USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 392 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 4 LYS NZ :NH3+ -138:sc= 2.02 (180deg=-0.625) USER MOD Single : A 6 SER OG : rot 180:sc= 0.232 USER MOD Single : A 9 LYS NZ :NH3+ -124:sc= 0.0843 (180deg=-0.135) USER MOD Single : A 10 LYS NZ :NH3+ 167:sc= -0.0064 (180deg=-0.187) USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= -0.12 (180deg=-0.587) USER MOD Single : A 44 SER OG : rot 142:sc= 0.155 USER MOD Single : A 50 HIS : no HE2:sc= -4.27! C(o=-4.3!,f=-7.3!) USER MOD Single : A 52 HIS : no HD1:sc=-0.00654 K(o=-0.0065,f=-2.9!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= 0.573 K(o=0.57,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -5.191 0.549 -1.461 1.00 0.00 N ATOM 38 CA LYS A 4 -6.441 0.516 -2.196 1.00 0.00 C ATOM 39 C LYS A 4 -6.671 1.908 -2.772 1.00 0.00 C ATOM 40 O LYS A 4 -7.370 2.107 -3.768 1.00 0.00 O ATOM 41 CB LYS A 4 -7.562 0.130 -1.240 1.00 0.00 C ATOM 42 CG LYS A 4 -8.966 0.386 -1.772 1.00 0.00 C ATOM 43 CD LYS A 4 -9.355 -0.591 -2.872 1.00 0.00 C ATOM 44 CE LYS A 4 -10.558 -0.086 -3.656 1.00 0.00 C ATOM 45 NZ LYS A 4 -11.646 0.405 -2.768 1.00 0.00 N ATOM 0 HA LYS A 4 -6.414 -0.214 -3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.467 -0.929 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.434 0.682 -0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.681 0.311 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.026 1.404 -2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.512 -0.736 -3.548 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.584 -1.563 -2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.244 0.719 -4.321 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.941 -0.889 -4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.564 0.080 -3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.504 0.034 -1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.631 1.445 -2.743 1.00 0.00 H new ATOM 59 N CYS A 5 -6.023 2.854 -2.119 1.00 0.00 N ATOM 60 CA CYS A 5 -6.051 4.248 -2.484 1.00 0.00 C ATOM 61 C CYS A 5 -5.168 4.500 -3.703 1.00 0.00 C ATOM 62 O CYS A 5 -3.946 4.400 -3.621 1.00 0.00 O ATOM 63 CB CYS A 5 -5.545 5.058 -1.294 1.00 0.00 C ATOM 64 SG CYS A 5 -6.856 5.748 -0.218 1.00 0.00 S ATOM 0 H CYS A 5 -5.448 2.663 -1.298 1.00 0.00 H new ATOM 0 HA CYS A 5 -7.068 4.545 -2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -4.896 4.423 -0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.931 5.878 -1.666 1.00 0.00 H new ATOM 69 N SER A 6 -5.793 4.829 -4.827 1.00 0.00 N ATOM 70 CA SER A 6 -5.066 5.100 -6.062 1.00 0.00 C ATOM 71 C SER A 6 -4.305 6.428 -5.960 1.00 0.00 C ATOM 72 O SER A 6 -4.228 7.023 -4.888 1.00 0.00 O ATOM 73 CB SER A 6 -6.043 5.116 -7.249 1.00 0.00 C ATOM 74 OG SER A 6 -5.357 5.138 -8.490 1.00 0.00 O ATOM 0 H SER A 6 -6.806 4.915 -4.909 1.00 0.00 H new ATOM 0 HA SER A 6 -4.334 4.308 -6.224 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.686 4.237 -7.204 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.691 5.989 -7.176 1.00 0.00 H new ATOM 0 HG SER A 6 -6.007 5.146 -9.223 1.00 0.00 H new ATOM 80 N VAL A 7 -3.746 6.874 -7.080 1.00 0.00 N ATOM 81 CA VAL A 7 -2.982 8.121 -7.147 1.00 0.00 C ATOM 82 C VAL A 7 -3.757 9.294 -6.553 1.00 0.00 C ATOM 83 O VAL A 7 -3.295 9.965 -5.629 1.00 0.00 O ATOM 84 CB VAL A 7 -2.589 8.426 -8.615 1.00 0.00 C ATOM 85 CG1 VAL A 7 -3.785 8.332 -9.557 1.00 0.00 C ATOM 86 CG2 VAL A 7 -1.908 9.781 -8.740 1.00 0.00 C ATOM 0 H VAL A 7 -3.808 6.382 -7.971 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.079 7.989 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.874 7.660 -8.915 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.465 8.553 -10.575 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.201 7.325 -9.518 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.546 9.051 -9.252 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.646 9.962 -9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.586 10.562 -8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.003 9.791 -8.132 1.00 0.00 H new ATOM 96 N LEU A 8 -4.930 9.531 -7.099 1.00 0.00 N ATOM 97 CA LEU A 8 -5.794 10.616 -6.643 1.00 0.00 C ATOM 98 C LEU A 8 -6.395 10.294 -5.278 1.00 0.00 C ATOM 99 O LEU A 8 -6.665 11.190 -4.484 1.00 0.00 O ATOM 100 CB LEU A 8 -6.913 10.891 -7.661 1.00 0.00 C ATOM 101 CG LEU A 8 -7.989 9.798 -7.812 1.00 0.00 C ATOM 102 CD1 LEU A 8 -9.162 10.329 -8.615 1.00 0.00 C ATOM 103 CD2 LEU A 8 -7.435 8.545 -8.481 1.00 0.00 C ATOM 0 H LEU A 8 -5.317 8.984 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.181 11.513 -6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.408 11.821 -7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.454 11.055 -8.636 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.321 9.525 -6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.917 9.549 -8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.595 11.188 -8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.819 10.632 -9.604 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.225 7.799 -8.568 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.063 8.797 -9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.620 8.141 -7.880 1.00 0.00 H new ATOM 115 N LYS A 9 -6.586 9.008 -5.001 1.00 0.00 N ATOM 116 CA LYS A 9 -7.132 8.579 -3.728 1.00 0.00 C ATOM 117 C LYS A 9 -6.085 8.717 -2.624 1.00 0.00 C ATOM 118 O LYS A 9 -6.413 8.684 -1.443 1.00 0.00 O ATOM 119 CB LYS A 9 -7.628 7.138 -3.822 1.00 0.00 C ATOM 120 CG LYS A 9 -8.858 6.948 -4.701 1.00 0.00 C ATOM 121 CD LYS A 9 -10.065 7.670 -4.130 1.00 0.00 C ATOM 122 CE LYS A 9 -11.353 7.202 -4.785 1.00 0.00 C ATOM 123 NZ LYS A 9 -11.549 5.733 -4.642 1.00 0.00 N ATOM 0 H LYS A 9 -6.369 8.248 -5.645 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.978 9.219 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.822 6.514 -4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.856 6.780 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.651 7.320 -5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.079 5.885 -4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.119 7.498 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.951 8.744 -4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.198 7.726 -4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.338 7.465 -5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.668 5.305 -5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.719 5.316 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.397 5.550 -4.069 1.00 0.00 H new ATOM 137 N LYS A 10 -4.828 8.903 -3.021 1.00 0.00 N ATOM 138 CA LYS A 10 -3.735 9.091 -2.074 1.00 0.00 C ATOM 139 C LYS A 10 -3.913 10.437 -1.386 1.00 0.00 C ATOM 140 O LYS A 10 -3.404 10.684 -0.292 1.00 0.00 O ATOM 141 CB LYS A 10 -2.393 9.053 -2.810 1.00 0.00 C ATOM 142 CG LYS A 10 -1.190 9.319 -1.926 1.00 0.00 C ATOM 143 CD LYS A 10 0.096 9.362 -2.740 1.00 0.00 C ATOM 144 CE LYS A 10 0.152 10.572 -3.667 1.00 0.00 C ATOM 145 NZ LYS A 10 0.232 11.838 -2.902 1.00 0.00 N ATOM 0 H LYS A 10 -4.542 8.927 -4.000 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.746 8.292 -1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.276 8.076 -3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.410 9.791 -3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.323 10.266 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.116 8.542 -1.166 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.951 9.385 -2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.181 8.450 -3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.017 10.488 -4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.733 10.585 -4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.488 12.616 -3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.690 12.039 -2.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.954 11.750 -2.159 1.00 0.00 H new ATOM 159 N VAL A 11 -4.662 11.292 -2.054 1.00 0.00 N ATOM 160 CA VAL A 11 -4.959 12.610 -1.572 1.00 0.00 C ATOM 161 C VAL A 11 -6.234 12.569 -0.729 1.00 0.00 C ATOM 162 O VAL A 11 -6.488 13.441 0.102 1.00 0.00 O ATOM 163 CB VAL A 11 -5.126 13.546 -2.795 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.538 14.084 -2.928 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.114 14.665 -2.758 1.00 0.00 C ATOM 0 H VAL A 11 -5.083 11.080 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.153 12.985 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.939 12.944 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.599 14.734 -3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.234 13.254 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.797 14.652 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.251 15.309 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.251 15.249 -1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.108 14.246 -2.772 1.00 0.00 H new ATOM 175 N ALA A 12 -7.044 11.548 -0.989 1.00 0.00 N ATOM 176 CA ALA A 12 -8.322 11.375 -0.306 1.00 0.00 C ATOM 177 C ALA A 12 -8.245 10.515 0.957 1.00 0.00 C ATOM 178 O ALA A 12 -9.082 10.673 1.840 1.00 0.00 O ATOM 179 CB ALA A 12 -9.350 10.790 -1.264 1.00 0.00 C ATOM 0 H ALA A 12 -6.836 10.822 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.623 12.370 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.300 10.664 -0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.484 11.464 -2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.002 9.822 -1.624 1.00 0.00 H new ATOM 185 N CYS A 13 -7.268 9.604 1.062 1.00 0.00 N ATOM 186 CA CYS A 13 -7.176 8.755 2.260 1.00 0.00 C ATOM 187 C CYS A 13 -6.931 9.583 3.492 1.00 0.00 C ATOM 188 O CYS A 13 -7.350 9.207 4.578 1.00 0.00 O ATOM 189 CB CYS A 13 -6.081 7.689 2.182 1.00 0.00 C ATOM 190 SG CYS A 13 -4.508 8.262 1.470 1.00 0.00 S ATOM 0 H CYS A 13 -6.550 9.437 0.357 1.00 0.00 H new ATOM 0 HA CYS A 13 -8.139 8.247 2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.892 7.308 3.186 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.449 6.853 1.588 1.00 0.00 H new ATOM 195 N ALA A 14 -6.264 10.709 3.323 1.00 0.00 N ATOM 196 CA ALA A 14 -5.986 11.579 4.439 1.00 0.00 C ATOM 197 C ALA A 14 -7.286 12.133 4.973 1.00 0.00 C ATOM 198 O ALA A 14 -7.557 12.048 6.155 1.00 0.00 O ATOM 199 CB ALA A 14 -5.046 12.698 4.027 1.00 0.00 C ATOM 0 H ALA A 14 -5.908 11.038 2.426 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.492 11.010 5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.850 13.342 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.108 12.272 3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.505 13.284 3.230 1.00 0.00 H new ATOM 205 N ALA A 15 -8.103 12.671 4.079 1.00 0.00 N ATOM 206 CA ALA A 15 -9.400 13.215 4.458 1.00 0.00 C ATOM 207 C ALA A 15 -10.322 12.108 4.964 1.00 0.00 C ATOM 208 O ALA A 15 -11.211 12.345 5.783 1.00 0.00 O ATOM 209 CB ALA A 15 -10.027 13.929 3.273 1.00 0.00 C ATOM 0 H ALA A 15 -7.891 12.743 3.084 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.256 13.932 5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.997 14.333 3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.376 14.742 2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.159 13.224 2.452 1.00 0.00 H new ATOM 215 N ALA A 16 -10.099 10.900 4.460 1.00 0.00 N ATOM 216 CA ALA A 16 -10.891 9.741 4.841 1.00 0.00 C ATOM 217 C ALA A 16 -10.556 9.270 6.246 1.00 0.00 C ATOM 218 O ALA A 16 -11.448 9.127 7.081 1.00 0.00 O ATOM 219 CB ALA A 16 -10.684 8.610 3.846 1.00 0.00 C ATOM 0 H ALA A 16 -9.367 10.699 3.779 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.939 10.040 4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.283 7.749 4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.990 8.939 2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.631 8.330 3.827 1.00 0.00 H new ATOM 225 N ILE A 17 -9.283 8.998 6.511 1.00 0.00 N ATOM 226 CA ILE A 17 -8.906 8.513 7.814 1.00 0.00 C ATOM 227 C ILE A 17 -8.782 9.628 8.859 1.00 0.00 C ATOM 228 O ILE A 17 -9.052 9.392 10.032 1.00 0.00 O ATOM 229 CB ILE A 17 -7.644 7.601 7.775 1.00 0.00 C ATOM 230 CG1 ILE A 17 -7.343 7.090 9.156 1.00 0.00 C ATOM 231 CG2 ILE A 17 -6.389 8.264 7.247 1.00 0.00 C ATOM 232 CD1 ILE A 17 -6.459 8.025 9.948 1.00 0.00 C ATOM 0 H ILE A 17 -8.515 9.105 5.849 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.734 7.884 8.140 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.900 6.802 7.079 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.279 6.939 9.694 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.858 6.117 9.080 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.567 7.549 7.259 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.559 8.604 6.225 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.136 9.118 7.876 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.276 7.603 10.936 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.510 8.156 9.428 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.952 8.991 10.052 1.00 0.00 H new ATOM 244 N ALA A 18 -8.379 10.826 8.455 1.00 0.00 N ATOM 245 CA ALA A 18 -8.241 11.945 9.405 1.00 0.00 C ATOM 246 C ALA A 18 -9.495 12.112 10.262 1.00 0.00 C ATOM 247 O ALA A 18 -9.403 12.425 11.445 1.00 0.00 O ATOM 248 CB ALA A 18 -7.935 13.249 8.690 1.00 0.00 C ATOM 0 H ALA A 18 -8.142 11.056 7.490 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.403 11.699 10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.840 14.051 9.422 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.001 13.150 8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.744 13.483 7.998 1.00 0.00 H new ATOM 254 N GLY A 19 -10.662 11.878 9.666 1.00 0.00 N ATOM 255 CA GLY A 19 -11.908 11.987 10.408 1.00 0.00 C ATOM 256 C GLY A 19 -12.011 10.934 11.494 1.00 0.00 C ATOM 257 O GLY A 19 -12.717 11.116 12.488 1.00 0.00 O ATOM 0 H GLY A 19 -10.767 11.616 8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.979 12.978 10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.749 11.886 9.722 1.00 0.00 H new ATOM 261 N ALA A 20 -11.294 9.829 11.307 1.00 0.00 N ATOM 262 CA ALA A 20 -11.285 8.740 12.269 1.00 0.00 C ATOM 263 C ALA A 20 -10.314 9.010 13.404 1.00 0.00 C ATOM 264 O ALA A 20 -10.621 8.735 14.564 1.00 0.00 O ATOM 265 CB ALA A 20 -10.953 7.425 11.593 1.00 0.00 C ATOM 0 H ALA A 20 -10.708 9.667 10.488 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.287 8.670 12.692 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.952 6.625 12.334 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.699 7.211 10.828 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.968 7.492 11.131 1.00 0.00 H new ATOM 271 N VAL A 21 -9.149 9.565 13.090 1.00 0.00 N ATOM 272 CA VAL A 21 -8.191 9.875 14.142 1.00 0.00 C ATOM 273 C VAL A 21 -8.760 10.987 14.986 1.00 0.00 C ATOM 274 O VAL A 21 -8.662 10.967 16.197 1.00 0.00 O ATOM 275 CB VAL A 21 -6.798 10.292 13.637 1.00 0.00 C ATOM 276 CG1 VAL A 21 -6.207 9.243 12.731 1.00 0.00 C ATOM 277 CG2 VAL A 21 -6.806 11.640 12.949 1.00 0.00 C ATOM 0 H VAL A 21 -8.851 9.804 12.144 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.040 8.956 14.709 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.168 10.385 14.522 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.223 9.568 12.391 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.111 8.304 13.276 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.858 9.098 11.869 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.798 11.883 12.614 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.476 11.606 12.090 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.150 12.403 13.647 1.00 0.00 H new ATOM 287 N ALA A 22 -9.380 11.934 14.306 1.00 0.00 N ATOM 288 CA ALA A 22 -10.023 13.070 14.943 1.00 0.00 C ATOM 289 C ALA A 22 -11.067 12.583 15.936 1.00 0.00 C ATOM 290 O ALA A 22 -11.349 13.245 16.935 1.00 0.00 O ATOM 291 CB ALA A 22 -10.673 13.958 13.894 1.00 0.00 C ATOM 0 H ALA A 22 -9.452 11.937 13.289 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.270 13.651 15.476 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.152 14.807 14.382 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.913 14.319 13.202 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.421 13.385 13.345 1.00 0.00 H new ATOM 297 N ALA A 23 -11.628 11.406 15.655 1.00 0.00 N ATOM 298 CA ALA A 23 -12.625 10.807 16.524 1.00 0.00 C ATOM 299 C ALA A 23 -11.981 10.238 17.787 1.00 0.00 C ATOM 300 O ALA A 23 -12.640 10.091 18.813 1.00 0.00 O ATOM 301 CB ALA A 23 -13.386 9.714 15.783 1.00 0.00 C ATOM 0 H ALA A 23 -11.404 10.852 14.828 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.326 11.587 16.821 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -14.130 9.274 16.447 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.884 10.143 14.914 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.689 8.942 15.457 1.00 0.00 H new ATOM 307 N CYS A 24 -10.698 9.890 17.703 1.00 0.00 N ATOM 308 CA CYS A 24 -9.998 9.310 18.843 1.00 0.00 C ATOM 309 C CYS A 24 -9.002 10.288 19.484 1.00 0.00 C ATOM 310 O CYS A 24 -9.026 10.489 20.698 1.00 0.00 O ATOM 311 CB CYS A 24 -9.283 8.041 18.394 1.00 0.00 C ATOM 312 SG CYS A 24 -8.735 6.963 19.750 1.00 0.00 S ATOM 0 H CYS A 24 -10.128 9.999 16.864 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.738 9.076 19.608 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -9.950 7.475 17.744 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.416 8.320 17.796 1.00 0.00 H new ATOM 317 N GLY A 25 -8.127 10.893 18.679 1.00 0.00 N ATOM 318 CA GLY A 25 -7.157 11.827 19.221 1.00 0.00 C ATOM 319 C GLY A 25 -6.040 12.190 18.250 1.00 0.00 C ATOM 320 O GLY A 25 -5.639 13.351 18.174 1.00 0.00 O ATOM 0 H GLY A 25 -8.075 10.753 17.670 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.674 12.738 19.522 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.717 11.398 20.121 1.00 0.00 H new ATOM 324 N GLY A 26 -5.523 11.207 17.516 1.00 0.00 N ATOM 325 CA GLY A 26 -4.440 11.470 16.577 1.00 0.00 C ATOM 326 C GLY A 26 -3.673 10.210 16.215 1.00 0.00 C ATOM 327 O GLY A 26 -2.895 9.702 17.024 1.00 0.00 O ATOM 0 H GLY A 26 -5.832 10.236 17.553 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.848 11.917 15.671 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.755 12.198 17.011 1.00 0.00 H new ATOM 331 N ILE A 27 -3.917 9.716 14.999 1.00 0.00 N ATOM 332 CA ILE A 27 -3.297 8.498 14.461 1.00 0.00 C ATOM 333 C ILE A 27 -3.105 7.399 15.515 1.00 0.00 C ATOM 334 O ILE A 27 -2.003 6.924 15.802 1.00 0.00 O ATOM 335 CB ILE A 27 -1.994 8.789 13.663 1.00 0.00 C ATOM 336 CG1 ILE A 27 -2.342 9.600 12.425 1.00 0.00 C ATOM 337 CG2 ILE A 27 -1.322 7.502 13.198 1.00 0.00 C ATOM 338 CD1 ILE A 27 -3.129 8.788 11.414 1.00 0.00 C ATOM 0 H ILE A 27 -4.564 10.159 14.346 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.015 8.099 13.744 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.314 9.330 14.321 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.922 10.475 12.717 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.425 9.965 11.962 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.415 7.745 12.644 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.066 6.892 14.064 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.004 6.948 12.553 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.355 9.408 10.546 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.539 7.927 11.101 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.059 8.445 11.867 1.00 0.00 H new ATOM 350 N ASP A 28 -4.227 6.943 16.023 1.00 0.00 N ATOM 351 CA ASP A 28 -4.260 5.833 16.947 1.00 0.00 C ATOM 352 C ASP A 28 -4.760 4.705 16.094 1.00 0.00 C ATOM 353 O ASP A 28 -5.958 4.477 16.009 1.00 0.00 O ATOM 354 CB ASP A 28 -5.197 6.100 18.127 1.00 0.00 C ATOM 355 CG ASP A 28 -4.439 6.353 19.407 1.00 0.00 C ATOM 356 OD1 ASP A 28 -3.208 6.155 19.415 1.00 0.00 O ATOM 357 OD2 ASP A 28 -5.073 6.727 20.409 1.00 0.00 O ATOM 0 H ASP A 28 -5.145 7.332 15.806 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.292 5.633 17.406 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.826 6.961 17.902 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.861 5.247 18.262 1.00 0.00 H new ATOM 362 N LEU A 29 -3.843 4.109 15.350 1.00 0.00 N ATOM 363 CA LEU A 29 -4.169 3.108 14.360 1.00 0.00 C ATOM 364 C LEU A 29 -5.250 2.080 14.744 1.00 0.00 C ATOM 365 O LEU A 29 -6.146 1.847 13.937 1.00 0.00 O ATOM 366 CB LEU A 29 -2.901 2.465 13.754 1.00 0.00 C ATOM 367 CG LEU A 29 -1.820 1.933 14.709 1.00 0.00 C ATOM 368 CD1 LEU A 29 -0.800 1.117 13.929 1.00 0.00 C ATOM 369 CD2 LEU A 29 -1.100 3.062 15.434 1.00 0.00 C ATOM 0 H LEU A 29 -2.846 4.311 15.420 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.668 3.675 13.574 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.220 1.637 13.120 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.434 3.204 13.103 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.317 1.310 15.452 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.036 0.742 14.610 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.299 0.277 13.446 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.333 1.746 13.171 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.344 2.644 16.099 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.620 3.715 14.705 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.819 3.636 16.018 1.00 0.00 H new ATOM 381 N PRO A 30 -5.248 1.460 15.942 1.00 0.00 N ATOM 382 CA PRO A 30 -6.304 0.503 16.291 1.00 0.00 C ATOM 383 C PRO A 30 -7.625 1.207 16.628 1.00 0.00 C ATOM 384 O PRO A 30 -8.691 0.586 16.667 1.00 0.00 O ATOM 385 CB PRO A 30 -5.741 -0.215 17.518 1.00 0.00 C ATOM 386 CG PRO A 30 -4.817 0.771 18.151 1.00 0.00 C ATOM 387 CD PRO A 30 -4.274 1.633 17.038 1.00 0.00 C ATOM 0 HA PRO A 30 -6.542 -0.170 15.468 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.536 -0.508 18.204 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.213 -1.126 17.235 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.344 1.377 18.888 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.009 0.262 18.676 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.198 2.677 17.343 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.276 1.315 16.738 1.00 0.00 H new ATOM 395 N CYS A 31 -7.527 2.508 16.874 1.00 0.00 N ATOM 396 CA CYS A 31 -8.666 3.342 17.226 1.00 0.00 C ATOM 397 C CYS A 31 -9.323 3.953 15.990 1.00 0.00 C ATOM 398 O CYS A 31 -10.542 3.889 15.836 1.00 0.00 O ATOM 399 CB CYS A 31 -8.198 4.460 18.150 1.00 0.00 C ATOM 400 SG CYS A 31 -9.490 5.153 19.226 1.00 0.00 S ATOM 0 H CYS A 31 -6.644 3.017 16.834 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.405 2.714 17.724 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.389 4.081 18.775 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.781 5.264 17.543 1.00 0.00 H new ATOM 405 N VAL A 32 -8.519 4.554 15.108 1.00 0.00 N ATOM 406 CA VAL A 32 -9.066 5.173 13.896 1.00 0.00 C ATOM 407 C VAL A 32 -9.606 4.097 12.977 1.00 0.00 C ATOM 408 O VAL A 32 -10.609 4.303 12.317 1.00 0.00 O ATOM 409 CB VAL A 32 -8.029 6.061 13.130 1.00 0.00 C ATOM 410 CG1 VAL A 32 -6.922 6.486 14.065 1.00 0.00 C ATOM 411 CG2 VAL A 32 -7.483 5.394 11.878 1.00 0.00 C ATOM 0 H VAL A 32 -7.506 4.625 15.206 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.867 5.840 14.214 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.556 6.949 12.781 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.205 7.103 13.523 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.343 7.059 14.891 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.417 5.603 14.456 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.770 6.060 11.392 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.984 4.464 12.149 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.303 5.179 11.193 1.00 0.00 H new ATOM 421 N LEU A 33 -8.938 2.945 12.942 1.00 0.00 N ATOM 422 CA LEU A 33 -9.363 1.855 12.089 1.00 0.00 C ATOM 423 C LEU A 33 -10.676 1.250 12.567 1.00 0.00 C ATOM 424 O LEU A 33 -11.282 0.452 11.865 1.00 0.00 O ATOM 425 CB LEU A 33 -8.283 0.784 12.024 1.00 0.00 C ATOM 426 CG LEU A 33 -8.291 -0.044 10.749 1.00 0.00 C ATOM 427 CD1 LEU A 33 -6.976 0.106 10.005 1.00 0.00 C ATOM 428 CD2 LEU A 33 -8.567 -1.493 11.076 1.00 0.00 C ATOM 0 H LEU A 33 -8.104 2.750 13.496 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.526 2.259 11.090 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.309 1.262 12.125 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.400 0.116 12.877 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.085 0.320 10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.002 -0.494 9.096 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.823 1.153 9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.158 -0.233 10.640 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.571 -2.079 10.157 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.792 -1.870 11.743 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.538 -1.577 11.564 1.00 0.00 H new ATOM 440 N ALA A 34 -11.135 1.640 13.747 1.00 0.00 N ATOM 441 CA ALA A 34 -12.400 1.129 14.256 1.00 0.00 C ATOM 442 C ALA A 34 -13.550 1.833 13.546 1.00 0.00 C ATOM 443 O ALA A 34 -14.630 1.271 13.368 1.00 0.00 O ATOM 444 CB ALA A 34 -12.504 1.323 15.762 1.00 0.00 C ATOM 0 H ALA A 34 -10.659 2.299 14.363 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.452 0.058 14.058 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.459 0.932 16.114 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.690 0.791 16.254 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.438 2.385 15.997 1.00 0.00 H new ATOM 450 N ALA A 35 -13.291 3.069 13.132 1.00 0.00 N ATOM 451 CA ALA A 35 -14.275 3.880 12.422 1.00 0.00 C ATOM 452 C ALA A 35 -13.916 3.977 10.948 1.00 0.00 C ATOM 453 O ALA A 35 -14.785 3.916 10.075 1.00 0.00 O ATOM 454 CB ALA A 35 -14.342 5.269 13.025 1.00 0.00 C ATOM 0 H ALA A 35 -12.396 3.536 13.278 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.250 3.402 12.518 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -15.080 5.864 12.487 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.630 5.197 14.074 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.365 5.746 12.949 1.00 0.00 H new ATOM 460 N LEU A 36 -12.621 4.119 10.687 1.00 0.00 N ATOM 461 CA LEU A 36 -12.104 4.220 9.335 1.00 0.00 C ATOM 462 C LEU A 36 -12.323 2.936 8.569 1.00 0.00 C ATOM 463 O LEU A 36 -12.307 2.929 7.345 1.00 0.00 O ATOM 464 CB LEU A 36 -10.599 4.491 9.332 1.00 0.00 C ATOM 465 CG LEU A 36 -9.977 4.283 7.958 1.00 0.00 C ATOM 466 CD1 LEU A 36 -10.392 5.392 7.049 1.00 0.00 C ATOM 467 CD2 LEU A 36 -8.484 4.181 7.994 1.00 0.00 C ATOM 0 H LEU A 36 -11.903 4.167 11.410 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.640 5.044 8.865 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.416 5.514 9.660 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.112 3.833 10.052 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.343 3.327 7.584 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.946 5.242 6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.478 5.400 6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.055 6.344 7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.105 4.033 6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.066 5.099 8.408 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.192 3.336 8.618 1.00 0.00 H new ATOM 479 N LYS A 37 -12.481 1.841 9.281 1.00 0.00 N ATOM 480 CA LYS A 37 -12.648 0.558 8.623 1.00 0.00 C ATOM 481 C LYS A 37 -13.858 0.576 7.681 1.00 0.00 C ATOM 482 O LYS A 37 -13.948 -0.228 6.753 1.00 0.00 O ATOM 483 CB LYS A 37 -12.817 -0.560 9.662 1.00 0.00 C ATOM 484 CG LYS A 37 -11.865 -1.735 9.510 1.00 0.00 C ATOM 485 CD LYS A 37 -12.318 -2.691 8.422 1.00 0.00 C ATOM 486 CE LYS A 37 -11.567 -4.015 8.494 1.00 0.00 C ATOM 487 NZ LYS A 37 -11.826 -4.733 9.777 1.00 0.00 N ATOM 0 H LYS A 37 -12.498 1.809 10.300 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.752 0.366 8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.685 -0.133 10.656 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.840 -0.933 9.608 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.866 -1.366 9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.794 -2.270 10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.388 -2.873 8.519 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.159 -2.234 7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.865 -4.647 7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.498 -3.832 8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.643 -5.749 9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.199 -4.358 10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.817 -4.593 10.059 1.00 0.00 H new ATOM 501 N ALA A 38 -14.773 1.516 7.925 1.00 0.00 N ATOM 502 CA ALA A 38 -15.970 1.672 7.103 1.00 0.00 C ATOM 503 C ALA A 38 -15.625 2.297 5.753 1.00 0.00 C ATOM 504 O ALA A 38 -16.484 2.433 4.882 1.00 0.00 O ATOM 505 CB ALA A 38 -17.007 2.517 7.825 1.00 0.00 C ATOM 0 H ALA A 38 -14.705 2.185 8.692 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.389 0.682 6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.892 2.622 7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.282 2.033 8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.591 3.503 8.034 1.00 0.00 H new ATOM 511 N ALA A 39 -14.358 2.661 5.582 1.00 0.00 N ATOM 512 CA ALA A 39 -13.878 3.247 4.337 1.00 0.00 C ATOM 513 C ALA A 39 -13.880 2.188 3.245 1.00 0.00 C ATOM 514 O ALA A 39 -14.140 1.016 3.516 1.00 0.00 O ATOM 515 CB ALA A 39 -12.466 3.809 4.525 1.00 0.00 C ATOM 0 H ALA A 39 -13.639 2.559 6.299 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.539 4.064 4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.120 4.244 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.480 4.577 5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.792 3.006 4.824 1.00 0.00 H new ATOM 521 N GLU A 40 -13.553 2.580 2.022 1.00 0.00 N ATOM 522 CA GLU A 40 -13.491 1.631 0.913 1.00 0.00 C ATOM 523 C GLU A 40 -12.214 0.798 1.007 1.00 0.00 C ATOM 524 O GLU A 40 -11.666 0.355 -0.005 1.00 0.00 O ATOM 525 CB GLU A 40 -13.527 2.365 -0.430 1.00 0.00 C ATOM 526 CG GLU A 40 -12.491 3.471 -0.544 1.00 0.00 C ATOM 527 CD GLU A 40 -12.281 3.923 -1.967 1.00 0.00 C ATOM 528 OE1 GLU A 40 -11.743 3.129 -2.765 1.00 0.00 O ATOM 529 OE2 GLU A 40 -12.659 5.064 -2.289 1.00 0.00 O ATOM 0 H GLU A 40 -13.327 3.542 1.770 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.358 0.974 0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.368 1.645 -1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -14.520 2.791 -0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.805 4.322 0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.544 3.120 -0.134 1.00 0.00 H new ATOM 536 N GLY A 41 -11.734 0.612 2.229 1.00 0.00 N ATOM 537 CA GLY A 41 -10.522 -0.131 2.444 1.00 0.00 C ATOM 538 C GLY A 41 -9.311 0.715 2.145 1.00 0.00 C ATOM 539 O GLY A 41 -8.331 0.227 1.592 1.00 0.00 O ATOM 0 H GLY A 41 -12.172 0.969 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.482 -0.478 3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.517 -1.017 1.809 1.00 0.00 H new ATOM 543 N CYS A 42 -9.353 1.992 2.530 1.00 0.00 N ATOM 544 CA CYS A 42 -8.226 2.865 2.290 1.00 0.00 C ATOM 545 C CYS A 42 -7.459 3.043 3.574 1.00 0.00 C ATOM 546 O CYS A 42 -6.596 3.913 3.697 1.00 0.00 O ATOM 547 CB CYS A 42 -8.653 4.202 1.688 1.00 0.00 C ATOM 548 SG CYS A 42 -8.305 4.328 -0.103 1.00 0.00 S ATOM 0 H CYS A 42 -10.145 2.430 3.001 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.574 2.403 1.549 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.721 4.344 1.855 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.138 5.009 2.209 1.00 0.00 H new ATOM 553 N ALA A 43 -7.756 2.150 4.509 1.00 0.00 N ATOM 554 CA ALA A 43 -7.087 2.101 5.789 1.00 0.00 C ATOM 555 C ALA A 43 -5.646 1.705 5.556 1.00 0.00 C ATOM 556 O ALA A 43 -4.763 1.968 6.367 1.00 0.00 O ATOM 557 CB ALA A 43 -7.770 1.090 6.670 1.00 0.00 C ATOM 0 H ALA A 43 -8.475 1.436 4.393 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.126 3.073 6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.267 1.051 7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.811 1.378 6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.727 0.108 6.199 1.00 0.00 H new ATOM 563 N SER A 44 -5.436 1.100 4.401 1.00 0.00 N ATOM 564 CA SER A 44 -4.131 0.684 3.957 1.00 0.00 C ATOM 565 C SER A 44 -3.272 1.917 3.722 1.00 0.00 C ATOM 566 O SER A 44 -2.075 1.924 3.996 1.00 0.00 O ATOM 567 CB SER A 44 -4.295 -0.115 2.677 1.00 0.00 C ATOM 568 OG SER A 44 -5.368 0.400 1.898 1.00 0.00 O ATOM 0 H SER A 44 -6.182 0.884 3.740 1.00 0.00 H new ATOM 0 HA SER A 44 -3.642 0.061 4.706 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.371 -0.081 2.100 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.483 -1.162 2.917 1.00 0.00 H new ATOM 0 HG SER A 44 -5.130 0.363 0.948 1.00 0.00 H new ATOM 574 N CYS A 45 -3.933 2.976 3.258 1.00 0.00 N ATOM 575 CA CYS A 45 -3.268 4.269 3.028 1.00 0.00 C ATOM 576 C CYS A 45 -2.895 4.842 4.378 1.00 0.00 C ATOM 577 O CYS A 45 -1.819 5.406 4.573 1.00 0.00 O ATOM 578 CB CYS A 45 -4.176 5.285 2.316 1.00 0.00 C ATOM 579 SG CYS A 45 -3.252 6.653 1.528 1.00 0.00 S ATOM 0 H CYS A 45 -4.928 2.970 3.032 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.401 4.094 2.391 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.763 4.768 1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.881 5.700 3.037 1.00 0.00 H new ATOM 584 N PHE A 46 -3.824 4.663 5.307 1.00 0.00 N ATOM 585 CA PHE A 46 -3.682 5.114 6.677 1.00 0.00 C ATOM 586 C PHE A 46 -2.483 4.453 7.345 1.00 0.00 C ATOM 587 O PHE A 46 -1.515 5.121 7.702 1.00 0.00 O ATOM 588 CB PHE A 46 -4.981 4.788 7.439 1.00 0.00 C ATOM 589 CG PHE A 46 -4.826 4.588 8.921 1.00 0.00 C ATOM 590 CD1 PHE A 46 -4.632 5.654 9.777 1.00 0.00 C ATOM 591 CD2 PHE A 46 -4.860 3.314 9.461 1.00 0.00 C ATOM 592 CE1 PHE A 46 -4.487 5.468 11.102 1.00 0.00 C ATOM 593 CE2 PHE A 46 -4.715 3.122 10.803 1.00 0.00 C ATOM 594 CZ PHE A 46 -4.528 4.198 11.629 1.00 0.00 C ATOM 0 H PHE A 46 -4.710 4.192 5.123 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.509 6.190 6.691 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.693 5.596 7.271 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.416 3.885 7.011 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.596 6.656 9.376 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.003 2.463 8.812 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.338 6.317 11.753 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.748 2.124 11.214 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.413 4.050 12.693 1.00 0.00 H new ATOM 604 N CYS A 47 -2.562 3.145 7.537 1.00 0.00 N ATOM 605 CA CYS A 47 -1.497 2.409 8.204 1.00 0.00 C ATOM 606 C CYS A 47 -0.402 1.960 7.243 1.00 0.00 C ATOM 607 O CYS A 47 0.103 0.842 7.342 1.00 0.00 O ATOM 608 CB CYS A 47 -2.082 1.211 8.947 1.00 0.00 C ATOM 609 SG CYS A 47 -1.047 0.606 10.314 1.00 0.00 S ATOM 0 H CYS A 47 -3.352 2.571 7.241 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.028 3.088 8.916 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.061 1.484 9.340 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.239 0.399 8.237 1.00 0.00 H new ATOM 614 N GLU A 48 -0.010 2.844 6.340 1.00 0.00 N ATOM 615 CA GLU A 48 1.054 2.538 5.401 1.00 0.00 C ATOM 616 C GLU A 48 2.376 3.016 5.985 1.00 0.00 C ATOM 617 O GLU A 48 3.389 2.316 5.938 1.00 0.00 O ATOM 618 CB GLU A 48 0.793 3.208 4.052 1.00 0.00 C ATOM 619 CG GLU A 48 1.718 2.731 2.948 1.00 0.00 C ATOM 620 CD GLU A 48 1.441 3.406 1.629 1.00 0.00 C ATOM 621 OE1 GLU A 48 0.566 4.294 1.587 1.00 0.00 O ATOM 622 OE2 GLU A 48 2.108 3.060 0.635 1.00 0.00 O ATOM 0 H GLU A 48 -0.412 3.776 6.238 1.00 0.00 H new ATOM 0 HA GLU A 48 1.093 1.461 5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.239 3.020 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.901 4.287 4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.752 2.919 3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.611 1.653 2.830 1.00 0.00 H new ATOM 629 N ASP A 49 2.338 4.213 6.562 1.00 0.00 N ATOM 630 CA ASP A 49 3.507 4.810 7.193 1.00 0.00 C ATOM 631 C ASP A 49 3.836 4.088 8.492 1.00 0.00 C ATOM 632 O ASP A 49 4.987 3.735 8.749 1.00 0.00 O ATOM 633 CB ASP A 49 3.248 6.293 7.475 1.00 0.00 C ATOM 634 CG ASP A 49 4.290 6.905 8.379 1.00 0.00 C ATOM 635 OD1 ASP A 49 5.481 6.878 8.019 1.00 0.00 O ATOM 636 OD2 ASP A 49 3.914 7.425 9.447 1.00 0.00 O ATOM 0 H ASP A 49 1.500 4.793 6.605 1.00 0.00 H new ATOM 0 HA ASP A 49 4.355 4.716 6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.225 6.839 6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.265 6.405 7.932 1.00 0.00 H new ATOM 641 N HIS A 50 2.812 3.876 9.308 1.00 0.00 N ATOM 642 CA HIS A 50 2.980 3.203 10.589 1.00 0.00 C ATOM 643 C HIS A 50 2.602 1.726 10.510 1.00 0.00 C ATOM 644 O HIS A 50 1.889 1.208 11.370 1.00 0.00 O ATOM 645 CB HIS A 50 2.182 3.918 11.688 1.00 0.00 C ATOM 646 CG HIS A 50 0.832 4.410 11.260 1.00 0.00 C ATOM 647 ND1 HIS A 50 -0.268 3.594 11.108 1.00 0.00 N ATOM 648 CD2 HIS A 50 0.417 5.658 10.946 1.00 0.00 C ATOM 649 CE1 HIS A 50 -1.299 4.326 10.723 1.00 0.00 C ATOM 650 NE2 HIS A 50 -0.909 5.581 10.616 1.00 0.00 N ATOM 0 H HIS A 50 1.854 4.161 9.105 1.00 0.00 H new ATOM 0 HA HIS A 50 4.038 3.251 10.847 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.056 3.236 12.529 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.765 4.765 12.049 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -0.284 2.587 11.267 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.022 6.553 10.954 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.295 3.957 10.528 1.00 0.00 H new ATOM 659 N CYS A 51 3.116 1.052 9.491 1.00 0.00 N ATOM 660 CA CYS A 51 2.881 -0.381 9.302 1.00 0.00 C ATOM 661 C CYS A 51 3.690 -1.174 10.329 1.00 0.00 C ATOM 662 O CYS A 51 4.777 -1.672 10.035 1.00 0.00 O ATOM 663 CB CYS A 51 3.265 -0.813 7.873 1.00 0.00 C ATOM 664 SG CYS A 51 3.547 -2.612 7.674 1.00 0.00 S ATOM 0 H CYS A 51 3.705 1.475 8.774 1.00 0.00 H new ATOM 0 HA CYS A 51 1.820 -0.584 9.445 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.475 -0.504 7.189 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.169 -0.281 7.577 1.00 0.00 H new ATOM 669 N HIS A 52 3.167 -1.260 11.547 1.00 0.00 N ATOM 670 CA HIS A 52 3.842 -1.966 12.628 1.00 0.00 C ATOM 671 C HIS A 52 2.949 -2.007 13.861 1.00 0.00 C ATOM 672 O HIS A 52 1.850 -1.445 13.856 1.00 0.00 O ATOM 673 CB HIS A 52 5.173 -1.271 12.968 1.00 0.00 C ATOM 674 CG HIS A 52 5.029 0.033 13.703 1.00 0.00 C ATOM 675 ND1 HIS A 52 4.203 1.057 13.285 1.00 0.00 N ATOM 676 CD2 HIS A 52 5.616 0.471 14.839 1.00 0.00 C ATOM 677 CE1 HIS A 52 4.292 2.067 14.134 1.00 0.00 C ATOM 678 NE2 HIS A 52 5.142 1.736 15.088 1.00 0.00 N ATOM 0 H HIS A 52 2.273 -0.847 11.811 1.00 0.00 H new ATOM 0 HA HIS A 52 4.050 -2.986 12.304 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.777 -1.948 13.571 1.00 0.00 H new ATOM 0 HB3 HIS A 52 5.721 -1.093 12.043 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.328 -0.074 15.441 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.760 3.004 14.059 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.404 2.323 15.880 1.00 0.00 H new ATOM 687 N GLY A 53 3.441 -2.647 14.913 1.00 0.00 N ATOM 688 CA GLY A 53 2.705 -2.728 16.161 1.00 0.00 C ATOM 689 C GLY A 53 1.341 -3.377 16.033 1.00 0.00 C ATOM 690 O GLY A 53 1.231 -4.595 15.887 1.00 0.00 O ATOM 0 H GLY A 53 4.346 -3.116 14.924 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.297 -3.290 16.884 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.581 -1.723 16.563 1.00 0.00 H new ATOM 694 N VAL A 54 0.297 -2.561 16.120 1.00 0.00 N ATOM 695 CA VAL A 54 -1.066 -3.049 16.055 1.00 0.00 C ATOM 696 C VAL A 54 -1.593 -3.102 14.607 1.00 0.00 C ATOM 697 O VAL A 54 -2.683 -3.596 14.368 1.00 0.00 O ATOM 698 CB VAL A 54 -1.970 -2.166 16.940 1.00 0.00 C ATOM 699 CG1 VAL A 54 -2.213 -0.850 16.261 1.00 0.00 C ATOM 700 CG2 VAL A 54 -3.281 -2.847 17.287 1.00 0.00 C ATOM 0 H VAL A 54 0.375 -1.551 16.237 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.081 -4.072 16.430 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.450 -1.996 17.883 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.852 -0.229 16.889 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.262 -0.343 16.098 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.702 -1.020 15.302 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.881 -2.185 17.911 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.826 -3.075 16.371 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.079 -3.771 17.829 1.00 0.00 H new ATOM 710 N CYS A 55 -0.799 -2.632 13.639 1.00 0.00 N ATOM 711 CA CYS A 55 -1.180 -2.678 12.206 1.00 0.00 C ATOM 712 C CYS A 55 -1.360 -4.140 11.794 1.00 0.00 C ATOM 713 O CYS A 55 -2.013 -4.449 10.804 1.00 0.00 O ATOM 714 CB CYS A 55 -0.072 -2.045 11.365 1.00 0.00 C ATOM 715 SG CYS A 55 -0.639 -1.311 9.802 1.00 0.00 S ATOM 0 H CYS A 55 0.115 -2.213 13.813 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.109 -2.129 12.049 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.420 -1.273 11.957 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.678 -2.804 11.144 1.00 0.00 H new ATOM 720 N LYS A 56 -0.801 -5.034 12.597 1.00 0.00 N ATOM 721 CA LYS A 56 -0.918 -6.466 12.362 1.00 0.00 C ATOM 722 C LYS A 56 -2.141 -6.985 13.127 1.00 0.00 C ATOM 723 O LYS A 56 -2.694 -8.038 12.818 1.00 0.00 O ATOM 724 CB LYS A 56 0.372 -7.175 12.818 1.00 0.00 C ATOM 725 CG LYS A 56 0.533 -8.607 12.311 1.00 0.00 C ATOM 726 CD LYS A 56 -0.145 -9.621 13.221 1.00 0.00 C ATOM 727 CE LYS A 56 0.530 -9.680 14.583 1.00 0.00 C ATOM 728 NZ LYS A 56 -0.073 -10.715 15.467 1.00 0.00 N ATOM 0 H LYS A 56 -0.257 -4.790 13.424 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.051 -6.671 11.300 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.228 -6.589 12.485 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.397 -7.186 13.908 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.113 -8.684 11.308 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.594 -8.845 12.232 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.195 -9.357 13.344 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.117 -10.606 12.756 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.591 -9.891 14.451 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.456 -8.705 15.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.419 -10.718 16.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.080 -10.501 15.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.020 -11.650 15.021 1.00 0.00 H new ATOM 742 N ASP A 57 -2.555 -6.210 14.130 1.00 0.00 N ATOM 743 CA ASP A 57 -3.705 -6.544 14.965 1.00 0.00 C ATOM 744 C ASP A 57 -5.014 -6.109 14.310 1.00 0.00 C ATOM 745 O ASP A 57 -5.959 -6.897 14.225 1.00 0.00 O ATOM 746 CB ASP A 57 -3.572 -5.875 16.333 1.00 0.00 C ATOM 747 CG ASP A 57 -4.108 -6.733 17.455 1.00 0.00 C ATOM 748 OD1 ASP A 57 -3.727 -7.917 17.534 1.00 0.00 O ATOM 749 OD2 ASP A 57 -4.901 -6.222 18.269 1.00 0.00 O ATOM 0 H ASP A 57 -2.101 -5.333 14.385 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.725 -7.627 15.086 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.522 -5.650 16.523 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.105 -4.924 16.322 1.00 0.00 H new ATOM 754 N LEU A 58 -5.090 -4.852 13.852 1.00 0.00 N ATOM 755 CA LEU A 58 -6.311 -4.367 13.217 1.00 0.00 C ATOM 756 C LEU A 58 -6.501 -4.974 11.813 1.00 0.00 C ATOM 757 O LEU A 58 -7.523 -4.744 11.169 1.00 0.00 O ATOM 758 CB LEU A 58 -6.440 -2.807 13.237 1.00 0.00 C ATOM 759 CG LEU A 58 -5.286 -1.904 12.741 1.00 0.00 C ATOM 760 CD1 LEU A 58 -4.487 -1.366 13.905 1.00 0.00 C ATOM 761 CD2 LEU A 58 -4.391 -2.619 11.763 1.00 0.00 C ATOM 0 H LEU A 58 -4.335 -4.169 13.910 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.142 -4.723 13.826 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.320 -2.552 12.647 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.651 -2.518 14.266 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.737 -1.064 12.213 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.681 -0.734 13.532 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.138 -0.779 14.553 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.065 -2.196 14.471 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.595 -1.948 11.441 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.955 -3.496 12.242 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.975 -2.932 10.897 1.00 0.00 H new ATOM 773 N HIS A 59 -5.504 -5.766 11.376 1.00 0.00 N ATOM 774 CA HIS A 59 -5.506 -6.458 10.082 1.00 0.00 C ATOM 775 C HIS A 59 -5.232 -5.467 8.986 1.00 0.00 C ATOM 776 O HIS A 59 -6.135 -5.056 8.262 1.00 0.00 O ATOM 777 CB HIS A 59 -6.825 -7.202 9.833 1.00 0.00 C ATOM 778 CG HIS A 59 -6.954 -8.489 10.592 1.00 0.00 C ATOM 779 ND1 HIS A 59 -6.821 -8.577 11.963 1.00 0.00 N ATOM 780 CD2 HIS A 59 -7.217 -9.746 10.163 1.00 0.00 C ATOM 781 CE1 HIS A 59 -6.997 -9.831 12.341 1.00 0.00 C ATOM 782 NE2 HIS A 59 -7.240 -10.562 11.267 1.00 0.00 N ATOM 0 H HIS A 59 -4.662 -5.943 11.924 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.718 -7.211 10.093 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -7.655 -6.549 10.103 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.917 -7.410 8.767 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -6.618 -7.796 12.587 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.379 -10.051 9.140 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.950 -10.197 13.356 1.00 0.00 H new ATOM 791 N LEU A 60 -3.983 -5.039 8.915 1.00 0.00 N ATOM 792 CA LEU A 60 -3.588 -4.038 7.970 1.00 0.00 C ATOM 793 C LEU A 60 -2.267 -4.355 7.292 1.00 0.00 C ATOM 794 O LEU A 60 -2.228 -4.687 6.106 1.00 0.00 O ATOM 795 CB LEU A 60 -3.471 -2.733 8.739 1.00 0.00 C ATOM 796 CG LEU A 60 -4.280 -1.603 8.181 1.00 0.00 C ATOM 797 CD1 LEU A 60 -3.508 -1.021 7.042 1.00 0.00 C ATOM 798 CD2 LEU A 60 -5.644 -2.117 7.757 1.00 0.00 C ATOM 0 H LEU A 60 -3.228 -5.379 9.511 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.331 -3.984 7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.777 -2.906 9.771 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.423 -2.434 8.763 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.456 -0.823 8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.068 -0.192 6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.545 -0.659 7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.347 -1.786 6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.233 -1.294 7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.522 -2.887 6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.158 -2.539 8.620 1.00 0.00 H new ATOM 810 N CYS A 61 -1.188 -4.205 8.044 1.00 0.00 N ATOM 811 CA CYS A 61 0.148 -4.426 7.527 1.00 0.00 C ATOM 812 C CYS A 61 1.071 -4.899 8.645 1.00 0.00 C ATOM 813 O CYS A 61 1.332 -4.106 9.572 1.00 0.00 O ATOM 814 CB CYS A 61 0.658 -3.117 6.912 1.00 0.00 C ATOM 815 SG CYS A 61 2.318 -3.196 6.169 1.00 0.00 S ATOM 816 OXT CYS A 61 1.505 -6.066 8.600 1.00 0.00 O ATOM 0 H CYS A 61 -1.216 -3.928 9.025 1.00 0.00 H new ATOM 0 HA CYS A 61 0.130 -5.201 6.760 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.049 -2.796 6.147 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.661 -2.349 7.686 1.00 0.00 H new