USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 402 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 3 SER OG : rot 20:sc= 0.304 USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.089) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.967 USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= -0.152 (180deg=-0.749) USER MOD Single : A 12 THR OG1 : rot -112:sc= -0.241! USER MOD Single : A 13 TYR OH : rot 30:sc= -0.774 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.198 K(o=-0.2,f=-3.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -149:sc= -0.723 (180deg=-0.994) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.41) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= -0.143 (180deg=-0.649) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 3 7.346 -0.662 3.098 1.00 0.00 N ATOM 19 CA SER A 3 8.274 0.399 2.724 1.00 0.00 C ATOM 20 C SER A 3 9.274 0.666 3.846 1.00 0.00 C ATOM 21 O SER A 3 8.915 1.182 4.904 1.00 0.00 O ATOM 22 CB SER A 3 7.509 1.682 2.392 1.00 0.00 C ATOM 23 OG SER A 3 6.373 1.405 1.591 1.00 0.00 O ATOM 0 HA SER A 3 8.823 0.073 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.197 2.172 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.166 2.376 1.869 1.00 0.00 H new ATOM 0 HG SER A 3 6.136 0.458 1.675 1.00 0.00 H new ATOM 29 N LYS A 4 10.531 0.310 3.606 1.00 0.00 N ATOM 30 CA LYS A 4 11.586 0.510 4.593 1.00 0.00 C ATOM 31 C LYS A 4 12.916 -0.038 4.087 1.00 0.00 C ATOM 32 O LYS A 4 13.078 -0.299 2.894 1.00 0.00 O ATOM 33 CB LYS A 4 11.212 -0.167 5.913 1.00 0.00 C ATOM 34 CG LYS A 4 11.406 0.723 7.129 1.00 0.00 C ATOM 35 CD LYS A 4 10.906 0.051 8.397 1.00 0.00 C ATOM 36 CE LYS A 4 9.442 0.370 8.656 1.00 0.00 C ATOM 37 NZ LYS A 4 8.548 -0.743 8.229 1.00 0.00 N ATOM 0 H LYS A 4 10.845 -0.119 2.735 1.00 0.00 H new ATOM 0 HA LYS A 4 11.695 1.582 4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.170 -0.483 5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.814 -1.068 6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.463 0.967 7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.875 1.664 6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.035 -1.028 8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.507 0.379 9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.295 0.567 9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.169 1.280 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.595 -0.590 8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.500 -0.771 7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.924 -1.646 8.583 1.00 0.00 H new ATOM 51 N LEU A 5 13.864 -0.213 5.000 1.00 0.00 N ATOM 52 CA LEU A 5 15.181 -0.732 4.647 1.00 0.00 C ATOM 53 C LEU A 5 15.179 -2.258 4.634 1.00 0.00 C ATOM 54 O LEU A 5 14.424 -2.895 5.369 1.00 0.00 O ATOM 55 CB LEU A 5 16.234 -0.221 5.632 1.00 0.00 C ATOM 56 CG LEU A 5 16.473 1.289 5.634 1.00 0.00 C ATOM 57 CD1 LEU A 5 16.268 1.860 7.029 1.00 0.00 C ATOM 58 CD2 LEU A 5 17.872 1.608 5.126 1.00 0.00 C ATOM 0 H LEU A 5 13.746 -0.003 5.991 1.00 0.00 H new ATOM 0 HA LEU A 5 15.427 -0.378 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 5 15.940 -0.524 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 5 17.179 -0.718 5.413 1.00 0.00 H new ATOM 0 HG LEU A 5 15.750 1.753 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.442 2.936 7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.247 1.663 7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.967 1.391 7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.025 2.687 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 5 18.611 1.132 5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.984 1.233 4.108 1.00 0.00 H new ATOM 70 N CYS A 6 16.030 -2.838 3.794 1.00 0.00 N ATOM 71 CA CYS A 6 16.128 -4.289 3.686 1.00 0.00 C ATOM 72 C CYS A 6 17.538 -4.765 4.020 1.00 0.00 C ATOM 73 O CYS A 6 18.523 -4.216 3.526 1.00 0.00 O ATOM 74 CB CYS A 6 15.746 -4.742 2.275 1.00 0.00 C ATOM 75 SG CYS A 6 13.967 -5.073 2.057 1.00 0.00 S ATOM 0 H CYS A 6 16.662 -2.326 3.178 1.00 0.00 H new ATOM 0 HA CYS A 6 15.435 -4.730 4.403 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.052 -3.975 1.563 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.305 -5.645 2.031 1.00 0.00 H new ATOM 80 N GLU A 7 17.627 -5.790 4.863 1.00 0.00 N ATOM 81 CA GLU A 7 18.917 -6.339 5.263 1.00 0.00 C ATOM 82 C GLU A 7 19.089 -7.761 4.738 1.00 0.00 C ATOM 83 O GLU A 7 18.162 -8.570 4.787 1.00 0.00 O ATOM 84 CB GLU A 7 19.050 -6.326 6.788 1.00 0.00 C ATOM 85 CG GLU A 7 18.199 -7.377 7.481 1.00 0.00 C ATOM 86 CD GLU A 7 18.968 -8.652 7.770 1.00 0.00 C ATOM 87 OE1 GLU A 7 20.173 -8.562 8.083 1.00 0.00 O ATOM 88 OE2 GLU A 7 18.362 -9.741 7.682 1.00 0.00 O ATOM 0 H GLU A 7 16.822 -6.256 5.281 1.00 0.00 H new ATOM 0 HA GLU A 7 19.699 -5.714 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.095 -6.483 7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.770 -5.341 7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.814 -6.969 8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.337 -7.611 6.856 1.00 0.00 H new ATOM 95 N LYS A 8 20.283 -8.059 4.236 1.00 0.00 N ATOM 96 CA LYS A 8 20.579 -9.383 3.702 1.00 0.00 C ATOM 97 C LYS A 8 21.764 -10.011 4.429 1.00 0.00 C ATOM 98 O LYS A 8 22.880 -9.490 4.386 1.00 0.00 O ATOM 99 CB LYS A 8 20.875 -9.296 2.203 1.00 0.00 C ATOM 100 CG LYS A 8 19.713 -8.762 1.383 1.00 0.00 C ATOM 101 CD LYS A 8 19.844 -7.268 1.138 1.00 0.00 C ATOM 102 CE LYS A 8 18.535 -6.667 0.649 1.00 0.00 C ATOM 103 NZ LYS A 8 18.418 -6.724 -0.834 1.00 0.00 N ATOM 0 H LYS A 8 21.061 -7.401 4.188 1.00 0.00 H new ATOM 0 HA LYS A 8 19.704 -10.014 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.742 -8.654 2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.143 -10.287 1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.669 -9.286 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.776 -8.966 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 8 20.151 -6.773 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 8 20.627 -7.086 0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.699 -7.202 1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.466 -5.631 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.513 -6.305 -1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 19.201 -6.192 -1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.458 -7.715 -1.148 1.00 0.00 H new ATOM 117 N THR A 9 21.516 -11.133 5.097 1.00 0.00 N ATOM 118 CA THR A 9 22.562 -11.832 5.833 1.00 0.00 C ATOM 119 C THR A 9 23.250 -12.872 4.957 1.00 0.00 C ATOM 120 O THR A 9 23.454 -14.012 5.374 1.00 0.00 O ATOM 121 CB THR A 9 21.999 -12.525 7.088 1.00 0.00 C ATOM 122 OG1 THR A 9 20.819 -11.847 7.534 1.00 0.00 O ATOM 123 CG2 THR A 9 23.032 -12.545 8.205 1.00 0.00 C ATOM 0 H THR A 9 20.599 -11.577 5.143 1.00 0.00 H new ATOM 0 HA THR A 9 23.290 -11.080 6.138 1.00 0.00 H new ATOM 0 HB THR A 9 21.750 -13.554 6.827 1.00 0.00 H new ATOM 0 HG1 THR A 9 20.466 -12.294 8.331 1.00 0.00 H new ATOM 0 HG21 THR A 9 22.611 -13.039 9.081 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.917 -13.087 7.872 1.00 0.00 H new ATOM 0 HG23 THR A 9 23.308 -11.523 8.463 1.00 0.00 H new ATOM 131 N SER A 10 23.607 -12.472 3.740 1.00 0.00 N ATOM 132 CA SER A 10 24.270 -13.372 2.804 1.00 0.00 C ATOM 133 C SER A 10 23.398 -14.590 2.511 1.00 0.00 C ATOM 134 O SER A 10 23.239 -15.472 3.354 1.00 0.00 O ATOM 135 CB SER A 10 25.620 -13.821 3.364 1.00 0.00 C ATOM 136 OG SER A 10 26.311 -14.639 2.436 1.00 0.00 O ATOM 0 H SER A 10 23.448 -11.531 3.380 1.00 0.00 H new ATOM 0 HA SER A 10 24.433 -12.831 1.872 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.226 -12.948 3.605 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.467 -14.369 4.294 1.00 0.00 H new ATOM 0 HG SER A 10 27.172 -14.911 2.817 1.00 0.00 H new ATOM 142 N LYS A 11 22.834 -14.630 1.308 1.00 0.00 N ATOM 143 CA LYS A 11 21.979 -15.738 0.901 1.00 0.00 C ATOM 144 C LYS A 11 22.389 -16.267 -0.470 1.00 0.00 C ATOM 145 O LYS A 11 21.549 -16.709 -1.254 1.00 0.00 O ATOM 146 CB LYS A 11 20.514 -15.295 0.870 1.00 0.00 C ATOM 147 CG LYS A 11 20.321 -13.868 0.387 1.00 0.00 C ATOM 148 CD LYS A 11 20.292 -12.886 1.546 1.00 0.00 C ATOM 149 CE LYS A 11 19.135 -11.906 1.418 1.00 0.00 C ATOM 150 NZ LYS A 11 17.820 -12.603 1.376 1.00 0.00 N ATOM 0 H LYS A 11 22.954 -13.907 0.598 1.00 0.00 H new ATOM 0 HA LYS A 11 22.095 -16.540 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 11 19.953 -15.968 0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 11 20.093 -15.391 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 11 21.128 -13.602 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.390 -13.796 -0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 11 20.205 -13.432 2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 11 21.233 -12.337 1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 11 19.152 -11.213 2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 11 19.260 -11.312 0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.091 -11.996 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.566 -12.806 0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.882 -13.495 1.908 1.00 0.00 H new ATOM 164 N THR A 12 23.688 -16.220 -0.753 1.00 0.00 N ATOM 165 CA THR A 12 24.210 -16.694 -2.028 1.00 0.00 C ATOM 166 C THR A 12 25.704 -16.418 -2.147 1.00 0.00 C ATOM 167 O THR A 12 26.415 -17.101 -2.885 1.00 0.00 O ATOM 168 CB THR A 12 23.481 -16.035 -3.214 1.00 0.00 C ATOM 169 OG1 THR A 12 24.228 -16.233 -4.419 1.00 0.00 O ATOM 170 CG2 THR A 12 23.288 -14.545 -2.970 1.00 0.00 C ATOM 0 H THR A 12 24.397 -15.858 -0.115 1.00 0.00 H new ATOM 0 HA THR A 12 24.039 -17.770 -2.059 1.00 0.00 H new ATOM 0 HB THR A 12 22.501 -16.501 -3.314 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.581 -15.373 -4.730 1.00 0.00 H new ATOM 0 HG21 THR A 12 22.771 -14.101 -3.821 1.00 0.00 H new ATOM 0 HG22 THR A 12 22.694 -14.398 -2.068 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.260 -14.068 -2.847 1.00 0.00 H new ATOM 178 N TYR A 13 26.175 -15.414 -1.416 1.00 0.00 N ATOM 179 CA TYR A 13 27.586 -15.046 -1.442 1.00 0.00 C ATOM 180 C TYR A 13 28.473 -16.285 -1.365 1.00 0.00 C ATOM 181 O TYR A 13 29.033 -16.726 -2.369 1.00 0.00 O ATOM 182 CB TYR A 13 27.910 -14.101 -0.284 1.00 0.00 C ATOM 183 CG TYR A 13 29.355 -13.660 -0.247 1.00 0.00 C ATOM 184 CD1 TYR A 13 29.853 -12.765 -1.187 1.00 0.00 C ATOM 185 CD2 TYR A 13 30.224 -14.139 0.725 1.00 0.00 C ATOM 186 CE1 TYR A 13 31.174 -12.360 -1.158 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.546 -13.738 0.763 1.00 0.00 C ATOM 188 CZ TYR A 13 32.016 -12.849 -0.181 1.00 0.00 C ATOM 189 OH TYR A 13 33.332 -12.449 -0.148 1.00 0.00 O ATOM 0 H TYR A 13 25.601 -14.840 -0.798 1.00 0.00 H new ATOM 0 HA TYR A 13 27.785 -14.536 -2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.272 -13.220 -0.356 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.666 -14.595 0.656 1.00 0.00 H new ATOM 0 HD1 TYR A 13 29.196 -12.380 -1.953 1.00 0.00 H new ATOM 0 HD2 TYR A 13 29.860 -14.837 1.464 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.545 -11.664 -1.896 1.00 0.00 H new ATOM 0 HE2 TYR A 13 32.207 -14.119 1.527 1.00 0.00 H new ATOM 0 HH TYR A 13 33.407 -11.541 -0.508 1.00 0.00 H new ATOM 199 N SER A 14 28.596 -16.843 -0.164 1.00 0.00 N ATOM 200 CA SER A 14 29.417 -18.029 0.047 1.00 0.00 C ATOM 201 C SER A 14 30.808 -17.842 -0.553 1.00 0.00 C ATOM 202 O SER A 14 31.181 -16.739 -0.951 1.00 0.00 O ATOM 203 CB SER A 14 28.745 -19.257 -0.570 1.00 0.00 C ATOM 204 OG SER A 14 27.365 -19.298 -0.251 1.00 0.00 O ATOM 0 H SER A 14 28.137 -16.492 0.677 1.00 0.00 H new ATOM 0 HA SER A 14 29.521 -18.181 1.121 1.00 0.00 H new ATOM 0 HB2 SER A 14 28.871 -19.239 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 14 29.232 -20.162 -0.208 1.00 0.00 H new ATOM 0 HG SER A 14 26.958 -20.091 -0.659 1.00 0.00 H new ATOM 210 N GLY A 15 31.571 -18.929 -0.614 1.00 0.00 N ATOM 211 CA GLY A 15 32.912 -18.864 -1.166 1.00 0.00 C ATOM 212 C GLY A 15 33.773 -17.825 -0.476 1.00 0.00 C ATOM 213 O GLY A 15 33.724 -16.642 -0.815 1.00 0.00 O ATOM 0 H GLY A 15 31.285 -19.853 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 15 33.386 -19.841 -1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 15 32.853 -18.634 -2.230 1.00 0.00 H new ATOM 217 N LYS A 16 34.563 -18.265 0.497 1.00 0.00 N ATOM 218 CA LYS A 16 35.439 -17.365 1.238 1.00 0.00 C ATOM 219 C LYS A 16 34.709 -16.078 1.608 1.00 0.00 C ATOM 220 O LYS A 16 33.481 -16.011 1.554 1.00 0.00 O ATOM 221 CB LYS A 16 36.685 -17.038 0.412 1.00 0.00 C ATOM 222 CG LYS A 16 36.434 -16.025 -0.692 1.00 0.00 C ATOM 223 CD LYS A 16 36.274 -16.702 -2.043 1.00 0.00 C ATOM 224 CE LYS A 16 37.379 -16.293 -3.006 1.00 0.00 C ATOM 225 NZ LYS A 16 37.160 -16.849 -4.370 1.00 0.00 N ATOM 0 H LYS A 16 34.615 -19.240 0.791 1.00 0.00 H new ATOM 0 HA LYS A 16 35.741 -17.867 2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 16 37.460 -16.655 1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 16 37.069 -17.957 -0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 16 35.536 -15.451 -0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.263 -15.318 -0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 16 36.286 -17.784 -1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 16 35.305 -16.443 -2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 16 37.429 -15.206 -3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 16 38.340 -16.637 -2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 37.934 -16.548 -4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 37.138 -17.888 -4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 36.255 -16.500 -4.746 1.00 0.00 H new ATOM 239 N CYS A 17 35.473 -15.056 1.982 1.00 0.00 N ATOM 240 CA CYS A 17 34.900 -13.770 2.360 1.00 0.00 C ATOM 241 C CYS A 17 35.928 -12.653 2.214 1.00 0.00 C ATOM 242 O CYS A 17 37.134 -12.898 2.237 1.00 0.00 O ATOM 243 CB CYS A 17 34.386 -13.821 3.800 1.00 0.00 C ATOM 244 SG CYS A 17 32.836 -12.902 4.069 1.00 0.00 S ATOM 0 H CYS A 17 36.491 -15.094 2.031 1.00 0.00 H new ATOM 0 HA CYS A 17 34.065 -13.561 1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 17 34.232 -14.862 4.083 1.00 0.00 H new ATOM 0 HB3 CYS A 17 35.153 -13.420 4.463 1.00 0.00 H new ATOM 249 N ASP A 18 35.442 -11.425 2.066 1.00 0.00 N ATOM 250 CA ASP A 18 36.319 -10.269 1.918 1.00 0.00 C ATOM 251 C ASP A 18 35.554 -8.972 2.166 1.00 0.00 C ATOM 252 O ASP A 18 34.431 -8.989 2.667 1.00 0.00 O ATOM 253 CB ASP A 18 36.940 -10.249 0.521 1.00 0.00 C ATOM 254 CG ASP A 18 38.416 -9.904 0.549 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.844 -9.203 1.490 1.00 0.00 O ATOM 256 OD2 ASP A 18 39.144 -10.334 -0.371 1.00 0.00 O ATOM 0 H ASP A 18 34.446 -11.205 2.045 1.00 0.00 H new ATOM 0 HA ASP A 18 37.114 -10.349 2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.807 -11.224 0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.412 -9.524 -0.098 1.00 0.00 H new ATOM 261 N ASN A 19 36.172 -7.850 1.814 1.00 0.00 N ATOM 262 CA ASN A 19 35.550 -6.544 2.000 1.00 0.00 C ATOM 263 C ASN A 19 34.879 -6.072 0.714 1.00 0.00 C ATOM 264 O ASN A 19 33.655 -5.955 0.645 1.00 0.00 O ATOM 265 CB ASN A 19 36.593 -5.519 2.450 1.00 0.00 C ATOM 266 CG ASN A 19 37.954 -5.768 1.829 1.00 0.00 C ATOM 267 OD1 ASN A 19 38.250 -5.278 0.739 1.00 0.00 O ATOM 268 ND2 ASN A 19 38.790 -6.533 2.521 1.00 0.00 N ATOM 0 H ASN A 19 37.103 -7.818 1.398 1.00 0.00 H new ATOM 0 HA ASN A 19 34.787 -6.640 2.772 1.00 0.00 H new ATOM 0 HB2 ASN A 19 36.253 -4.518 2.184 1.00 0.00 H new ATOM 0 HB3 ASN A 19 36.681 -5.548 3.536 1.00 0.00 H new ATOM 0 HD21 ASN A 19 39.720 -6.735 2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 19 38.503 -6.918 3.421 1.00 0.00 H new ATOM 275 N LYS A 20 35.689 -5.802 -0.305 1.00 0.00 N ATOM 276 CA LYS A 20 35.175 -5.345 -1.591 1.00 0.00 C ATOM 277 C LYS A 20 34.391 -6.452 -2.288 1.00 0.00 C ATOM 278 O LYS A 20 33.383 -6.194 -2.945 1.00 0.00 O ATOM 279 CB LYS A 20 36.326 -4.878 -2.485 1.00 0.00 C ATOM 280 CG LYS A 20 35.921 -3.814 -3.491 1.00 0.00 C ATOM 281 CD LYS A 20 36.076 -4.308 -4.919 1.00 0.00 C ATOM 282 CE LYS A 20 35.039 -3.685 -5.841 1.00 0.00 C ATOM 283 NZ LYS A 20 35.654 -3.157 -7.091 1.00 0.00 N ATOM 0 H LYS A 20 36.704 -5.892 -0.265 1.00 0.00 H new ATOM 0 HA LYS A 20 34.501 -4.508 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 20 37.127 -4.487 -1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.731 -5.737 -3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 20 34.885 -3.523 -3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 20 36.532 -2.923 -3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 20 37.076 -4.069 -5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 20 35.979 -5.393 -4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 20 34.284 -4.429 -6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 20 34.527 -2.877 -5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 34.915 -2.741 -7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 36.356 -2.428 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 36.121 -3.933 -7.603 1.00 0.00 H new ATOM 297 N LYS A 21 34.861 -7.686 -2.141 1.00 0.00 N ATOM 298 CA LYS A 21 34.203 -8.834 -2.754 1.00 0.00 C ATOM 299 C LYS A 21 32.777 -8.985 -2.235 1.00 0.00 C ATOM 300 O LYS A 21 31.852 -9.256 -3.001 1.00 0.00 O ATOM 301 CB LYS A 21 34.997 -10.112 -2.476 1.00 0.00 C ATOM 302 CG LYS A 21 36.362 -10.138 -3.142 1.00 0.00 C ATOM 303 CD LYS A 21 36.251 -9.959 -4.647 1.00 0.00 C ATOM 304 CE LYS A 21 36.568 -8.531 -5.063 1.00 0.00 C ATOM 305 NZ LYS A 21 35.560 -7.995 -6.019 1.00 0.00 N ATOM 0 H LYS A 21 35.696 -7.917 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 21 34.163 -8.666 -3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 21 35.125 -10.223 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.419 -10.970 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 21 36.986 -9.347 -2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.857 -11.084 -2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 21 36.934 -10.645 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 21 35.244 -10.219 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 21 36.604 -7.895 -4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 21 37.557 -8.497 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 36.017 -7.315 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 35.158 -8.777 -6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 34.801 -7.518 -5.492 1.00 0.00 H new ATOM 319 N CYS A 22 32.605 -8.808 -0.929 1.00 0.00 N ATOM 320 CA CYS A 22 31.292 -8.924 -0.307 1.00 0.00 C ATOM 321 C CYS A 22 30.391 -7.762 -0.718 1.00 0.00 C ATOM 322 O CYS A 22 29.306 -7.967 -1.263 1.00 0.00 O ATOM 323 CB CYS A 22 31.428 -8.964 1.216 1.00 0.00 C ATOM 324 SG CYS A 22 30.724 -10.457 1.986 1.00 0.00 S ATOM 0 H CYS A 22 33.360 -8.583 -0.281 1.00 0.00 H new ATOM 0 HA CYS A 22 30.836 -9.853 -0.649 1.00 0.00 H new ATOM 0 HB2 CYS A 22 32.484 -8.897 1.478 1.00 0.00 H new ATOM 0 HB3 CYS A 22 30.939 -8.086 1.637 1.00 0.00 H new ATOM 329 N ASP A 23 30.849 -6.544 -0.454 1.00 0.00 N ATOM 330 CA ASP A 23 30.086 -5.349 -0.797 1.00 0.00 C ATOM 331 C ASP A 23 29.700 -5.356 -2.273 1.00 0.00 C ATOM 332 O ASP A 23 28.553 -5.081 -2.627 1.00 0.00 O ATOM 333 CB ASP A 23 30.895 -4.092 -0.475 1.00 0.00 C ATOM 334 CG ASP A 23 30.014 -2.881 -0.237 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.805 -2.959 -0.542 1.00 0.00 O ATOM 336 OD2 ASP A 23 30.532 -1.856 0.252 1.00 0.00 O ATOM 0 H ASP A 23 31.745 -6.357 -0.004 1.00 0.00 H new ATOM 0 HA ASP A 23 29.173 -5.347 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.505 -4.273 0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.580 -3.884 -1.297 1.00 0.00 H new ATOM 341 N LYS A 24 30.665 -5.672 -3.130 1.00 0.00 N ATOM 342 CA LYS A 24 30.427 -5.715 -4.568 1.00 0.00 C ATOM 343 C LYS A 24 29.439 -6.822 -4.923 1.00 0.00 C ATOM 344 O LYS A 24 28.481 -6.600 -5.663 1.00 0.00 O ATOM 345 CB LYS A 24 31.744 -5.933 -5.317 1.00 0.00 C ATOM 346 CG LYS A 24 31.562 -6.202 -6.801 1.00 0.00 C ATOM 347 CD LYS A 24 32.897 -6.405 -7.498 1.00 0.00 C ATOM 348 CE LYS A 24 32.870 -7.622 -8.409 1.00 0.00 C ATOM 349 NZ LYS A 24 33.744 -7.442 -9.602 1.00 0.00 N ATOM 0 H LYS A 24 31.619 -5.902 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 24 29.998 -4.759 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.374 -5.053 -5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.274 -6.772 -4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.941 -7.087 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 24 31.033 -5.367 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.143 -5.518 -8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.683 -6.524 -6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.194 -8.501 -7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.847 -7.810 -8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.698 -8.293 -10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.420 -6.619 -10.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.725 -7.288 -9.293 1.00 0.00 H new ATOM 363 N LYS A 25 29.678 -8.016 -4.389 1.00 0.00 N ATOM 364 CA LYS A 25 28.809 -9.157 -4.646 1.00 0.00 C ATOM 365 C LYS A 25 27.390 -8.882 -4.158 1.00 0.00 C ATOM 366 O LYS A 25 26.432 -9.499 -4.624 1.00 0.00 O ATOM 367 CB LYS A 25 29.362 -10.410 -3.962 1.00 0.00 C ATOM 368 CG LYS A 25 28.653 -11.689 -4.372 1.00 0.00 C ATOM 369 CD LYS A 25 29.641 -12.813 -4.637 1.00 0.00 C ATOM 370 CE LYS A 25 30.307 -12.661 -5.996 1.00 0.00 C ATOM 371 NZ LYS A 25 31.301 -13.740 -6.250 1.00 0.00 N ATOM 0 H LYS A 25 30.467 -8.217 -3.775 1.00 0.00 H new ATOM 0 HA LYS A 25 28.778 -9.322 -5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 25 30.423 -10.502 -4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 25 29.281 -10.290 -2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 25 27.960 -11.990 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 25 28.059 -11.506 -5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 25 30.402 -12.821 -3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 25 29.125 -13.772 -4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 25 29.547 -12.676 -6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 25 30.801 -11.691 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 31.733 -13.601 -7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 32.041 -13.710 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 30.825 -14.664 -6.222 1.00 0.00 H new ATOM 385 N CYS A 26 27.263 -7.952 -3.217 1.00 0.00 N ATOM 386 CA CYS A 26 25.962 -7.594 -2.666 1.00 0.00 C ATOM 387 C CYS A 26 25.151 -6.780 -3.670 1.00 0.00 C ATOM 388 O CYS A 26 23.997 -7.101 -3.957 1.00 0.00 O ATOM 389 CB CYS A 26 26.135 -6.799 -1.370 1.00 0.00 C ATOM 390 SG CYS A 26 26.310 -7.834 0.119 1.00 0.00 S ATOM 0 H CYS A 26 28.046 -7.433 -2.820 1.00 0.00 H new ATOM 0 HA CYS A 26 25.421 -8.515 -2.450 1.00 0.00 H new ATOM 0 HB2 CYS A 26 27.014 -6.162 -1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.276 -6.140 -1.243 1.00 0.00 H new ATOM 395 N ILE A 27 25.762 -5.726 -4.200 1.00 0.00 N ATOM 396 CA ILE A 27 25.098 -4.868 -5.173 1.00 0.00 C ATOM 397 C ILE A 27 25.078 -5.514 -6.554 1.00 0.00 C ATOM 398 O ILE A 27 24.311 -5.112 -7.427 1.00 0.00 O ATOM 399 CB ILE A 27 25.785 -3.493 -5.272 1.00 0.00 C ATOM 400 CG1 ILE A 27 26.038 -2.923 -3.875 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.935 -2.535 -6.094 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.498 -2.644 -3.592 1.00 0.00 C ATOM 0 H ILE A 27 26.716 -5.446 -3.972 1.00 0.00 H new ATOM 0 HA ILE A 27 24.074 -4.730 -4.825 1.00 0.00 H new ATOM 0 HB ILE A 27 26.745 -3.618 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.471 -1.999 -3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.659 -3.624 -3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.433 -1.567 -6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.800 -2.938 -7.098 1.00 0.00 H new ATOM 0 HG23 ILE A 27 23.962 -2.412 -5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.603 -2.242 -2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 27 28.068 -3.569 -3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.876 -1.919 -4.313 1.00 0.00 H new ATOM 414 N GLU A 28 25.927 -6.520 -6.743 1.00 0.00 N ATOM 415 CA GLU A 28 26.006 -7.223 -8.018 1.00 0.00 C ATOM 416 C GLU A 28 24.918 -8.288 -8.120 1.00 0.00 C ATOM 417 O GLU A 28 24.266 -8.427 -9.155 1.00 0.00 O ATOM 418 CB GLU A 28 27.384 -7.867 -8.186 1.00 0.00 C ATOM 419 CG GLU A 28 28.453 -6.900 -8.665 1.00 0.00 C ATOM 420 CD GLU A 28 28.884 -7.167 -10.094 1.00 0.00 C ATOM 421 OE1 GLU A 28 28.081 -6.904 -11.014 1.00 0.00 O ATOM 422 OE2 GLU A 28 30.023 -7.639 -10.293 1.00 0.00 O ATOM 0 H GLU A 28 26.569 -6.866 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 28 25.854 -6.496 -8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.694 -8.295 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.307 -8.691 -8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 28 28.076 -5.880 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.321 -6.969 -8.009 1.00 0.00 H new ATOM 429 N TRP A 29 24.729 -9.037 -7.040 1.00 0.00 N ATOM 430 CA TRP A 29 23.721 -10.091 -7.008 1.00 0.00 C ATOM 431 C TRP A 29 22.498 -9.650 -6.213 1.00 0.00 C ATOM 432 O TRP A 29 21.367 -9.765 -6.684 1.00 0.00 O ATOM 433 CB TRP A 29 24.307 -11.367 -6.400 1.00 0.00 C ATOM 434 CG TRP A 29 25.259 -12.077 -7.314 1.00 0.00 C ATOM 435 CD1 TRP A 29 26.080 -11.508 -8.245 1.00 0.00 C ATOM 436 CD2 TRP A 29 25.487 -13.489 -7.385 1.00 0.00 C ATOM 437 NE1 TRP A 29 26.805 -12.481 -8.890 1.00 0.00 N ATOM 438 CE2 TRP A 29 26.460 -13.705 -8.381 1.00 0.00 C ATOM 439 CE3 TRP A 29 24.965 -14.592 -6.703 1.00 0.00 C ATOM 440 CZ2 TRP A 29 26.918 -14.977 -8.710 1.00 0.00 C ATOM 441 CZ3 TRP A 29 25.421 -15.854 -7.031 1.00 0.00 C ATOM 442 CH2 TRP A 29 26.390 -16.039 -8.026 1.00 0.00 C ATOM 0 H TRP A 29 25.260 -8.934 -6.175 1.00 0.00 H new ATOM 0 HA TRP A 29 23.411 -10.294 -8.033 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.823 -11.116 -5.473 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.493 -12.043 -6.138 1.00 0.00 H new ATOM 0 HD1 TRP A 29 26.149 -10.449 -8.445 1.00 0.00 H new ATOM 0 HE1 TRP A 29 27.489 -12.318 -9.628 1.00 0.00 H new ATOM 0 HE3 TRP A 29 24.219 -14.460 -5.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 27.664 -15.121 -9.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 25.024 -16.713 -6.511 1.00 0.00 H new ATOM 0 HH2 TRP A 29 26.727 -17.039 -8.258 1.00 0.00 H new ATOM 453 N GLU A 30 22.732 -9.144 -5.006 1.00 0.00 N ATOM 454 CA GLU A 30 21.647 -8.686 -4.147 1.00 0.00 C ATOM 455 C GLU A 30 21.235 -7.260 -4.504 1.00 0.00 C ATOM 456 O GLU A 30 20.285 -6.716 -3.939 1.00 0.00 O ATOM 457 CB GLU A 30 22.067 -8.754 -2.677 1.00 0.00 C ATOM 458 CG GLU A 30 23.003 -9.909 -2.365 1.00 0.00 C ATOM 459 CD GLU A 30 23.295 -10.040 -0.882 1.00 0.00 C ATOM 460 OE1 GLU A 30 22.921 -9.124 -0.121 1.00 0.00 O ATOM 461 OE2 GLU A 30 23.897 -11.059 -0.484 1.00 0.00 O ATOM 0 H GLU A 30 23.663 -9.041 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 30 20.792 -9.343 -4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.554 -7.818 -2.403 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.175 -8.842 -2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 30 22.562 -10.837 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 30 23.940 -9.769 -2.905 1.00 0.00 H new ATOM 468 N LYS A 31 21.956 -6.660 -5.445 1.00 0.00 N ATOM 469 CA LYS A 31 21.667 -5.299 -5.879 1.00 0.00 C ATOM 470 C LYS A 31 21.426 -4.385 -4.682 1.00 0.00 C ATOM 471 O LYS A 31 20.613 -3.464 -4.746 1.00 0.00 O ATOM 472 CB LYS A 31 20.444 -5.284 -6.799 1.00 0.00 C ATOM 473 CG LYS A 31 20.502 -6.324 -7.905 1.00 0.00 C ATOM 474 CD LYS A 31 21.820 -6.264 -8.659 1.00 0.00 C ATOM 475 CE LYS A 31 22.063 -4.881 -9.245 1.00 0.00 C ATOM 476 NZ LYS A 31 23.000 -4.927 -10.402 1.00 0.00 N ATOM 0 H LYS A 31 22.745 -7.096 -5.922 1.00 0.00 H new ATOM 0 HA LYS A 31 22.533 -4.929 -6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.548 -5.451 -6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.349 -4.295 -7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.371 -7.318 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.677 -6.164 -8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.637 -6.525 -7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.817 -7.004 -9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 31 21.114 -4.449 -9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.469 -4.226 -8.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 23.140 -3.966 -10.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 23.914 -5.316 -10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 22.601 -5.532 -11.148 1.00 0.00 H new ATOM 490 N ALA A 32 22.138 -4.647 -3.591 1.00 0.00 N ATOM 491 CA ALA A 32 22.004 -3.846 -2.380 1.00 0.00 C ATOM 492 C ALA A 32 22.757 -2.526 -2.509 1.00 0.00 C ATOM 493 O ALA A 32 23.213 -2.165 -3.594 1.00 0.00 O ATOM 494 CB ALA A 32 22.504 -4.625 -1.173 1.00 0.00 C ATOM 0 H ALA A 32 22.814 -5.408 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 32 20.947 -3.619 -2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.398 -4.014 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.919 -5.538 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.554 -4.882 -1.315 1.00 0.00 H new ATOM 500 N GLN A 33 22.882 -1.810 -1.396 1.00 0.00 N ATOM 501 CA GLN A 33 23.578 -0.529 -1.387 1.00 0.00 C ATOM 502 C GLN A 33 24.929 -0.649 -0.690 1.00 0.00 C ATOM 503 O GLN A 33 25.949 -0.190 -1.206 1.00 0.00 O ATOM 504 CB GLN A 33 22.725 0.534 -0.692 1.00 0.00 C ATOM 505 CG GLN A 33 22.295 1.665 -1.612 1.00 0.00 C ATOM 506 CD GLN A 33 22.506 3.033 -0.994 1.00 0.00 C ATOM 507 OE1 GLN A 33 21.934 3.351 0.049 1.00 0.00 O ATOM 508 NE2 GLN A 33 23.332 3.852 -1.634 1.00 0.00 N ATOM 0 H GLN A 33 22.511 -2.095 -0.490 1.00 0.00 H new ATOM 0 HA GLN A 33 23.748 -0.229 -2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.837 0.059 -0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 33 23.288 0.950 0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.855 1.602 -2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.241 1.543 -1.864 1.00 0.00 H new ATOM 0 HE21 GLN A 33 23.785 3.548 -2.496 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.513 4.785 -1.264 1.00 0.00 H new ATOM 517 N HIS A 34 24.930 -1.269 0.487 1.00 0.00 N ATOM 518 CA HIS A 34 26.156 -1.449 1.255 1.00 0.00 C ATOM 519 C HIS A 34 26.222 -2.852 1.852 1.00 0.00 C ATOM 520 O HIS A 34 25.215 -3.389 2.313 1.00 0.00 O ATOM 521 CB HIS A 34 26.245 -0.404 2.368 1.00 0.00 C ATOM 522 CG HIS A 34 27.641 0.064 2.640 1.00 0.00 C ATOM 523 ND1 HIS A 34 28.279 1.015 1.872 1.00 0.00 N ATOM 524 CD2 HIS A 34 28.522 -0.292 3.603 1.00 0.00 C ATOM 525 CE1 HIS A 34 29.493 1.223 2.350 1.00 0.00 C ATOM 526 NE2 HIS A 34 29.665 0.442 3.402 1.00 0.00 N ATOM 0 H HIS A 34 24.095 -1.655 0.929 1.00 0.00 H new ATOM 0 HA HIS A 34 27.001 -1.320 0.578 1.00 0.00 H new ATOM 0 HB2 HIS A 34 25.629 0.454 2.099 1.00 0.00 H new ATOM 0 HB3 HIS A 34 25.826 -0.823 3.283 1.00 0.00 H new ATOM 0 HD2 HIS A 34 28.357 -1.019 4.385 1.00 0.00 H new ATOM 0 HE1 HIS A 34 30.221 1.913 1.949 1.00 0.00 H new ATOM 0 HE2 HIS A 34 30.509 0.392 3.972 1.00 0.00 H new ATOM 534 N GLY A 35 27.414 -3.440 1.839 1.00 0.00 N ATOM 535 CA GLY A 35 27.588 -4.775 2.381 1.00 0.00 C ATOM 536 C GLY A 35 28.890 -4.927 3.142 1.00 0.00 C ATOM 537 O GLY A 35 29.876 -4.256 2.838 1.00 0.00 O ATOM 0 H GLY A 35 28.262 -3.016 1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.754 -5.006 3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.559 -5.500 1.568 1.00 0.00 H new ATOM 541 N ALA A 36 28.894 -5.810 4.136 1.00 0.00 N ATOM 542 CA ALA A 36 30.084 -6.047 4.942 1.00 0.00 C ATOM 543 C ALA A 36 30.188 -7.513 5.349 1.00 0.00 C ATOM 544 O ALA A 36 29.205 -8.253 5.299 1.00 0.00 O ATOM 545 CB ALA A 36 30.074 -5.155 6.174 1.00 0.00 C ATOM 0 H ALA A 36 28.086 -6.373 4.402 1.00 0.00 H new ATOM 0 HA ALA A 36 30.957 -5.802 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.969 -5.343 6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.056 -4.110 5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 36 29.190 -5.372 6.773 1.00 0.00 H new ATOM 551 N CYS A 37 31.385 -7.927 5.752 1.00 0.00 N ATOM 552 CA CYS A 37 31.618 -9.305 6.166 1.00 0.00 C ATOM 553 C CYS A 37 32.118 -9.362 7.607 1.00 0.00 C ATOM 554 O CYS A 37 32.812 -8.457 8.071 1.00 0.00 O ATOM 555 CB CYS A 37 32.632 -9.975 5.236 1.00 0.00 C ATOM 556 SG CYS A 37 32.911 -11.740 5.590 1.00 0.00 S ATOM 0 H CYS A 37 32.209 -7.327 5.801 1.00 0.00 H new ATOM 0 HA CYS A 37 30.671 -9.841 6.106 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.289 -9.872 4.207 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.582 -9.446 5.310 1.00 0.00 H new ATOM 561 N HIS A 38 31.760 -10.433 8.310 1.00 0.00 N ATOM 562 CA HIS A 38 32.173 -10.609 9.698 1.00 0.00 C ATOM 563 C HIS A 38 32.282 -12.090 10.048 1.00 0.00 C ATOM 564 O HIS A 38 31.604 -12.930 9.457 1.00 0.00 O ATOM 565 CB HIS A 38 31.182 -9.922 10.638 1.00 0.00 C ATOM 566 CG HIS A 38 31.536 -10.061 12.086 1.00 0.00 C ATOM 567 ND1 HIS A 38 32.742 -9.644 12.609 1.00 0.00 N ATOM 568 CD2 HIS A 38 30.834 -10.571 13.125 1.00 0.00 C ATOM 569 CE1 HIS A 38 32.767 -9.895 13.906 1.00 0.00 C ATOM 570 NE2 HIS A 38 31.621 -10.457 14.244 1.00 0.00 N ATOM 0 H HIS A 38 31.185 -11.191 7.941 1.00 0.00 H new ATOM 0 HA HIS A 38 33.155 -10.151 9.820 1.00 0.00 H new ATOM 0 HB2 HIS A 38 31.129 -8.863 10.385 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.189 -10.339 10.474 1.00 0.00 H new ATOM 0 HD2 HIS A 38 29.839 -10.990 13.082 1.00 0.00 H new ATOM 0 HE1 HIS A 38 33.586 -9.677 14.576 1.00 0.00 H new ATOM 0 HE2 HIS A 38 31.362 -10.758 15.184 1.00 0.00 H new ATOM 578 N LYS A 39 33.141 -12.403 11.012 1.00 0.00 N ATOM 579 CA LYS A 39 33.340 -13.782 11.443 1.00 0.00 C ATOM 580 C LYS A 39 32.376 -14.145 12.568 1.00 0.00 C ATOM 581 O LYS A 39 32.340 -13.483 13.605 1.00 0.00 O ATOM 582 CB LYS A 39 34.783 -13.990 11.907 1.00 0.00 C ATOM 583 CG LYS A 39 35.087 -15.418 12.326 1.00 0.00 C ATOM 584 CD LYS A 39 35.172 -15.549 13.837 1.00 0.00 C ATOM 585 CE LYS A 39 35.854 -16.846 14.246 1.00 0.00 C ATOM 586 NZ LYS A 39 35.847 -17.034 15.724 1.00 0.00 N ATOM 0 H LYS A 39 33.711 -11.720 11.510 1.00 0.00 H new ATOM 0 HA LYS A 39 33.141 -14.434 10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.460 -13.705 11.101 1.00 0.00 H new ATOM 0 HB3 LYS A 39 34.986 -13.323 12.745 1.00 0.00 H new ATOM 0 HG2 LYS A 39 34.312 -16.083 11.945 1.00 0.00 H new ATOM 0 HG3 LYS A 39 36.028 -15.737 11.879 1.00 0.00 H new ATOM 0 HD2 LYS A 39 35.723 -14.702 14.246 1.00 0.00 H new ATOM 0 HD3 LYS A 39 34.170 -15.513 14.263 1.00 0.00 H new ATOM 0 HE2 LYS A 39 35.350 -17.687 13.770 1.00 0.00 H new ATOM 0 HE3 LYS A 39 36.882 -16.845 13.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 36.321 -17.929 15.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 36.350 -16.244 16.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 34.865 -17.060 16.066 1.00 0.00 H new ATOM 600 N ARG A 40 31.597 -15.201 12.356 1.00 0.00 N ATOM 601 CA ARG A 40 30.633 -15.652 13.352 1.00 0.00 C ATOM 602 C ARG A 40 30.591 -17.176 13.417 1.00 0.00 C ATOM 603 O ARG A 40 31.253 -17.858 12.636 1.00 0.00 O ATOM 604 CB ARG A 40 29.241 -15.106 13.030 1.00 0.00 C ATOM 605 CG ARG A 40 28.797 -13.984 13.954 1.00 0.00 C ATOM 606 CD ARG A 40 27.890 -14.498 15.060 1.00 0.00 C ATOM 607 NE ARG A 40 27.489 -13.436 15.978 1.00 0.00 N ATOM 608 CZ ARG A 40 26.873 -13.657 17.134 1.00 0.00 C ATOM 609 NH1 ARG A 40 26.589 -14.896 17.511 1.00 0.00 N ATOM 610 NH2 ARG A 40 26.540 -12.637 17.915 1.00 0.00 N ATOM 0 H ARG A 40 31.615 -15.760 11.503 1.00 0.00 H new ATOM 0 HA ARG A 40 30.948 -15.273 14.324 1.00 0.00 H new ATOM 0 HB2 ARG A 40 29.231 -14.744 12.002 1.00 0.00 H new ATOM 0 HB3 ARG A 40 28.519 -15.920 13.088 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.672 -13.505 14.393 1.00 0.00 H new ATOM 0 HG3 ARG A 40 28.273 -13.222 13.377 1.00 0.00 H new ATOM 0 HD2 ARG A 40 27.002 -14.950 14.619 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.405 -15.282 15.616 1.00 0.00 H new ATOM 0 HE ARG A 40 27.693 -12.471 15.717 1.00 0.00 H new ATOM 0 HH11 ARG A 40 26.844 -15.682 16.913 1.00 0.00 H new ATOM 0 HH12 ARG A 40 26.116 -15.063 18.399 1.00 0.00 H new ATOM 0 HH21 ARG A 40 26.757 -11.683 17.628 1.00 0.00 H new ATOM 0 HH22 ARG A 40 26.067 -12.807 18.802 1.00 0.00 H new ATOM 624 N GLU A 41 29.808 -17.702 14.354 1.00 0.00 N ATOM 625 CA GLU A 41 29.682 -19.145 14.522 1.00 0.00 C ATOM 626 C GLU A 41 31.042 -19.783 14.788 1.00 0.00 C ATOM 627 O GLU A 41 32.029 -19.088 15.026 1.00 0.00 O ATOM 628 CB GLU A 41 29.047 -19.771 13.278 1.00 0.00 C ATOM 629 CG GLU A 41 27.834 -19.012 12.766 1.00 0.00 C ATOM 630 CD GLU A 41 26.732 -18.905 13.802 1.00 0.00 C ATOM 631 OE1 GLU A 41 26.758 -17.943 14.598 1.00 0.00 O ATOM 632 OE2 GLU A 41 25.845 -19.783 13.817 1.00 0.00 O ATOM 0 H GLU A 41 29.252 -17.151 15.008 1.00 0.00 H new ATOM 0 HA GLU A 41 29.039 -19.330 15.383 1.00 0.00 H new ATOM 0 HB2 GLU A 41 29.794 -19.822 12.486 1.00 0.00 H new ATOM 0 HB3 GLU A 41 28.754 -20.796 13.507 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.139 -18.011 12.461 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.446 -19.512 11.878 1.00 0.00 H new ATOM 639 N ALA A 42 31.084 -21.111 14.747 1.00 0.00 N ATOM 640 CA ALA A 42 32.322 -21.843 14.983 1.00 0.00 C ATOM 641 C ALA A 42 33.449 -21.314 14.102 1.00 0.00 C ATOM 642 O ALA A 42 34.614 -21.318 14.498 1.00 0.00 O ATOM 643 CB ALA A 42 32.111 -23.330 14.736 1.00 0.00 C ATOM 0 H ALA A 42 30.275 -21.701 14.553 1.00 0.00 H new ATOM 0 HA ALA A 42 32.610 -21.695 16.024 1.00 0.00 H new ATOM 0 HB1 ALA A 42 33.044 -23.865 14.916 1.00 0.00 H new ATOM 0 HB2 ALA A 42 31.342 -23.705 15.411 1.00 0.00 H new ATOM 0 HB3 ALA A 42 31.796 -23.486 13.704 1.00 0.00 H new ATOM 649 N GLY A 43 33.094 -20.858 12.904 1.00 0.00 N ATOM 650 CA GLY A 43 34.087 -20.333 11.986 1.00 0.00 C ATOM 651 C GLY A 43 33.500 -19.987 10.632 1.00 0.00 C ATOM 652 O GLY A 43 34.161 -20.135 9.604 1.00 0.00 O ATOM 0 H GLY A 43 32.136 -20.843 12.554 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.543 -19.443 12.419 1.00 0.00 H new ATOM 0 HA3 GLY A 43 34.882 -21.067 11.857 1.00 0.00 H new ATOM 656 N LYS A 44 32.254 -19.526 10.630 1.00 0.00 N ATOM 657 CA LYS A 44 31.576 -19.158 9.393 1.00 0.00 C ATOM 658 C LYS A 44 31.409 -17.645 9.293 1.00 0.00 C ATOM 659 O LYS A 44 30.878 -17.009 10.203 1.00 0.00 O ATOM 660 CB LYS A 44 30.208 -19.839 9.315 1.00 0.00 C ATOM 661 CG LYS A 44 30.287 -21.351 9.194 1.00 0.00 C ATOM 662 CD LYS A 44 30.096 -22.029 10.541 1.00 0.00 C ATOM 663 CE LYS A 44 30.297 -23.533 10.441 1.00 0.00 C ATOM 664 NZ LYS A 44 29.001 -24.261 10.352 1.00 0.00 N ATOM 0 H LYS A 44 31.693 -19.398 11.472 1.00 0.00 H new ATOM 0 HA LYS A 44 32.190 -19.494 8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 44 29.633 -19.584 10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 44 29.662 -19.442 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 44 29.525 -21.702 8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 44 31.254 -21.634 8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 44 30.800 -21.614 11.262 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.095 -21.819 10.917 1.00 0.00 H new ATOM 0 HE2 LYS A 44 30.903 -23.761 9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.852 -23.884 11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 29.181 -25.283 10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 28.433 -24.064 11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 28.483 -23.945 9.508 1.00 0.00 H new ATOM 678 N GLU A 45 31.864 -17.076 8.181 1.00 0.00 N ATOM 679 CA GLU A 45 31.764 -15.638 7.963 1.00 0.00 C ATOM 680 C GLU A 45 30.445 -15.281 7.284 1.00 0.00 C ATOM 681 O GLU A 45 30.090 -15.855 6.254 1.00 0.00 O ATOM 682 CB GLU A 45 32.938 -15.145 7.114 1.00 0.00 C ATOM 683 CG GLU A 45 34.020 -14.445 7.919 1.00 0.00 C ATOM 684 CD GLU A 45 35.015 -15.414 8.525 1.00 0.00 C ATOM 685 OE1 GLU A 45 34.789 -16.638 8.425 1.00 0.00 O ATOM 686 OE2 GLU A 45 36.021 -14.949 9.101 1.00 0.00 O ATOM 0 H GLU A 45 32.305 -17.589 7.418 1.00 0.00 H new ATOM 0 HA GLU A 45 31.797 -15.146 8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.378 -15.994 6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.563 -14.461 6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.549 -13.742 7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 45 33.556 -13.862 8.714 1.00 0.00 H new ATOM 693 N SER A 46 29.723 -14.330 7.868 1.00 0.00 N ATOM 694 CA SER A 46 28.441 -13.899 7.323 1.00 0.00 C ATOM 695 C SER A 46 28.556 -12.513 6.697 1.00 0.00 C ATOM 696 O SER A 46 29.339 -11.677 7.149 1.00 0.00 O ATOM 697 CB SER A 46 27.374 -13.890 8.419 1.00 0.00 C ATOM 698 OG SER A 46 27.670 -14.841 9.426 1.00 0.00 O ATOM 0 H SER A 46 30.004 -13.843 8.719 1.00 0.00 H new ATOM 0 HA SER A 46 28.148 -14.606 6.547 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.310 -12.896 8.861 1.00 0.00 H new ATOM 0 HB3 SER A 46 26.399 -14.108 7.984 1.00 0.00 H new ATOM 0 HG SER A 46 26.974 -14.814 10.116 1.00 0.00 H new ATOM 704 N CYS A 47 27.769 -12.275 5.652 1.00 0.00 N ATOM 705 CA CYS A 47 27.780 -10.991 4.962 1.00 0.00 C ATOM 706 C CYS A 47 26.457 -10.257 5.157 1.00 0.00 C ATOM 707 O CYS A 47 25.402 -10.736 4.741 1.00 0.00 O ATOM 708 CB CYS A 47 28.049 -11.193 3.470 1.00 0.00 C ATOM 709 SG CYS A 47 28.982 -9.836 2.692 1.00 0.00 S ATOM 0 H CYS A 47 27.115 -12.956 5.265 1.00 0.00 H new ATOM 0 HA CYS A 47 28.578 -10.384 5.389 1.00 0.00 H new ATOM 0 HB2 CYS A 47 28.600 -12.123 3.334 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.097 -11.308 2.952 1.00 0.00 H new ATOM 714 N PHE A 48 26.521 -9.091 5.793 1.00 0.00 N ATOM 715 CA PHE A 48 25.329 -8.291 6.044 1.00 0.00 C ATOM 716 C PHE A 48 25.313 -7.047 5.161 1.00 0.00 C ATOM 717 O PHE A 48 26.240 -6.237 5.192 1.00 0.00 O ATOM 718 CB PHE A 48 25.262 -7.885 7.518 1.00 0.00 C ATOM 719 CG PHE A 48 26.567 -7.373 8.058 1.00 0.00 C ATOM 720 CD1 PHE A 48 27.528 -8.251 8.531 1.00 0.00 C ATOM 721 CD2 PHE A 48 26.832 -6.013 8.092 1.00 0.00 C ATOM 722 CE1 PHE A 48 28.730 -7.783 9.029 1.00 0.00 C ATOM 723 CE2 PHE A 48 28.033 -5.540 8.587 1.00 0.00 C ATOM 724 CZ PHE A 48 28.982 -6.426 9.057 1.00 0.00 C ATOM 0 H PHE A 48 27.386 -8.680 6.144 1.00 0.00 H new ATOM 0 HA PHE A 48 24.457 -8.898 5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 48 24.500 -7.115 7.640 1.00 0.00 H new ATOM 0 HB3 PHE A 48 24.945 -8.744 8.109 1.00 0.00 H new ATOM 0 HD1 PHE A 48 27.336 -9.314 8.511 1.00 0.00 H new ATOM 0 HD2 PHE A 48 26.092 -5.315 7.728 1.00 0.00 H new ATOM 0 HE1 PHE A 48 29.471 -8.478 9.396 1.00 0.00 H new ATOM 0 HE2 PHE A 48 28.229 -4.478 8.606 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.920 -6.058 9.446 1.00 0.00 H new ATOM 734 N CYS A 49 24.253 -6.901 4.373 1.00 0.00 N ATOM 735 CA CYS A 49 24.114 -5.758 3.479 1.00 0.00 C ATOM 736 C CYS A 49 22.782 -5.049 3.705 1.00 0.00 C ATOM 737 O CYS A 49 21.783 -5.679 4.054 1.00 0.00 O ATOM 738 CB CYS A 49 24.224 -6.207 2.021 1.00 0.00 C ATOM 739 SG CYS A 49 25.477 -7.498 1.733 1.00 0.00 S ATOM 0 H CYS A 49 23.477 -7.561 4.336 1.00 0.00 H new ATOM 0 HA CYS A 49 24.920 -5.058 3.698 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.253 -6.578 1.692 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.461 -5.341 1.402 1.00 0.00 H new ATOM 744 N TYR A 50 22.775 -3.736 3.504 1.00 0.00 N ATOM 745 CA TYR A 50 21.566 -2.941 3.687 1.00 0.00 C ATOM 746 C TYR A 50 21.207 -2.192 2.407 1.00 0.00 C ATOM 747 O TYR A 50 22.069 -1.599 1.758 1.00 0.00 O ATOM 748 CB TYR A 50 21.753 -1.949 4.836 1.00 0.00 C ATOM 749 CG TYR A 50 22.210 -2.594 6.125 1.00 0.00 C ATOM 750 CD1 TYR A 50 21.291 -3.076 7.048 1.00 0.00 C ATOM 751 CD2 TYR A 50 23.562 -2.723 6.419 1.00 0.00 C ATOM 752 CE1 TYR A 50 21.704 -3.666 8.227 1.00 0.00 C ATOM 753 CE2 TYR A 50 23.985 -3.313 7.595 1.00 0.00 C ATOM 754 CZ TYR A 50 23.052 -3.782 8.496 1.00 0.00 C ATOM 755 OH TYR A 50 23.467 -4.370 9.669 1.00 0.00 O ATOM 0 H TYR A 50 23.593 -3.200 3.214 1.00 0.00 H new ATOM 0 HA TYR A 50 20.749 -3.620 3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 50 22.482 -1.195 4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 50 20.811 -1.430 5.013 1.00 0.00 H new ATOM 0 HD1 TYR A 50 20.235 -2.988 6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 50 24.295 -2.356 5.716 1.00 0.00 H new ATOM 0 HE1 TYR A 50 20.976 -4.034 8.934 1.00 0.00 H new ATOM 0 HE2 TYR A 50 25.040 -3.406 7.807 1.00 0.00 H new ATOM 0 HH TYR A 50 24.446 -4.374 9.704 1.00 0.00 H new ATOM 765 N PHE A 51 19.927 -2.224 2.051 1.00 0.00 N ATOM 766 CA PHE A 51 19.452 -1.549 0.849 1.00 0.00 C ATOM 767 C PHE A 51 18.001 -1.105 1.012 1.00 0.00 C ATOM 768 O PHE A 51 17.175 -1.837 1.558 1.00 0.00 O ATOM 769 CB PHE A 51 19.582 -2.471 -0.365 1.00 0.00 C ATOM 770 CG PHE A 51 18.775 -2.021 -1.549 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.172 -0.925 -2.298 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.620 -2.694 -1.914 1.00 0.00 C ATOM 773 CE1 PHE A 51 18.432 -0.508 -3.389 1.00 0.00 C ATOM 774 CE2 PHE A 51 16.877 -2.282 -3.004 1.00 0.00 C ATOM 775 CZ PHE A 51 17.282 -1.187 -3.741 1.00 0.00 C ATOM 0 H PHE A 51 19.201 -2.710 2.577 1.00 0.00 H new ATOM 0 HA PHE A 51 20.069 -0.664 0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.631 -2.533 -0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 51 19.269 -3.476 -0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 51 20.070 -0.390 -2.026 1.00 0.00 H new ATOM 0 HD2 PHE A 51 17.297 -3.550 -1.340 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.753 0.347 -3.965 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.980 -2.816 -3.279 1.00 0.00 H new ATOM 0 HZ PHE A 51 16.701 -0.862 -4.591 1.00 0.00 H new ATOM 785 N ASP A 52 17.700 0.097 0.535 1.00 0.00 N ATOM 786 CA ASP A 52 16.349 0.640 0.627 1.00 0.00 C ATOM 787 C ASP A 52 15.392 -0.131 -0.277 1.00 0.00 C ATOM 788 O ASP A 52 15.577 -0.184 -1.494 1.00 0.00 O ATOM 789 CB ASP A 52 16.345 2.122 0.250 1.00 0.00 C ATOM 790 CG ASP A 52 17.225 2.417 -0.949 1.00 0.00 C ATOM 791 OD1 ASP A 52 16.833 2.051 -2.076 1.00 0.00 O ATOM 792 OD2 ASP A 52 18.306 3.013 -0.759 1.00 0.00 O ATOM 0 H ASP A 52 18.373 0.715 0.081 1.00 0.00 H new ATOM 0 HA ASP A 52 16.011 0.535 1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.324 2.436 0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.686 2.711 1.101 1.00 0.00 H new ATOM 797 N CYS A 53 14.368 -0.727 0.325 1.00 0.00 N ATOM 798 CA CYS A 53 13.382 -1.496 -0.425 1.00 0.00 C ATOM 799 C CYS A 53 11.989 -0.892 -0.269 1.00 0.00 C ATOM 800 O CYS A 53 11.673 -0.290 0.757 1.00 0.00 O ATOM 801 CB CYS A 53 13.374 -2.951 0.046 1.00 0.00 C ATOM 802 SG CYS A 53 13.050 -3.155 1.827 1.00 0.00 S ATOM 0 H CYS A 53 14.199 -0.692 1.330 1.00 0.00 H new ATOM 0 HA CYS A 53 13.658 -1.464 -1.479 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.617 -3.499 -0.515 1.00 0.00 H new ATOM 0 HB3 CYS A 53 14.337 -3.404 -0.191 1.00 0.00 H new ATOM 807 N SER A 54 11.160 -1.059 -1.294 1.00 0.00 N ATOM 808 CA SER A 54 9.801 -0.528 -1.274 1.00 0.00 C ATOM 809 C SER A 54 9.802 0.951 -0.901 1.00 0.00 C ATOM 810 O SER A 54 9.168 1.360 0.072 1.00 0.00 O ATOM 811 CB SER A 54 8.939 -1.314 -0.284 1.00 0.00 C ATOM 812 OG SER A 54 8.504 -2.539 -0.848 1.00 0.00 O ATOM 0 H SER A 54 11.405 -1.558 -2.149 1.00 0.00 H new ATOM 0 HA SER A 54 9.381 -0.633 -2.274 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.509 -1.510 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.075 -0.716 0.005 1.00 0.00 H new ATOM 0 HG SER A 54 7.957 -3.023 -0.195 1.00 0.00 H new ATOM 818 N LYS A 55 10.519 1.751 -1.683 1.00 0.00 N ATOM 819 CA LYS A 55 10.604 3.186 -1.439 1.00 0.00 C ATOM 820 C LYS A 55 11.536 3.485 -0.270 1.00 0.00 C ATOM 821 O LYS A 55 12.503 4.235 -0.411 1.00 0.00 O ATOM 822 CB LYS A 55 9.213 3.758 -1.155 1.00 0.00 C ATOM 823 CG LYS A 55 8.892 5.005 -1.962 1.00 0.00 C ATOM 824 CD LYS A 55 8.400 4.656 -3.356 1.00 0.00 C ATOM 825 CE LYS A 55 6.956 4.179 -3.335 1.00 0.00 C ATOM 826 NZ LYS A 55 6.033 5.228 -2.820 1.00 0.00 N ATOM 0 H LYS A 55 11.050 1.429 -2.492 1.00 0.00 H new ATOM 0 HA LYS A 55 11.010 3.658 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.465 2.995 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.135 3.992 -0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.133 5.590 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.781 5.631 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.486 5.529 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.035 3.879 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.654 3.892 -4.342 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.877 3.288 -2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.070 5.045 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.034 5.211 -1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.349 6.162 -3.152 1.00 0.00 H new