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+ -171:sc= 0 (180deg=-0.0883) USER MOD Single : A 2 MET CE :methyl -159:sc= -0.162 (180deg=-1) USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= -0.0381 (180deg=-0.269) USER MOD Single : A 6 SER OG : rot 180:sc= -0.199 USER MOD Single : A 9 LYS NZ :NH3+ -152:sc= 1.3 (180deg=0.741) USER MOD Single : A 10 LYS NZ :NH3+ 141:sc= 1.48 (180deg=-0.316) USER MOD Single : A 37 LYS NZ :NH3+ 167:sc= -0.0157 (180deg=-0.191) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -3.3! K(o=-3.3!,f=-0.53) USER MOD Single : A 52 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2) 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=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.448 1.143 -6.785 1.00 0.00 N ATOM 2 CA ALA A 1 0.544 0.102 -6.412 1.00 0.00 C ATOM 3 C ALA A 1 0.779 0.084 -4.903 1.00 0.00 C ATOM 4 O ALA A 1 0.983 -0.979 -4.313 1.00 0.00 O ATOM 5 CB ALA A 1 1.870 0.312 -7.141 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.704 1.035 -7.787 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.299 1.038 -6.197 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.036 2.086 -6.632 1.00 0.00 H new ATOM 0 HA ALA A 1 0.132 -0.861 -6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.574 -0.466 -6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.705 0.264 -8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.278 1.289 -6.880 1.00 0.00 H new ATOM 13 N MET A 2 0.759 1.257 -4.275 1.00 0.00 N ATOM 14 CA MET A 2 0.979 1.349 -2.838 1.00 0.00 C ATOM 15 C MET A 2 -0.328 1.637 -2.093 1.00 0.00 C ATOM 16 O MET A 2 -0.805 2.774 -2.053 1.00 0.00 O ATOM 17 CB MET A 2 2.038 2.417 -2.521 1.00 0.00 C ATOM 18 CG MET A 2 1.762 3.771 -3.161 1.00 0.00 C ATOM 19 SD MET A 2 3.050 4.983 -2.811 1.00 0.00 S ATOM 20 CE MET A 2 3.055 4.973 -1.020 1.00 0.00 C ATOM 0 H MET A 2 0.594 2.151 -4.737 1.00 0.00 H new ATOM 0 HA MET A 2 1.350 0.384 -2.492 1.00 0.00 H new ATOM 0 HB2 MET A 2 2.100 2.543 -1.440 1.00 0.00 H new ATOM 0 HB3 MET A 2 3.012 2.060 -2.856 1.00 0.00 H new ATOM 0 HG2 MET A 2 1.670 3.646 -4.240 1.00 0.00 H new ATOM 0 HG3 MET A 2 0.805 4.150 -2.801 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.501 5.897 -0.652 1.00 0.00 H new ATOM 0 HE2 MET A 2 2.031 4.893 -0.654 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.636 4.123 -0.663 1.00 0.00 H new ATOM 30 N GLY A 3 -0.908 0.594 -1.508 1.00 0.00 N ATOM 31 CA GLY A 3 -2.154 0.752 -0.779 1.00 0.00 C ATOM 32 C GLY A 3 -3.359 0.727 -1.690 1.00 0.00 C ATOM 33 O GLY A 3 -3.230 0.877 -2.902 1.00 0.00 O ATOM 0 H GLY A 3 -0.539 -0.357 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.243 -0.044 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.135 1.694 -0.231 1.00 0.00 H new ATOM 37 N LYS A 4 -4.541 0.572 -1.107 1.00 0.00 N ATOM 38 CA LYS A 4 -5.788 0.568 -1.866 1.00 0.00 C ATOM 39 C LYS A 4 -6.195 2.010 -2.128 1.00 0.00 C ATOM 40 O LYS A 4 -7.373 2.363 -2.158 1.00 0.00 O ATOM 41 CB LYS A 4 -6.874 -0.134 -1.055 1.00 0.00 C ATOM 42 CG LYS A 4 -8.071 -0.591 -1.880 1.00 0.00 C ATOM 43 CD LYS A 4 -7.642 -1.512 -3.013 1.00 0.00 C ATOM 44 CE LYS A 4 -8.838 -2.033 -3.799 1.00 0.00 C ATOM 45 NZ LYS A 4 -9.734 -2.865 -2.952 1.00 0.00 N ATOM 0 H LYS A 4 -4.664 0.446 -0.102 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.654 0.041 -2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.438 -1.000 -0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.222 0.541 -0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.782 -1.109 -1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.586 0.278 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.971 -0.975 -3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.080 -2.353 -2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.400 -1.192 -4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.488 -2.623 -4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.384 -3.404 -3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.163 -3.524 -2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.283 -2.250 -2.318 1.00 0.00 H new ATOM 59 N CYS A 5 -5.189 2.843 -2.254 1.00 0.00 N ATOM 60 CA CYS A 5 -5.374 4.253 -2.438 1.00 0.00 C ATOM 61 C CYS A 5 -4.543 4.752 -3.617 1.00 0.00 C ATOM 62 O CYS A 5 -3.312 4.800 -3.543 1.00 0.00 O ATOM 63 CB CYS A 5 -4.953 4.927 -1.133 1.00 0.00 C ATOM 64 SG CYS A 5 -5.778 4.236 0.345 1.00 0.00 S ATOM 0 H CYS A 5 -4.211 2.553 -2.231 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.413 4.489 -2.668 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.874 4.830 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.172 5.993 -1.197 1.00 0.00 H new ATOM 69 N SER A 6 -5.224 5.113 -4.702 1.00 0.00 N ATOM 70 CA SER A 6 -4.568 5.608 -5.907 1.00 0.00 C ATOM 71 C SER A 6 -4.094 7.044 -5.716 1.00 0.00 C ATOM 72 O SER A 6 -4.006 7.526 -4.591 1.00 0.00 O ATOM 73 CB SER A 6 -5.531 5.517 -7.094 1.00 0.00 C ATOM 74 OG SER A 6 -6.745 6.205 -6.825 1.00 0.00 O ATOM 0 H SER A 6 -6.241 5.071 -4.770 1.00 0.00 H new ATOM 0 HA SER A 6 -3.694 4.989 -6.108 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.060 5.939 -7.981 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.744 4.471 -7.314 1.00 0.00 H new ATOM 0 HG SER A 6 -7.341 6.132 -7.600 1.00 0.00 H new ATOM 80 N VAL A 7 -3.799 7.722 -6.818 1.00 0.00 N ATOM 81 CA VAL A 7 -3.345 9.106 -6.774 1.00 0.00 C ATOM 82 C VAL A 7 -4.333 9.983 -6.013 1.00 0.00 C ATOM 83 O VAL A 7 -3.992 10.615 -5.013 1.00 0.00 O ATOM 84 CB VAL A 7 -3.144 9.656 -8.207 1.00 0.00 C ATOM 85 CG1 VAL A 7 -4.318 9.297 -9.109 1.00 0.00 C ATOM 86 CG2 VAL A 7 -2.905 11.163 -8.195 1.00 0.00 C ATOM 0 H VAL A 7 -3.867 7.333 -7.758 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.390 9.128 -6.248 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.253 9.181 -8.616 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.145 9.698 -10.108 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.415 8.213 -9.165 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.234 9.723 -8.700 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.768 11.518 -9.216 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.764 11.664 -7.749 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.012 11.385 -7.611 1.00 0.00 H new ATOM 96 N LEU A 8 -5.553 10.013 -6.504 1.00 0.00 N ATOM 97 CA LEU A 8 -6.611 10.809 -5.898 1.00 0.00 C ATOM 98 C LEU A 8 -7.064 10.221 -4.565 1.00 0.00 C ATOM 99 O LEU A 8 -7.506 10.950 -3.681 1.00 0.00 O ATOM 100 CB LEU A 8 -7.797 10.922 -6.856 1.00 0.00 C ATOM 101 CG LEU A 8 -8.442 9.594 -7.260 1.00 0.00 C ATOM 102 CD1 LEU A 8 -9.936 9.624 -6.994 1.00 0.00 C ATOM 103 CD2 LEU A 8 -8.183 9.302 -8.727 1.00 0.00 C ATOM 0 H LEU A 8 -5.844 9.491 -7.330 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.210 11.803 -5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.558 11.550 -6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.466 11.435 -7.759 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.995 8.802 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.377 8.671 -7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.113 9.794 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.392 10.428 -7.571 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.649 8.354 -8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.605 10.101 -9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.109 9.241 -8.902 1.00 0.00 H new ATOM 115 N LYS A 9 -6.954 8.907 -4.410 1.00 0.00 N ATOM 116 CA LYS A 9 -7.355 8.269 -3.174 1.00 0.00 C ATOM 117 C LYS A 9 -6.281 8.442 -2.103 1.00 0.00 C ATOM 118 O LYS A 9 -6.529 8.201 -0.925 1.00 0.00 O ATOM 119 CB LYS A 9 -7.653 6.793 -3.411 1.00 0.00 C ATOM 120 CG LYS A 9 -8.840 6.564 -4.328 1.00 0.00 C ATOM 121 CD LYS A 9 -9.321 5.120 -4.291 1.00 0.00 C ATOM 122 CE LYS A 9 -10.516 4.927 -5.207 1.00 0.00 C ATOM 123 NZ LYS A 9 -11.200 3.625 -4.975 1.00 0.00 N ATOM 0 H LYS A 9 -6.593 8.272 -5.122 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.266 8.750 -2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.772 6.315 -3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.843 6.309 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.656 7.225 -4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.565 6.828 -5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.513 4.455 -4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.591 4.848 -3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.225 5.740 -5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.188 4.983 -6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.661 3.313 -5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.501 2.914 -4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.916 3.737 -4.230 1.00 0.00 H new ATOM 137 N LYS A 10 -5.098 8.889 -2.520 1.00 0.00 N ATOM 138 CA LYS A 10 -3.991 9.133 -1.597 1.00 0.00 C ATOM 139 C LYS A 10 -4.208 10.483 -0.949 1.00 0.00 C ATOM 140 O LYS A 10 -3.778 10.746 0.172 1.00 0.00 O ATOM 141 CB LYS A 10 -2.656 9.131 -2.344 1.00 0.00 C ATOM 142 CG LYS A 10 -1.521 8.454 -1.588 1.00 0.00 C ATOM 143 CD LYS A 10 -1.725 6.945 -1.535 1.00 0.00 C ATOM 144 CE LYS A 10 -0.567 6.224 -0.853 1.00 0.00 C ATOM 145 NZ LYS A 10 -0.417 6.627 0.572 1.00 0.00 N ATOM 0 H LYS A 10 -4.881 9.090 -3.496 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.961 8.345 -0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.789 8.630 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.371 10.161 -2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.571 8.679 -2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.465 8.853 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.650 6.725 -1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.842 6.561 -2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.727 5.147 -0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.358 6.437 -1.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.171 5.794 1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.337 7.339 0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.312 7.030 0.915 1.00 0.00 H new ATOM 159 N VAL A 11 -4.909 11.328 -1.680 1.00 0.00 N ATOM 160 CA VAL A 11 -5.242 12.658 -1.229 1.00 0.00 C ATOM 161 C VAL A 11 -6.523 12.587 -0.405 1.00 0.00 C ATOM 162 O VAL A 11 -6.791 13.426 0.457 1.00 0.00 O ATOM 163 CB VAL A 11 -5.417 13.587 -2.459 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.874 13.867 -2.783 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.662 14.881 -2.277 1.00 0.00 C ATOM 0 H VAL A 11 -5.264 11.106 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.446 13.065 -0.606 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.997 13.049 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.934 14.522 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.385 12.929 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.350 14.351 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.804 15.511 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.036 15.399 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.600 14.668 -2.150 1.00 0.00 H new ATOM 175 N ALA A 12 -7.314 11.563 -0.709 1.00 0.00 N ATOM 176 CA ALA A 12 -8.591 11.341 -0.045 1.00 0.00 C ATOM 177 C ALA A 12 -8.478 10.498 1.228 1.00 0.00 C ATOM 178 O ALA A 12 -9.322 10.626 2.110 1.00 0.00 O ATOM 179 CB ALA A 12 -9.577 10.703 -1.010 1.00 0.00 C ATOM 0 H ALA A 12 -7.088 10.867 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.953 12.321 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.529 10.541 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.728 11.362 -1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.182 9.747 -1.355 1.00 0.00 H new ATOM 185 N CYS A 13 -7.460 9.635 1.349 1.00 0.00 N ATOM 186 CA CYS A 13 -7.339 8.818 2.563 1.00 0.00 C ATOM 187 C CYS A 13 -7.035 9.684 3.759 1.00 0.00 C ATOM 188 O CYS A 13 -7.517 9.417 4.848 1.00 0.00 O ATOM 189 CB CYS A 13 -6.279 7.712 2.462 1.00 0.00 C ATOM 190 SG CYS A 13 -4.787 8.164 1.521 1.00 0.00 S ATOM 0 H CYS A 13 -6.733 9.487 0.649 1.00 0.00 H new ATOM 0 HA CYS A 13 -8.305 8.328 2.681 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.981 7.421 3.469 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.732 6.836 1.998 1.00 0.00 H new ATOM 195 N ALA A 14 -6.251 10.729 3.546 1.00 0.00 N ATOM 196 CA ALA A 14 -5.899 11.639 4.618 1.00 0.00 C ATOM 197 C ALA A 14 -7.131 12.384 5.099 1.00 0.00 C ATOM 198 O ALA A 14 -7.248 12.710 6.271 1.00 0.00 O ATOM 199 CB ALA A 14 -4.829 12.613 4.157 1.00 0.00 C ATOM 0 H ALA A 14 -5.848 10.966 2.640 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.498 11.061 5.450 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.576 13.289 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.939 12.060 3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.202 13.190 3.311 1.00 0.00 H new ATOM 205 N ALA A 15 -8.058 12.635 4.185 1.00 0.00 N ATOM 206 CA ALA A 15 -9.297 13.323 4.516 1.00 0.00 C ATOM 207 C ALA A 15 -10.288 12.344 5.128 1.00 0.00 C ATOM 208 O ALA A 15 -11.187 12.721 5.882 1.00 0.00 O ATOM 209 CB ALA A 15 -9.892 13.957 3.272 1.00 0.00 C ATOM 0 H ALA A 15 -7.974 12.371 3.203 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.081 14.108 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.819 14.469 3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.185 14.675 2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.100 13.183 2.533 1.00 0.00 H new ATOM 215 N ALA A 16 -10.118 11.080 4.771 1.00 0.00 N ATOM 216 CA ALA A 16 -10.984 10.014 5.245 1.00 0.00 C ATOM 217 C ALA A 16 -10.616 9.567 6.654 1.00 0.00 C ATOM 218 O ALA A 16 -11.476 9.515 7.535 1.00 0.00 O ATOM 219 CB ALA A 16 -10.944 8.837 4.282 1.00 0.00 C ATOM 0 H ALA A 16 -9.376 10.766 4.145 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.000 10.406 5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.597 8.045 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.283 9.160 3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.923 8.461 4.209 1.00 0.00 H new ATOM 225 N ILE A 17 -9.350 9.225 6.871 1.00 0.00 N ATOM 226 CA ILE A 17 -8.929 8.770 8.178 1.00 0.00 C ATOM 227 C ILE A 17 -8.817 9.911 9.191 1.00 0.00 C ATOM 228 O ILE A 17 -9.004 9.695 10.389 1.00 0.00 O ATOM 229 CB ILE A 17 -7.634 7.915 8.122 1.00 0.00 C ATOM 230 CG1 ILE A 17 -7.209 7.553 9.514 1.00 0.00 C ATOM 231 CG2 ILE A 17 -6.459 8.584 7.451 1.00 0.00 C ATOM 232 CD1 ILE A 17 -6.174 8.500 10.090 1.00 0.00 C ATOM 0 H ILE A 17 -8.613 9.255 6.167 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.722 8.114 8.535 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.898 7.045 7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.085 7.544 10.163 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.804 6.541 9.511 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.602 7.910 7.461 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.718 8.827 6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.207 9.499 7.987 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.910 8.181 11.098 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.283 8.491 9.462 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.584 9.510 10.124 1.00 0.00 H new ATOM 244 N ALA A 18 -8.536 11.116 8.721 1.00 0.00 N ATOM 245 CA ALA A 18 -8.431 12.278 9.614 1.00 0.00 C ATOM 246 C ALA A 18 -9.680 12.409 10.479 1.00 0.00 C ATOM 247 O ALA A 18 -9.601 12.778 11.648 1.00 0.00 O ATOM 248 CB ALA A 18 -8.219 13.561 8.833 1.00 0.00 C ATOM 0 H ALA A 18 -8.376 11.323 7.735 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.565 12.115 10.255 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.146 14.400 9.525 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.299 13.487 8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.060 13.719 8.158 1.00 0.00 H new ATOM 254 N GLY A 19 -10.831 12.076 9.902 1.00 0.00 N ATOM 255 CA GLY A 19 -12.075 12.136 10.645 1.00 0.00 C ATOM 256 C GLY A 19 -12.177 11.003 11.647 1.00 0.00 C ATOM 257 O GLY A 19 -12.863 11.118 12.663 1.00 0.00 O ATOM 0 H GLY A 19 -10.923 11.766 8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.144 13.091 11.166 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.916 12.089 9.953 1.00 0.00 H new ATOM 261 N ALA A 20 -11.477 9.905 11.362 1.00 0.00 N ATOM 262 CA ALA A 20 -11.474 8.748 12.242 1.00 0.00 C ATOM 263 C ALA A 20 -10.550 8.953 13.424 1.00 0.00 C ATOM 264 O ALA A 20 -10.840 8.490 14.526 1.00 0.00 O ATOM 265 CB ALA A 20 -11.073 7.496 11.492 1.00 0.00 C ATOM 0 H ALA A 20 -10.905 9.797 10.525 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.491 8.627 12.615 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.079 6.646 12.174 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.779 7.316 10.681 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.072 7.624 11.080 1.00 0.00 H new ATOM 271 N VAL A 21 -9.441 9.651 13.218 1.00 0.00 N ATOM 272 CA VAL A 21 -8.531 9.903 14.327 1.00 0.00 C ATOM 273 C VAL A 21 -9.175 10.900 15.246 1.00 0.00 C ATOM 274 O VAL A 21 -9.095 10.788 16.457 1.00 0.00 O ATOM 275 CB VAL A 21 -7.148 10.423 13.915 1.00 0.00 C ATOM 276 CG1 VAL A 21 -6.458 9.460 12.978 1.00 0.00 C ATOM 277 CG2 VAL A 21 -7.201 11.819 13.323 1.00 0.00 C ATOM 0 H VAL A 21 -9.155 10.043 12.321 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.355 8.942 14.811 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.557 10.493 14.828 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.480 9.856 12.704 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.333 8.497 13.473 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.062 9.331 12.080 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.195 12.137 13.049 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.834 11.814 12.436 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.612 12.511 14.058 1.00 0.00 H new ATOM 287 N ALA A 22 -9.841 11.852 14.625 1.00 0.00 N ATOM 288 CA ALA A 22 -10.575 12.891 15.321 1.00 0.00 C ATOM 289 C ALA A 22 -11.624 12.252 16.225 1.00 0.00 C ATOM 290 O ALA A 22 -12.033 12.831 17.233 1.00 0.00 O ATOM 291 CB ALA A 22 -11.223 13.811 14.299 1.00 0.00 C ATOM 0 H ALA A 22 -9.889 11.927 13.609 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.900 13.480 15.942 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.777 14.595 14.815 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.452 14.262 13.675 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.906 13.236 13.673 1.00 0.00 H new ATOM 297 N ALA A 23 -12.029 11.026 15.865 1.00 0.00 N ATOM 298 CA ALA A 23 -12.997 10.278 16.646 1.00 0.00 C ATOM 299 C ALA A 23 -12.377 9.830 17.969 1.00 0.00 C ATOM 300 O ALA A 23 -13.085 9.612 18.950 1.00 0.00 O ATOM 301 CB ALA A 23 -13.516 9.075 15.859 1.00 0.00 C ATOM 0 H ALA A 23 -11.694 10.539 15.034 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.843 10.930 16.862 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -14.240 8.529 16.464 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.995 9.419 14.942 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.684 8.417 15.609 1.00 0.00 H new ATOM 307 N CYS A 24 -11.049 9.693 17.998 1.00 0.00 N ATOM 308 CA CYS A 24 -10.362 9.274 19.214 1.00 0.00 C ATOM 309 C CYS A 24 -9.494 10.394 19.789 1.00 0.00 C ATOM 310 O CYS A 24 -9.634 10.748 20.959 1.00 0.00 O ATOM 311 CB CYS A 24 -9.500 8.048 18.943 1.00 0.00 C ATOM 312 SG CYS A 24 -9.652 6.740 20.198 1.00 0.00 S ATOM 0 H CYS A 24 -10.437 9.865 17.201 1.00 0.00 H new ATOM 0 HA CYS A 24 -11.128 9.026 19.949 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -9.769 7.636 17.970 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.457 8.357 18.881 1.00 0.00 H new ATOM 317 N GLY A 25 -8.592 10.947 18.977 1.00 0.00 N ATOM 318 CA GLY A 25 -7.724 12.006 19.455 1.00 0.00 C ATOM 319 C GLY A 25 -6.651 12.417 18.458 1.00 0.00 C ATOM 320 O GLY A 25 -6.442 13.608 18.225 1.00 0.00 O ATOM 0 H GLY A 25 -8.450 10.680 18.003 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.331 12.877 19.701 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.244 11.681 20.378 1.00 0.00 H new ATOM 324 N GLY A 26 -5.959 11.441 17.878 1.00 0.00 N ATOM 325 CA GLY A 26 -4.898 11.740 16.929 1.00 0.00 C ATOM 326 C GLY A 26 -4.110 10.505 16.543 1.00 0.00 C ATOM 327 O GLY A 26 -3.296 10.015 17.328 1.00 0.00 O ATOM 0 H GLY A 26 -6.113 10.447 18.048 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.329 12.188 16.034 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.223 12.479 17.362 1.00 0.00 H new ATOM 331 N ILE A 27 -4.373 10.005 15.335 1.00 0.00 N ATOM 332 CA ILE A 27 -3.730 8.803 14.797 1.00 0.00 C ATOM 333 C ILE A 27 -3.634 7.690 15.850 1.00 0.00 C ATOM 334 O ILE A 27 -2.601 7.061 16.060 1.00 0.00 O ATOM 335 CB ILE A 27 -2.366 9.105 14.118 1.00 0.00 C ATOM 336 CG1 ILE A 27 -2.609 9.996 12.911 1.00 0.00 C ATOM 337 CG2 ILE A 27 -1.698 7.824 13.626 1.00 0.00 C ATOM 338 CD1 ILE A 27 -3.247 9.228 11.768 1.00 0.00 C ATOM 0 H ILE A 27 -5.046 10.427 14.695 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.377 8.430 14.003 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.719 9.587 14.850 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.254 10.827 13.196 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.664 10.425 12.579 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.746 8.068 13.156 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.525 7.156 14.470 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.345 7.332 12.900 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.405 9.898 10.923 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.590 8.412 11.466 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.205 8.821 12.093 1.00 0.00 H new ATOM 350 N ASP A 28 -4.762 7.403 16.469 1.00 0.00 N ATOM 351 CA ASP A 28 -4.849 6.318 17.411 1.00 0.00 C ATOM 352 C ASP A 28 -5.190 5.146 16.533 1.00 0.00 C ATOM 353 O ASP A 28 -6.355 4.801 16.393 1.00 0.00 O ATOM 354 CB ASP A 28 -5.955 6.582 18.428 1.00 0.00 C ATOM 355 CG ASP A 28 -5.732 7.852 19.212 1.00 0.00 C ATOM 356 OD1 ASP A 28 -4.800 7.883 20.037 1.00 0.00 O ATOM 357 OD2 ASP A 28 -6.481 8.820 18.990 1.00 0.00 O ATOM 0 H ASP A 28 -5.634 7.914 16.331 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.940 6.168 17.994 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.912 6.642 17.910 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.018 5.740 19.118 1.00 0.00 H new ATOM 362 N LEU A 29 -4.179 4.645 15.831 1.00 0.00 N ATOM 363 CA LEU A 29 -4.352 3.623 14.826 1.00 0.00 C ATOM 364 C LEU A 29 -5.375 2.517 15.146 1.00 0.00 C ATOM 365 O LEU A 29 -6.215 2.235 14.293 1.00 0.00 O ATOM 366 CB LEU A 29 -3.004 3.086 14.283 1.00 0.00 C ATOM 367 CG LEU A 29 -1.805 2.961 15.244 1.00 0.00 C ATOM 368 CD1 LEU A 29 -0.671 2.211 14.561 1.00 0.00 C ATOM 369 CD2 LEU A 29 -1.281 4.322 15.676 1.00 0.00 C ATOM 0 H LEU A 29 -3.211 4.945 15.951 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.835 4.152 14.005 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.190 2.099 13.860 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.700 3.733 13.461 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.154 2.421 16.125 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.173 2.126 15.245 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.011 1.215 14.279 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.361 2.754 13.668 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.437 4.189 16.352 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.958 4.883 14.799 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.072 4.871 16.187 1.00 0.00 H new ATOM 381 N PRO A 30 -5.384 1.886 16.338 1.00 0.00 N ATOM 382 CA PRO A 30 -6.386 0.855 16.644 1.00 0.00 C ATOM 383 C PRO A 30 -7.796 1.444 16.744 1.00 0.00 C ATOM 384 O PRO A 30 -8.794 0.750 16.542 1.00 0.00 O ATOM 385 CB PRO A 30 -5.959 0.302 18.010 1.00 0.00 C ATOM 386 CG PRO A 30 -4.589 0.843 18.261 1.00 0.00 C ATOM 387 CD PRO A 30 -4.477 2.117 17.473 1.00 0.00 C ATOM 0 HA PRO A 30 -6.427 0.096 15.862 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.652 0.614 18.792 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.954 -0.788 18.006 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.436 1.031 19.324 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.827 0.128 17.950 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.780 2.983 18.061 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.454 2.298 17.142 1.00 0.00 H new ATOM 395 N CYS A 31 -7.847 2.725 17.079 1.00 0.00 N ATOM 396 CA CYS A 31 -9.096 3.455 17.251 1.00 0.00 C ATOM 397 C CYS A 31 -9.649 3.999 15.930 1.00 0.00 C ATOM 398 O CYS A 31 -10.819 3.793 15.618 1.00 0.00 O ATOM 399 CB CYS A 31 -8.862 4.609 18.216 1.00 0.00 C ATOM 400 SG CYS A 31 -10.337 5.161 19.127 1.00 0.00 S ATOM 0 H CYS A 31 -7.015 3.293 17.241 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.836 2.758 17.645 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.099 4.312 18.936 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.461 5.455 17.657 1.00 0.00 H new ATOM 405 N VAL A 32 -8.819 4.708 15.152 1.00 0.00 N ATOM 406 CA VAL A 32 -9.285 5.272 13.874 1.00 0.00 C ATOM 407 C VAL A 32 -9.671 4.145 12.932 1.00 0.00 C ATOM 408 O VAL A 32 -10.532 4.315 12.082 1.00 0.00 O ATOM 409 CB VAL A 32 -8.241 6.212 13.185 1.00 0.00 C ATOM 410 CG1 VAL A 32 -7.160 6.605 14.168 1.00 0.00 C ATOM 411 CG2 VAL A 32 -7.670 5.614 11.911 1.00 0.00 C ATOM 0 H VAL A 32 -7.843 4.903 15.376 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.150 5.894 14.103 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.763 7.118 12.875 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.440 7.259 13.675 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.609 7.129 15.012 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.651 5.710 14.526 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.951 6.307 11.474 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.172 4.673 12.142 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.477 5.432 11.201 1.00 0.00 H new ATOM 421 N LEU A 33 -9.044 2.984 13.105 1.00 0.00 N ATOM 422 CA LEU A 33 -9.334 1.831 12.274 1.00 0.00 C ATOM 423 C LEU A 33 -10.752 1.310 12.514 1.00 0.00 C ATOM 424 O LEU A 33 -11.185 0.373 11.860 1.00 0.00 O ATOM 425 CB LEU A 33 -8.323 0.724 12.537 1.00 0.00 C ATOM 426 CG LEU A 33 -8.192 -0.298 11.415 1.00 0.00 C ATOM 427 CD1 LEU A 33 -7.124 0.136 10.417 1.00 0.00 C ATOM 428 CD2 LEU A 33 -7.889 -1.657 11.998 1.00 0.00 C ATOM 0 H LEU A 33 -8.331 2.822 13.816 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.261 2.146 11.233 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.347 1.176 12.714 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.604 0.204 13.453 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.136 -0.362 10.873 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.045 -0.606 9.623 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.398 1.099 9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.165 0.226 10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.796 -2.386 11.193 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.954 -1.613 12.557 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.698 -1.955 12.665 1.00 0.00 H new ATOM 440 N ALA A 34 -11.480 1.927 13.434 1.00 0.00 N ATOM 441 CA ALA A 34 -12.850 1.524 13.703 1.00 0.00 C ATOM 442 C ALA A 34 -13.782 2.305 12.788 1.00 0.00 C ATOM 443 O ALA A 34 -14.590 1.731 12.062 1.00 0.00 O ATOM 444 CB ALA A 34 -13.212 1.753 15.161 1.00 0.00 C ATOM 0 H ALA A 34 -11.146 2.705 14.003 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.954 0.457 13.507 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.243 1.443 15.333 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.546 1.170 15.797 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.107 2.811 15.400 1.00 0.00 H new ATOM 450 N ALA A 35 -13.634 3.626 12.813 1.00 0.00 N ATOM 451 CA ALA A 35 -14.435 4.508 11.975 1.00 0.00 C ATOM 452 C ALA A 35 -13.907 4.519 10.549 1.00 0.00 C ATOM 453 O ALA A 35 -14.676 4.511 9.590 1.00 0.00 O ATOM 454 CB ALA A 35 -14.431 5.918 12.538 1.00 0.00 C ATOM 0 H ALA A 35 -12.962 4.110 13.409 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.458 4.132 11.965 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -15.034 6.566 11.901 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.848 5.909 13.545 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.408 6.293 12.573 1.00 0.00 H new ATOM 460 N LEU A 36 -12.584 4.531 10.412 1.00 0.00 N ATOM 461 CA LEU A 36 -11.955 4.538 9.103 1.00 0.00 C ATOM 462 C LEU A 36 -12.148 3.220 8.390 1.00 0.00 C ATOM 463 O LEU A 36 -11.982 3.124 7.178 1.00 0.00 O ATOM 464 CB LEU A 36 -10.452 4.780 9.197 1.00 0.00 C ATOM 465 CG LEU A 36 -9.754 4.566 7.868 1.00 0.00 C ATOM 466 CD1 LEU A 36 -10.103 5.678 6.936 1.00 0.00 C ATOM 467 CD2 LEU A 36 -8.268 4.429 8.007 1.00 0.00 C ATOM 0 H LEU A 36 -11.930 4.536 11.195 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.433 5.347 8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.270 5.798 9.541 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.024 4.110 9.943 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.108 3.620 7.458 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.601 5.523 5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.182 5.697 6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.782 6.627 7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.823 4.278 7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.859 5.335 8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.039 3.574 8.644 1.00 0.00 H new ATOM 479 N LYS A 37 -12.452 2.179 9.124 1.00 0.00 N ATOM 480 CA LYS A 37 -12.596 0.892 8.484 1.00 0.00 C ATOM 481 C LYS A 37 -13.819 0.884 7.576 1.00 0.00 C ATOM 482 O LYS A 37 -13.952 0.030 6.696 1.00 0.00 O ATOM 483 CB LYS A 37 -12.665 -0.237 9.509 1.00 0.00 C ATOM 484 CG LYS A 37 -11.975 -1.522 9.062 1.00 0.00 C ATOM 485 CD LYS A 37 -11.566 -2.382 10.247 1.00 0.00 C ATOM 486 CE LYS A 37 -12.770 -2.886 11.028 1.00 0.00 C ATOM 487 NZ LYS A 37 -13.651 -3.763 10.200 1.00 0.00 N ATOM 0 H LYS A 37 -12.601 2.191 10.133 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.711 0.719 7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.211 0.103 10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.711 -0.454 9.725 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.645 -2.089 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.094 -1.275 8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.982 -3.232 9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.921 -1.804 10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.428 -3.439 11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.346 -2.036 11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.327 -4.257 10.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.171 -3.182 9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.069 -4.461 9.695 1.00 0.00 H new ATOM 501 N ALA A 38 -14.685 1.875 7.765 1.00 0.00 N ATOM 502 CA ALA A 38 -15.873 2.025 6.945 1.00 0.00 C ATOM 503 C ALA A 38 -15.501 2.666 5.614 1.00 0.00 C ATOM 504 O ALA A 38 -16.325 2.757 4.704 1.00 0.00 O ATOM 505 CB ALA A 38 -16.905 2.871 7.665 1.00 0.00 C ATOM 0 H ALA A 38 -14.581 2.589 8.486 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.303 1.041 6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.791 2.975 7.039 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.179 2.390 8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.488 3.857 7.871 1.00 0.00 H new ATOM 511 N ALA A 39 -14.241 3.096 5.512 1.00 0.00 N ATOM 512 CA ALA A 39 -13.726 3.715 4.298 1.00 0.00 C ATOM 513 C ALA A 39 -13.754 2.719 3.154 1.00 0.00 C ATOM 514 O ALA A 39 -14.049 1.537 3.353 1.00 0.00 O ATOM 515 CB ALA A 39 -12.296 4.229 4.510 1.00 0.00 C ATOM 0 H ALA A 39 -13.557 3.024 6.265 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.363 4.564 4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.934 4.687 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.290 4.969 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.647 3.397 4.781 1.00 0.00 H new ATOM 521 N GLU A 40 -13.421 3.182 1.961 1.00 0.00 N ATOM 522 CA GLU A 40 -13.388 2.317 0.791 1.00 0.00 C ATOM 523 C GLU A 40 -12.105 1.486 0.809 1.00 0.00 C ATOM 524 O GLU A 40 -11.409 1.351 -0.200 1.00 0.00 O ATOM 525 CB GLU A 40 -13.473 3.168 -0.479 1.00 0.00 C ATOM 526 CG GLU A 40 -13.796 2.381 -1.735 1.00 0.00 C ATOM 527 CD GLU A 40 -14.016 3.278 -2.925 1.00 0.00 C ATOM 528 OE1 GLU A 40 -13.130 4.103 -3.216 1.00 0.00 O ATOM 529 OE2 GLU A 40 -15.070 3.152 -3.571 1.00 0.00 O ATOM 0 H GLU A 40 -13.169 4.153 1.776 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.240 1.638 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.235 3.935 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.523 3.684 -0.621 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.981 1.690 -1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.689 1.779 -1.565 1.00 0.00 H new ATOM 536 N GLY A 41 -11.793 0.946 1.983 1.00 0.00 N ATOM 537 CA GLY A 41 -10.601 0.157 2.154 1.00 0.00 C ATOM 538 C GLY A 41 -9.361 0.982 1.930 1.00 0.00 C ATOM 539 O GLY A 41 -8.454 0.557 1.231 1.00 0.00 O ATOM 0 H GLY A 41 -12.358 1.047 2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.583 -0.265 3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.614 -0.681 1.457 1.00 0.00 H new ATOM 543 N CYS A 42 -9.288 2.158 2.541 1.00 0.00 N ATOM 544 CA CYS A 42 -8.116 2.978 2.375 1.00 0.00 C ATOM 545 C CYS A 42 -7.437 3.118 3.707 1.00 0.00 C ATOM 546 O CYS A 42 -6.579 3.976 3.901 1.00 0.00 O ATOM 547 CB CYS A 42 -8.440 4.342 1.779 1.00 0.00 C ATOM 548 SG CYS A 42 -7.763 4.602 0.102 1.00 0.00 S ATOM 0 H CYS A 42 -10.014 2.550 3.141 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.448 2.491 1.665 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.523 4.464 1.745 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.052 5.117 2.440 1.00 0.00 H new ATOM 553 N ALA A 43 -7.808 2.224 4.615 1.00 0.00 N ATOM 554 CA ALA A 43 -7.212 2.181 5.928 1.00 0.00 C ATOM 555 C ALA A 43 -5.758 1.810 5.767 1.00 0.00 C ATOM 556 O ALA A 43 -4.913 2.150 6.586 1.00 0.00 O ATOM 557 CB ALA A 43 -7.927 1.179 6.803 1.00 0.00 C ATOM 0 H ALA A 43 -8.526 1.517 4.456 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.297 3.154 6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.463 1.161 7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.975 1.463 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.860 0.189 6.352 1.00 0.00 H new ATOM 563 N SER A 44 -5.478 1.129 4.665 1.00 0.00 N ATOM 564 CA SER A 44 -4.132 0.733 4.330 1.00 0.00 C ATOM 565 C SER A 44 -3.300 1.985 4.060 1.00 0.00 C ATOM 566 O SER A 44 -2.104 1.985 4.269 1.00 0.00 O ATOM 567 CB SER A 44 -4.150 -0.196 3.112 1.00 0.00 C ATOM 568 OG SER A 44 -2.860 -0.715 2.830 1.00 0.00 O ATOM 0 H SER A 44 -6.180 0.840 3.984 1.00 0.00 H new ATOM 0 HA SER A 44 -3.683 0.186 5.159 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.842 -1.019 3.292 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.521 0.349 2.244 1.00 0.00 H new ATOM 0 HG SER A 44 -2.908 -1.304 2.049 1.00 0.00 H new ATOM 574 N CYS A 45 -3.967 3.076 3.656 1.00 0.00 N ATOM 575 CA CYS A 45 -3.282 4.360 3.426 1.00 0.00 C ATOM 576 C CYS A 45 -2.879 4.920 4.774 1.00 0.00 C ATOM 577 O CYS A 45 -1.873 5.609 4.929 1.00 0.00 O ATOM 578 CB CYS A 45 -4.200 5.388 2.753 1.00 0.00 C ATOM 579 SG CYS A 45 -3.332 6.872 2.133 1.00 0.00 S ATOM 0 H CYS A 45 -4.972 3.097 3.482 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.427 4.179 2.775 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.716 4.908 1.921 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.964 5.699 3.466 1.00 0.00 H new ATOM 584 N PHE A 46 -3.725 4.605 5.738 1.00 0.00 N ATOM 585 CA PHE A 46 -3.574 5.034 7.106 1.00 0.00 C ATOM 586 C PHE A 46 -2.365 4.381 7.783 1.00 0.00 C ATOM 587 O PHE A 46 -1.422 5.079 8.148 1.00 0.00 O ATOM 588 CB PHE A 46 -4.886 4.727 7.840 1.00 0.00 C ATOM 589 CG PHE A 46 -4.792 4.664 9.321 1.00 0.00 C ATOM 590 CD1 PHE A 46 -4.727 5.804 10.096 1.00 0.00 C ATOM 591 CD2 PHE A 46 -4.767 3.440 9.947 1.00 0.00 C ATOM 592 CE1 PHE A 46 -4.639 5.729 11.428 1.00 0.00 C ATOM 593 CE2 PHE A 46 -4.686 3.358 11.294 1.00 0.00 C ATOM 594 CZ PHE A 46 -4.620 4.496 12.044 1.00 0.00 C ATOM 0 H PHE A 46 -4.553 4.030 5.582 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.376 6.105 7.139 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.618 5.489 7.572 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.270 3.774 7.477 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.748 6.773 9.619 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.812 2.536 9.357 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.583 6.631 12.019 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.674 2.392 11.776 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.553 4.431 13.120 1.00 0.00 H new ATOM 604 N CYS A 47 -2.383 3.062 7.996 1.00 0.00 N ATOM 605 CA CYS A 47 -1.249 2.437 8.691 1.00 0.00 C ATOM 606 C CYS A 47 -0.124 1.934 7.775 1.00 0.00 C ATOM 607 O CYS A 47 0.783 1.270 8.258 1.00 0.00 O ATOM 608 CB CYS A 47 -1.712 1.321 9.644 1.00 0.00 C ATOM 609 SG CYS A 47 -1.744 -0.369 8.956 1.00 0.00 S ATOM 0 H CYS A 47 -3.131 2.429 7.714 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.810 3.248 9.273 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.058 1.323 10.516 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.714 1.566 9.996 1.00 0.00 H new ATOM 614 N GLU A 48 -0.123 2.261 6.480 1.00 0.00 N ATOM 615 CA GLU A 48 0.977 1.810 5.618 1.00 0.00 C ATOM 616 C GLU A 48 2.297 2.405 6.106 1.00 0.00 C ATOM 617 O GLU A 48 3.339 1.746 6.086 1.00 0.00 O ATOM 618 CB GLU A 48 0.734 2.175 4.150 1.00 0.00 C ATOM 619 CG GLU A 48 0.611 3.662 3.870 1.00 0.00 C ATOM 620 CD GLU A 48 0.411 3.942 2.401 1.00 0.00 C ATOM 621 OE1 GLU A 48 1.308 3.604 1.605 1.00 0.00 O ATOM 622 OE2 GLU A 48 -0.643 4.498 2.043 1.00 0.00 O ATOM 0 H GLU A 48 -0.842 2.816 6.016 1.00 0.00 H new ATOM 0 HA GLU A 48 1.028 0.723 5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.552 1.774 3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.178 1.681 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.227 4.070 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.509 4.173 4.218 1.00 0.00 H new ATOM 629 N ASP A 49 2.227 3.648 6.581 1.00 0.00 N ATOM 630 CA ASP A 49 3.394 4.338 7.117 1.00 0.00 C ATOM 631 C ASP A 49 3.594 3.942 8.571 1.00 0.00 C ATOM 632 O ASP A 49 4.672 4.115 9.139 1.00 0.00 O ATOM 633 CB ASP A 49 3.214 5.857 7.036 1.00 0.00 C ATOM 634 CG ASP A 49 2.973 6.347 5.631 1.00 0.00 C ATOM 635 OD1 ASP A 49 3.821 6.085 4.755 1.00 0.00 O ATOM 636 OD2 ASP A 49 1.944 7.011 5.404 1.00 0.00 O ATOM 0 H ASP A 49 1.368 4.198 6.604 1.00 0.00 H new ATOM 0 HA ASP A 49 4.263 4.053 6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.375 6.152 7.667 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.102 6.345 7.438 1.00 0.00 H new ATOM 641 N HIS A 50 2.528 3.421 9.166 1.00 0.00 N ATOM 642 CA HIS A 50 2.538 2.995 10.562 1.00 0.00 C ATOM 643 C HIS A 50 2.566 1.479 10.613 1.00 0.00 C ATOM 644 O HIS A 50 1.898 0.869 11.447 1.00 0.00 O ATOM 645 CB HIS A 50 1.280 3.478 11.312 1.00 0.00 C ATOM 646 CG HIS A 50 0.783 4.845 10.939 1.00 0.00 C ATOM 647 ND1 HIS A 50 -0.453 5.321 11.330 1.00 0.00 N ATOM 648 CD2 HIS A 50 1.347 5.835 10.207 1.00 0.00 C ATOM 649 CE1 HIS A 50 -0.626 6.537 10.851 1.00 0.00 C ATOM 650 NE2 HIS A 50 0.452 6.875 10.167 1.00 0.00 N ATOM 0 H HIS A 50 1.633 3.282 8.696 1.00 0.00 H new ATOM 0 HA HIS A 50 3.418 3.426 11.040 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.478 2.760 11.138 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.491 3.468 12.381 1.00 0.00 H new ATOM 0 HD2 HIS A 50 2.321 5.811 9.741 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.502 7.153 10.994 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.596 7.764 9.687 1.00 0.00 H new ATOM 659 N CYS A 51 3.301 0.881 9.689 1.00 0.00 N ATOM 660 CA CYS A 51 3.383 -0.576 9.594 1.00 0.00 C ATOM 661 C CYS A 51 4.194 -1.164 10.742 1.00 0.00 C ATOM 662 O CYS A 51 5.374 -1.486 10.592 1.00 0.00 O ATOM 663 CB CYS A 51 3.977 -0.997 8.247 1.00 0.00 C ATOM 664 SG CYS A 51 3.925 -2.797 7.921 1.00 0.00 S ATOM 0 H CYS A 51 3.852 1.380 8.990 1.00 0.00 H new ATOM 0 HA CYS A 51 2.369 -0.970 9.666 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.440 -0.481 7.451 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.013 -0.663 8.201 1.00 0.00 H new ATOM 669 N HIS A 52 3.542 -1.302 11.890 1.00 0.00 N ATOM 670 CA HIS A 52 4.165 -1.856 13.080 1.00 0.00 C ATOM 671 C HIS A 52 3.111 -2.522 13.954 1.00 0.00 C ATOM 672 O HIS A 52 2.064 -2.919 13.441 1.00 0.00 O ATOM 673 CB HIS A 52 4.932 -0.766 13.855 1.00 0.00 C ATOM 674 CG HIS A 52 4.107 0.414 14.295 1.00 0.00 C ATOM 675 ND1 HIS A 52 3.158 0.352 15.297 1.00 0.00 N ATOM 676 CD2 HIS A 52 4.106 1.698 13.862 1.00 0.00 C ATOM 677 CE1 HIS A 52 2.611 1.544 15.457 1.00 0.00 C ATOM 678 NE2 HIS A 52 3.169 2.378 14.600 1.00 0.00 N ATOM 0 H HIS A 52 2.567 -1.032 12.020 1.00 0.00 H new ATOM 0 HA HIS A 52 4.890 -2.613 12.780 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.384 -1.221 14.736 1.00 0.00 H new ATOM 0 HB3 HIS A 52 5.748 -0.404 13.229 1.00 0.00 H new ATOM 0 HD2 HIS A 52 4.727 2.110 13.081 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.838 1.794 16.169 1.00 0.00 H new ATOM 0 HE2 HIS A 52 2.941 3.367 14.502 1.00 0.00 H new ATOM 687 N GLY A 53 3.417 -2.632 15.257 1.00 0.00 N ATOM 688 CA GLY A 53 2.531 -3.248 16.252 1.00 0.00 C ATOM 689 C GLY A 53 1.081 -3.347 15.851 1.00 0.00 C ATOM 690 O GLY A 53 0.595 -4.427 15.509 1.00 0.00 O ATOM 0 H GLY A 53 4.295 -2.292 15.650 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.899 -4.250 16.471 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.597 -2.675 17.177 1.00 0.00 H new ATOM 694 N VAL A 54 0.376 -2.233 15.873 1.00 0.00 N ATOM 695 CA VAL A 54 -0.977 -2.233 15.506 1.00 0.00 C ATOM 696 C VAL A 54 -1.084 -1.618 14.083 1.00 0.00 C ATOM 697 O VAL A 54 -1.082 -0.430 13.795 1.00 0.00 O ATOM 698 CB VAL A 54 -1.813 -1.540 16.596 1.00 0.00 C ATOM 699 CG1 VAL A 54 -2.159 -0.201 16.138 1.00 0.00 C ATOM 700 CG2 VAL A 54 -3.058 -2.325 16.968 1.00 0.00 C ATOM 0 H VAL A 54 0.745 -1.323 16.147 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.396 -3.237 15.441 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.213 -1.483 17.504 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.752 0.303 16.901 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.247 0.367 15.953 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.737 -0.270 15.216 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.609 -1.789 17.741 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.690 -2.443 16.088 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.770 -3.307 17.343 1.00 0.00 H new ATOM 710 N CYS A 55 -1.079 -2.518 13.213 1.00 0.00 N ATOM 711 CA CYS A 55 -1.118 -2.334 11.771 1.00 0.00 C ATOM 712 C CYS A 55 -1.025 -3.745 11.308 1.00 0.00 C ATOM 713 O CYS A 55 -1.618 -4.174 10.324 1.00 0.00 O ATOM 714 CB CYS A 55 0.031 -1.465 11.255 1.00 0.00 C ATOM 715 SG CYS A 55 0.046 -1.208 9.446 1.00 0.00 S ATOM 0 H CYS A 55 -1.045 -3.504 13.471 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.999 -1.802 11.411 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.019 -0.493 11.745 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.975 -1.923 11.550 1.00 0.00 H new ATOM 720 N LYS A 56 -0.367 -4.476 12.198 1.00 0.00 N ATOM 721 CA LYS A 56 -0.242 -5.909 12.120 1.00 0.00 C ATOM 722 C LYS A 56 -1.435 -6.439 12.905 1.00 0.00 C ATOM 723 O LYS A 56 -2.031 -7.461 12.570 1.00 0.00 O ATOM 724 CB LYS A 56 1.085 -6.370 12.740 1.00 0.00 C ATOM 725 CG LYS A 56 1.315 -7.878 12.729 1.00 0.00 C ATOM 726 CD LYS A 56 1.537 -8.433 11.327 1.00 0.00 C ATOM 727 CE LYS A 56 0.236 -8.895 10.680 1.00 0.00 C ATOM 728 NZ LYS A 56 0.474 -9.680 9.440 1.00 0.00 N ATOM 0 H LYS A 56 0.102 -4.072 13.009 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.236 -6.275 11.093 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.904 -5.889 12.205 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.128 -6.019 13.771 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.180 -8.113 13.349 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.456 -8.375 13.179 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.999 -7.668 10.704 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.234 -9.269 11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.326 -9.502 11.390 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.380 -8.027 10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.438 -9.973 9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.987 -9.094 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.039 -10.523 9.666 1.00 0.00 H new ATOM 742 N ASP A 57 -1.816 -5.653 13.928 1.00 0.00 N ATOM 743 CA ASP A 57 -2.977 -5.949 14.756 1.00 0.00 C ATOM 744 C ASP A 57 -4.185 -5.310 14.098 1.00 0.00 C ATOM 745 O ASP A 57 -5.312 -5.793 14.196 1.00 0.00 O ATOM 746 CB ASP A 57 -2.802 -5.365 16.151 1.00 0.00 C ATOM 747 CG ASP A 57 -3.223 -6.328 17.233 1.00 0.00 C ATOM 748 OD1 ASP A 57 -2.722 -7.468 17.243 1.00 0.00 O ATOM 749 OD2 ASP A 57 -4.056 -5.942 18.074 1.00 0.00 O ATOM 0 H ASP A 57 -1.324 -4.801 14.195 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.101 -7.028 14.848 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.758 -5.090 16.299 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.387 -4.449 16.235 1.00 0.00 H new ATOM 754 N LEU A 58 -3.896 -4.218 13.389 1.00 0.00 N ATOM 755 CA LEU A 58 -4.870 -3.459 12.638 1.00 0.00 C ATOM 756 C LEU A 58 -5.333 -4.314 11.448 1.00 0.00 C ATOM 757 O LEU A 58 -6.355 -4.050 10.819 1.00 0.00 O ATOM 758 CB LEU A 58 -4.164 -2.178 12.176 1.00 0.00 C ATOM 759 CG LEU A 58 -4.663 -0.835 12.714 1.00 0.00 C ATOM 760 CD1 LEU A 58 -4.548 -0.781 14.213 1.00 0.00 C ATOM 761 CD2 LEU A 58 -3.864 0.290 12.100 1.00 0.00 C ATOM 0 H LEU A 58 -2.952 -3.836 13.326 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.750 -3.199 13.226 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.109 -2.268 12.436 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.222 -2.141 11.088 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.714 -0.726 12.445 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.909 0.183 14.571 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.147 -1.579 14.653 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.505 -0.908 14.503 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.223 1.244 12.486 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.811 0.169 12.354 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.981 0.270 11.016 1.00 0.00 H new ATOM 773 N HIS A 59 -4.542 -5.363 11.187 1.00 0.00 N ATOM 774 CA HIS A 59 -4.781 -6.343 10.129 1.00 0.00 C ATOM 775 C HIS A 59 -4.641 -5.741 8.742 1.00 0.00 C ATOM 776 O HIS A 59 -5.404 -6.070 7.831 1.00 0.00 O ATOM 777 CB HIS A 59 -6.151 -7.007 10.292 1.00 0.00 C ATOM 778 CG HIS A 59 -6.082 -8.504 10.309 1.00 0.00 C ATOM 779 ND1 HIS A 59 -5.343 -9.218 11.234 1.00 0.00 N ATOM 780 CD2 HIS A 59 -6.658 -9.425 9.501 1.00 0.00 C ATOM 781 CE1 HIS A 59 -5.467 -10.513 10.988 1.00 0.00 C ATOM 782 NE2 HIS A 59 -6.262 -10.664 9.944 1.00 0.00 N ATOM 0 H HIS A 59 -3.696 -5.555 11.723 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.010 -7.107 10.229 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -6.608 -6.660 11.219 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.801 -6.689 9.477 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.309 -9.223 8.663 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -4.998 -11.310 11.546 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -6.537 -11.556 9.533 1.00 0.00 H new ATOM 791 N LEU A 60 -3.649 -4.880 8.566 1.00 0.00 N ATOM 792 CA LEU A 60 -3.415 -4.265 7.270 1.00 0.00 C ATOM 793 C LEU A 60 -2.107 -4.770 6.668 1.00 0.00 C ATOM 794 O LEU A 60 -2.103 -5.315 5.563 1.00 0.00 O ATOM 795 CB LEU A 60 -3.397 -2.737 7.373 1.00 0.00 C ATOM 796 CG LEU A 60 -4.599 -2.101 8.085 1.00 0.00 C ATOM 797 CD1 LEU A 60 -4.680 -0.628 7.774 1.00 0.00 C ATOM 798 CD2 LEU A 60 -5.896 -2.784 7.697 1.00 0.00 C ATOM 0 H LEU A 60 -2.999 -4.594 9.298 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.238 -4.548 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.489 -2.438 7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.335 -2.325 6.366 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.453 -2.231 9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.538 -0.194 8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.768 -0.134 8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.792 -0.489 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.727 -2.310 8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.046 -2.696 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.849 -3.838 7.972 1.00 0.00 H new ATOM 810 N CYS A 61 -1.005 -4.606 7.398 1.00 0.00 N ATOM 811 CA CYS A 61 0.296 -5.067 6.924 1.00 0.00 C ATOM 812 C CYS A 61 0.831 -6.150 7.855 1.00 0.00 C ATOM 813 O CYS A 61 1.567 -7.031 7.380 1.00 0.00 O ATOM 814 CB CYS A 61 1.298 -3.901 6.820 1.00 0.00 C ATOM 815 SG CYS A 61 2.030 -3.360 8.407 1.00 0.00 S ATOM 816 OXT CYS A 61 0.495 -6.115 9.055 1.00 0.00 O ATOM 0 H CYS A 61 -0.988 -4.160 8.315 1.00 0.00 H new ATOM 0 HA CYS A 61 0.170 -5.484 5.925 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.104 -4.195 6.148 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.794 -3.050 6.362 1.00 0.00 H new TER 821 CYS A 61