USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 409 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.129 (180deg=-0.298) USER MOD Single : A 2 LYS NZ :NH3+ 161:sc= -6.73! (180deg=-7.92!) USER MOD Single : A 18 ASN : amide:sc= -12.7! C(o=-13!,f=-12!) USER MOD Single : A 25 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.15) USER MOD Single : A 31 LYS NZ :NH3+ 147:sc= -0.327 (180deg=-1.65) USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= -0.0618 (180deg=-0.573) USER MOD Single : A 36 GLN : amide:sc= -10.5! C(o=-11!,f=-10!) USER MOD Single : A 39 THR OG1 : rot -81:sc= -8.89! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -53:sc= -1.12 USER MOD Single : A 57 SER OG : rot 120:sc= -2.52! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.965 5.301 10.322 1.00 0.00 N ATOM 2 CA MET A 1 20.231 6.080 11.360 1.00 0.00 C ATOM 3 C MET A 1 18.737 5.965 11.133 1.00 0.00 C ATOM 4 O MET A 1 17.954 6.778 11.577 1.00 0.00 O ATOM 5 CB MET A 1 20.632 7.532 11.258 1.00 0.00 C ATOM 6 CG MET A 1 20.109 8.322 12.466 1.00 0.00 C ATOM 7 SD MET A 1 20.645 7.527 14.002 1.00 0.00 S ATOM 8 CE MET A 1 20.271 8.907 15.111 1.00 0.00 C ATOM 0 H1 MET A 1 21.978 5.531 10.367 1.00 0.00 H new ATOM 0 H2 MET A 1 20.833 4.284 10.493 1.00 0.00 H new ATOM 0 H3 MET A 1 20.596 5.544 9.380 1.00 0.00 H new ATOM 0 HA MET A 1 20.477 5.688 12.347 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.718 7.612 11.206 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.236 7.961 10.337 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.478 9.347 12.429 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.021 8.374 12.434 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.529 8.632 16.134 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.851 9.781 14.813 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.208 9.141 15.055 1.00 0.00 H new ATOM 20 N LYS A 2 18.363 5.010 10.373 1.00 0.00 N ATOM 21 CA LYS A 2 16.929 4.873 9.994 1.00 0.00 C ATOM 22 C LYS A 2 16.652 3.475 9.434 1.00 0.00 C ATOM 23 O LYS A 2 17.452 2.920 8.707 1.00 0.00 O ATOM 24 CB LYS A 2 16.715 5.885 8.903 1.00 0.00 C ATOM 25 CG LYS A 2 15.679 6.908 9.342 1.00 0.00 C ATOM 26 CD LYS A 2 15.794 8.151 8.453 1.00 0.00 C ATOM 27 CE LYS A 2 16.523 9.286 9.190 1.00 0.00 C ATOM 28 NZ LYS A 2 17.455 8.722 10.202 1.00 0.00 N ATOM 0 H LYS A 2 18.984 4.300 9.984 1.00 0.00 H new ATOM 0 HA LYS A 2 16.274 5.025 10.852 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.655 6.384 8.669 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.383 5.386 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.677 6.484 9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.835 7.177 10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.332 7.901 7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.800 8.484 8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 2 17.075 9.898 8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.798 9.939 9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.161 9.440 10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.920 8.440 11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.937 7.891 9.805 1.00 0.00 H new ATOM 42 N VAL A 3 15.551 2.894 9.783 1.00 0.00 N ATOM 43 CA VAL A 3 15.237 1.528 9.300 1.00 0.00 C ATOM 44 C VAL A 3 13.729 1.333 9.311 1.00 0.00 C ATOM 45 O VAL A 3 13.168 0.679 8.453 1.00 0.00 O ATOM 46 CB VAL A 3 15.880 0.491 10.224 1.00 0.00 C ATOM 47 CG1 VAL A 3 17.379 0.418 9.923 1.00 0.00 C ATOM 48 CG2 VAL A 3 15.670 0.886 11.689 1.00 0.00 C ATOM 0 H VAL A 3 14.844 3.310 10.390 1.00 0.00 H new ATOM 0 HA VAL A 3 15.625 1.403 8.289 1.00 0.00 H new ATOM 0 HB VAL A 3 15.418 -0.481 10.053 1.00 0.00 H new ATOM 0 HG11 VAL A 3 17.846 -0.319 10.577 1.00 0.00 H new ATOM 0 HG12 VAL A 3 17.528 0.126 8.883 1.00 0.00 H new ATOM 0 HG13 VAL A 3 17.832 1.394 10.094 1.00 0.00 H new ATOM 0 HG21 VAL A 3 16.132 0.141 12.337 1.00 0.00 H new ATOM 0 HG22 VAL A 3 16.126 1.859 11.873 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.602 0.940 11.902 1.00 0.00 H new ATOM 58 N ARG A 4 13.063 1.896 10.287 1.00 0.00 N ATOM 59 CA ARG A 4 11.581 1.728 10.346 1.00 0.00 C ATOM 60 C ARG A 4 10.903 3.098 10.294 1.00 0.00 C ATOM 61 O ARG A 4 11.268 4.012 11.005 1.00 0.00 O ATOM 62 CB ARG A 4 11.193 1.010 11.641 1.00 0.00 C ATOM 63 CG ARG A 4 12.016 1.569 12.799 1.00 0.00 C ATOM 64 CD ARG A 4 11.156 1.611 14.064 1.00 0.00 C ATOM 65 NE ARG A 4 11.688 0.637 15.060 1.00 0.00 N ATOM 66 CZ ARG A 4 12.863 0.825 15.594 1.00 0.00 C ATOM 67 NH1 ARG A 4 13.007 1.678 16.572 1.00 0.00 N ATOM 68 NH2 ARG A 4 13.895 0.158 15.154 1.00 0.00 N ATOM 0 H ARG A 4 13.474 2.456 11.034 1.00 0.00 H new ATOM 0 HA ARG A 4 11.254 1.133 9.493 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.129 1.144 11.839 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.367 -0.061 11.541 1.00 0.00 H new ATOM 0 HG2 ARG A 4 12.897 0.949 12.966 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.373 2.570 12.556 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.159 2.616 14.485 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.121 1.370 13.821 1.00 0.00 H new ATOM 0 HE ARG A 4 11.133 -0.177 15.324 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.200 2.197 16.919 1.00 0.00 H new ATOM 0 HH12 ARG A 4 13.926 1.825 16.989 1.00 0.00 H new ATOM 0 HH21 ARG A 4 13.783 -0.511 14.392 1.00 0.00 H new ATOM 0 HH22 ARG A 4 14.814 0.306 15.572 1.00 0.00 H new ATOM 82 N VAL A 5 9.916 3.243 9.452 1.00 0.00 N ATOM 83 CA VAL A 5 9.211 4.551 9.345 1.00 0.00 C ATOM 84 C VAL A 5 7.977 4.543 10.248 1.00 0.00 C ATOM 85 O VAL A 5 7.177 3.629 10.212 1.00 0.00 O ATOM 86 CB VAL A 5 8.773 4.780 7.897 1.00 0.00 C ATOM 87 CG1 VAL A 5 9.960 4.554 6.959 1.00 0.00 C ATOM 88 CG2 VAL A 5 7.654 3.798 7.547 1.00 0.00 C ATOM 0 H VAL A 5 9.568 2.511 8.833 1.00 0.00 H new ATOM 0 HA VAL A 5 9.886 5.349 9.654 1.00 0.00 H new ATOM 0 HB VAL A 5 8.413 5.803 7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 5 9.646 4.718 5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 5 10.760 5.251 7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 5 10.322 3.532 7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.339 3.958 6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.017 2.777 7.661 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.807 3.959 8.214 1.00 0.00 H new ATOM 98 N ASP A 6 7.809 5.556 11.055 1.00 0.00 N ATOM 99 CA ASP A 6 6.615 5.599 11.951 1.00 0.00 C ATOM 100 C ASP A 6 5.505 6.408 11.275 1.00 0.00 C ATOM 101 O ASP A 6 5.579 7.615 11.169 1.00 0.00 O ATOM 102 CB ASP A 6 6.992 6.255 13.280 1.00 0.00 C ATOM 103 CG ASP A 6 5.941 5.910 14.338 1.00 0.00 C ATOM 104 OD1 ASP A 6 4.812 5.648 13.960 1.00 0.00 O ATOM 105 OD2 ASP A 6 6.285 5.915 15.508 1.00 0.00 O ATOM 0 H ASP A 6 8.442 6.352 11.133 1.00 0.00 H new ATOM 0 HA ASP A 6 6.264 4.584 12.139 1.00 0.00 H new ATOM 0 HB2 ASP A 6 7.974 5.909 13.602 1.00 0.00 H new ATOM 0 HB3 ASP A 6 7.059 7.336 13.158 1.00 0.00 H new ATOM 110 N ALA A 7 4.480 5.747 10.809 1.00 0.00 N ATOM 111 CA ALA A 7 3.369 6.465 10.128 1.00 0.00 C ATOM 112 C ALA A 7 2.348 6.951 11.158 1.00 0.00 C ATOM 113 O ALA A 7 2.149 8.135 11.346 1.00 0.00 O ATOM 114 CB ALA A 7 2.681 5.499 9.169 1.00 0.00 C ATOM 0 H ALA A 7 4.366 4.735 10.872 1.00 0.00 H new ATOM 0 HA ALA A 7 3.769 7.323 9.588 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.863 6.011 8.661 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.401 5.144 8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.287 4.650 9.728 1.00 0.00 H new ATOM 120 N ASP A 8 1.693 6.039 11.817 1.00 0.00 N ATOM 121 CA ASP A 8 0.677 6.428 12.830 1.00 0.00 C ATOM 122 C ASP A 8 1.239 7.542 13.706 1.00 0.00 C ATOM 123 O ASP A 8 0.511 8.348 14.252 1.00 0.00 O ATOM 124 CB ASP A 8 0.337 5.216 13.699 1.00 0.00 C ATOM 125 CG ASP A 8 1.620 4.452 14.033 1.00 0.00 C ATOM 126 OD1 ASP A 8 2.557 5.081 14.500 1.00 0.00 O ATOM 127 OD2 ASP A 8 1.645 3.251 13.818 1.00 0.00 O ATOM 0 H ASP A 8 1.819 5.034 11.696 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.225 6.779 12.329 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.156 5.539 14.616 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.361 4.564 13.175 1.00 0.00 H new ATOM 132 N ALA A 9 2.530 7.588 13.848 1.00 0.00 N ATOM 133 CA ALA A 9 3.150 8.643 14.691 1.00 0.00 C ATOM 134 C ALA A 9 3.436 9.884 13.841 1.00 0.00 C ATOM 135 O ALA A 9 3.308 11.002 14.299 1.00 0.00 O ATOM 136 CB ALA A 9 4.455 8.106 15.270 1.00 0.00 C ATOM 0 H ALA A 9 3.186 6.938 13.415 1.00 0.00 H new ATOM 0 HA ALA A 9 2.471 8.916 15.498 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.920 8.872 15.891 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.248 7.224 15.876 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.131 7.838 14.458 1.00 0.00 H new ATOM 142 N CYS A 10 3.820 9.698 12.607 1.00 0.00 N ATOM 143 CA CYS A 10 4.111 10.872 11.736 1.00 0.00 C ATOM 144 C CYS A 10 2.817 11.633 11.452 1.00 0.00 C ATOM 145 O CYS A 10 1.736 11.083 11.514 1.00 0.00 O ATOM 146 CB CYS A 10 4.720 10.401 10.415 1.00 0.00 C ATOM 147 SG CYS A 10 4.811 11.799 9.266 1.00 0.00 S ATOM 0 H CYS A 10 3.944 8.787 12.166 1.00 0.00 H new ATOM 0 HA CYS A 10 4.817 11.527 12.246 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.715 9.990 10.586 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.115 9.602 9.987 1.00 0.00 H new ATOM 152 N ILE A 11 2.918 12.895 11.133 1.00 0.00 N ATOM 153 CA ILE A 11 1.686 13.682 10.838 1.00 0.00 C ATOM 154 C ILE A 11 2.011 14.798 9.842 1.00 0.00 C ATOM 155 O ILE A 11 1.527 15.906 9.965 1.00 0.00 O ATOM 156 CB ILE A 11 1.148 14.293 12.133 1.00 0.00 C ATOM 157 CG1 ILE A 11 -0.261 14.841 11.889 1.00 0.00 C ATOM 158 CG2 ILE A 11 2.066 15.430 12.581 1.00 0.00 C ATOM 159 CD1 ILE A 11 -0.971 15.038 13.230 1.00 0.00 C ATOM 0 H ILE A 11 3.794 13.413 11.064 1.00 0.00 H new ATOM 0 HA ILE A 11 0.933 13.023 10.406 1.00 0.00 H new ATOM 0 HB ILE A 11 1.113 13.528 12.909 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.207 15.788 11.352 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.828 14.151 11.263 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.682 15.865 13.504 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.070 15.041 12.753 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.102 16.196 11.806 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.974 15.428 13.057 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.038 14.082 13.750 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.407 15.744 13.840 1.00 0.00 H new ATOM 171 N GLY A 12 2.823 14.511 8.855 1.00 0.00 N ATOM 172 CA GLY A 12 3.185 15.549 7.845 1.00 0.00 C ATOM 173 C GLY A 12 3.367 16.896 8.541 1.00 0.00 C ATOM 174 O GLY A 12 3.086 17.939 7.984 1.00 0.00 O ATOM 0 H GLY A 12 3.252 13.598 8.706 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.104 15.266 7.331 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.405 15.622 7.087 1.00 0.00 H new ATOM 178 N CYS A 13 3.819 16.880 9.765 1.00 0.00 N ATOM 179 CA CYS A 13 4.002 18.157 10.504 1.00 0.00 C ATOM 180 C CYS A 13 4.945 19.079 9.724 1.00 0.00 C ATOM 181 O CYS A 13 4.679 20.254 9.561 1.00 0.00 O ATOM 182 CB CYS A 13 4.539 17.860 11.911 1.00 0.00 C ATOM 183 SG CYS A 13 6.334 17.637 11.877 1.00 0.00 S ATOM 0 H CYS A 13 4.069 16.038 10.283 1.00 0.00 H new ATOM 0 HA CYS A 13 3.045 18.669 10.606 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.282 18.678 12.584 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.063 16.962 12.305 1.00 0.00 H new ATOM 188 N GLY A 14 6.032 18.560 9.223 1.00 0.00 N ATOM 189 CA GLY A 14 6.964 19.412 8.442 1.00 0.00 C ATOM 190 C GLY A 14 8.236 19.685 9.240 1.00 0.00 C ATOM 191 O GLY A 14 8.712 20.801 9.299 1.00 0.00 O ATOM 0 H GLY A 14 6.312 17.584 9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.216 18.919 7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.478 20.354 8.188 1.00 0.00 H new ATOM 195 N VAL A 15 8.806 18.676 9.841 1.00 0.00 N ATOM 196 CA VAL A 15 10.065 18.897 10.615 1.00 0.00 C ATOM 197 C VAL A 15 11.227 18.118 9.959 1.00 0.00 C ATOM 198 O VAL A 15 12.353 18.182 10.410 1.00 0.00 O ATOM 199 CB VAL A 15 9.865 18.449 12.071 1.00 0.00 C ATOM 200 CG1 VAL A 15 11.221 18.192 12.734 1.00 0.00 C ATOM 201 CG2 VAL A 15 9.131 19.553 12.838 1.00 0.00 C ATOM 0 H VAL A 15 8.460 17.716 9.831 1.00 0.00 H new ATOM 0 HA VAL A 15 10.313 19.958 10.609 1.00 0.00 H new ATOM 0 HB VAL A 15 9.281 17.529 12.086 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.067 17.875 13.766 1.00 0.00 H new ATOM 0 HG12 VAL A 15 11.750 17.410 12.189 1.00 0.00 H new ATOM 0 HG13 VAL A 15 11.812 19.108 12.720 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.985 19.242 13.873 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.723 20.468 12.814 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.162 19.736 12.374 1.00 0.00 H new ATOM 211 N CYS A 16 10.964 17.383 8.901 1.00 0.00 N ATOM 212 CA CYS A 16 12.066 16.605 8.234 1.00 0.00 C ATOM 213 C CYS A 16 12.641 17.364 7.020 1.00 0.00 C ATOM 214 O CYS A 16 13.760 17.842 7.069 1.00 0.00 O ATOM 215 CB CYS A 16 11.561 15.214 7.796 1.00 0.00 C ATOM 216 SG CYS A 16 9.858 15.278 7.176 1.00 0.00 S ATOM 0 H CYS A 16 10.043 17.287 8.472 1.00 0.00 H new ATOM 0 HA CYS A 16 12.865 16.480 8.964 1.00 0.00 H new ATOM 0 HB2 CYS A 16 12.215 14.818 7.020 1.00 0.00 H new ATOM 0 HB3 CYS A 16 11.615 14.526 8.640 1.00 0.00 H new ATOM 221 N GLU A 17 11.912 17.462 5.930 1.00 0.00 N ATOM 222 CA GLU A 17 12.444 18.179 4.721 1.00 0.00 C ATOM 223 C GLU A 17 13.262 19.394 5.158 1.00 0.00 C ATOM 224 O GLU A 17 14.420 19.538 4.823 1.00 0.00 O ATOM 225 CB GLU A 17 11.276 18.643 3.841 1.00 0.00 C ATOM 226 CG GLU A 17 10.089 19.053 4.718 1.00 0.00 C ATOM 227 CD GLU A 17 9.721 20.508 4.426 1.00 0.00 C ATOM 228 OE1 GLU A 17 10.603 21.348 4.500 1.00 0.00 O ATOM 229 OE2 GLU A 17 8.564 20.759 4.135 1.00 0.00 O ATOM 0 H GLU A 17 10.973 17.077 5.825 1.00 0.00 H new ATOM 0 HA GLU A 17 13.080 17.499 4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.588 19.484 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.979 17.842 3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.236 18.404 4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.343 18.935 5.771 1.00 0.00 H new ATOM 236 N ASN A 18 12.659 20.256 5.912 1.00 0.00 N ATOM 237 CA ASN A 18 13.354 21.471 6.407 1.00 0.00 C ATOM 238 C ASN A 18 14.799 21.164 6.817 1.00 0.00 C ATOM 239 O ASN A 18 15.726 21.796 6.353 1.00 0.00 O ATOM 240 CB ASN A 18 12.605 21.992 7.631 1.00 0.00 C ATOM 241 CG ASN A 18 11.961 20.821 8.374 1.00 0.00 C ATOM 242 OD1 ASN A 18 12.552 20.258 9.274 1.00 0.00 O ATOM 243 ND2 ASN A 18 10.764 20.427 8.034 1.00 0.00 N ATOM 0 H ASN A 18 11.689 20.170 6.215 1.00 0.00 H new ATOM 0 HA ASN A 18 13.372 22.209 5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.291 22.522 8.292 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.841 22.707 7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.325 19.647 8.524 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.267 20.899 7.279 1.00 0.00 H new ATOM 250 N LEU A 19 15.003 20.234 7.714 1.00 0.00 N ATOM 251 CA LEU A 19 16.385 19.949 8.170 1.00 0.00 C ATOM 252 C LEU A 19 17.257 19.478 7.014 1.00 0.00 C ATOM 253 O LEU A 19 18.368 19.941 6.848 1.00 0.00 O ATOM 254 CB LEU A 19 16.365 18.938 9.328 1.00 0.00 C ATOM 255 CG LEU A 19 16.266 17.515 8.868 1.00 0.00 C ATOM 256 CD1 LEU A 19 17.646 16.917 8.952 1.00 0.00 C ATOM 257 CD2 LEU A 19 15.325 16.749 9.802 1.00 0.00 C ATOM 0 H LEU A 19 14.274 19.666 8.145 1.00 0.00 H new ATOM 0 HA LEU A 19 16.829 20.872 8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 19 17.270 19.059 9.923 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.522 19.161 9.982 1.00 0.00 H new ATOM 0 HG LEU A 19 15.881 17.460 7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 19 17.613 15.878 8.624 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.326 17.479 8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.000 16.961 9.982 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.249 15.713 9.472 1.00 0.00 H new ATOM 0 HD22 LEU A 19 15.718 16.778 10.818 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.337 17.210 9.781 1.00 0.00 H new ATOM 269 N CYS A 20 16.826 18.519 6.259 1.00 0.00 N ATOM 270 CA CYS A 20 17.688 18.004 5.211 1.00 0.00 C ATOM 271 C CYS A 20 16.836 17.220 4.183 1.00 0.00 C ATOM 272 O CYS A 20 16.076 16.347 4.547 1.00 0.00 O ATOM 273 CB CYS A 20 18.674 17.082 5.906 1.00 0.00 C ATOM 274 SG CYS A 20 20.342 17.215 5.210 1.00 0.00 S ATOM 0 H CYS A 20 15.910 18.077 6.333 1.00 0.00 H new ATOM 0 HA CYS A 20 18.205 18.797 4.672 1.00 0.00 H new ATOM 0 HB2 CYS A 20 18.705 17.321 6.969 1.00 0.00 H new ATOM 0 HB3 CYS A 20 18.328 16.052 5.821 1.00 0.00 H new ATOM 279 N PRO A 21 16.990 17.559 2.945 1.00 0.00 N ATOM 280 CA PRO A 21 16.268 16.921 1.808 1.00 0.00 C ATOM 281 C PRO A 21 16.751 15.485 1.529 1.00 0.00 C ATOM 282 O PRO A 21 16.179 14.782 0.718 1.00 0.00 O ATOM 283 CB PRO A 21 16.671 17.804 0.625 1.00 0.00 C ATOM 284 CG PRO A 21 18.003 18.462 1.049 1.00 0.00 C ATOM 285 CD PRO A 21 17.909 18.622 2.553 1.00 0.00 C ATOM 0 HA PRO A 21 15.198 16.847 2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.794 17.214 -0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.909 18.555 0.416 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.854 17.840 0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 21 18.139 19.426 0.559 1.00 0.00 H new ATOM 0 HD2 PRO A 21 18.882 18.510 3.031 1.00 0.00 H new ATOM 0 HD3 PRO A 21 17.529 19.605 2.830 1.00 0.00 H new ATOM 293 N ASP A 22 17.822 15.067 2.138 1.00 0.00 N ATOM 294 CA ASP A 22 18.372 13.705 1.848 1.00 0.00 C ATOM 295 C ASP A 22 17.475 12.577 2.358 1.00 0.00 C ATOM 296 O ASP A 22 17.046 11.728 1.603 1.00 0.00 O ATOM 297 CB ASP A 22 19.750 13.584 2.493 1.00 0.00 C ATOM 298 CG ASP A 22 20.827 13.905 1.456 1.00 0.00 C ATOM 299 OD1 ASP A 22 20.912 15.054 1.056 1.00 0.00 O ATOM 300 OD2 ASP A 22 21.550 12.997 1.081 1.00 0.00 O ATOM 0 H ASP A 22 18.346 15.607 2.827 1.00 0.00 H new ATOM 0 HA ASP A 22 18.430 13.599 0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 22 19.829 14.267 3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 22 19.894 12.576 2.883 1.00 0.00 H new ATOM 305 N VAL A 23 17.249 12.513 3.629 1.00 0.00 N ATOM 306 CA VAL A 23 16.444 11.389 4.194 1.00 0.00 C ATOM 307 C VAL A 23 15.198 11.902 4.887 1.00 0.00 C ATOM 308 O VAL A 23 14.207 11.209 5.000 1.00 0.00 O ATOM 309 CB VAL A 23 17.344 10.705 5.196 1.00 0.00 C ATOM 310 CG1 VAL A 23 17.891 11.765 6.111 1.00 0.00 C ATOM 311 CG2 VAL A 23 16.606 9.652 6.035 1.00 0.00 C ATOM 0 H VAL A 23 17.585 13.191 4.313 1.00 0.00 H new ATOM 0 HA VAL A 23 16.113 10.712 3.407 1.00 0.00 H new ATOM 0 HB VAL A 23 18.132 10.183 4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 23 18.547 11.305 6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.455 12.493 5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 23 17.068 12.267 6.620 1.00 0.00 H new ATOM 0 HG21 VAL A 23 17.302 9.193 6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.795 10.129 6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.196 8.885 5.378 1.00 0.00 H new ATOM 321 N PHE A 24 15.228 13.108 5.343 1.00 0.00 N ATOM 322 CA PHE A 24 14.028 13.649 6.015 1.00 0.00 C ATOM 323 C PHE A 24 13.256 14.497 5.012 1.00 0.00 C ATOM 324 O PHE A 24 13.493 15.677 4.882 1.00 0.00 O ATOM 325 CB PHE A 24 14.407 14.523 7.217 1.00 0.00 C ATOM 326 CG PHE A 24 15.810 14.256 7.710 1.00 0.00 C ATOM 327 CD1 PHE A 24 16.917 14.700 6.979 1.00 0.00 C ATOM 328 CD2 PHE A 24 16.012 13.626 8.942 1.00 0.00 C ATOM 329 CE1 PHE A 24 18.192 14.508 7.469 1.00 0.00 C ATOM 330 CE2 PHE A 24 17.291 13.453 9.425 1.00 0.00 C ATOM 331 CZ PHE A 24 18.379 13.899 8.685 1.00 0.00 C ATOM 0 H PHE A 24 16.025 13.742 5.282 1.00 0.00 H new ATOM 0 HA PHE A 24 13.423 12.817 6.375 1.00 0.00 H new ATOM 0 HB2 PHE A 24 14.317 15.573 6.941 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.701 14.345 8.028 1.00 0.00 H new ATOM 0 HD1 PHE A 24 16.773 15.194 6.029 1.00 0.00 H new ATOM 0 HD2 PHE A 24 15.166 13.275 9.515 1.00 0.00 H new ATOM 0 HE1 PHE A 24 19.045 14.838 6.895 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.448 12.971 10.379 1.00 0.00 H new ATOM 0 HZ PHE A 24 19.379 13.766 9.069 1.00 0.00 H new ATOM 341 N GLN A 25 12.339 13.909 4.295 1.00 0.00 N ATOM 342 CA GLN A 25 11.563 14.690 3.300 1.00 0.00 C ATOM 343 C GLN A 25 10.068 14.431 3.507 1.00 0.00 C ATOM 344 O GLN A 25 9.606 14.261 4.619 1.00 0.00 O ATOM 345 CB GLN A 25 11.981 14.257 1.894 1.00 0.00 C ATOM 346 CG GLN A 25 12.046 15.482 0.981 1.00 0.00 C ATOM 347 CD GLN A 25 12.359 15.038 -0.449 1.00 0.00 C ATOM 348 OE1 GLN A 25 11.589 15.285 -1.356 1.00 0.00 O ATOM 349 NE2 GLN A 25 13.465 14.389 -0.693 1.00 0.00 N ATOM 0 H GLN A 25 12.096 12.920 4.357 1.00 0.00 H new ATOM 0 HA GLN A 25 11.759 15.755 3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 25 12.952 13.763 1.928 1.00 0.00 H new ATOM 0 HB3 GLN A 25 11.269 13.533 1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.098 16.019 1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.812 16.172 1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 25 14.112 14.181 0.067 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.682 14.090 -1.644 1.00 0.00 H new ATOM 358 N LEU A 26 9.308 14.399 2.449 1.00 0.00 N ATOM 359 CA LEU A 26 7.845 14.151 2.587 1.00 0.00 C ATOM 360 C LEU A 26 7.383 13.202 1.481 1.00 0.00 C ATOM 361 O LEU A 26 8.135 12.856 0.591 1.00 0.00 O ATOM 362 CB LEU A 26 7.087 15.476 2.471 1.00 0.00 C ATOM 363 CG LEU A 26 7.633 16.279 1.290 1.00 0.00 C ATOM 364 CD1 LEU A 26 6.873 15.899 0.018 1.00 0.00 C ATOM 365 CD2 LEU A 26 7.453 17.774 1.565 1.00 0.00 C ATOM 0 H LEU A 26 9.637 14.534 1.493 1.00 0.00 H new ATOM 0 HA LEU A 26 7.644 13.702 3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.022 15.286 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.192 16.049 3.393 1.00 0.00 H new ATOM 0 HG LEU A 26 8.692 16.058 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.263 16.472 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.000 14.834 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.813 16.120 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.842 18.348 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.394 17.995 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.995 18.045 2.471 1.00 0.00 H new ATOM 377 N GLY A 27 6.150 12.777 1.529 1.00 0.00 N ATOM 378 CA GLY A 27 5.642 11.851 0.478 1.00 0.00 C ATOM 379 C GLY A 27 4.480 12.511 -0.265 1.00 0.00 C ATOM 380 O GLY A 27 3.812 13.382 0.255 1.00 0.00 O ATOM 0 H GLY A 27 5.474 13.031 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.441 11.604 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.314 10.915 0.931 1.00 0.00 H new ATOM 384 N ASP A 28 4.232 12.102 -1.479 1.00 0.00 N ATOM 385 CA ASP A 28 3.111 12.706 -2.254 1.00 0.00 C ATOM 386 C ASP A 28 1.783 12.392 -1.563 1.00 0.00 C ATOM 387 O ASP A 28 0.909 13.231 -1.470 1.00 0.00 O ATOM 388 CB ASP A 28 3.100 12.123 -3.667 1.00 0.00 C ATOM 389 CG ASP A 28 2.611 13.183 -4.655 1.00 0.00 C ATOM 390 OD1 ASP A 28 1.770 13.979 -4.272 1.00 0.00 O ATOM 391 OD2 ASP A 28 3.087 13.182 -5.779 1.00 0.00 O ATOM 0 H ASP A 28 4.757 11.376 -1.968 1.00 0.00 H new ATOM 0 HA ASP A 28 3.245 13.786 -2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.101 11.789 -3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.451 11.248 -3.705 1.00 0.00 H new ATOM 396 N ASP A 29 1.624 11.191 -1.077 1.00 0.00 N ATOM 397 CA ASP A 29 0.357 10.827 -0.395 1.00 0.00 C ATOM 398 C ASP A 29 0.200 11.664 0.875 1.00 0.00 C ATOM 399 O ASP A 29 -0.861 11.721 1.465 1.00 0.00 O ATOM 400 CB ASP A 29 0.378 9.340 -0.033 1.00 0.00 C ATOM 401 CG ASP A 29 -0.645 8.591 -0.891 1.00 0.00 C ATOM 402 OD1 ASP A 29 -1.737 9.107 -1.061 1.00 0.00 O ATOM 403 OD2 ASP A 29 -0.317 7.515 -1.365 1.00 0.00 O ATOM 0 H ASP A 29 2.320 10.447 -1.125 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.482 11.023 -1.062 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.375 8.929 -0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.147 9.209 1.024 1.00 0.00 H new ATOM 408 N GLY A 30 1.247 12.314 1.302 1.00 0.00 N ATOM 409 CA GLY A 30 1.155 13.147 2.536 1.00 0.00 C ATOM 410 C GLY A 30 1.989 12.505 3.646 1.00 0.00 C ATOM 411 O GLY A 30 2.654 13.179 4.407 1.00 0.00 O ATOM 0 H GLY A 30 2.162 12.305 0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.514 14.156 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.115 13.235 2.852 1.00 0.00 H new ATOM 415 N LYS A 31 1.959 11.203 3.741 1.00 0.00 N ATOM 416 CA LYS A 31 2.748 10.513 4.801 1.00 0.00 C ATOM 417 C LYS A 31 4.216 10.932 4.698 1.00 0.00 C ATOM 418 O LYS A 31 4.858 10.734 3.685 1.00 0.00 O ATOM 419 CB LYS A 31 2.635 8.999 4.608 1.00 0.00 C ATOM 420 CG LYS A 31 3.319 8.281 5.772 1.00 0.00 C ATOM 421 CD LYS A 31 3.996 7.008 5.259 1.00 0.00 C ATOM 422 CE LYS A 31 3.006 5.843 5.310 1.00 0.00 C ATOM 423 NZ LYS A 31 1.966 6.027 4.258 1.00 0.00 N ATOM 0 H LYS A 31 1.422 10.587 3.130 1.00 0.00 H new ATOM 0 HA LYS A 31 2.361 10.787 5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.586 8.707 4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.097 8.707 3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.057 8.937 6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.587 8.032 6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.346 7.157 4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.872 6.780 5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.530 4.900 5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.539 5.792 6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.665 5.098 3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.147 6.525 4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.359 6.587 3.475 1.00 0.00 H new ATOM 437 N ALA A 32 4.753 11.514 5.736 1.00 0.00 N ATOM 438 CA ALA A 32 6.179 11.945 5.692 1.00 0.00 C ATOM 439 C ALA A 32 7.067 10.851 6.289 1.00 0.00 C ATOM 440 O ALA A 32 7.527 10.953 7.409 1.00 0.00 O ATOM 441 CB ALA A 32 6.348 13.235 6.497 1.00 0.00 C ATOM 0 H ALA A 32 4.267 11.709 6.611 1.00 0.00 H new ATOM 0 HA ALA A 32 6.470 12.121 4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.391 13.550 6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.720 14.016 6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.054 13.059 7.532 1.00 0.00 H new ATOM 447 N LYS A 33 7.314 9.808 5.546 1.00 0.00 N ATOM 448 CA LYS A 33 8.179 8.708 6.065 1.00 0.00 C ATOM 449 C LYS A 33 9.624 8.965 5.636 1.00 0.00 C ATOM 450 O LYS A 33 9.918 9.940 4.974 1.00 0.00 O ATOM 451 CB LYS A 33 7.705 7.370 5.493 1.00 0.00 C ATOM 452 CG LYS A 33 7.342 7.545 4.016 1.00 0.00 C ATOM 453 CD LYS A 33 7.318 6.179 3.328 1.00 0.00 C ATOM 454 CE LYS A 33 6.908 6.353 1.863 1.00 0.00 C ATOM 455 NZ LYS A 33 7.915 7.200 1.162 1.00 0.00 N ATOM 0 H LYS A 33 6.955 9.668 4.602 1.00 0.00 H new ATOM 0 HA LYS A 33 8.119 8.675 7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.488 6.619 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.840 7.010 6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.368 8.026 3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.067 8.197 3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.301 5.712 3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.618 5.516 3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.834 5.380 1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.923 6.815 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.831 7.061 0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.747 8.200 1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.871 6.930 1.470 1.00 0.00 H new ATOM 469 N VAL A 34 10.533 8.102 6.002 1.00 0.00 N ATOM 470 CA VAL A 34 11.951 8.317 5.603 1.00 0.00 C ATOM 471 C VAL A 34 12.120 8.033 4.116 1.00 0.00 C ATOM 472 O VAL A 34 11.500 7.146 3.564 1.00 0.00 O ATOM 473 CB VAL A 34 12.876 7.390 6.379 1.00 0.00 C ATOM 474 CG1 VAL A 34 12.646 5.952 5.955 1.00 0.00 C ATOM 475 CG2 VAL A 34 14.306 7.755 6.043 1.00 0.00 C ATOM 0 H VAL A 34 10.356 7.264 6.556 1.00 0.00 H new ATOM 0 HA VAL A 34 12.209 9.353 5.822 1.00 0.00 H new ATOM 0 HB VAL A 34 12.680 7.493 7.446 1.00 0.00 H new ATOM 0 HG11 VAL A 34 13.312 5.296 6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.611 5.675 6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.849 5.850 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.986 7.102 6.589 1.00 0.00 H new ATOM 0 HG22 VAL A 34 14.470 7.635 4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.493 8.791 6.325 1.00 0.00 H new ATOM 485 N LEU A 35 12.970 8.774 3.470 1.00 0.00 N ATOM 486 CA LEU A 35 13.214 8.566 2.040 1.00 0.00 C ATOM 487 C LEU A 35 14.551 7.852 1.929 1.00 0.00 C ATOM 488 O LEU A 35 14.756 6.979 1.110 1.00 0.00 O ATOM 489 CB LEU A 35 13.247 9.960 1.424 1.00 0.00 C ATOM 490 CG LEU A 35 14.659 10.381 1.057 1.00 0.00 C ATOM 491 CD1 LEU A 35 15.126 9.593 -0.164 1.00 0.00 C ATOM 492 CD2 LEU A 35 14.653 11.877 0.754 1.00 0.00 C ATOM 0 H LEU A 35 13.512 9.528 3.891 1.00 0.00 H new ATOM 0 HA LEU A 35 12.461 7.965 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.619 9.979 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.825 10.678 2.127 1.00 0.00 H new ATOM 0 HG LEU A 35 15.343 10.178 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.140 9.896 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 35 15.113 8.527 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.459 9.792 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.660 12.198 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.977 12.077 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.318 12.425 1.634 1.00 0.00 H new ATOM 504 N GLN A 36 15.457 8.234 2.778 1.00 0.00 N ATOM 505 CA GLN A 36 16.805 7.595 2.771 1.00 0.00 C ATOM 506 C GLN A 36 16.866 6.508 3.854 1.00 0.00 C ATOM 507 O GLN A 36 16.240 6.620 4.884 1.00 0.00 O ATOM 508 CB GLN A 36 17.901 8.630 3.034 1.00 0.00 C ATOM 509 CG GLN A 36 18.923 8.591 1.899 1.00 0.00 C ATOM 510 CD GLN A 36 18.667 9.756 0.941 1.00 0.00 C ATOM 511 OE1 GLN A 36 17.858 9.651 0.040 1.00 0.00 O ATOM 512 NE2 GLN A 36 19.325 10.873 1.099 1.00 0.00 N ATOM 0 H GLN A 36 15.326 8.963 3.480 1.00 0.00 H new ATOM 0 HA GLN A 36 16.970 7.153 1.788 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.465 9.626 3.110 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.391 8.423 3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.933 8.654 2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 36 18.852 7.644 1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.004 10.962 1.855 1.00 0.00 H new ATOM 0 HE22 GLN A 36 19.160 11.656 0.467 1.00 0.00 H new ATOM 521 N PRO A 37 17.621 5.484 3.575 1.00 0.00 N ATOM 522 CA PRO A 37 17.798 4.339 4.485 1.00 0.00 C ATOM 523 C PRO A 37 18.872 4.635 5.521 1.00 0.00 C ATOM 524 O PRO A 37 18.591 4.979 6.651 1.00 0.00 O ATOM 525 CB PRO A 37 18.274 3.222 3.555 1.00 0.00 C ATOM 526 CG PRO A 37 18.907 3.926 2.326 1.00 0.00 C ATOM 527 CD PRO A 37 18.371 5.371 2.321 1.00 0.00 C ATOM 0 HA PRO A 37 16.890 4.095 5.036 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.001 2.582 4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.443 2.585 3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.995 3.917 2.392 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.639 3.410 1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.183 6.096 2.277 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.732 5.555 1.457 1.00 0.00 H new ATOM 535 N GLU A 38 20.106 4.510 5.134 1.00 0.00 N ATOM 536 CA GLU A 38 21.208 4.786 6.082 1.00 0.00 C ATOM 537 C GLU A 38 21.546 6.268 6.013 1.00 0.00 C ATOM 538 O GLU A 38 22.662 6.647 5.714 1.00 0.00 O ATOM 539 CB GLU A 38 22.437 3.958 5.706 1.00 0.00 C ATOM 540 CG GLU A 38 22.480 2.690 6.559 1.00 0.00 C ATOM 541 CD GLU A 38 21.509 1.655 5.988 1.00 0.00 C ATOM 542 OE1 GLU A 38 21.618 1.357 4.810 1.00 0.00 O ATOM 543 OE2 GLU A 38 20.674 1.178 6.738 1.00 0.00 O ATOM 0 H GLU A 38 20.398 4.227 4.198 1.00 0.00 H new ATOM 0 HA GLU A 38 20.903 4.519 7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.402 3.696 4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 38 23.344 4.543 5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.492 2.284 6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 38 22.214 2.924 7.590 1.00 0.00 H new ATOM 550 N THR A 39 20.602 7.117 6.321 1.00 0.00 N ATOM 551 CA THR A 39 20.911 8.576 6.300 1.00 0.00 C ATOM 552 C THR A 39 22.077 8.859 7.244 1.00 0.00 C ATOM 553 O THR A 39 21.904 9.015 8.438 1.00 0.00 O ATOM 554 CB THR A 39 19.705 9.382 6.753 1.00 0.00 C ATOM 555 OG1 THR A 39 20.098 10.732 6.924 1.00 0.00 O ATOM 556 CG2 THR A 39 19.183 8.825 8.077 1.00 0.00 C ATOM 0 H THR A 39 19.647 6.870 6.582 1.00 0.00 H new ATOM 0 HA THR A 39 21.171 8.863 5.281 1.00 0.00 H new ATOM 0 HB THR A 39 18.914 9.319 6.006 1.00 0.00 H new ATOM 0 HG1 THR A 39 20.534 10.838 7.795 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.318 9.405 8.400 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.892 7.783 7.944 1.00 0.00 H new ATOM 0 HG23 THR A 39 19.966 8.890 8.833 1.00 0.00 H new ATOM 564 N ASP A 40 23.262 8.945 6.710 1.00 0.00 N ATOM 565 CA ASP A 40 24.442 9.238 7.561 1.00 0.00 C ATOM 566 C ASP A 40 24.657 10.750 7.611 1.00 0.00 C ATOM 567 O ASP A 40 25.445 11.249 8.392 1.00 0.00 O ATOM 568 CB ASP A 40 25.674 8.566 6.974 1.00 0.00 C ATOM 569 CG ASP A 40 26.292 7.629 8.014 1.00 0.00 C ATOM 570 OD1 ASP A 40 27.012 8.117 8.870 1.00 0.00 O ATOM 571 OD2 ASP A 40 26.036 6.439 7.937 1.00 0.00 O ATOM 0 H ASP A 40 23.463 8.824 5.717 1.00 0.00 H new ATOM 0 HA ASP A 40 24.273 8.857 8.568 1.00 0.00 H new ATOM 0 HB2 ASP A 40 25.403 8.005 6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 40 26.401 9.319 6.670 1.00 0.00 H new ATOM 576 N LEU A 41 23.964 11.487 6.777 1.00 0.00 N ATOM 577 CA LEU A 41 24.137 12.966 6.776 1.00 0.00 C ATOM 578 C LEU A 41 24.201 13.479 8.214 1.00 0.00 C ATOM 579 O LEU A 41 23.764 12.816 9.134 1.00 0.00 O ATOM 580 CB LEU A 41 22.973 13.660 6.041 1.00 0.00 C ATOM 581 CG LEU A 41 21.641 12.952 6.318 1.00 0.00 C ATOM 582 CD1 LEU A 41 21.129 13.261 7.717 1.00 0.00 C ATOM 583 CD2 LEU A 41 20.585 13.439 5.334 1.00 0.00 C ATOM 0 H LEU A 41 23.290 11.127 6.101 1.00 0.00 H new ATOM 0 HA LEU A 41 25.066 13.198 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 41 22.908 14.701 6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 41 23.169 13.666 4.969 1.00 0.00 H new ATOM 0 HG LEU A 41 21.816 11.881 6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 41 20.184 12.744 7.881 1.00 0.00 H new ATOM 0 HD12 LEU A 41 21.859 12.925 8.454 1.00 0.00 H new ATOM 0 HD13 LEU A 41 20.977 14.335 7.820 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.640 12.933 5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 41 20.452 14.515 5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 41 20.906 13.217 4.316 1.00 0.00 H new ATOM 595 N PRO A 42 24.746 14.655 8.359 1.00 0.00 N ATOM 596 CA PRO A 42 24.880 15.309 9.667 1.00 0.00 C ATOM 597 C PRO A 42 23.558 15.980 10.035 1.00 0.00 C ATOM 598 O PRO A 42 23.460 16.678 11.025 1.00 0.00 O ATOM 599 CB PRO A 42 25.958 16.368 9.427 1.00 0.00 C ATOM 600 CG PRO A 42 25.951 16.653 7.906 1.00 0.00 C ATOM 601 CD PRO A 42 25.289 15.439 7.233 1.00 0.00 C ATOM 0 HA PRO A 42 25.133 14.622 10.475 1.00 0.00 H new ATOM 0 HB2 PRO A 42 25.746 17.275 9.994 1.00 0.00 H new ATOM 0 HB3 PRO A 42 26.935 16.010 9.752 1.00 0.00 H new ATOM 0 HG2 PRO A 42 25.399 17.567 7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 42 26.966 16.796 7.534 1.00 0.00 H new ATOM 0 HD2 PRO A 42 24.502 15.745 6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 42 26.010 14.861 6.656 1.00 0.00 H new ATOM 609 N CYS A 43 22.544 15.798 9.229 1.00 0.00 N ATOM 610 CA CYS A 43 21.243 16.458 9.533 1.00 0.00 C ATOM 611 C CYS A 43 20.327 15.541 10.358 1.00 0.00 C ATOM 612 O CYS A 43 19.339 15.994 10.899 1.00 0.00 O ATOM 613 CB CYS A 43 20.500 16.845 8.244 1.00 0.00 C ATOM 614 SG CYS A 43 21.574 16.785 6.776 1.00 0.00 S ATOM 0 H CYS A 43 22.561 15.228 8.384 1.00 0.00 H new ATOM 0 HA CYS A 43 21.478 17.354 10.108 1.00 0.00 H new ATOM 0 HB2 CYS A 43 19.655 16.172 8.100 1.00 0.00 H new ATOM 0 HB3 CYS A 43 20.092 17.850 8.351 1.00 0.00 H new ATOM 619 N ALA A 44 20.601 14.262 10.449 1.00 0.00 N ATOM 620 CA ALA A 44 19.673 13.390 11.223 1.00 0.00 C ATOM 621 C ALA A 44 20.154 13.265 12.660 1.00 0.00 C ATOM 622 O ALA A 44 19.483 12.703 13.504 1.00 0.00 O ATOM 623 CB ALA A 44 19.551 12.015 10.546 1.00 0.00 C ATOM 0 H ALA A 44 21.407 13.796 10.031 1.00 0.00 H new ATOM 0 HA ALA A 44 18.681 13.842 11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 44 18.871 11.386 11.120 1.00 0.00 H new ATOM 0 HB2 ALA A 44 19.164 12.140 9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 44 20.532 11.543 10.503 1.00 0.00 H new ATOM 629 N LYS A 45 21.278 13.841 12.963 1.00 0.00 N ATOM 630 CA LYS A 45 21.765 13.821 14.341 1.00 0.00 C ATOM 631 C LYS A 45 20.809 14.684 15.131 1.00 0.00 C ATOM 632 O LYS A 45 20.362 14.353 16.211 1.00 0.00 O ATOM 633 CB LYS A 45 23.129 14.464 14.347 1.00 0.00 C ATOM 634 CG LYS A 45 24.102 13.632 15.185 1.00 0.00 C ATOM 635 CD LYS A 45 24.879 14.552 16.129 1.00 0.00 C ATOM 636 CE LYS A 45 26.362 14.175 16.101 1.00 0.00 C ATOM 637 NZ LYS A 45 26.744 13.555 17.400 1.00 0.00 N ATOM 0 H LYS A 45 21.879 14.328 12.298 1.00 0.00 H new ATOM 0 HA LYS A 45 21.826 12.815 14.755 1.00 0.00 H new ATOM 0 HB2 LYS A 45 23.501 14.554 13.326 1.00 0.00 H new ATOM 0 HB3 LYS A 45 23.061 15.474 14.751 1.00 0.00 H new ATOM 0 HG2 LYS A 45 23.556 12.883 15.758 1.00 0.00 H new ATOM 0 HG3 LYS A 45 24.792 13.095 14.534 1.00 0.00 H new ATOM 0 HD2 LYS A 45 24.751 15.592 15.828 1.00 0.00 H new ATOM 0 HD3 LYS A 45 24.489 14.464 17.143 1.00 0.00 H new ATOM 0 HE2 LYS A 45 26.556 13.480 15.284 1.00 0.00 H new ATOM 0 HE3 LYS A 45 26.970 15.061 15.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 27.752 13.299 17.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 26.574 14.232 18.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 26.173 12.700 17.558 1.00 0.00 H new ATOM 651 N ASP A 46 20.488 15.799 14.549 1.00 0.00 N ATOM 652 CA ASP A 46 19.546 16.744 15.180 1.00 0.00 C ATOM 653 C ASP A 46 18.118 16.337 14.822 1.00 0.00 C ATOM 654 O ASP A 46 17.196 16.524 15.589 1.00 0.00 O ATOM 655 CB ASP A 46 19.816 18.153 14.678 1.00 0.00 C ATOM 656 CG ASP A 46 20.166 19.058 15.861 1.00 0.00 C ATOM 657 OD1 ASP A 46 21.240 18.888 16.413 1.00 0.00 O ATOM 658 OD2 ASP A 46 19.353 19.903 16.196 1.00 0.00 O ATOM 0 H ASP A 46 20.849 16.098 13.643 1.00 0.00 H new ATOM 0 HA ASP A 46 19.676 16.722 16.262 1.00 0.00 H new ATOM 0 HB2 ASP A 46 20.635 18.144 13.959 1.00 0.00 H new ATOM 0 HB3 ASP A 46 18.940 18.539 14.158 1.00 0.00 H new ATOM 663 N ALA A 47 17.932 15.774 13.656 1.00 0.00 N ATOM 664 CA ALA A 47 16.567 15.346 13.244 1.00 0.00 C ATOM 665 C ALA A 47 16.020 14.364 14.278 1.00 0.00 C ATOM 666 O ALA A 47 14.826 14.265 14.483 1.00 0.00 O ATOM 667 CB ALA A 47 16.631 14.662 11.881 1.00 0.00 C ATOM 0 H ALA A 47 18.668 15.593 12.973 1.00 0.00 H new ATOM 0 HA ALA A 47 15.916 16.217 13.178 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.630 14.350 11.583 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.029 15.358 11.143 1.00 0.00 H new ATOM 0 HB3 ALA A 47 17.280 13.788 11.942 1.00 0.00 H new ATOM 673 N ALA A 48 16.884 13.637 14.937 1.00 0.00 N ATOM 674 CA ALA A 48 16.410 12.669 15.960 1.00 0.00 C ATOM 675 C ALA A 48 15.687 13.438 17.062 1.00 0.00 C ATOM 676 O ALA A 48 14.581 13.112 17.442 1.00 0.00 O ATOM 677 CB ALA A 48 17.611 11.931 16.550 1.00 0.00 C ATOM 0 H ALA A 48 17.895 13.674 14.809 1.00 0.00 H new ATOM 0 HA ALA A 48 15.731 11.946 15.508 1.00 0.00 H new ATOM 0 HB1 ALA A 48 17.268 11.220 17.301 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.135 11.397 15.757 1.00 0.00 H new ATOM 0 HB3 ALA A 48 18.288 12.649 17.013 1.00 0.00 H new ATOM 683 N ASP A 49 16.307 14.464 17.574 1.00 0.00 N ATOM 684 CA ASP A 49 15.665 15.265 18.644 1.00 0.00 C ATOM 685 C ASP A 49 14.519 16.080 18.044 1.00 0.00 C ATOM 686 O ASP A 49 13.618 16.508 18.737 1.00 0.00 O ATOM 687 CB ASP A 49 16.697 16.209 19.265 1.00 0.00 C ATOM 688 CG ASP A 49 15.991 17.192 20.201 1.00 0.00 C ATOM 689 OD1 ASP A 49 15.440 16.743 21.192 1.00 0.00 O ATOM 690 OD2 ASP A 49 16.015 18.377 19.911 1.00 0.00 O ATOM 0 H ASP A 49 17.235 14.781 17.294 1.00 0.00 H new ATOM 0 HA ASP A 49 15.275 14.601 19.415 1.00 0.00 H new ATOM 0 HB2 ASP A 49 17.443 15.637 19.817 1.00 0.00 H new ATOM 0 HB3 ASP A 49 17.226 16.752 18.482 1.00 0.00 H new ATOM 695 N SER A 50 14.548 16.293 16.756 1.00 0.00 N ATOM 696 CA SER A 50 13.463 17.078 16.102 1.00 0.00 C ATOM 697 C SER A 50 12.252 16.174 15.876 1.00 0.00 C ATOM 698 O SER A 50 11.382 16.074 16.718 1.00 0.00 O ATOM 699 CB SER A 50 13.962 17.614 14.760 1.00 0.00 C ATOM 700 OG SER A 50 14.693 18.812 14.977 1.00 0.00 O ATOM 0 H SER A 50 15.278 15.956 16.128 1.00 0.00 H new ATOM 0 HA SER A 50 13.178 17.914 16.741 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.594 16.872 14.271 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.120 17.804 14.095 1.00 0.00 H new ATOM 0 HG SER A 50 15.016 19.158 14.119 1.00 0.00 H new ATOM 706 N CYS A 51 12.191 15.512 14.747 1.00 0.00 N ATOM 707 CA CYS A 51 11.038 14.606 14.463 1.00 0.00 C ATOM 708 C CYS A 51 10.663 13.849 15.741 1.00 0.00 C ATOM 709 O CYS A 51 11.300 12.874 16.088 1.00 0.00 O ATOM 710 CB CYS A 51 11.432 13.602 13.371 1.00 0.00 C ATOM 711 SG CYS A 51 10.031 12.505 13.001 1.00 0.00 S ATOM 0 H CYS A 51 12.893 15.561 14.008 1.00 0.00 H new ATOM 0 HA CYS A 51 10.186 15.195 14.123 1.00 0.00 H new ATOM 0 HB2 CYS A 51 11.736 14.134 12.469 1.00 0.00 H new ATOM 0 HB3 CYS A 51 12.289 13.013 13.699 1.00 0.00 H new ATOM 716 N PRO A 52 9.643 14.328 16.412 1.00 0.00 N ATOM 717 CA PRO A 52 9.166 13.718 17.665 1.00 0.00 C ATOM 718 C PRO A 52 8.349 12.464 17.356 1.00 0.00 C ATOM 719 O PRO A 52 7.917 11.755 18.243 1.00 0.00 O ATOM 720 CB PRO A 52 8.288 14.807 18.285 1.00 0.00 C ATOM 721 CG PRO A 52 7.854 15.733 17.123 1.00 0.00 C ATOM 722 CD PRO A 52 8.866 15.511 15.983 1.00 0.00 C ATOM 0 HA PRO A 52 9.971 13.405 18.330 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.420 14.371 18.779 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.839 15.366 19.042 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.842 15.495 16.795 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.849 16.776 17.440 1.00 0.00 H new ATOM 0 HD2 PRO A 52 8.363 15.333 15.033 1.00 0.00 H new ATOM 0 HD3 PRO A 52 9.508 16.381 15.846 1.00 0.00 H new ATOM 730 N THR A 53 8.136 12.186 16.100 1.00 0.00 N ATOM 731 CA THR A 53 7.351 10.984 15.724 1.00 0.00 C ATOM 732 C THR A 53 8.268 9.778 15.625 1.00 0.00 C ATOM 733 O THR A 53 7.853 8.737 15.155 1.00 0.00 O ATOM 734 CB THR A 53 6.646 11.232 14.391 1.00 0.00 C ATOM 735 OG1 THR A 53 7.607 11.331 13.351 1.00 0.00 O ATOM 736 CG2 THR A 53 5.849 12.534 14.491 1.00 0.00 C ATOM 0 H THR A 53 8.475 12.744 15.316 1.00 0.00 H new ATOM 0 HA THR A 53 6.600 10.785 16.489 1.00 0.00 H new ATOM 0 HB THR A 53 5.973 10.405 14.167 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.278 12.005 13.588 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.341 12.723 13.546 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.111 12.449 15.289 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.526 13.359 14.710 1.00 0.00 H new ATOM 744 N GLY A 54 9.512 9.900 16.066 1.00 0.00 N ATOM 745 CA GLY A 54 10.459 8.739 15.984 1.00 0.00 C ATOM 746 C GLY A 54 10.116 7.979 14.717 1.00 0.00 C ATOM 747 O GLY A 54 9.954 6.776 14.704 1.00 0.00 O ATOM 0 H GLY A 54 9.903 10.749 16.475 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.492 9.085 15.959 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.359 8.096 16.859 1.00 0.00 H new ATOM 751 N ALA A 55 9.941 8.715 13.661 1.00 0.00 N ATOM 752 CA ALA A 55 9.531 8.104 12.382 1.00 0.00 C ATOM 753 C ALA A 55 10.759 7.702 11.553 1.00 0.00 C ATOM 754 O ALA A 55 10.641 7.033 10.548 1.00 0.00 O ATOM 755 CB ALA A 55 8.633 9.112 11.665 1.00 0.00 C ATOM 0 H ALA A 55 10.067 9.727 13.634 1.00 0.00 H new ATOM 0 HA ALA A 55 8.974 7.181 12.544 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.308 8.696 10.711 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.761 9.327 12.283 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.189 10.033 11.488 1.00 0.00 H new ATOM 761 N ILE A 56 11.933 8.044 12.011 1.00 0.00 N ATOM 762 CA ILE A 56 13.176 7.642 11.338 1.00 0.00 C ATOM 763 C ILE A 56 13.959 6.861 12.388 1.00 0.00 C ATOM 764 O ILE A 56 14.842 7.387 13.035 1.00 0.00 O ATOM 765 CB ILE A 56 13.946 8.882 10.920 1.00 0.00 C ATOM 766 CG1 ILE A 56 13.886 9.924 12.028 1.00 0.00 C ATOM 767 CG2 ILE A 56 13.323 9.450 9.648 1.00 0.00 C ATOM 768 CD1 ILE A 56 14.469 11.223 11.496 1.00 0.00 C ATOM 0 H ILE A 56 12.073 8.604 12.852 1.00 0.00 H new ATOM 0 HA ILE A 56 12.996 7.048 10.442 1.00 0.00 H new ATOM 0 HB ILE A 56 14.988 8.620 10.735 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.856 10.075 12.352 1.00 0.00 H new ATOM 0 HG13 ILE A 56 14.447 9.585 12.899 1.00 0.00 H new ATOM 0 HG21 ILE A 56 13.871 10.341 9.341 1.00 0.00 H new ATOM 0 HG22 ILE A 56 13.371 8.704 8.855 1.00 0.00 H new ATOM 0 HG23 ILE A 56 12.282 9.711 9.838 1.00 0.00 H new ATOM 0 HD11 ILE A 56 14.435 11.983 12.276 1.00 0.00 H new ATOM 0 HD12 ILE A 56 15.503 11.060 11.193 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.887 11.558 10.637 1.00 0.00 H new ATOM 780 N SER A 57 13.616 5.617 12.593 1.00 0.00 N ATOM 781 CA SER A 57 14.311 4.827 13.633 1.00 0.00 C ATOM 782 C SER A 57 15.547 4.157 13.057 1.00 0.00 C ATOM 783 O SER A 57 15.480 3.386 12.124 1.00 0.00 O ATOM 784 CB SER A 57 13.369 3.782 14.226 1.00 0.00 C ATOM 785 OG SER A 57 13.342 3.925 15.641 1.00 0.00 O ATOM 0 H SER A 57 12.885 5.121 12.083 1.00 0.00 H new ATOM 0 HA SER A 57 14.624 5.504 14.428 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.366 3.905 13.817 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.702 2.780 13.956 1.00 0.00 H new ATOM 0 HG SER A 57 12.427 4.122 15.932 1.00 0.00 H new ATOM 791 N VAL A 58 16.655 4.430 13.688 1.00 0.00 N ATOM 792 CA VAL A 58 17.965 3.868 13.343 1.00 0.00 C ATOM 793 C VAL A 58 18.173 2.509 13.978 1.00 0.00 C ATOM 794 O VAL A 58 18.254 2.354 15.181 1.00 0.00 O ATOM 795 CB VAL A 58 19.025 4.811 13.898 1.00 0.00 C ATOM 796 CG1 VAL A 58 18.672 5.143 15.351 1.00 0.00 C ATOM 797 CG2 VAL A 58 20.391 4.129 13.853 1.00 0.00 C ATOM 0 H VAL A 58 16.690 5.067 14.483 1.00 0.00 H new ATOM 0 HA VAL A 58 18.029 3.757 12.261 1.00 0.00 H new ATOM 0 HB VAL A 58 19.059 5.723 13.302 1.00 0.00 H new ATOM 0 HG11 VAL A 58 19.422 5.818 15.763 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.694 5.622 15.387 1.00 0.00 H new ATOM 0 HG13 VAL A 58 18.648 4.225 15.938 1.00 0.00 H new ATOM 0 HG21 VAL A 58 21.148 4.805 14.250 1.00 0.00 H new ATOM 0 HG22 VAL A 58 20.364 3.220 14.454 1.00 0.00 H new ATOM 0 HG23 VAL A 58 20.637 3.874 12.822 1.00 0.00 H new ATOM 807 N GLU A 59 18.392 1.554 13.139 1.00 0.00 N ATOM 808 CA GLU A 59 18.754 0.207 13.614 1.00 0.00 C ATOM 809 C GLU A 59 20.213 0.117 13.238 1.00 0.00 C ATOM 810 O GLU A 59 21.095 0.088 14.073 1.00 0.00 O ATOM 811 CB GLU A 59 17.959 -0.877 12.906 1.00 0.00 C ATOM 812 CG GLU A 59 16.913 -1.452 13.860 1.00 0.00 C ATOM 813 CD GLU A 59 17.353 -2.842 14.324 1.00 0.00 C ATOM 814 OE1 GLU A 59 18.486 -3.204 14.049 1.00 0.00 O ATOM 815 OE2 GLU A 59 16.552 -3.519 14.946 1.00 0.00 O ATOM 0 H GLU A 59 18.335 1.651 12.125 1.00 0.00 H new ATOM 0 HA GLU A 59 18.552 0.063 14.675 1.00 0.00 H new ATOM 0 HB2 GLU A 59 17.472 -0.466 12.022 1.00 0.00 H new ATOM 0 HB3 GLU A 59 18.627 -1.667 12.564 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.788 -0.793 14.719 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.946 -1.513 13.362 1.00 0.00 H new ATOM 822 N GLU A 60 20.469 0.128 11.960 1.00 0.00 N ATOM 823 CA GLU A 60 21.865 0.103 11.495 1.00 0.00 C ATOM 824 C GLU A 60 21.983 0.848 10.163 1.00 0.00 C ATOM 825 O GLU A 60 23.062 1.342 9.877 1.00 0.00 O ATOM 826 CB GLU A 60 22.330 -1.344 11.323 1.00 0.00 C ATOM 827 CG GLU A 60 23.820 -1.445 11.657 1.00 0.00 C ATOM 828 CD GLU A 60 23.989 -1.910 13.105 1.00 0.00 C ATOM 829 OE1 GLU A 60 23.732 -3.073 13.367 1.00 0.00 O ATOM 830 OE2 GLU A 60 24.374 -1.095 13.927 1.00 0.00 O ATOM 831 OXT GLU A 60 20.994 0.909 9.452 1.00 0.00 O ATOM 0 H GLU A 60 19.764 0.153 11.223 1.00 0.00 H new ATOM 0 HA GLU A 60 22.496 0.595 12.236 1.00 0.00 H new ATOM 0 HB2 GLU A 60 21.755 -2.002 11.975 1.00 0.00 H new ATOM 0 HB3 GLU A 60 22.153 -1.675 10.300 1.00 0.00 H new ATOM 0 HG2 GLU A 60 24.309 -2.146 10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 60 24.301 -0.477 11.516 1.00 0.00 H new TER 838 GLU A 60 HETATM 839 FE1 SF4 A 61 6.484 13.253 9.883 1.00 0.00 FE HETATM 840 FE2 SF4 A 61 7.090 15.664 10.973 1.00 0.00 FE HETATM 841 FE3 SF4 A 61 8.587 14.667 8.984 1.00 0.00 FE HETATM 842 FE4 SF4 A 61 8.673 13.522 11.440 1.00 0.00 FE HETATM 843 S1 SF4 A 61 9.330 15.594 10.884 1.00 0.00 S HETATM 844 S2 SF4 A 61 8.549 12.468 9.454 1.00 0.00 S HETATM 845 S3 SF4 A 61 6.522 13.781 12.072 1.00 0.00 S HETATM 846 S4 SF4 A 61 6.425 15.260 8.860 1.00 0.00 S