.568 3.351 14.026 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.100 3.467 13.761 1.00 0.00 H new ATOM 687 N GLY A 53 3.438 -1.849 14.705 1.00 0.00 N ATOM 688 CA GLY A 53 2.674 -1.827 15.941 1.00 0.00 C ATOM 689 C GLY A 53 1.387 -2.629 15.933 1.00 0.00 C ATOM 690 O GLY A 53 1.407 -3.857 15.995 1.00 0.00 O ATOM 0 H GLY A 53 4.431 -2.042 14.834 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.308 -2.200 16.745 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.433 -0.791 16.179 1.00 0.00 H new ATOM 694 N VAL A 54 0.265 -1.923 15.918 1.00 0.00 N ATOM 695 CA VAL A 54 -1.035 -2.554 15.984 1.00 0.00 C ATOM 696 C VAL A 54 -1.687 -2.763 14.603 1.00 0.00 C ATOM 697 O VAL A 54 -2.792 -3.277 14.520 1.00 0.00 O ATOM 698 CB VAL A 54 -1.940 -1.700 16.898 1.00 0.00 C ATOM 699 CG1 VAL A 54 -2.344 -0.440 16.177 1.00 0.00 C ATOM 700 CG2 VAL A 54 -3.154 -2.466 17.387 1.00 0.00 C ATOM 0 H VAL A 54 0.235 -0.905 15.860 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.905 -3.556 16.394 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.367 -1.436 17.787 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.983 0.161 16.824 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.453 0.131 15.915 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.889 -0.699 15.269 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.758 -1.821 18.026 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.748 -2.790 16.533 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.830 -3.338 17.955 1.00 0.00 H new ATOM 710 N CYS A 55 -0.982 -2.457 13.514 1.00 0.00 N ATOM 711 CA CYS A 55 -1.513 -2.702 12.164 1.00 0.00 C ATOM 712 C CYS A 55 -1.506 -4.187 11.956 1.00 0.00 C ATOM 713 O CYS A 55 -2.202 -4.751 11.115 1.00 0.00 O ATOM 714 CB CYS A 55 -0.630 -2.050 11.126 1.00 0.00 C ATOM 715 SG CYS A 55 -0.664 -0.253 11.181 1.00 0.00 S ATOM 0 H CYS A 55 -0.050 -2.043 13.534 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.517 -2.288 12.067 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.396 -2.390 11.268 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.942 -2.381 10.135 1.00 0.00 H new ATOM 720 N LYS A 56 -0.712 -4.794 12.799 1.00 0.00 N ATOM 721 CA LYS A 56 -0.542 -6.210 12.850 1.00 0.00 C ATOM 722 C LYS A 56 -1.658 -6.816 13.698 1.00 0.00 C ATOM 723 O LYS A 56 -1.844 -8.032 13.732 1.00 0.00 O ATOM 724 CB LYS A 56 0.830 -6.482 13.457 1.00 0.00 C ATOM 725 CG LYS A 56 1.982 -6.397 12.463 1.00 0.00 C ATOM 726 CD LYS A 56 2.219 -7.723 11.761 1.00 0.00 C ATOM 727 CE LYS A 56 2.969 -8.682 12.676 1.00 0.00 C ATOM 728 NZ LYS A 56 3.152 -10.033 12.082 1.00 0.00 N ATOM 0 H LYS A 56 -0.151 -4.294 13.488 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.596 -6.660 11.859 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.006 -5.769 14.262 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.825 -7.475 13.906 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.767 -5.627 11.722 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.890 -6.094 12.984 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.265 -8.162 11.467 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.790 -7.561 10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.946 -8.260 12.912 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.427 -8.776 13.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.668 -10.639 12.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.222 -10.453 11.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.694 -9.953 11.198 1.00 0.00 H new ATOM 742 N ASP A 57 -2.393 -5.935 14.381 1.00 0.00 N ATOM 743 CA ASP A 57 -3.495 -6.335 15.247 1.00 0.00 C ATOM 744 C ASP A 57 -4.851 -6.095 14.582 1.00 0.00 C ATOM 745 O ASP A 57 -5.681 -7.004 14.524 1.00 0.00 O ATOM 746 CB ASP A 57 -3.443 -5.547 16.556 1.00 0.00 C ATOM 747 CG ASP A 57 -4.050 -6.303 17.715 1.00 0.00 C ATOM 748 OD1 ASP A 57 -5.275 -6.519 17.704 1.00 0.00 O ATOM 749 OD2 ASP A 57 -3.300 -6.687 18.632 1.00 0.00 O ATOM 0 H ASP A 57 -2.238 -4.927 14.347 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.386 -7.402 15.442 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.406 -5.305 16.789 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.970 -4.602 16.428 1.00 0.00 H new ATOM 754 N LEU A 58 -5.098 -4.861 14.110 1.00 0.00 N ATOM 755 CA LEU A 58 -6.389 -4.536 13.495 1.00 0.00 C ATOM 756 C LEU A 58 -6.590 -5.184 12.113 1.00 0.00 C ATOM 757 O LEU A 58 -7.711 -5.181 11.597 1.00 0.00 O ATOM 758 CB LEU A 58 -6.701 -3.008 13.492 1.00 0.00 C ATOM 759 CG LEU A 58 -5.648 -1.984 13.008 1.00 0.00 C ATOM 760 CD1 LEU A 58 -4.883 -1.427 14.186 1.00 0.00 C ATOM 761 CD2 LEU A 58 -4.710 -2.568 11.974 1.00 0.00 C ATOM 0 H LEU A 58 -4.433 -4.088 14.143 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.134 -4.993 14.146 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.592 -2.865 12.880 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.968 -2.734 14.513 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.182 -1.170 12.518 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.145 -0.707 13.833 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.575 -0.932 14.868 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.377 -2.239 14.708 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.990 -1.810 11.666 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.180 -3.419 12.403 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.283 -2.897 11.107 1.00 0.00 H new ATOM 773 N HIS A 59 -5.505 -5.741 11.544 1.00 0.00 N ATOM 774 CA HIS A 59 -5.497 -6.427 10.246 1.00 0.00 C ATOM 775 C HIS A 59 -5.247 -5.420 9.164 1.00 0.00 C ATOM 776 O HIS A 59 -6.169 -4.968 8.486 1.00 0.00 O ATOM 777 CB HIS A 59 -6.793 -7.205 9.988 1.00 0.00 C ATOM 778 CG HIS A 59 -6.576 -8.551 9.380 1.00 0.00 C ATOM 779 ND1 HIS A 59 -6.115 -8.735 8.096 1.00 0.00 N ATOM 780 CD2 HIS A 59 -6.753 -9.786 9.899 1.00 0.00 C ATOM 781 CE1 HIS A 59 -6.020 -10.031 7.848 1.00 0.00 C ATOM 782 NE2 HIS A 59 -6.403 -10.691 8.927 1.00 0.00 N ATOM 0 H HIS A 59 -4.587 -5.724 11.989 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.696 -7.167 10.253 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -7.328 -7.324 10.930 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -7.433 -6.618 9.330 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.104 -10.018 10.893 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -5.686 -10.474 6.921 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -6.434 -11.706 9.022 1.00 0.00 H new ATOM 791 N LEU A 60 -3.992 -5.025 9.054 1.00 0.00 N ATOM 792 CA LEU A 60 -3.610 -4.017 8.117 1.00 0.00 C ATOM 793 C LEU A 60 -2.269 -4.314 7.462 1.00 0.00 C ATOM 794 O LEU A 60 -2.200 -4.875 6.369 1.00 0.00 O ATOM 795 CB LEU A 60 -3.545 -2.700 8.879 1.00 0.00 C ATOM 796 CG LEU A 60 -4.228 -1.551 8.189 1.00 0.00 C ATOM 797 CD1 LEU A 60 -3.335 -1.078 7.077 1.00 0.00 C ATOM 798 CD2 LEU A 60 -5.574 -2.019 7.675 1.00 0.00 C ATOM 0 H LEU A 60 -3.224 -5.398 9.612 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.341 -3.977 7.309 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.997 -2.839 9.861 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.499 -2.440 9.043 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.404 -0.719 8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.809 -0.243 6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.380 -0.754 7.490 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.168 -1.893 6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.079 -1.194 7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.430 -2.839 6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.184 -2.362 8.511 1.00 0.00 H new ATOM 810 N CYS A 61 -1.208 -3.911 8.137 1.00 0.00 N ATOM 811 CA CYS A 61 0.142 -4.094 7.630 1.00 0.00 C ATOM 812 C CYS A 61 1.057 -4.569 8.749 1.00 0.00 C ATOM 813 O CYS A 61 1.433 -5.756 8.741 1.00 0.00 O ATOM 814 CB CYS A 61 0.648 -2.765 7.040 1.00 0.00 C ATOM 815 SG CYS A 61 2.176 -2.888 6.051 1.00 0.00 S ATOM 816 OXT CYS A 61 1.374 -3.755 9.636 1.00 0.00 O ATOM 0 H CYS A 61 -1.255 -3.451 9.046 1.00 0.00 H new ATOM 0 HA CYS A 61 0.141 -4.851 6.846 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.138 -2.341 6.415 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.818 -2.064 7.857 1.00 0.00 H new TER 821 CYS A 61