USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 34 CYS SG :(H bumps) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0948 USER MOD Single : A 17 ASN : amide:sc= -0.525 X(o=-0.53,f=-0.039) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -176:sc= -0.0484 (180deg=-0.0665) USER MOD Single : A 50 SER OG : rot -47:sc= 0.559 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0986 X(o=-0.099,f=-0.57) USER MOD Single : A 59 LYS NZ :NH3+ 151:sc= -0.0639 (180deg=-0.444) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -27.056 6.811 2.784 1.00 0.00 N ATOM 2 CA ALA A 2 -26.387 8.068 2.358 1.00 0.00 C ATOM 3 C ALA A 2 -25.735 7.905 0.989 1.00 0.00 C ATOM 4 O ALA A 2 -24.908 7.015 0.786 1.00 0.00 O ATOM 5 CB ALA A 2 -25.349 8.487 3.388 1.00 0.00 C ATOM 0 HA ALA A 2 -27.146 8.847 2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -24.866 9.409 3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -25.836 8.651 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -24.600 7.702 3.490 1.00 0.00 H new ATOM 10 N SER A 3 -26.114 8.768 0.053 1.00 0.00 N ATOM 11 CA SER A 3 -25.567 8.719 -1.298 1.00 0.00 C ATOM 12 C SER A 3 -24.453 9.747 -1.471 1.00 0.00 C ATOM 13 O SER A 3 -24.266 10.297 -2.557 1.00 0.00 O ATOM 14 CB SER A 3 -26.672 8.970 -2.327 1.00 0.00 C ATOM 15 OG SER A 3 -27.612 7.909 -2.335 1.00 0.00 O ATOM 0 H SER A 3 -26.798 9.510 0.205 1.00 0.00 H new ATOM 0 HA SER A 3 -25.149 7.725 -1.458 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.179 9.908 -2.099 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.232 9.078 -3.319 1.00 0.00 H new ATOM 0 HG SER A 3 -28.308 8.094 -2.999 1.00 0.00 H new ATOM 21 N THR A 4 -23.717 10.002 -0.394 1.00 0.00 N ATOM 22 CA THR A 4 -22.622 10.964 -0.426 1.00 0.00 C ATOM 23 C THR A 4 -21.271 10.256 -0.377 1.00 0.00 C ATOM 24 O THR A 4 -20.276 10.759 -0.898 1.00 0.00 O ATOM 25 CB THR A 4 -22.741 11.943 0.743 1.00 0.00 C ATOM 26 OG1 THR A 4 -23.254 11.292 1.892 1.00 0.00 O ATOM 27 CG2 THR A 4 -23.637 13.125 0.445 1.00 0.00 C ATOM 0 H THR A 4 -23.859 9.555 0.512 1.00 0.00 H new ATOM 0 HA THR A 4 -22.687 11.518 -1.363 1.00 0.00 H new ATOM 0 HB THR A 4 -21.730 12.310 0.916 1.00 0.00 H new ATOM 0 HG1 THR A 4 -23.321 11.934 2.629 1.00 0.00 H new ATOM 0 HG21 THR A 4 -23.677 13.780 1.316 1.00 0.00 H new ATOM 0 HG22 THR A 4 -23.239 13.678 -0.406 1.00 0.00 H new ATOM 0 HG23 THR A 4 -24.641 12.771 0.211 1.00 0.00 H new ATOM 35 N SER A 5 -21.244 9.087 0.254 1.00 0.00 N ATOM 36 CA SER A 5 -20.014 8.311 0.373 1.00 0.00 C ATOM 37 C SER A 5 -19.884 7.314 -0.775 1.00 0.00 C ATOM 38 O SER A 5 -20.730 7.267 -1.668 1.00 0.00 O ATOM 39 CB SER A 5 -19.981 7.573 1.714 1.00 0.00 C ATOM 40 OG SER A 5 -18.790 7.861 2.426 1.00 0.00 O ATOM 0 H SER A 5 -22.059 8.656 0.691 1.00 0.00 H new ATOM 0 HA SER A 5 -19.172 9.001 0.325 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.845 7.862 2.313 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.056 6.499 1.543 1.00 0.00 H new ATOM 0 HG SER A 5 -18.794 7.379 3.279 1.00 0.00 H new ATOM 46 N ARG A 6 -18.820 6.517 -0.742 1.00 0.00 N ATOM 47 CA ARG A 6 -18.578 5.518 -1.776 1.00 0.00 C ATOM 48 C ARG A 6 -18.537 4.116 -1.175 1.00 0.00 C ATOM 49 O ARG A 6 -19.519 3.375 -1.237 1.00 0.00 O ATOM 50 CB ARG A 6 -17.268 5.817 -2.508 1.00 0.00 C ATOM 51 CG ARG A 6 -17.379 6.953 -3.512 1.00 0.00 C ATOM 52 CD ARG A 6 -16.169 7.010 -4.433 1.00 0.00 C ATOM 53 NE ARG A 6 -16.549 6.913 -5.840 1.00 0.00 N ATOM 54 CZ ARG A 6 -17.156 7.890 -6.512 1.00 0.00 C ATOM 55 NH1 ARG A 6 -17.453 9.035 -5.910 1.00 0.00 N ATOM 56 NH2 ARG A 6 -17.467 7.719 -7.789 1.00 0.00 N ATOM 0 H ARG A 6 -18.111 6.544 -0.009 1.00 0.00 H new ATOM 0 HA ARG A 6 -19.399 5.562 -2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.500 6.064 -1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -16.937 4.917 -3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.283 6.826 -4.107 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -17.477 7.900 -2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.630 7.942 -4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.486 6.198 -4.185 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.337 6.047 -6.337 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.216 9.171 -4.927 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -17.918 9.779 -6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -17.242 6.840 -8.256 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.932 8.466 -8.305 1.00 0.00 H new ATOM 70 N LEU A 7 -17.399 3.759 -0.584 1.00 0.00 N ATOM 71 CA LEU A 7 -17.240 2.449 0.035 1.00 0.00 C ATOM 72 C LEU A 7 -16.535 2.575 1.389 1.00 0.00 C ATOM 73 O LEU A 7 -17.164 2.946 2.380 1.00 0.00 O ATOM 74 CB LEU A 7 -16.474 1.504 -0.899 1.00 0.00 C ATOM 75 CG LEU A 7 -17.339 0.761 -1.919 1.00 0.00 C ATOM 76 CD1 LEU A 7 -16.527 0.412 -3.157 1.00 0.00 C ATOM 77 CD2 LEU A 7 -17.936 -0.492 -1.297 1.00 0.00 C ATOM 0 H LEU A 7 -16.576 4.358 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 7 -18.229 2.025 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -15.720 2.080 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -15.943 0.770 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.155 1.417 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -17.160 -0.116 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -16.150 1.327 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.689 -0.225 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.548 -1.009 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -17.134 -1.151 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.554 -0.215 -0.443 1.00 0.00 H new ATOM 89 N ASP A 8 -15.232 2.275 1.432 1.00 0.00 N ATOM 90 CA ASP A 8 -14.459 2.367 2.674 1.00 0.00 C ATOM 91 C ASP A 8 -13.126 1.632 2.551 1.00 0.00 C ATOM 92 O ASP A 8 -12.670 1.001 3.507 1.00 0.00 O ATOM 93 CB ASP A 8 -15.250 1.791 3.856 1.00 0.00 C ATOM 94 CG ASP A 8 -15.992 0.519 3.495 1.00 0.00 C ATOM 95 OD1 ASP A 8 -15.674 -0.077 2.444 1.00 0.00 O ATOM 96 OD2 ASP A 8 -16.892 0.118 4.263 1.00 0.00 O ATOM 0 H ASP A 8 -14.693 1.967 0.623 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.264 3.424 2.855 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.567 1.588 4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.963 2.536 4.209 1.00 0.00 H new ATOM 101 N ALA A 9 -12.498 1.711 1.380 1.00 0.00 N ATOM 102 CA ALA A 9 -11.217 1.045 1.157 1.00 0.00 C ATOM 103 C ALA A 9 -10.788 1.126 -0.305 1.00 0.00 C ATOM 104 O ALA A 9 -11.523 1.630 -1.155 1.00 0.00 O ATOM 105 CB ALA A 9 -11.289 -0.410 1.604 1.00 0.00 C ATOM 0 H ALA A 9 -12.853 2.227 0.575 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.468 1.565 1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.327 -0.892 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.531 -0.453 2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.061 -0.928 1.035 1.00 0.00 H new ATOM 111 N LEU A 10 -9.593 0.615 -0.586 1.00 0.00 N ATOM 112 CA LEU A 10 -9.051 0.612 -1.940 1.00 0.00 C ATOM 113 C LEU A 10 -9.209 -0.770 -2.574 1.00 0.00 C ATOM 114 O LEU A 10 -9.484 -1.746 -1.875 1.00 0.00 O ATOM 115 CB LEU A 10 -7.572 1.017 -1.918 1.00 0.00 C ATOM 116 CG LEU A 10 -6.755 0.440 -0.758 1.00 0.00 C ATOM 117 CD1 LEU A 10 -5.383 -0.010 -1.239 1.00 0.00 C ATOM 118 CD2 LEU A 10 -6.622 1.465 0.360 1.00 0.00 C ATOM 0 H LEU A 10 -8.978 0.195 0.111 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.606 1.335 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.112 0.705 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.510 2.105 -1.879 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.281 -0.431 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.819 -0.417 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.499 -0.778 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.847 0.842 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.039 1.039 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.119 2.354 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.613 1.736 0.725 1.00 0.00 H new ATOM 130 N PRO A 11 -9.038 -0.876 -3.909 1.00 0.00 N ATOM 131 CA PRO A 11 -9.161 -2.140 -4.637 1.00 0.00 C ATOM 132 C PRO A 11 -8.622 -3.329 -3.843 1.00 0.00 C ATOM 133 O PRO A 11 -7.432 -3.395 -3.537 1.00 0.00 O ATOM 134 CB PRO A 11 -8.319 -1.908 -5.904 1.00 0.00 C ATOM 135 CG PRO A 11 -7.875 -0.473 -5.864 1.00 0.00 C ATOM 136 CD PRO A 11 -8.713 0.217 -4.825 1.00 0.00 C ATOM 0 HA PRO A 11 -10.202 -2.390 -4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.461 -2.579 -5.928 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.905 -2.108 -6.801 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.816 -0.404 -5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.004 -0.002 -6.839 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.165 1.016 -4.326 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.608 0.665 -5.257 1.00 0.00 H new ATOM 144 N ARG A 12 -9.515 -4.259 -3.505 1.00 0.00 N ATOM 145 CA ARG A 12 -9.150 -5.448 -2.736 1.00 0.00 C ATOM 146 C ARG A 12 -8.383 -5.066 -1.469 1.00 0.00 C ATOM 147 O ARG A 12 -8.081 -3.893 -1.248 1.00 0.00 O ATOM 148 CB ARG A 12 -8.338 -6.426 -3.599 1.00 0.00 C ATOM 149 CG ARG A 12 -6.872 -6.054 -3.777 1.00 0.00 C ATOM 150 CD ARG A 12 -6.063 -7.229 -4.308 1.00 0.00 C ATOM 151 NE ARG A 12 -4.833 -7.439 -3.546 1.00 0.00 N ATOM 152 CZ ARG A 12 -3.673 -6.849 -3.825 1.00 0.00 C ATOM 153 NH1 ARG A 12 -3.571 -6.011 -4.851 1.00 0.00 N ATOM 154 NH2 ARG A 12 -2.608 -7.099 -3.075 1.00 0.00 N ATOM 0 H ARG A 12 -10.503 -4.211 -3.754 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.068 -5.950 -2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.395 -7.418 -3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.803 -6.494 -4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.789 -5.212 -4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.459 -5.727 -2.823 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.671 -8.133 -4.271 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.815 -7.054 -5.355 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.866 -8.077 -2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.386 -5.815 -5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.678 -5.564 -5.057 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.679 -7.742 -2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.718 -6.648 -3.287 1.00 0.00 H new ATOM 168 N VAL A 13 -8.079 -6.052 -0.631 1.00 0.00 N ATOM 169 CA VAL A 13 -7.357 -5.789 0.609 1.00 0.00 C ATOM 170 C VAL A 13 -6.128 -6.687 0.751 1.00 0.00 C ATOM 171 O VAL A 13 -5.046 -6.335 0.284 1.00 0.00 O ATOM 172 CB VAL A 13 -8.263 -5.940 1.856 1.00 0.00 C ATOM 173 CG1 VAL A 13 -8.775 -4.579 2.306 1.00 0.00 C ATOM 174 CG2 VAL A 13 -9.427 -6.887 1.586 1.00 0.00 C ATOM 0 H VAL A 13 -8.319 -7.031 -0.785 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.026 -4.752 0.551 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.663 -6.372 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.410 -4.701 3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.930 -3.937 2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.352 -4.123 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.043 -6.971 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.030 -6.498 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.041 -7.871 1.318 1.00 0.00 H new ATOM 184 N THR A 14 -6.281 -7.834 1.413 1.00 0.00 N ATOM 185 CA THR A 14 -5.168 -8.753 1.628 1.00 0.00 C ATOM 186 C THR A 14 -4.674 -9.381 0.332 1.00 0.00 C ATOM 187 O THR A 14 -5.057 -8.982 -0.768 1.00 0.00 O ATOM 188 CB THR A 14 -5.588 -9.849 2.610 1.00 0.00 C ATOM 189 OG1 THR A 14 -6.985 -10.070 2.543 1.00 0.00 O ATOM 190 CG2 THR A 14 -5.244 -9.527 4.047 1.00 0.00 C ATOM 0 H THR A 14 -7.167 -8.147 1.809 1.00 0.00 H new ATOM 0 HA THR A 14 -4.342 -8.175 2.042 1.00 0.00 H new ATOM 0 HB THR A 14 -5.031 -10.737 2.310 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.235 -10.775 3.176 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.569 -10.344 4.691 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.166 -9.396 4.143 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.749 -8.608 4.345 1.00 0.00 H new ATOM 198 N CYS A 15 -3.755 -10.318 0.499 1.00 0.00 N ATOM 199 CA CYS A 15 -3.095 -10.985 -0.607 1.00 0.00 C ATOM 200 C CYS A 15 -3.938 -11.980 -1.389 1.00 0.00 C ATOM 201 O CYS A 15 -4.546 -12.890 -0.830 1.00 0.00 O ATOM 202 CB CYS A 15 -1.877 -11.719 -0.091 1.00 0.00 C ATOM 203 SG CYS A 15 -0.405 -11.543 -1.141 1.00 0.00 S ATOM 0 H CYS A 15 -3.444 -10.639 1.416 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.854 -10.182 -1.303 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.643 -11.354 0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.118 -12.778 0.005 1.00 0.00 H new ATOM 208 N PRO A 16 -3.849 -11.881 -2.721 1.00 0.00 N ATOM 209 CA PRO A 16 -4.457 -12.827 -3.620 1.00 0.00 C ATOM 210 C PRO A 16 -3.450 -13.939 -3.682 1.00 0.00 C ATOM 211 O PRO A 16 -2.599 -13.992 -4.562 1.00 0.00 O ATOM 212 CB PRO A 16 -4.516 -12.060 -4.929 1.00 0.00 C ATOM 213 CG PRO A 16 -3.257 -11.268 -4.903 1.00 0.00 C ATOM 214 CD PRO A 16 -3.011 -10.919 -3.458 1.00 0.00 C ATOM 0 HA PRO A 16 -5.440 -13.220 -3.360 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.555 -12.729 -5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.396 -11.419 -4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.426 -11.844 -5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.350 -10.368 -5.511 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.958 -11.021 -3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.296 -9.890 -3.240 1.00 0.00 H new ATOM 222 N ASN A 17 -3.498 -14.782 -2.694 1.00 0.00 N ATOM 223 CA ASN A 17 -2.564 -15.866 -2.514 1.00 0.00 C ATOM 224 C ASN A 17 -2.698 -16.173 -1.040 1.00 0.00 C ATOM 225 O ASN A 17 -2.887 -17.306 -0.627 1.00 0.00 O ATOM 226 CB ASN A 17 -1.127 -15.468 -2.872 1.00 0.00 C ATOM 227 CG ASN A 17 -0.640 -16.137 -4.143 1.00 0.00 C ATOM 228 OD1 ASN A 17 -0.593 -15.517 -5.205 1.00 0.00 O ATOM 229 ND2 ASN A 17 -0.275 -17.410 -4.038 1.00 0.00 N ATOM 0 H ASN A 17 -4.210 -14.737 -1.965 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.775 -16.716 -3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.072 -14.386 -2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.464 -15.733 -2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.061 -17.914 -4.859 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.331 -17.884 -3.136 1.00 0.00 H new ATOM 236 N HIS A 18 -2.720 -15.087 -0.288 1.00 0.00 N ATOM 237 CA HIS A 18 -2.964 -15.162 1.137 1.00 0.00 C ATOM 238 C HIS A 18 -3.928 -14.091 1.603 1.00 0.00 C ATOM 239 O HIS A 18 -3.523 -13.057 2.133 1.00 0.00 O ATOM 240 CB HIS A 18 -1.719 -15.112 1.993 1.00 0.00 C ATOM 241 CG HIS A 18 -0.559 -14.472 1.390 1.00 0.00 C ATOM 242 ND1 HIS A 18 -0.232 -14.596 0.087 1.00 0.00 N ATOM 243 CD2 HIS A 18 0.286 -13.608 1.965 1.00 0.00 C ATOM 244 CE1 HIS A 18 0.783 -13.816 -0.124 1.00 0.00 C ATOM 245 NE2 HIS A 18 1.143 -13.192 0.991 1.00 0.00 N ATOM 0 H HIS A 18 -2.571 -14.142 -0.643 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.407 -16.148 1.274 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.959 -14.589 2.919 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.447 -16.132 2.265 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -0.695 -15.190 -0.601 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.288 -13.300 3.000 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.270 -13.691 -1.080 1.00 0.00 H new ATOM 253 N PRO A 19 -5.235 -14.362 1.462 1.00 0.00 N ATOM 254 CA PRO A 19 -6.287 -13.455 1.925 1.00 0.00 C ATOM 255 C PRO A 19 -6.380 -13.474 3.452 1.00 0.00 C ATOM 256 O PRO A 19 -7.434 -13.211 4.029 1.00 0.00 O ATOM 257 CB PRO A 19 -7.550 -14.056 1.313 1.00 0.00 C ATOM 258 CG PRO A 19 -7.248 -15.513 1.232 1.00 0.00 C ATOM 259 CD PRO A 19 -5.793 -15.601 0.881 1.00 0.00 C ATOM 0 HA PRO A 19 -6.115 -12.417 1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.426 -13.863 1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.757 -13.635 0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.454 -16.010 2.180 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.864 -16.000 0.476 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.328 -16.491 1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.640 -15.646 -0.197 1.00 0.00 H new ATOM 267 N ASP A 20 -5.255 -13.795 4.088 1.00 0.00 N ATOM 268 CA ASP A 20 -5.167 -13.864 5.539 1.00 0.00 C ATOM 269 C ASP A 20 -3.787 -13.400 6.025 1.00 0.00 C ATOM 270 O ASP A 20 -3.580 -13.178 7.215 1.00 0.00 O ATOM 271 CB ASP A 20 -5.436 -15.292 6.019 1.00 0.00 C ATOM 272 CG ASP A 20 -6.875 -15.494 6.453 1.00 0.00 C ATOM 273 OD1 ASP A 20 -7.196 -15.165 7.614 1.00 0.00 O ATOM 274 OD2 ASP A 20 -7.679 -15.982 5.631 1.00 0.00 O ATOM 0 H ASP A 20 -4.381 -14.014 3.609 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.923 -13.199 5.957 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.199 -15.992 5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.772 -15.524 6.852 1.00 0.00 H new ATOM 279 N ALA A 21 -2.866 -13.171 5.095 1.00 0.00 N ATOM 280 CA ALA A 21 -1.548 -12.661 5.437 1.00 0.00 C ATOM 281 C ALA A 21 -1.359 -11.370 4.679 1.00 0.00 C ATOM 282 O ALA A 21 -0.736 -11.324 3.617 1.00 0.00 O ATOM 283 CB ALA A 21 -0.449 -13.668 5.129 1.00 0.00 C ATOM 0 H ALA A 21 -3.011 -13.331 4.098 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.480 -12.482 6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.518 -13.245 5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.620 -14.580 5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.457 -13.901 4.064 1.00 0.00 H new ATOM 289 N ILE A 22 -1.972 -10.345 5.222 1.00 0.00 N ATOM 290 CA ILE A 22 -1.974 -9.026 4.643 1.00 0.00 C ATOM 291 C ILE A 22 -0.622 -8.634 4.015 1.00 0.00 C ATOM 292 O ILE A 22 0.425 -9.198 4.332 1.00 0.00 O ATOM 293 CB ILE A 22 -2.368 -7.993 5.723 1.00 0.00 C ATOM 294 CG1 ILE A 22 -3.663 -8.407 6.431 1.00 0.00 C ATOM 295 CG2 ILE A 22 -2.523 -6.618 5.119 1.00 0.00 C ATOM 296 CD1 ILE A 22 -3.549 -8.417 7.940 1.00 0.00 C ATOM 0 H ILE A 22 -2.493 -10.408 6.096 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.703 -9.034 3.833 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.566 -7.961 6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.461 -7.725 6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.953 -9.401 6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.800 -5.908 5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.580 -6.311 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.301 -6.642 4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.502 -8.719 8.375 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.773 -9.121 8.242 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.290 -7.418 8.292 1.00 0.00 H new ATOM 308 N LEU A 23 -0.659 -7.553 3.247 1.00 0.00 N ATOM 309 CA LEU A 23 0.541 -6.965 2.702 1.00 0.00 C ATOM 310 C LEU A 23 0.993 -5.981 3.759 1.00 0.00 C ATOM 311 O LEU A 23 0.165 -5.301 4.351 1.00 0.00 O ATOM 312 CB LEU A 23 0.279 -6.286 1.363 1.00 0.00 C ATOM 313 CG LEU A 23 0.677 -7.122 0.152 1.00 0.00 C ATOM 314 CD1 LEU A 23 -0.525 -7.886 -0.381 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.293 -6.244 -0.906 1.00 0.00 C ATOM 0 H LEU A 23 -1.519 -7.068 2.990 1.00 0.00 H new ATOM 0 HA LEU A 23 1.306 -7.712 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.782 -6.045 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.823 -5.342 1.334 1.00 0.00 H new ATOM 0 HG LEU A 23 1.426 -7.855 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.225 -8.478 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.910 -8.547 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.303 -7.181 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.573 -6.852 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.572 -5.488 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.180 -5.756 -0.502 1.00 0.00 H new ATOM 327 N VAL A 24 2.268 -5.827 3.997 1.00 0.00 N ATOM 328 CA VAL A 24 2.687 -4.893 5.004 1.00 0.00 C ATOM 329 C VAL A 24 3.392 -3.730 4.376 1.00 0.00 C ATOM 330 O VAL A 24 4.318 -3.913 3.586 1.00 0.00 O ATOM 331 CB VAL A 24 3.623 -5.559 6.012 1.00 0.00 C ATOM 332 CG1 VAL A 24 3.994 -4.563 7.100 1.00 0.00 C ATOM 333 CG2 VAL A 24 2.986 -6.817 6.591 1.00 0.00 C ATOM 0 H VAL A 24 3.019 -6.324 3.519 1.00 0.00 H new ATOM 0 HA VAL A 24 1.795 -4.544 5.524 1.00 0.00 H new ATOM 0 HB VAL A 24 4.537 -5.868 5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.661 -5.040 7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.496 -3.705 6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.091 -4.229 7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.670 -7.275 7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.056 -6.555 7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.777 -7.522 5.787 1.00 0.00 H new ATOM 343 N GLU A 25 2.951 -2.528 4.693 1.00 0.00 N ATOM 344 CA GLU A 25 3.529 -1.364 4.132 1.00 0.00 C ATOM 345 C GLU A 25 5.029 -1.359 4.279 1.00 0.00 C ATOM 346 O GLU A 25 5.574 -1.344 5.382 1.00 0.00 O ATOM 347 CB GLU A 25 2.927 -0.101 4.754 1.00 0.00 C ATOM 348 CG GLU A 25 2.091 0.713 3.780 1.00 0.00 C ATOM 349 CD GLU A 25 2.480 2.179 3.757 1.00 0.00 C ATOM 350 OE1 GLU A 25 3.661 2.484 4.027 1.00 0.00 O ATOM 351 OE2 GLU A 25 1.604 3.021 3.470 1.00 0.00 O ATOM 0 H GLU A 25 2.186 -2.351 5.344 1.00 0.00 H new ATOM 0 HA GLU A 25 3.300 -1.371 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.307 -0.384 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.732 0.524 5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.200 0.297 2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.038 0.625 4.049 1.00 0.00 H new ATOM 358 N ASP A 26 5.663 -1.340 3.131 1.00 0.00 N ATOM 359 CA ASP A 26 7.091 -1.292 2.999 1.00 0.00 C ATOM 360 C ASP A 26 7.724 -2.672 2.915 1.00 0.00 C ATOM 361 O ASP A 26 7.051 -3.687 2.977 1.00 0.00 O ATOM 362 CB ASP A 26 7.741 -0.443 4.090 1.00 0.00 C ATOM 363 CG ASP A 26 8.545 0.705 3.515 1.00 0.00 C ATOM 364 OD1 ASP A 26 7.930 1.645 2.969 1.00 0.00 O ATOM 365 OD2 ASP A 26 9.789 0.664 3.608 1.00 0.00 O ATOM 0 H ASP A 26 5.177 -1.358 2.234 1.00 0.00 H new ATOM 0 HA ASP A 26 7.286 -0.802 2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.969 -0.049 4.751 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.391 -1.071 4.699 1.00 0.00 H new ATOM 370 N TYR A 27 9.034 -2.680 2.731 1.00 0.00 N ATOM 371 CA TYR A 27 9.818 -3.902 2.591 1.00 0.00 C ATOM 372 C TYR A 27 10.298 -4.041 1.157 1.00 0.00 C ATOM 373 O TYR A 27 9.535 -3.919 0.199 1.00 0.00 O ATOM 374 CB TYR A 27 9.066 -5.168 3.031 1.00 0.00 C ATOM 375 CG TYR A 27 9.004 -5.332 4.535 1.00 0.00 C ATOM 376 CD1 TYR A 27 10.154 -5.610 5.265 1.00 0.00 C ATOM 377 CD2 TYR A 27 7.804 -5.203 5.226 1.00 0.00 C ATOM 378 CE1 TYR A 27 10.109 -5.753 6.638 1.00 0.00 C ATOM 379 CE2 TYR A 27 7.753 -5.346 6.600 1.00 0.00 C ATOM 380 CZ TYR A 27 8.908 -5.620 7.300 1.00 0.00 C ATOM 381 OH TYR A 27 8.862 -5.760 8.669 1.00 0.00 O ATOM 0 H TYR A 27 9.593 -1.828 2.674 1.00 0.00 H new ATOM 0 HA TYR A 27 10.670 -3.809 3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.052 -5.137 2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.552 -6.041 2.596 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.098 -5.716 4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.897 -4.988 4.680 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.012 -5.968 7.191 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.813 -5.244 7.122 1.00 0.00 H new ATOM 0 HH TYR A 27 7.941 -5.636 8.980 1.00 0.00 H new ATOM 391 N ARG A 28 11.592 -4.272 1.051 1.00 0.00 N ATOM 392 CA ARG A 28 12.259 -4.409 -0.235 1.00 0.00 C ATOM 393 C ARG A 28 12.081 -3.129 -1.037 1.00 0.00 C ATOM 394 O ARG A 28 11.756 -3.162 -2.223 1.00 0.00 O ATOM 395 CB ARG A 28 11.702 -5.611 -1.002 1.00 0.00 C ATOM 396 CG ARG A 28 12.592 -6.842 -0.931 1.00 0.00 C ATOM 397 CD ARG A 28 12.947 -7.195 0.505 1.00 0.00 C ATOM 398 NE ARG A 28 13.944 -8.261 0.576 1.00 0.00 N ATOM 399 CZ ARG A 28 15.249 -8.070 0.398 1.00 0.00 C ATOM 400 NH1 ARG A 28 15.722 -6.856 0.143 1.00 0.00 N ATOM 401 NH2 ARG A 28 16.086 -9.095 0.476 1.00 0.00 N ATOM 0 H ARG A 28 12.214 -4.371 1.853 1.00 0.00 H new ATOM 0 HA ARG A 28 13.323 -4.580 -0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.718 -5.861 -0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.563 -5.333 -2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.085 -7.686 -1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.505 -6.664 -1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.327 -6.309 1.013 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.047 -7.505 1.035 1.00 0.00 H new ATOM 0 HE ARG A 28 13.620 -9.208 0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.084 -6.062 0.082 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.723 -6.717 0.008 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.730 -10.030 0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.086 -8.948 0.340 1.00 0.00 H new ATOM 415 N ALA A 29 12.272 -1.993 -0.364 1.00 0.00 N ATOM 416 CA ALA A 29 12.104 -0.697 -1.002 1.00 0.00 C ATOM 417 C ALA A 29 10.743 -0.640 -1.680 1.00 0.00 C ATOM 418 O ALA A 29 10.581 -0.021 -2.731 1.00 0.00 O ATOM 419 CB ALA A 29 13.216 -0.447 -2.010 1.00 0.00 C ATOM 0 H ALA A 29 12.542 -1.949 0.619 1.00 0.00 H new ATOM 0 HA ALA A 29 12.158 0.084 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.072 0.528 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.180 -0.467 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.194 -1.222 -2.776 1.00 0.00 H new ATOM 425 N GLY A 30 9.775 -1.327 -1.077 1.00 0.00 N ATOM 426 CA GLY A 30 8.447 -1.382 -1.644 1.00 0.00 C ATOM 427 C GLY A 30 7.392 -0.658 -0.828 1.00 0.00 C ATOM 428 O GLY A 30 7.600 -0.344 0.338 1.00 0.00 O ATOM 0 H GLY A 30 9.891 -1.845 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.474 -0.953 -2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.153 -2.426 -1.752 1.00 0.00 H new ATOM 432 N ASP A 31 6.242 -0.424 -1.458 1.00 0.00 N ATOM 433 CA ASP A 31 5.100 0.231 -0.808 1.00 0.00 C ATOM 434 C ASP A 31 4.469 -0.744 0.159 1.00 0.00 C ATOM 435 O ASP A 31 4.162 -0.421 1.303 1.00 0.00 O ATOM 436 CB ASP A 31 4.084 0.708 -1.855 1.00 0.00 C ATOM 437 CG ASP A 31 4.457 0.313 -3.276 1.00 0.00 C ATOM 438 OD1 ASP A 31 4.571 -0.901 -3.544 1.00 0.00 O ATOM 439 OD2 ASP A 31 4.652 1.215 -4.115 1.00 0.00 O ATOM 0 H ASP A 31 6.072 -0.681 -2.430 1.00 0.00 H new ATOM 0 HA ASP A 31 5.440 1.111 -0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.104 0.295 -1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.995 1.793 -1.798 1.00 0.00 H new ATOM 444 N MET A 32 4.274 -1.926 -0.365 1.00 0.00 N ATOM 445 CA MET A 32 3.674 -3.016 0.374 1.00 0.00 C ATOM 446 C MET A 32 4.311 -4.332 -0.024 1.00 0.00 C ATOM 447 O MET A 32 4.787 -4.478 -1.142 1.00 0.00 O ATOM 448 CB MET A 32 2.173 -3.013 0.148 1.00 0.00 C ATOM 449 CG MET A 32 1.455 -1.923 0.925 1.00 0.00 C ATOM 450 SD MET A 32 0.040 -2.544 1.854 1.00 0.00 S ATOM 451 CE MET A 32 -1.021 -3.101 0.522 1.00 0.00 C ATOM 0 H MET A 32 4.528 -2.165 -1.324 1.00 0.00 H new ATOM 0 HA MET A 32 3.852 -2.885 1.441 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.972 -2.885 -0.916 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.767 -3.983 0.435 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.157 -1.451 1.613 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.119 -1.151 0.233 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.969 -3.447 0.933 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.204 -2.276 -0.167 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.536 -3.919 -0.011 1.00 0.00 H new ATOM 461 N ILE A 33 4.337 -5.269 0.915 1.00 0.00 N ATOM 462 CA ILE A 33 4.937 -6.585 0.723 1.00 0.00 C ATOM 463 C ILE A 33 4.023 -7.610 1.350 1.00 0.00 C ATOM 464 O ILE A 33 3.539 -7.414 2.454 1.00 0.00 O ATOM 465 CB ILE A 33 6.339 -6.607 1.392 1.00 0.00 C ATOM 466 CG1 ILE A 33 7.320 -7.503 0.626 1.00 0.00 C ATOM 467 CG2 ILE A 33 6.245 -7.018 2.858 1.00 0.00 C ATOM 468 CD1 ILE A 33 7.447 -8.906 1.181 1.00 0.00 C ATOM 0 H ILE A 33 3.937 -5.136 1.844 1.00 0.00 H new ATOM 0 HA ILE A 33 5.061 -6.811 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 33 6.732 -5.591 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.001 -7.564 -0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.303 -7.033 0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.242 -7.024 3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.615 -6.309 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.811 -8.015 2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.160 -9.472 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.797 -8.859 2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.475 -9.399 1.150 1.00 0.00 H new ATOM 480 N CYS A 34 3.796 -8.710 0.680 1.00 0.00 N ATOM 481 CA CYS A 34 2.949 -9.740 1.219 1.00 0.00 C ATOM 482 C CYS A 34 3.849 -10.828 1.773 1.00 0.00 C ATOM 483 O CYS A 34 4.426 -11.601 1.007 1.00 0.00 O ATOM 484 CB CYS A 34 2.074 -10.216 0.099 1.00 0.00 C ATOM 485 SG CYS A 34 0.765 -11.340 0.565 1.00 0.00 S ATOM 0 H CYS A 34 4.186 -8.915 -0.240 1.00 0.00 H new ATOM 0 HA CYS A 34 2.307 -9.398 2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.627 -9.347 -0.384 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.702 -10.706 -0.645 1.00 0.00 H new ATOM 490 N PRO A 35 3.981 -10.876 3.121 1.00 0.00 N ATOM 491 CA PRO A 35 4.857 -11.804 3.842 1.00 0.00 C ATOM 492 C PRO A 35 4.833 -13.224 3.351 1.00 0.00 C ATOM 493 O PRO A 35 5.747 -13.989 3.646 1.00 0.00 O ATOM 494 CB PRO A 35 4.366 -11.739 5.296 1.00 0.00 C ATOM 495 CG PRO A 35 3.136 -10.905 5.267 1.00 0.00 C ATOM 496 CD PRO A 35 3.261 -10.019 4.064 1.00 0.00 C ATOM 0 HA PRO A 35 5.895 -11.504 3.700 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.154 -12.736 5.683 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.123 -11.299 5.946 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.244 -11.528 5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.045 -10.314 6.178 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.287 -9.717 3.678 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.813 -9.106 4.287 1.00 0.00 H new ATOM 504 N GLU A 36 3.858 -13.577 2.563 1.00 0.00 N ATOM 505 CA GLU A 36 3.817 -14.911 2.029 1.00 0.00 C ATOM 506 C GLU A 36 4.453 -14.859 0.676 1.00 0.00 C ATOM 507 O GLU A 36 5.590 -15.292 0.518 1.00 0.00 O ATOM 508 CB GLU A 36 2.399 -15.427 1.964 1.00 0.00 C ATOM 509 CG GLU A 36 1.932 -16.194 3.198 1.00 0.00 C ATOM 510 CD GLU A 36 3.010 -17.061 3.817 1.00 0.00 C ATOM 511 OE1 GLU A 36 3.191 -18.206 3.352 1.00 0.00 O ATOM 512 OE2 GLU A 36 3.670 -16.594 4.766 1.00 0.00 O ATOM 0 H GLU A 36 3.089 -12.970 2.278 1.00 0.00 H new ATOM 0 HA GLU A 36 4.359 -15.605 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.728 -14.582 1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.305 -16.077 1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.576 -15.483 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.084 -16.822 2.926 1.00 0.00 H new ATOM 519 N CYS A 37 3.758 -14.311 -0.314 1.00 0.00 N ATOM 520 CA CYS A 37 4.383 -14.235 -1.597 1.00 0.00 C ATOM 521 C CYS A 37 5.474 -13.235 -1.451 1.00 0.00 C ATOM 522 O CYS A 37 6.589 -13.530 -1.817 1.00 0.00 O ATOM 523 CB CYS A 37 3.475 -13.971 -2.813 1.00 0.00 C ATOM 524 SG CYS A 37 2.161 -12.757 -2.613 1.00 0.00 S ATOM 0 H CYS A 37 2.812 -13.935 -0.248 1.00 0.00 H new ATOM 0 HA CYS A 37 4.751 -15.228 -1.856 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.106 -13.652 -3.642 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.019 -14.917 -3.105 1.00 0.00 H new ATOM 529 N GLY A 38 5.204 -12.051 -0.888 1.00 0.00 N ATOM 530 CA GLY A 38 6.254 -11.088 -0.694 1.00 0.00 C ATOM 531 C GLY A 38 6.241 -10.029 -1.756 1.00 0.00 C ATOM 532 O GLY A 38 7.194 -9.266 -1.909 1.00 0.00 O ATOM 0 H GLY A 38 4.281 -11.756 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.144 -10.622 0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.218 -11.596 -0.699 1.00 0.00 H new ATOM 536 N LEU A 39 5.144 -9.991 -2.500 1.00 0.00 N ATOM 537 CA LEU A 39 4.955 -9.047 -3.572 1.00 0.00 C ATOM 538 C LEU A 39 5.090 -7.605 -3.093 1.00 0.00 C ATOM 539 O LEU A 39 5.435 -7.358 -1.938 1.00 0.00 O ATOM 540 CB LEU A 39 3.555 -9.255 -4.159 1.00 0.00 C ATOM 541 CG LEU A 39 2.429 -8.666 -3.300 1.00 0.00 C ATOM 542 CD1 LEU A 39 1.846 -7.445 -3.962 1.00 0.00 C ATOM 543 CD2 LEU A 39 1.333 -9.681 -3.001 1.00 0.00 C ATOM 0 H LEU A 39 4.356 -10.626 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 39 5.727 -9.219 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.516 -8.804 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.380 -10.323 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 39 2.872 -8.381 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.048 -7.039 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.625 -6.693 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.442 -7.718 -4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.561 -9.213 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.895 -10.029 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.758 -10.528 -2.462 1.00 0.00 H new ATOM 555 N VAL A 40 4.780 -6.693 -4.022 1.00 0.00 N ATOM 556 CA VAL A 40 4.831 -5.259 -3.766 1.00 0.00 C ATOM 557 C VAL A 40 3.654 -4.503 -4.364 1.00 0.00 C ATOM 558 O VAL A 40 3.288 -4.698 -5.523 1.00 0.00 O ATOM 559 CB VAL A 40 6.145 -4.619 -4.258 1.00 0.00 C ATOM 560 CG1 VAL A 40 6.144 -3.122 -3.967 1.00 0.00 C ATOM 561 CG2 VAL A 40 7.342 -5.293 -3.603 1.00 0.00 C ATOM 0 H VAL A 40 4.488 -6.933 -4.969 1.00 0.00 H new ATOM 0 HA VAL A 40 4.778 -5.171 -2.681 1.00 0.00 H new ATOM 0 HB VAL A 40 6.221 -4.761 -5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.077 -2.682 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.305 -2.652 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.049 -2.960 -2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.261 -4.830 -3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.276 -5.180 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.347 -6.353 -3.857 1.00 0.00 H new ATOM 571 N VAL A 41 3.089 -3.615 -3.552 1.00 0.00 N ATOM 572 CA VAL A 41 1.970 -2.782 -3.967 1.00 0.00 C ATOM 573 C VAL A 41 1.955 -1.476 -3.173 1.00 0.00 C ATOM 574 O VAL A 41 2.614 -1.365 -2.151 1.00 0.00 O ATOM 575 CB VAL A 41 0.602 -3.456 -3.746 1.00 0.00 C ATOM 576 CG1 VAL A 41 -0.406 -3.013 -4.797 1.00 0.00 C ATOM 577 CG2 VAL A 41 0.724 -4.945 -3.716 1.00 0.00 C ATOM 0 H VAL A 41 3.394 -3.454 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 41 2.115 -2.607 -5.033 1.00 0.00 H new ATOM 0 HB VAL A 41 0.234 -3.135 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.361 -3.505 -4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.538 -1.932 -4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.041 -3.284 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.260 -5.388 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.132 -5.296 -4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.389 -5.239 -2.904 1.00 0.00 H new ATOM 587 N GLY A 42 1.155 -0.520 -3.638 1.00 0.00 N ATOM 588 CA GLY A 42 1.025 0.739 -2.954 1.00 0.00 C ATOM 589 C GLY A 42 1.677 1.867 -3.703 1.00 0.00 C ATOM 590 O GLY A 42 2.324 1.656 -4.728 1.00 0.00 O ATOM 0 H GLY A 42 0.593 -0.604 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.032 0.964 -2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.471 0.659 -1.963 1.00 0.00 H new ATOM 594 N ASP A 43 1.506 3.069 -3.189 1.00 0.00 N ATOM 595 CA ASP A 43 2.076 4.246 -3.808 1.00 0.00 C ATOM 596 C ASP A 43 1.424 4.535 -5.154 1.00 0.00 C ATOM 597 O ASP A 43 1.494 3.724 -6.078 1.00 0.00 O ATOM 598 CB ASP A 43 3.590 4.093 -3.978 1.00 0.00 C ATOM 599 CG ASP A 43 4.369 4.909 -2.966 1.00 0.00 C ATOM 600 OD1 ASP A 43 4.406 4.508 -1.783 1.00 0.00 O ATOM 601 OD2 ASP A 43 4.943 5.948 -3.354 1.00 0.00 O ATOM 0 H ASP A 43 0.973 3.255 -2.339 1.00 0.00 H new ATOM 0 HA ASP A 43 1.881 5.090 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.860 3.042 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.873 4.401 -4.985 1.00 0.00 H new ATOM 606 N ARG A 44 0.793 5.700 -5.258 1.00 0.00 N ATOM 607 CA ARG A 44 0.131 6.107 -6.491 1.00 0.00 C ATOM 608 C ARG A 44 0.976 7.132 -7.241 1.00 0.00 C ATOM 609 O ARG A 44 0.655 8.322 -7.263 1.00 0.00 O ATOM 610 CB ARG A 44 -1.253 6.687 -6.187 1.00 0.00 C ATOM 611 CG ARG A 44 -1.218 7.900 -5.269 1.00 0.00 C ATOM 612 CD ARG A 44 -2.328 7.846 -4.229 1.00 0.00 C ATOM 613 NE ARG A 44 -2.355 6.567 -3.523 1.00 0.00 N ATOM 614 CZ ARG A 44 -1.566 6.270 -2.493 1.00 0.00 C ATOM 615 NH1 ARG A 44 -0.680 7.152 -2.049 1.00 0.00 N ATOM 616 NH2 ARG A 44 -1.660 5.083 -1.908 1.00 0.00 N ATOM 0 H ARG A 44 0.726 6.380 -4.501 1.00 0.00 H new ATOM 0 HA ARG A 44 0.012 5.226 -7.122 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.735 6.965 -7.124 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.869 5.913 -5.729 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.251 7.951 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.318 8.809 -5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.191 8.654 -3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.289 8.012 -4.716 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.018 5.859 -3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.600 8.065 -2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.079 6.917 -1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.336 4.399 -2.248 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.056 4.854 -1.119 1.00 0.00 H new ATOM 630 N VAL A 45 2.062 6.665 -7.847 1.00 0.00 N ATOM 631 CA VAL A 45 2.960 7.539 -8.592 1.00 0.00 C ATOM 632 C VAL A 45 2.375 7.909 -9.951 1.00 0.00 C ATOM 633 O VAL A 45 1.342 7.380 -10.359 1.00 0.00 O ATOM 634 CB VAL A 45 4.338 6.882 -8.798 1.00 0.00 C ATOM 635 CG1 VAL A 45 5.020 6.643 -7.460 1.00 0.00 C ATOM 636 CG2 VAL A 45 4.203 5.581 -9.575 1.00 0.00 C ATOM 0 H VAL A 45 2.342 5.684 -7.837 1.00 0.00 H new ATOM 0 HA VAL A 45 3.081 8.445 -7.998 1.00 0.00 H new ATOM 0 HB VAL A 45 4.959 7.562 -9.382 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.992 6.178 -7.625 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.155 7.594 -6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.402 5.985 -6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.188 5.134 -9.709 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.564 4.892 -9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.761 5.784 -10.550 1.00 0.00 H new ATOM 646 N ILE A 46 3.049 8.823 -10.644 1.00 0.00 N ATOM 647 CA ILE A 46 2.607 9.274 -11.961 1.00 0.00 C ATOM 648 C ILE A 46 3.523 10.373 -12.497 1.00 0.00 C ATOM 649 O ILE A 46 3.747 10.472 -13.703 1.00 0.00 O ATOM 650 CB ILE A 46 1.155 9.797 -11.924 1.00 0.00 C ATOM 651 CG1 ILE A 46 0.700 10.213 -13.325 1.00 0.00 C ATOM 652 CG2 ILE A 46 1.033 10.961 -10.952 1.00 0.00 C ATOM 653 CD1 ILE A 46 -0.744 9.866 -13.620 1.00 0.00 C ATOM 0 H ILE A 46 3.906 9.267 -10.314 1.00 0.00 H new ATOM 0 HA ILE A 46 2.651 8.410 -12.624 1.00 0.00 H new ATOM 0 HB ILE A 46 0.506 8.993 -11.578 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.837 11.288 -13.438 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.339 9.730 -14.064 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.003 11.317 -10.938 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.316 10.631 -9.952 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.692 11.769 -11.268 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.997 10.190 -14.630 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.883 8.788 -13.539 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.393 10.370 -12.904 1.00 0.00 H new ATOM 665 N ASP A 47 4.048 11.195 -11.591 1.00 0.00 N ATOM 666 CA ASP A 47 4.942 12.291 -11.961 1.00 0.00 C ATOM 667 C ASP A 47 4.161 13.466 -12.539 1.00 0.00 C ATOM 668 O ASP A 47 4.390 13.881 -13.676 1.00 0.00 O ATOM 669 CB ASP A 47 5.996 11.814 -12.966 1.00 0.00 C ATOM 670 CG ASP A 47 7.306 12.567 -12.832 1.00 0.00 C ATOM 671 OD1 ASP A 47 7.300 13.668 -12.242 1.00 0.00 O ATOM 672 OD2 ASP A 47 8.337 12.056 -13.317 1.00 0.00 O ATOM 0 H ASP A 47 3.869 11.122 -10.590 1.00 0.00 H new ATOM 0 HA ASP A 47 5.447 12.627 -11.055 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.176 10.749 -12.821 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.611 11.938 -13.978 1.00 0.00 H new ATOM 677 N VAL A 48 3.241 14.004 -11.746 1.00 0.00 N ATOM 678 CA VAL A 48 2.430 15.138 -12.173 1.00 0.00 C ATOM 679 C VAL A 48 2.990 16.443 -11.618 1.00 0.00 C ATOM 680 O VAL A 48 2.778 16.776 -10.452 1.00 0.00 O ATOM 681 CB VAL A 48 0.962 14.982 -11.723 1.00 0.00 C ATOM 682 CG1 VAL A 48 0.138 16.195 -12.136 1.00 0.00 C ATOM 683 CG2 VAL A 48 0.361 13.704 -12.294 1.00 0.00 C ATOM 0 H VAL A 48 3.038 13.673 -10.803 1.00 0.00 H new ATOM 0 HA VAL A 48 2.462 15.164 -13.262 1.00 0.00 H new ATOM 0 HB VAL A 48 0.944 14.914 -10.635 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.893 16.063 -11.808 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.553 17.091 -11.675 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.164 16.300 -13.221 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.674 13.611 -11.966 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.395 13.741 -13.383 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.932 12.845 -11.942 1.00 0.00 H new ATOM 693 N GLY A 49 3.711 17.177 -12.460 1.00 0.00 N ATOM 694 CA GLY A 49 4.294 18.436 -12.034 1.00 0.00 C ATOM 695 C GLY A 49 3.820 19.608 -12.870 1.00 0.00 C ATOM 696 O GLY A 49 4.463 19.978 -13.851 1.00 0.00 O ATOM 0 H GLY A 49 3.902 16.922 -13.429 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.042 18.614 -10.989 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.380 18.368 -12.093 1.00 0.00 H new ATOM 700 N SER A 50 2.693 20.194 -12.480 1.00 0.00 N ATOM 701 CA SER A 50 2.136 21.333 -13.201 1.00 0.00 C ATOM 702 C SER A 50 1.537 22.352 -12.236 1.00 0.00 C ATOM 703 O SER A 50 0.624 23.096 -12.595 1.00 0.00 O ATOM 704 CB SER A 50 1.070 20.864 -14.192 1.00 0.00 C ATOM 705 OG SER A 50 0.684 21.916 -15.061 1.00 0.00 O ATOM 0 H SER A 50 2.148 19.900 -11.670 1.00 0.00 H new ATOM 0 HA SER A 50 2.946 21.814 -13.749 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.455 20.028 -14.776 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.199 20.499 -13.648 1.00 0.00 H new ATOM 0 HG SER A 50 0.514 22.727 -14.538 1.00 0.00 H new ATOM 711 N GLU A 51 2.055 22.382 -11.012 1.00 0.00 N ATOM 712 CA GLU A 51 1.568 23.313 -9.999 1.00 0.00 C ATOM 713 C GLU A 51 2.721 24.049 -9.316 1.00 0.00 C ATOM 714 O GLU A 51 2.506 24.786 -8.354 1.00 0.00 O ATOM 715 CB GLU A 51 0.735 22.571 -8.952 1.00 0.00 C ATOM 716 CG GLU A 51 -0.233 21.560 -9.547 1.00 0.00 C ATOM 717 CD GLU A 51 -1.587 21.578 -8.863 1.00 0.00 C ATOM 718 OE1 GLU A 51 -1.681 21.083 -7.721 1.00 0.00 O ATOM 719 OE2 GLU A 51 -2.552 22.085 -9.472 1.00 0.00 O ATOM 0 H GLU A 51 2.811 21.773 -10.698 1.00 0.00 H new ATOM 0 HA GLU A 51 0.943 24.051 -10.502 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.406 22.057 -8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.173 23.298 -8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.363 21.769 -10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.197 20.561 -9.469 1.00 0.00 H new ATOM 726 N TRP A 52 3.941 23.849 -9.817 1.00 0.00 N ATOM 727 CA TRP A 52 5.126 24.495 -9.254 1.00 0.00 C ATOM 728 C TRP A 52 5.431 23.969 -7.853 1.00 0.00 C ATOM 729 O TRP A 52 6.482 23.370 -7.623 1.00 0.00 O ATOM 730 CB TRP A 52 4.946 26.016 -9.217 1.00 0.00 C ATOM 731 CG TRP A 52 4.767 26.629 -10.574 1.00 0.00 C ATOM 732 CD1 TRP A 52 4.892 26.004 -11.782 1.00 0.00 C ATOM 733 CD2 TRP A 52 4.431 27.992 -10.861 1.00 0.00 C ATOM 734 NE1 TRP A 52 4.654 26.893 -12.801 1.00 0.00 N ATOM 735 CE2 TRP A 52 4.369 28.120 -12.262 1.00 0.00 C ATOM 736 CE3 TRP A 52 4.175 29.115 -10.070 1.00 0.00 C ATOM 737 CZ2 TRP A 52 4.062 29.327 -12.886 1.00 0.00 C ATOM 738 CZ3 TRP A 52 3.871 30.312 -10.691 1.00 0.00 C ATOM 739 CH2 TRP A 52 3.817 30.409 -12.087 1.00 0.00 C ATOM 0 H TRP A 52 4.134 23.243 -10.614 1.00 0.00 H new ATOM 0 HA TRP A 52 5.971 24.255 -9.900 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.080 26.257 -8.601 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.814 26.465 -8.735 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.142 24.962 -11.916 1.00 0.00 H new ATOM 0 HE1 TRP A 52 4.684 26.675 -13.797 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.214 29.049 -8.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.019 29.405 -13.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.672 31.187 -10.090 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.577 31.359 -12.542 1.00 0.00 H new ATOM 750 N ARG A 53 4.509 24.199 -6.920 1.00 0.00 N ATOM 751 CA ARG A 53 4.678 23.750 -5.538 1.00 0.00 C ATOM 752 C ARG A 53 5.651 24.653 -4.789 1.00 0.00 C ATOM 753 O ARG A 53 6.868 24.503 -4.900 1.00 0.00 O ATOM 754 CB ARG A 53 5.171 22.301 -5.494 1.00 0.00 C ATOM 755 CG ARG A 53 4.629 21.509 -4.315 1.00 0.00 C ATOM 756 CD ARG A 53 5.221 21.992 -3.000 1.00 0.00 C ATOM 757 NE ARG A 53 4.944 21.068 -1.904 1.00 0.00 N ATOM 758 CZ ARG A 53 5.161 21.354 -0.622 1.00 0.00 C ATOM 759 NH1 ARG A 53 5.657 22.534 -0.272 1.00 0.00 N ATOM 760 NH2 ARG A 53 4.882 20.456 0.313 1.00 0.00 N ATOM 0 H ARG A 53 3.635 24.695 -7.096 1.00 0.00 H new ATOM 0 HA ARG A 53 3.705 23.804 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.885 21.801 -6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.260 22.298 -5.453 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.543 21.601 -4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.856 20.451 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.299 22.112 -3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.814 22.974 -2.758 1.00 0.00 H new ATOM 0 HE ARG A 53 4.562 20.150 -2.134 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.874 23.228 -0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.821 22.747 0.712 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.501 19.547 0.050 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.048 20.674 1.295 1.00 0.00 H new ATOM 774 N THR A 54 5.104 25.593 -4.024 1.00 0.00 N ATOM 775 CA THR A 54 5.920 26.524 -3.253 1.00 0.00 C ATOM 776 C THR A 54 5.125 27.102 -2.086 1.00 0.00 C ATOM 777 O THR A 54 3.921 26.868 -1.966 1.00 0.00 O ATOM 778 CB THR A 54 6.426 27.654 -4.150 1.00 0.00 C ATOM 779 OG1 THR A 54 6.649 27.185 -5.469 1.00 0.00 O ATOM 780 CG2 THR A 54 7.714 28.279 -3.660 1.00 0.00 C ATOM 0 H THR A 54 4.098 25.730 -3.922 1.00 0.00 H new ATOM 0 HA THR A 54 6.774 25.977 -2.854 1.00 0.00 H new ATOM 0 HB THR A 54 5.644 28.413 -4.127 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.971 27.922 -6.028 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.016 29.073 -4.343 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.561 28.695 -2.664 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.495 27.519 -3.619 1.00 0.00 H new ATOM 788 N PHE A 55 5.802 27.858 -1.229 1.00 0.00 N ATOM 789 CA PHE A 55 5.155 28.468 -0.073 1.00 0.00 C ATOM 790 C PHE A 55 4.883 29.949 -0.321 1.00 0.00 C ATOM 791 O PHE A 55 5.225 30.802 0.498 1.00 0.00 O ATOM 792 CB PHE A 55 6.018 28.291 1.180 1.00 0.00 C ATOM 793 CG PHE A 55 7.364 28.954 1.091 1.00 0.00 C ATOM 794 CD1 PHE A 55 8.408 28.347 0.413 1.00 0.00 C ATOM 795 CD2 PHE A 55 7.586 30.185 1.689 1.00 0.00 C ATOM 796 CE1 PHE A 55 9.647 28.954 0.331 1.00 0.00 C ATOM 797 CE2 PHE A 55 8.822 30.797 1.612 1.00 0.00 C ATOM 798 CZ PHE A 55 9.854 30.181 0.931 1.00 0.00 C ATOM 0 H PHE A 55 6.798 28.063 -1.313 1.00 0.00 H new ATOM 0 HA PHE A 55 4.201 27.965 0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.481 28.694 2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.160 27.226 1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.252 27.387 -0.057 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.782 30.672 2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.452 28.470 -0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 55 8.981 31.756 2.083 1.00 0.00 H new ATOM 0 HZ PHE A 55 10.821 30.658 0.868 1.00 0.00 H new ATOM 808 N SER A 56 4.263 30.247 -1.459 1.00 0.00 N ATOM 809 CA SER A 56 3.942 31.623 -1.820 1.00 0.00 C ATOM 810 C SER A 56 5.210 32.456 -1.972 1.00 0.00 C ATOM 811 O SER A 56 6.213 32.206 -1.305 1.00 0.00 O ATOM 812 CB SER A 56 3.027 32.252 -0.766 1.00 0.00 C ATOM 813 OG SER A 56 1.771 31.596 -0.725 1.00 0.00 O ATOM 0 H SER A 56 3.973 29.553 -2.147 1.00 0.00 H new ATOM 0 HA SER A 56 3.422 31.607 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.502 32.196 0.213 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.882 33.309 -0.990 1.00 0.00 H new ATOM 0 HG SER A 56 1.205 32.015 -0.043 1.00 0.00 H new ATOM 819 N ASN A 57 5.157 33.449 -2.854 1.00 0.00 N ATOM 820 CA ASN A 57 6.301 34.320 -3.094 1.00 0.00 C ATOM 821 C ASN A 57 6.423 35.374 -1.997 1.00 0.00 C ATOM 822 O ASN A 57 5.493 35.585 -1.219 1.00 0.00 O ATOM 823 CB ASN A 57 6.174 34.998 -4.461 1.00 0.00 C ATOM 824 CG ASN A 57 7.330 34.662 -5.384 1.00 0.00 C ATOM 825 OD1 ASN A 57 7.818 33.532 -5.401 1.00 0.00 O ATOM 826 ND2 ASN A 57 7.775 35.646 -6.156 1.00 0.00 N ATOM 0 H ASN A 57 4.334 33.670 -3.414 1.00 0.00 H new ATOM 0 HA ASN A 57 7.202 33.707 -3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.238 34.692 -4.929 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.124 36.078 -4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.552 35.481 -6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.340 36.568 -6.109 1.00 0.00 H new ATOM 833 N ASP A 58 7.576 36.031 -1.942 1.00 0.00 N ATOM 834 CA ASP A 58 7.821 37.063 -0.941 1.00 0.00 C ATOM 835 C ASP A 58 7.654 38.455 -1.543 1.00 0.00 C ATOM 836 O ASP A 58 7.180 39.377 -0.880 1.00 0.00 O ATOM 837 CB ASP A 58 9.226 36.910 -0.354 1.00 0.00 C ATOM 838 CG ASP A 58 9.218 36.876 1.162 1.00 0.00 C ATOM 839 OD1 ASP A 58 9.082 35.772 1.730 1.00 0.00 O ATOM 840 OD2 ASP A 58 9.347 37.954 1.781 1.00 0.00 O ATOM 0 H ASP A 58 8.356 35.867 -2.579 1.00 0.00 H new ATOM 0 HA ASP A 58 7.088 36.943 -0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.677 35.993 -0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.851 37.737 -0.693 1.00 0.00 H new ATOM 845 N LYS A 59 8.048 38.600 -2.805 1.00 0.00 N ATOM 846 CA LYS A 59 7.941 39.878 -3.497 1.00 0.00 C ATOM 847 C LYS A 59 6.652 39.951 -4.309 1.00 0.00 C ATOM 848 O LYS A 59 6.075 38.925 -4.672 1.00 0.00 O ATOM 849 CB LYS A 59 9.150 40.087 -4.413 1.00 0.00 C ATOM 850 CG LYS A 59 10.196 41.028 -3.833 1.00 0.00 C ATOM 851 CD LYS A 59 11.584 40.406 -3.860 1.00 0.00 C ATOM 852 CE LYS A 59 11.676 39.203 -2.934 1.00 0.00 C ATOM 853 NZ LYS A 59 11.816 37.929 -3.693 1.00 0.00 N ATOM 0 H LYS A 59 8.444 37.847 -3.368 1.00 0.00 H new ATOM 0 HA LYS A 59 7.921 40.669 -2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.614 39.122 -4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.807 40.483 -5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.203 41.959 -4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.930 41.281 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.827 40.102 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.323 41.151 -3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.529 39.323 -2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.785 39.157 -2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.345 37.240 -3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.873 37.548 -3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.328 38.108 -4.580 1.00 0.00 H new TER 867 LYS A 59 HETATM 868 ZN ZN A 61 1.050 -13.273 -0.683 1.00 0.00 ZN