USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 397 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 Set 1.1: A 62 SER OG : rot -131:sc= 1.32 USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 170:sc= -0.0737 (180deg=-0.208) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.041) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= -0.0273 (180deg=-0.29) USER MOD Single : A 11 THR OG1 : rot -146:sc= 0.803 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 65:sc= 0.856 USER MOD Single : A 20 GLN : amide:sc= 0.301 K(o=0.3,f=-0.57) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0314 K(o=-0.031,f=-1.2) USER MOD Single : A 32 THR OG1 : rot -40:sc= 0.587 USER MOD Single : A 37 LYS NZ :NH3+ 146:sc= 1.13 (180deg=0.362) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 40 ASN : amide:sc= 0.672 K(o=0.67,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 56:sc= 0.954 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= 2.72 (180deg=2.03) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.125 3.637 -9.960 1.00 0.00 N ATOM 2 CA GLY A 1 -0.784 2.502 -9.635 1.00 0.00 C ATOM 3 C GLY A 1 -0.849 1.475 -10.752 1.00 0.00 C ATOM 4 O GLY A 1 -1.817 0.709 -10.854 1.00 0.00 O ATOM 0 H1 GLY A 1 0.009 4.389 -9.251 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.111 3.305 -9.954 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.109 4.010 -10.902 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.444 2.018 -8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.785 2.886 -9.439 1.00 0.00 H new ATOM 7 N SER A 2 0.175 1.460 -11.592 1.00 0.00 N ATOM 8 CA SER A 2 0.237 0.526 -12.704 1.00 0.00 C ATOM 9 C SER A 2 1.688 0.278 -13.133 1.00 0.00 C ATOM 10 O SER A 2 1.952 -0.207 -14.239 1.00 0.00 O ATOM 11 CB SER A 2 -0.586 1.066 -13.880 1.00 0.00 C ATOM 12 OG SER A 2 -0.239 2.417 -14.178 1.00 0.00 O ATOM 0 H SER A 2 0.977 2.087 -11.523 1.00 0.00 H new ATOM 0 HA SER A 2 -0.183 -0.427 -12.382 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.420 0.443 -14.759 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.648 1.005 -13.642 1.00 0.00 H new ATOM 0 HG SER A 2 -0.778 2.734 -14.933 1.00 0.00 H new ATOM 18 N GLY A 3 2.618 0.583 -12.246 1.00 0.00 N ATOM 19 CA GLY A 3 4.016 0.439 -12.570 1.00 0.00 C ATOM 20 C GLY A 3 4.726 -0.565 -11.692 1.00 0.00 C ATOM 21 O GLY A 3 5.197 -0.228 -10.605 1.00 0.00 O ATOM 0 H GLY A 3 2.428 0.929 -11.305 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.112 0.134 -13.612 1.00 0.00 H new ATOM 0 HA3 GLY A 3 4.507 1.408 -12.475 1.00 0.00 H new ATOM 25 N LYS A 4 4.796 -1.795 -12.156 1.00 0.00 N ATOM 26 CA LYS A 4 5.505 -2.847 -11.449 1.00 0.00 C ATOM 27 C LYS A 4 6.658 -3.339 -12.311 1.00 0.00 C ATOM 28 O LYS A 4 6.741 -4.524 -12.653 1.00 0.00 O ATOM 29 CB LYS A 4 4.571 -4.015 -11.102 1.00 0.00 C ATOM 30 CG LYS A 4 3.476 -3.680 -10.102 1.00 0.00 C ATOM 31 CD LYS A 4 2.709 -4.934 -9.699 1.00 0.00 C ATOM 32 CE LYS A 4 1.587 -4.626 -8.721 1.00 0.00 C ATOM 33 NZ LYS A 4 0.491 -3.857 -9.355 1.00 0.00 N ATOM 0 H LYS A 4 4.366 -2.096 -13.030 1.00 0.00 H new ATOM 0 HA LYS A 4 5.888 -2.440 -10.513 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.107 -4.376 -12.020 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.169 -4.834 -10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.914 -3.216 -9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.790 -2.953 -10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.294 -5.407 -10.589 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.396 -5.650 -9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.190 -5.559 -8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.986 -4.061 -7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.303 -3.771 -8.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.834 -2.909 -9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.172 -4.351 -10.213 1.00 0.00 H new ATOM 47 N GLY A 5 7.533 -2.418 -12.677 1.00 0.00 N ATOM 48 CA GLY A 5 8.645 -2.749 -13.533 1.00 0.00 C ATOM 49 C GLY A 5 9.798 -3.370 -12.790 1.00 0.00 C ATOM 50 O GLY A 5 10.815 -2.716 -12.539 1.00 0.00 O ATOM 0 H GLY A 5 7.490 -1.439 -12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.307 -3.437 -14.308 1.00 0.00 H new ATOM 0 HA3 GLY A 5 8.989 -1.846 -14.037 1.00 0.00 H new ATOM 54 N LYS A 6 9.640 -4.622 -12.432 1.00 0.00 N ATOM 55 CA LYS A 6 10.677 -5.358 -11.754 1.00 0.00 C ATOM 56 C LYS A 6 10.740 -6.765 -12.312 1.00 0.00 C ATOM 57 O LYS A 6 9.715 -7.430 -12.451 1.00 0.00 O ATOM 58 CB LYS A 6 10.407 -5.418 -10.252 1.00 0.00 C ATOM 59 CG LYS A 6 11.572 -5.977 -9.452 1.00 0.00 C ATOM 60 CD LYS A 6 11.164 -6.342 -8.038 1.00 0.00 C ATOM 61 CE LYS A 6 10.345 -7.623 -8.016 1.00 0.00 C ATOM 62 NZ LYS A 6 9.867 -7.942 -6.650 1.00 0.00 N ATOM 0 H LYS A 6 8.789 -5.158 -12.603 1.00 0.00 H new ATOM 0 HA LYS A 6 11.628 -4.849 -11.915 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.176 -4.416 -9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.525 -6.033 -10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.967 -6.860 -9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.376 -5.242 -9.419 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.054 -6.465 -7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.584 -5.529 -7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.491 -7.521 -8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.949 -8.448 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.312 -8.821 -6.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.683 -8.063 -6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.270 -7.165 -6.301 1.00 0.00 H new ATOM 76 N GLY A 7 11.931 -7.213 -12.642 1.00 0.00 N ATOM 77 CA GLY A 7 12.088 -8.549 -13.168 1.00 0.00 C ATOM 78 C GLY A 7 11.983 -8.592 -14.671 1.00 0.00 C ATOM 79 O GLY A 7 11.733 -9.645 -15.250 1.00 0.00 O ATOM 0 H GLY A 7 12.795 -6.678 -12.557 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.057 -8.945 -12.863 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.327 -9.199 -12.735 1.00 0.00 H new ATOM 83 N GLU A 8 12.175 -7.450 -15.308 1.00 0.00 N ATOM 84 CA GLU A 8 12.117 -7.379 -16.761 1.00 0.00 C ATOM 85 C GLU A 8 13.479 -7.678 -17.360 1.00 0.00 C ATOM 86 O GLU A 8 13.584 -8.165 -18.483 1.00 0.00 O ATOM 87 CB GLU A 8 11.653 -6.000 -17.218 1.00 0.00 C ATOM 88 CG GLU A 8 10.271 -5.618 -16.735 1.00 0.00 C ATOM 89 CD GLU A 8 9.782 -4.345 -17.375 1.00 0.00 C ATOM 90 OE1 GLU A 8 9.242 -4.414 -18.498 1.00 0.00 O ATOM 91 OE2 GLU A 8 9.931 -3.263 -16.766 1.00 0.00 O ATOM 0 H GLU A 8 12.372 -6.562 -14.846 1.00 0.00 H new ATOM 0 HA GLU A 8 11.400 -8.125 -17.105 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.367 -5.254 -16.868 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.667 -5.967 -18.307 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.574 -6.426 -16.956 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.286 -5.497 -15.652 1.00 0.00 H new ATOM 98 N LYS A 9 14.514 -7.383 -16.598 1.00 0.00 N ATOM 99 CA LYS A 9 15.887 -7.580 -17.038 1.00 0.00 C ATOM 100 C LYS A 9 16.724 -8.097 -15.899 1.00 0.00 C ATOM 101 O LYS A 9 17.918 -7.838 -15.826 1.00 0.00 O ATOM 102 CB LYS A 9 16.470 -6.264 -17.509 1.00 0.00 C ATOM 103 CG LYS A 9 15.876 -5.739 -18.804 1.00 0.00 C ATOM 104 CD LYS A 9 16.497 -4.412 -19.195 1.00 0.00 C ATOM 105 CE LYS A 9 16.010 -3.944 -20.556 1.00 0.00 C ATOM 106 NZ LYS A 9 16.442 -4.858 -21.641 1.00 0.00 N ATOM 0 H LYS A 9 14.430 -7.000 -15.656 1.00 0.00 H new ATOM 0 HA LYS A 9 15.890 -8.302 -17.855 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.325 -5.517 -16.729 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.545 -6.384 -17.640 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.034 -6.466 -19.601 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.798 -5.620 -18.691 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.254 -3.661 -18.443 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.583 -4.508 -19.210 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.922 -3.877 -20.549 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.390 -2.941 -20.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.334 -4.382 -22.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.439 -5.117 -21.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.856 -5.717 -21.625 1.00 0.00 H new ATOM 120 N CYS A 10 16.105 -8.824 -15.024 1.00 0.00 N ATOM 121 CA CYS A 10 16.782 -9.325 -13.860 1.00 0.00 C ATOM 122 C CYS A 10 17.422 -10.668 -14.122 1.00 0.00 C ATOM 123 O CYS A 10 17.311 -11.231 -15.218 1.00 0.00 O ATOM 124 CB CYS A 10 15.821 -9.413 -12.691 1.00 0.00 C ATOM 125 SG CYS A 10 15.093 -7.829 -12.257 1.00 0.00 S ATOM 0 H CYS A 10 15.122 -9.088 -15.091 1.00 0.00 H new ATOM 0 HA CYS A 10 17.579 -8.625 -13.611 1.00 0.00 H new ATOM 0 HB2 CYS A 10 15.026 -10.117 -12.934 1.00 0.00 H new ATOM 0 HB3 CYS A 10 16.348 -9.814 -11.825 1.00 0.00 H new ATOM 130 N THR A 11 18.105 -11.159 -13.128 1.00 0.00 N ATOM 131 CA THR A 11 18.782 -12.423 -13.208 1.00 0.00 C ATOM 132 C THR A 11 18.066 -13.452 -12.354 1.00 0.00 C ATOM 133 O THR A 11 17.157 -13.111 -11.591 1.00 0.00 O ATOM 134 CB THR A 11 20.207 -12.276 -12.689 1.00 0.00 C ATOM 135 OG1 THR A 11 20.173 -12.017 -11.277 1.00 0.00 O ATOM 136 CG2 THR A 11 20.883 -11.128 -13.390 1.00 0.00 C ATOM 0 H THR A 11 18.209 -10.688 -12.229 1.00 0.00 H new ATOM 0 HA THR A 11 18.791 -12.747 -14.249 1.00 0.00 H new ATOM 0 HB THR A 11 20.761 -13.195 -12.881 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.913 -11.422 -11.036 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.902 -11.024 -13.018 1.00 0.00 H new ATOM 0 HG22 THR A 11 20.906 -11.320 -14.463 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.331 -10.208 -13.198 1.00 0.00 H new ATOM 144 N SER A 12 18.476 -14.699 -12.461 1.00 0.00 N ATOM 145 CA SER A 12 17.911 -15.748 -11.641 1.00 0.00 C ATOM 146 C SER A 12 18.375 -15.570 -10.199 1.00 0.00 C ATOM 147 O SER A 12 17.687 -15.958 -9.256 1.00 0.00 O ATOM 148 CB SER A 12 18.333 -17.110 -12.173 1.00 0.00 C ATOM 149 OG SER A 12 18.017 -17.230 -13.551 1.00 0.00 O ATOM 0 H SER A 12 19.200 -15.010 -13.109 1.00 0.00 H new ATOM 0 HA SER A 12 16.823 -15.689 -11.673 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.405 -17.247 -12.027 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.832 -17.897 -11.610 1.00 0.00 H new ATOM 0 HG SER A 12 18.297 -18.111 -13.875 1.00 0.00 H new ATOM 155 N ALA A 13 19.540 -14.948 -10.045 1.00 0.00 N ATOM 156 CA ALA A 13 20.107 -14.680 -8.738 1.00 0.00 C ATOM 157 C ALA A 13 19.273 -13.642 -8.001 1.00 0.00 C ATOM 158 O ALA A 13 19.061 -13.742 -6.794 1.00 0.00 O ATOM 159 CB ALA A 13 21.547 -14.212 -8.878 1.00 0.00 C ATOM 0 H ALA A 13 20.112 -14.619 -10.823 1.00 0.00 H new ATOM 0 HA ALA A 13 20.098 -15.601 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.963 -14.014 -7.890 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.135 -14.987 -9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.577 -13.300 -9.474 1.00 0.00 H new ATOM 165 N CYS A 14 18.792 -12.652 -8.739 1.00 0.00 N ATOM 166 CA CYS A 14 17.950 -11.609 -8.170 1.00 0.00 C ATOM 167 C CYS A 14 16.569 -12.165 -7.845 1.00 0.00 C ATOM 168 O CYS A 14 15.940 -11.766 -6.865 1.00 0.00 O ATOM 169 CB CYS A 14 17.832 -10.431 -9.137 1.00 0.00 C ATOM 170 SG CYS A 14 16.836 -9.056 -8.516 1.00 0.00 S ATOM 0 H CYS A 14 18.971 -12.549 -9.738 1.00 0.00 H new ATOM 0 HA CYS A 14 18.411 -11.256 -7.248 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.832 -10.064 -9.369 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.398 -10.786 -10.072 1.00 0.00 H new ATOM 175 N ARG A 15 16.101 -13.097 -8.676 1.00 0.00 N ATOM 176 CA ARG A 15 14.807 -13.736 -8.460 1.00 0.00 C ATOM 177 C ARG A 15 14.837 -14.574 -7.183 1.00 0.00 C ATOM 178 O ARG A 15 13.810 -14.766 -6.527 1.00 0.00 O ATOM 179 CB ARG A 15 14.443 -14.629 -9.644 1.00 0.00 C ATOM 180 CG ARG A 15 14.258 -13.889 -10.958 1.00 0.00 C ATOM 181 CD ARG A 15 13.903 -14.855 -12.075 1.00 0.00 C ATOM 182 NE ARG A 15 12.702 -15.623 -11.759 1.00 0.00 N ATOM 183 CZ ARG A 15 12.444 -16.855 -12.198 1.00 0.00 C ATOM 184 NH1 ARG A 15 13.286 -17.468 -13.020 1.00 0.00 N ATOM 185 NH2 ARG A 15 11.332 -17.469 -11.819 1.00 0.00 N ATOM 0 H ARG A 15 16.600 -13.424 -9.503 1.00 0.00 H new ATOM 0 HA ARG A 15 14.055 -12.953 -8.362 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.224 -15.379 -9.771 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.522 -15.164 -9.410 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.471 -13.143 -10.853 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.173 -13.354 -11.211 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.748 -14.301 -13.001 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.737 -15.536 -12.247 1.00 0.00 H new ATOM 0 HE ARG A 15 12.007 -15.183 -11.156 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.139 -16.997 -13.321 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.080 -18.411 -13.351 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.678 -16.999 -11.194 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.131 -18.412 -12.153 1.00 0.00 H new ATOM 199 N SER A 16 16.019 -15.079 -6.842 1.00 0.00 N ATOM 200 CA SER A 16 16.196 -15.867 -5.636 1.00 0.00 C ATOM 201 C SER A 16 16.009 -14.987 -4.400 1.00 0.00 C ATOM 202 O SER A 16 16.241 -13.777 -4.452 1.00 0.00 O ATOM 203 CB SER A 16 17.585 -16.511 -5.625 1.00 0.00 C ATOM 204 OG SER A 16 17.768 -17.356 -6.756 1.00 0.00 O ATOM 0 H SER A 16 16.870 -14.953 -7.390 1.00 0.00 H new ATOM 0 HA SER A 16 15.445 -16.657 -5.619 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.349 -15.734 -5.621 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.714 -17.090 -4.710 1.00 0.00 H new ATOM 0 HG SER A 16 17.744 -16.817 -7.574 1.00 0.00 H new ATOM 210 N GLU A 17 15.583 -15.583 -3.304 1.00 0.00 N ATOM 211 CA GLU A 17 15.361 -14.838 -2.078 1.00 0.00 C ATOM 212 C GLU A 17 16.127 -15.464 -0.907 1.00 0.00 C ATOM 213 O GLU A 17 15.920 -16.635 -0.570 1.00 0.00 O ATOM 214 CB GLU A 17 13.860 -14.737 -1.771 1.00 0.00 C ATOM 215 CG GLU A 17 13.145 -16.073 -1.717 1.00 0.00 C ATOM 216 CD GLU A 17 11.657 -15.930 -1.515 1.00 0.00 C ATOM 217 OE1 GLU A 17 10.927 -15.826 -2.522 1.00 0.00 O ATOM 218 OE2 GLU A 17 11.203 -15.935 -0.350 1.00 0.00 O ATOM 0 H GLU A 17 15.383 -16.581 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 17 15.745 -13.828 -2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.729 -14.229 -0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.386 -14.115 -2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.331 -16.618 -2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.562 -16.671 -0.906 1.00 0.00 H new ATOM 225 N PRO A 18 17.039 -14.700 -0.283 1.00 0.00 N ATOM 226 CA PRO A 18 17.327 -13.310 -0.663 1.00 0.00 C ATOM 227 C PRO A 18 18.123 -13.222 -1.962 1.00 0.00 C ATOM 228 O PRO A 18 18.534 -14.247 -2.519 1.00 0.00 O ATOM 229 CB PRO A 18 18.170 -12.773 0.508 1.00 0.00 C ATOM 230 CG PRO A 18 18.134 -13.842 1.557 1.00 0.00 C ATOM 231 CD PRO A 18 17.861 -15.128 0.840 1.00 0.00 C ATOM 0 HA PRO A 18 16.412 -12.745 -0.839 1.00 0.00 H new ATOM 0 HB2 PRO A 18 19.193 -12.568 0.192 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.761 -11.837 0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.081 -13.891 2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 18 17.358 -13.636 2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.781 -15.610 0.508 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.338 -15.843 1.475 1.00 0.00 H new ATOM 239 N CYS A 19 18.330 -12.001 -2.436 1.00 0.00 N ATOM 240 CA CYS A 19 19.061 -11.750 -3.673 1.00 0.00 C ATOM 241 C CYS A 19 20.450 -12.384 -3.629 1.00 0.00 C ATOM 242 O CYS A 19 21.153 -12.298 -2.620 1.00 0.00 O ATOM 243 CB CYS A 19 19.188 -10.247 -3.908 1.00 0.00 C ATOM 244 SG CYS A 19 19.849 -9.804 -5.529 1.00 0.00 S ATOM 0 H CYS A 19 17.996 -11.155 -1.974 1.00 0.00 H new ATOM 0 HA CYS A 19 18.503 -12.201 -4.494 1.00 0.00 H new ATOM 0 HB2 CYS A 19 18.206 -9.788 -3.791 1.00 0.00 H new ATOM 0 HB3 CYS A 19 19.832 -9.823 -3.137 1.00 0.00 H new ATOM 249 N GLN A 20 20.833 -13.021 -4.720 1.00 0.00 N ATOM 250 CA GLN A 20 22.123 -13.691 -4.809 1.00 0.00 C ATOM 251 C GLN A 20 23.033 -12.977 -5.798 1.00 0.00 C ATOM 252 O GLN A 20 24.043 -13.522 -6.247 1.00 0.00 O ATOM 253 CB GLN A 20 21.919 -15.149 -5.226 1.00 0.00 C ATOM 254 CG GLN A 20 21.005 -15.910 -4.287 1.00 0.00 C ATOM 255 CD GLN A 20 21.574 -16.013 -2.891 1.00 0.00 C ATOM 256 OE1 GLN A 20 22.785 -16.109 -2.705 1.00 0.00 O ATOM 257 NE2 GLN A 20 20.709 -15.956 -1.900 1.00 0.00 N ATOM 0 H GLN A 20 20.266 -13.090 -5.565 1.00 0.00 H new ATOM 0 HA GLN A 20 22.602 -13.664 -3.830 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.503 -15.178 -6.233 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.887 -15.649 -5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.035 -15.414 -4.246 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.834 -16.911 -4.682 1.00 0.00 H new ATOM 0 HE21 GLN A 20 19.712 -15.876 -2.098 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.036 -15.991 -0.935 1.00 0.00 H new ATOM 266 N CYS A 21 22.687 -11.743 -6.111 1.00 0.00 N ATOM 267 CA CYS A 21 23.446 -10.940 -7.058 1.00 0.00 C ATOM 268 C CYS A 21 24.668 -10.284 -6.415 1.00 0.00 C ATOM 269 O CYS A 21 25.108 -9.208 -6.841 1.00 0.00 O ATOM 270 CB CYS A 21 22.549 -9.886 -7.663 1.00 0.00 C ATOM 271 SG CYS A 21 21.283 -10.550 -8.747 1.00 0.00 S ATOM 0 H CYS A 21 21.874 -11.267 -5.719 1.00 0.00 H new ATOM 0 HA CYS A 21 23.813 -11.608 -7.837 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.070 -9.325 -6.860 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.161 -9.180 -8.224 1.00 0.00 H new ATOM 276 N GLY A 22 25.218 -10.929 -5.404 1.00 0.00 N ATOM 277 CA GLY A 22 26.423 -10.428 -4.778 1.00 0.00 C ATOM 278 C GLY A 22 27.573 -10.404 -5.763 1.00 0.00 C ATOM 279 O GLY A 22 28.298 -9.419 -5.862 1.00 0.00 O ATOM 0 H GLY A 22 24.853 -11.793 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.247 -9.423 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.682 -11.055 -3.925 1.00 0.00 H new ATOM 283 N SER A 23 27.721 -11.495 -6.502 1.00 0.00 N ATOM 284 CA SER A 23 28.755 -11.605 -7.519 1.00 0.00 C ATOM 285 C SER A 23 28.153 -12.122 -8.827 1.00 0.00 C ATOM 286 O SER A 23 28.861 -12.363 -9.796 1.00 0.00 O ATOM 287 CB SER A 23 29.847 -12.564 -7.047 1.00 0.00 C ATOM 288 OG SER A 23 30.132 -12.367 -5.668 1.00 0.00 O ATOM 0 H SER A 23 27.132 -12.323 -6.414 1.00 0.00 H new ATOM 0 HA SER A 23 29.187 -10.619 -7.689 1.00 0.00 H new ATOM 0 HB2 SER A 23 29.530 -13.593 -7.214 1.00 0.00 H new ATOM 0 HB3 SER A 23 30.752 -12.410 -7.635 1.00 0.00 H new ATOM 0 HG SER A 23 30.832 -12.992 -5.386 1.00 0.00 H new ATOM 294 N LYS A 24 26.835 -12.287 -8.839 1.00 0.00 N ATOM 295 CA LYS A 24 26.135 -12.825 -10.005 1.00 0.00 C ATOM 296 C LYS A 24 25.140 -11.819 -10.563 1.00 0.00 C ATOM 297 O LYS A 24 24.113 -12.200 -11.125 1.00 0.00 O ATOM 298 CB LYS A 24 25.393 -14.108 -9.625 1.00 0.00 C ATOM 299 CG LYS A 24 26.293 -15.262 -9.229 1.00 0.00 C ATOM 300 CD LYS A 24 25.471 -16.470 -8.821 1.00 0.00 C ATOM 301 CE LYS A 24 26.349 -17.671 -8.532 1.00 0.00 C ATOM 302 NZ LYS A 24 25.551 -18.843 -8.107 1.00 0.00 N ATOM 0 H LYS A 24 26.227 -12.056 -8.054 1.00 0.00 H new ATOM 0 HA LYS A 24 26.880 -13.040 -10.771 1.00 0.00 H new ATOM 0 HB2 LYS A 24 24.718 -13.890 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 24 24.775 -14.418 -10.468 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.944 -15.524 -10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 24 26.938 -14.960 -8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 24 24.882 -16.228 -7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 24 24.766 -16.716 -9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 24 26.923 -17.925 -9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.067 -17.418 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 26.186 -19.645 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 25.023 -18.608 -7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 24.883 -19.100 -8.862 1.00 0.00 H new ATOM 316 N CYS A 25 25.441 -10.544 -10.429 1.00 0.00 N ATOM 317 CA CYS A 25 24.532 -9.531 -10.908 1.00 0.00 C ATOM 318 C CYS A 25 24.715 -9.289 -12.392 1.00 0.00 C ATOM 319 O CYS A 25 25.824 -9.035 -12.869 1.00 0.00 O ATOM 320 CB CYS A 25 24.683 -8.233 -10.148 1.00 0.00 C ATOM 321 SG CYS A 25 23.336 -7.080 -10.467 1.00 0.00 S ATOM 0 H CYS A 25 26.296 -10.191 -9.999 1.00 0.00 H new ATOM 0 HA CYS A 25 23.523 -9.906 -10.736 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.729 -8.445 -9.080 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.629 -7.765 -10.421 1.00 0.00 H new ATOM 326 N GLN A 26 23.618 -9.369 -13.111 1.00 0.00 N ATOM 327 CA GLN A 26 23.600 -9.195 -14.554 1.00 0.00 C ATOM 328 C GLN A 26 22.328 -8.453 -14.946 1.00 0.00 C ATOM 329 O GLN A 26 21.902 -8.486 -16.099 1.00 0.00 O ATOM 330 CB GLN A 26 23.623 -10.575 -15.230 1.00 0.00 C ATOM 331 CG GLN A 26 24.816 -11.434 -14.845 1.00 0.00 C ATOM 332 CD GLN A 26 24.674 -12.867 -15.298 1.00 0.00 C ATOM 333 OE1 GLN A 26 23.562 -13.383 -15.439 1.00 0.00 O ATOM 334 NE2 GLN A 26 25.790 -13.525 -15.512 1.00 0.00 N ATOM 0 H GLN A 26 22.700 -9.559 -12.709 1.00 0.00 H new ATOM 0 HA GLN A 26 24.471 -8.622 -14.873 1.00 0.00 H new ATOM 0 HB2 GLN A 26 22.707 -11.108 -14.975 1.00 0.00 H new ATOM 0 HB3 GLN A 26 23.621 -10.438 -16.311 1.00 0.00 H new ATOM 0 HG2 GLN A 26 25.720 -11.008 -15.280 1.00 0.00 H new ATOM 0 HG3 GLN A 26 24.941 -11.410 -13.762 1.00 0.00 H new ATOM 0 HE21 GLN A 26 26.689 -13.060 -15.384 1.00 0.00 H new ATOM 0 HE22 GLN A 26 25.758 -14.501 -15.807 1.00 0.00 H new ATOM 343 N CYS A 27 21.725 -7.791 -13.966 1.00 0.00 N ATOM 344 CA CYS A 27 20.466 -7.089 -14.164 1.00 0.00 C ATOM 345 C CYS A 27 20.609 -5.897 -15.082 1.00 0.00 C ATOM 346 O CYS A 27 21.639 -5.226 -15.103 1.00 0.00 O ATOM 347 CB CYS A 27 19.881 -6.641 -12.831 1.00 0.00 C ATOM 348 SG CYS A 27 19.350 -7.994 -11.778 1.00 0.00 S ATOM 0 H CYS A 27 22.094 -7.727 -13.017 1.00 0.00 H new ATOM 0 HA CYS A 27 19.787 -7.797 -14.640 1.00 0.00 H new ATOM 0 HB2 CYS A 27 20.626 -6.050 -12.299 1.00 0.00 H new ATOM 0 HB3 CYS A 27 19.031 -5.986 -13.020 1.00 0.00 H new ATOM 353 N GLY A 28 19.571 -5.656 -15.846 1.00 0.00 N ATOM 354 CA GLY A 28 19.544 -4.518 -16.725 1.00 0.00 C ATOM 355 C GLY A 28 18.815 -3.352 -16.093 1.00 0.00 C ATOM 356 O GLY A 28 18.720 -3.265 -14.871 1.00 0.00 O ATOM 0 H GLY A 28 18.733 -6.236 -15.875 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.564 -4.222 -16.971 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.056 -4.790 -17.661 1.00 0.00 H new ATOM 360 N GLU A 29 18.271 -2.472 -16.916 1.00 0.00 N ATOM 361 CA GLU A 29 17.528 -1.310 -16.421 1.00 0.00 C ATOM 362 C GLU A 29 16.107 -1.703 -15.979 1.00 0.00 C ATOM 363 O GLU A 29 15.249 -0.849 -15.772 1.00 0.00 O ATOM 364 CB GLU A 29 17.463 -0.222 -17.498 1.00 0.00 C ATOM 365 CG GLU A 29 16.770 -0.662 -18.776 1.00 0.00 C ATOM 366 CD GLU A 29 16.694 0.439 -19.806 1.00 0.00 C ATOM 367 OE1 GLU A 29 17.590 0.512 -20.673 1.00 0.00 O ATOM 368 OE2 GLU A 29 15.730 1.230 -19.767 1.00 0.00 O ATOM 0 H GLU A 29 18.326 -2.534 -17.933 1.00 0.00 H new ATOM 0 HA GLU A 29 18.057 -0.920 -15.552 1.00 0.00 H new ATOM 0 HB2 GLU A 29 16.941 0.645 -17.093 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.477 0.099 -17.738 1.00 0.00 H new ATOM 0 HG2 GLU A 29 17.303 -1.513 -19.199 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.762 -1.003 -18.539 1.00 0.00 H new ATOM 375 N GLY A 30 15.879 -2.998 -15.825 1.00 0.00 N ATOM 376 CA GLY A 30 14.581 -3.484 -15.415 1.00 0.00 C ATOM 377 C GLY A 30 14.607 -4.043 -14.011 1.00 0.00 C ATOM 378 O GLY A 30 13.910 -5.019 -13.710 1.00 0.00 O ATOM 0 H GLY A 30 16.577 -3.726 -15.978 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.856 -2.672 -15.469 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.247 -4.257 -16.107 1.00 0.00 H new ATOM 382 N CYS A 31 15.422 -3.434 -13.162 1.00 0.00 N ATOM 383 CA CYS A 31 15.550 -3.849 -11.775 1.00 0.00 C ATOM 384 C CYS A 31 15.432 -2.648 -10.851 1.00 0.00 C ATOM 385 O CYS A 31 15.809 -1.525 -11.212 1.00 0.00 O ATOM 386 CB CYS A 31 16.894 -4.559 -11.537 1.00 0.00 C ATOM 387 SG CYS A 31 17.204 -5.025 -9.804 1.00 0.00 S ATOM 0 H CYS A 31 16.011 -2.641 -13.415 1.00 0.00 H new ATOM 0 HA CYS A 31 14.743 -4.549 -11.557 1.00 0.00 H new ATOM 0 HB2 CYS A 31 16.931 -5.457 -12.154 1.00 0.00 H new ATOM 0 HB3 CYS A 31 17.700 -3.907 -11.875 1.00 0.00 H new ATOM 392 N THR A 32 14.903 -2.884 -9.671 1.00 0.00 N ATOM 393 CA THR A 32 14.760 -1.849 -8.675 1.00 0.00 C ATOM 394 C THR A 32 15.176 -2.398 -7.311 1.00 0.00 C ATOM 395 O THR A 32 14.877 -1.816 -6.267 1.00 0.00 O ATOM 396 CB THR A 32 13.299 -1.313 -8.618 1.00 0.00 C ATOM 397 OG1 THR A 32 13.218 -0.173 -7.743 1.00 0.00 O ATOM 398 CG2 THR A 32 12.333 -2.393 -8.140 1.00 0.00 C ATOM 0 H THR A 32 14.561 -3.798 -9.376 1.00 0.00 H new ATOM 0 HA THR A 32 15.406 -1.015 -8.948 1.00 0.00 H new ATOM 0 HB THR A 32 13.015 -1.016 -9.628 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.778 -0.326 -6.954 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.321 -1.989 -8.111 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.366 -3.240 -8.826 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.621 -2.723 -7.142 1.00 0.00 H new ATOM 406 N CYS A 33 15.885 -3.514 -7.337 1.00 0.00 N ATOM 407 CA CYS A 33 16.332 -4.167 -6.128 1.00 0.00 C ATOM 408 C CYS A 33 17.586 -3.483 -5.587 1.00 0.00 C ATOM 409 O CYS A 33 18.590 -3.355 -6.286 1.00 0.00 O ATOM 410 CB CYS A 33 16.605 -5.647 -6.406 1.00 0.00 C ATOM 411 SG CYS A 33 17.019 -6.620 -4.943 1.00 0.00 S ATOM 0 H CYS A 33 16.164 -3.988 -8.196 1.00 0.00 H new ATOM 0 HA CYS A 33 15.549 -4.091 -5.374 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.725 -6.083 -6.880 1.00 0.00 H new ATOM 0 HB3 CYS A 33 17.424 -5.724 -7.122 1.00 0.00 H new ATOM 416 N ALA A 34 17.526 -3.054 -4.338 1.00 0.00 N ATOM 417 CA ALA A 34 18.642 -2.355 -3.711 1.00 0.00 C ATOM 418 C ALA A 34 19.702 -3.333 -3.209 1.00 0.00 C ATOM 419 O ALA A 34 20.634 -2.945 -2.505 1.00 0.00 O ATOM 420 CB ALA A 34 18.141 -1.481 -2.572 1.00 0.00 C ATOM 0 H ALA A 34 16.714 -3.177 -3.733 1.00 0.00 H new ATOM 0 HA ALA A 34 19.108 -1.721 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.983 -0.965 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.434 -0.748 -2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.646 -2.103 -1.826 1.00 0.00 H new ATOM 426 N ALA A 35 19.553 -4.597 -3.572 1.00 0.00 N ATOM 427 CA ALA A 35 20.504 -5.618 -3.177 1.00 0.00 C ATOM 428 C ALA A 35 21.570 -5.803 -4.242 1.00 0.00 C ATOM 429 O ALA A 35 22.603 -6.442 -4.005 1.00 0.00 O ATOM 430 CB ALA A 35 19.791 -6.930 -2.915 1.00 0.00 C ATOM 0 H ALA A 35 18.779 -4.939 -4.142 1.00 0.00 H new ATOM 0 HA ALA A 35 20.991 -5.293 -2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.518 -7.686 -2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.063 -6.795 -2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.279 -7.253 -3.821 1.00 0.00 H new ATOM 436 N CYS A 36 21.326 -5.247 -5.408 1.00 0.00 N ATOM 437 CA CYS A 36 22.250 -5.382 -6.514 1.00 0.00 C ATOM 438 C CYS A 36 22.409 -4.078 -7.294 1.00 0.00 C ATOM 439 O CYS A 36 23.459 -3.828 -7.900 1.00 0.00 O ATOM 440 CB CYS A 36 21.788 -6.505 -7.423 1.00 0.00 C ATOM 441 SG CYS A 36 20.050 -6.399 -7.889 1.00 0.00 S ATOM 0 H CYS A 36 20.493 -4.696 -5.616 1.00 0.00 H new ATOM 0 HA CYS A 36 23.233 -5.624 -6.109 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.397 -6.502 -8.327 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.963 -7.458 -6.924 1.00 0.00 H new ATOM 446 N LYS A 37 21.381 -3.249 -7.283 1.00 0.00 N ATOM 447 CA LYS A 37 21.436 -1.975 -7.972 1.00 0.00 C ATOM 448 C LYS A 37 22.205 -0.960 -7.131 1.00 0.00 C ATOM 449 O LYS A 37 21.901 -0.755 -5.952 1.00 0.00 O ATOM 450 CB LYS A 37 20.023 -1.475 -8.272 1.00 0.00 C ATOM 451 CG LYS A 37 19.970 -0.226 -9.130 1.00 0.00 C ATOM 452 CD LYS A 37 18.539 0.125 -9.481 1.00 0.00 C ATOM 453 CE LYS A 37 18.467 1.366 -10.348 1.00 0.00 C ATOM 454 NZ LYS A 37 17.074 1.685 -10.727 1.00 0.00 N ATOM 0 H LYS A 37 20.500 -3.436 -6.805 1.00 0.00 H new ATOM 0 HA LYS A 37 21.959 -2.104 -8.919 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.468 -2.269 -8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.513 -1.276 -7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.433 0.605 -8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.545 -0.382 -10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.076 -0.712 -10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.968 0.285 -8.566 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.901 2.210 -9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 37 19.064 1.217 -11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.958 2.717 -10.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.860 1.260 -11.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.423 1.303 -10.011 1.00 0.00 H new ATOM 468 N THR A 38 23.204 -0.343 -7.730 1.00 0.00 N ATOM 469 CA THR A 38 24.040 0.602 -7.023 1.00 0.00 C ATOM 470 C THR A 38 24.219 1.891 -7.839 1.00 0.00 C ATOM 471 O THR A 38 23.748 1.987 -8.981 1.00 0.00 O ATOM 472 CB THR A 38 25.421 -0.029 -6.699 1.00 0.00 C ATOM 473 OG1 THR A 38 26.206 0.865 -5.911 1.00 0.00 O ATOM 474 CG2 THR A 38 26.174 -0.384 -7.974 1.00 0.00 C ATOM 0 H THR A 38 23.456 -0.481 -8.709 1.00 0.00 H new ATOM 0 HA THR A 38 23.546 0.857 -6.086 1.00 0.00 H new ATOM 0 HB THR A 38 25.244 -0.944 -6.134 1.00 0.00 H new ATOM 0 HG1 THR A 38 27.073 0.452 -5.714 1.00 0.00 H new ATOM 0 HG21 THR A 38 27.138 -0.824 -7.717 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.591 -1.100 -8.553 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.333 0.518 -8.566 1.00 0.00 H new ATOM 482 N CYS A 39 24.888 2.873 -7.250 1.00 0.00 N ATOM 483 CA CYS A 39 25.115 4.152 -7.891 1.00 0.00 C ATOM 484 C CYS A 39 26.305 4.866 -7.247 1.00 0.00 C ATOM 485 O CYS A 39 26.565 4.690 -6.055 1.00 0.00 O ATOM 486 CB CYS A 39 23.856 5.013 -7.783 1.00 0.00 C ATOM 487 SG CYS A 39 24.029 6.681 -8.427 1.00 0.00 S ATOM 0 H CYS A 39 25.287 2.801 -6.314 1.00 0.00 H new ATOM 0 HA CYS A 39 25.343 3.986 -8.944 1.00 0.00 H new ATOM 0 HB2 CYS A 39 23.045 4.515 -8.315 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.561 5.072 -6.735 1.00 0.00 H new ATOM 492 N ASN A 40 27.032 5.648 -8.040 1.00 0.00 N ATOM 493 CA ASN A 40 28.187 6.393 -7.534 1.00 0.00 C ATOM 494 C ASN A 40 27.920 7.888 -7.476 1.00 0.00 C ATOM 495 O ASN A 40 28.695 8.639 -6.891 1.00 0.00 O ATOM 496 CB ASN A 40 29.441 6.115 -8.366 1.00 0.00 C ATOM 497 CG ASN A 40 30.134 4.828 -7.964 1.00 0.00 C ATOM 498 OD1 ASN A 40 31.012 4.824 -7.101 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.751 3.735 -8.584 1.00 0.00 N ATOM 0 H ASN A 40 26.845 5.784 -9.033 1.00 0.00 H new ATOM 0 HA ASN A 40 28.360 6.042 -6.517 1.00 0.00 H new ATOM 0 HB2 ASN A 40 29.169 6.063 -9.420 1.00 0.00 H new ATOM 0 HB3 ASN A 40 30.137 6.947 -8.257 1.00 0.00 H new ATOM 0 HD21 ASN A 40 30.185 2.841 -8.356 1.00 0.00 H new ATOM 0 HD22 ASN A 40 29.020 3.781 -9.293 1.00 0.00 H new ATOM 506 N CYS A 41 26.841 8.332 -8.099 1.00 0.00 N ATOM 507 CA CYS A 41 26.479 9.731 -8.039 1.00 0.00 C ATOM 508 C CYS A 41 25.754 10.003 -6.719 1.00 0.00 C ATOM 509 O CYS A 41 24.878 9.242 -6.313 1.00 0.00 O ATOM 510 CB CYS A 41 25.610 10.129 -9.244 1.00 0.00 C ATOM 511 SG CYS A 41 26.422 9.891 -10.876 1.00 0.00 S ATOM 0 H CYS A 41 26.209 7.748 -8.646 1.00 0.00 H new ATOM 0 HA CYS A 41 27.382 10.339 -8.082 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.689 9.546 -9.221 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.326 11.177 -9.142 1.00 0.00 H new ATOM 516 N THR A 42 26.137 11.064 -6.045 1.00 0.00 N ATOM 517 CA THR A 42 25.569 11.382 -4.744 1.00 0.00 C ATOM 518 C THR A 42 24.756 12.667 -4.792 1.00 0.00 C ATOM 519 O THR A 42 24.707 13.339 -5.822 1.00 0.00 O ATOM 520 CB THR A 42 26.673 11.508 -3.665 1.00 0.00 C ATOM 521 OG1 THR A 42 27.618 12.523 -4.040 1.00 0.00 O ATOM 522 CG2 THR A 42 27.401 10.183 -3.477 1.00 0.00 C ATOM 0 H THR A 42 26.841 11.726 -6.373 1.00 0.00 H new ATOM 0 HA THR A 42 24.907 10.558 -4.477 1.00 0.00 H new ATOM 0 HB THR A 42 26.196 11.784 -2.724 1.00 0.00 H new ATOM 0 HG1 THR A 42 28.311 12.596 -3.351 1.00 0.00 H new ATOM 0 HG21 THR A 42 28.172 10.296 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 42 26.690 9.418 -3.164 1.00 0.00 H new ATOM 0 HG23 THR A 42 27.863 9.885 -4.418 1.00 0.00 H new ATOM 530 N SER A 43 24.132 13.013 -3.665 1.00 0.00 N ATOM 531 CA SER A 43 23.307 14.214 -3.556 1.00 0.00 C ATOM 532 C SER A 43 24.145 15.475 -3.784 1.00 0.00 C ATOM 533 O SER A 43 23.610 16.548 -4.081 1.00 0.00 O ATOM 534 CB SER A 43 22.625 14.256 -2.183 1.00 0.00 C ATOM 535 OG SER A 43 21.681 15.309 -2.101 1.00 0.00 O ATOM 0 H SER A 43 24.185 12.469 -2.804 1.00 0.00 H new ATOM 0 HA SER A 43 22.539 14.181 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 43 22.127 13.305 -1.994 1.00 0.00 H new ATOM 0 HB3 SER A 43 23.379 14.381 -1.406 1.00 0.00 H new ATOM 0 HG SER A 43 21.264 15.306 -1.214 1.00 0.00 H new ATOM 541 N ASP A 44 25.458 15.336 -3.651 1.00 0.00 N ATOM 542 CA ASP A 44 26.381 16.434 -3.903 1.00 0.00 C ATOM 543 C ASP A 44 26.339 16.841 -5.377 1.00 0.00 C ATOM 544 O ASP A 44 26.716 17.956 -5.736 1.00 0.00 O ATOM 545 CB ASP A 44 27.803 16.036 -3.499 1.00 0.00 C ATOM 546 CG ASP A 44 28.826 17.107 -3.820 1.00 0.00 C ATOM 547 OD1 ASP A 44 29.708 16.858 -4.675 1.00 0.00 O ATOM 548 OD2 ASP A 44 28.757 18.204 -3.224 1.00 0.00 O ATOM 0 H ASP A 44 25.910 14.466 -3.368 1.00 0.00 H new ATOM 0 HA ASP A 44 26.075 17.289 -3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 44 27.827 15.826 -2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 44 28.077 15.113 -4.011 1.00 0.00 H new ATOM 553 N GLY A 45 25.863 15.938 -6.220 1.00 0.00 N ATOM 554 CA GLY A 45 25.751 16.232 -7.624 1.00 0.00 C ATOM 555 C GLY A 45 25.882 14.998 -8.482 1.00 0.00 C ATOM 556 O GLY A 45 26.610 14.059 -8.129 1.00 0.00 O ATOM 0 H GLY A 45 25.552 15.004 -5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 45 24.788 16.705 -7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 45 26.522 16.950 -7.905 1.00 0.00 H new ATOM 560 N CYS A 46 25.169 14.986 -9.594 1.00 0.00 N ATOM 561 CA CYS A 46 25.238 13.888 -10.534 1.00 0.00 C ATOM 562 C CYS A 46 26.539 13.983 -11.313 1.00 0.00 C ATOM 563 O CYS A 46 26.982 15.082 -11.651 1.00 0.00 O ATOM 564 CB CYS A 46 24.055 13.940 -11.499 1.00 0.00 C ATOM 565 SG CYS A 46 24.118 12.698 -12.812 1.00 0.00 S ATOM 0 H CYS A 46 24.531 15.733 -9.867 1.00 0.00 H new ATOM 0 HA CYS A 46 25.200 12.945 -9.988 1.00 0.00 H new ATOM 0 HB2 CYS A 46 23.133 13.809 -10.933 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.013 14.930 -11.952 1.00 0.00 H new ATOM 570 N LYS A 47 27.154 12.850 -11.601 1.00 0.00 N ATOM 571 CA LYS A 47 28.425 12.862 -12.302 1.00 0.00 C ATOM 572 C LYS A 47 28.368 12.107 -13.624 1.00 0.00 C ATOM 573 O LYS A 47 29.327 12.135 -14.394 1.00 0.00 O ATOM 574 CB LYS A 47 29.538 12.292 -11.418 1.00 0.00 C ATOM 575 CG LYS A 47 29.737 13.049 -10.114 1.00 0.00 C ATOM 576 CD LYS A 47 31.004 12.609 -9.394 1.00 0.00 C ATOM 577 CE LYS A 47 30.982 11.127 -9.054 1.00 0.00 C ATOM 578 NZ LYS A 47 32.190 10.719 -8.297 1.00 0.00 N ATOM 0 H LYS A 47 26.801 11.923 -11.365 1.00 0.00 H new ATOM 0 HA LYS A 47 28.647 13.904 -12.531 1.00 0.00 H new ATOM 0 HB2 LYS A 47 29.311 11.250 -11.191 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.473 12.300 -11.978 1.00 0.00 H new ATOM 0 HG2 LYS A 47 29.788 14.118 -10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 47 28.876 12.889 -9.465 1.00 0.00 H new ATOM 0 HD2 LYS A 47 31.870 12.824 -10.020 1.00 0.00 H new ATOM 0 HD3 LYS A 47 31.121 13.189 -8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 47 30.092 10.902 -8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 47 30.914 10.544 -9.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 32.139 9.702 -8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 33.038 10.911 -8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 32.241 11.257 -7.409 1.00 0.00 H new ATOM 592 N CYS A 48 27.264 11.438 -13.896 1.00 0.00 N ATOM 593 CA CYS A 48 27.154 10.688 -15.134 1.00 0.00 C ATOM 594 C CYS A 48 26.360 11.474 -16.177 1.00 0.00 C ATOM 595 O CYS A 48 26.692 11.462 -17.363 1.00 0.00 O ATOM 596 CB CYS A 48 26.522 9.315 -14.885 1.00 0.00 C ATOM 597 SG CYS A 48 24.732 9.336 -14.696 1.00 0.00 S ATOM 0 H CYS A 48 26.444 11.397 -13.290 1.00 0.00 H new ATOM 0 HA CYS A 48 28.159 10.530 -15.525 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.779 8.656 -15.714 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.964 8.884 -13.987 1.00 0.00 H new ATOM 602 N GLY A 49 25.321 12.173 -15.729 1.00 0.00 N ATOM 603 CA GLY A 49 24.508 12.953 -16.642 1.00 0.00 C ATOM 604 C GLY A 49 23.063 12.490 -16.680 1.00 0.00 C ATOM 605 O GLY A 49 22.238 13.060 -17.395 1.00 0.00 O ATOM 0 H GLY A 49 25.029 12.213 -14.752 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.542 14.002 -16.347 1.00 0.00 H new ATOM 0 HA3 GLY A 49 24.932 12.890 -17.644 1.00 0.00 H new ATOM 609 N LYS A 50 22.750 11.453 -15.913 1.00 0.00 N ATOM 610 CA LYS A 50 21.388 10.925 -15.855 1.00 0.00 C ATOM 611 C LYS A 50 20.549 11.698 -14.844 1.00 0.00 C ATOM 612 O LYS A 50 19.367 11.389 -14.635 1.00 0.00 O ATOM 613 CB LYS A 50 21.402 9.443 -15.494 1.00 0.00 C ATOM 614 CG LYS A 50 22.049 8.549 -16.545 1.00 0.00 C ATOM 615 CD LYS A 50 21.165 8.379 -17.765 1.00 0.00 C ATOM 616 CE LYS A 50 21.784 7.410 -18.757 1.00 0.00 C ATOM 617 NZ LYS A 50 20.906 7.183 -19.929 1.00 0.00 N ATOM 0 H LYS A 50 23.419 10.959 -15.322 1.00 0.00 H new ATOM 0 HA LYS A 50 20.940 11.043 -16.842 1.00 0.00 H new ATOM 0 HB2 LYS A 50 21.931 9.316 -14.550 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.377 9.111 -15.332 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.005 8.977 -16.846 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.260 7.572 -16.110 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.184 8.015 -17.459 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.011 9.346 -18.244 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.745 7.799 -19.093 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.981 6.459 -18.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.364 6.516 -20.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.998 6.788 -19.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.739 8.086 -20.417 1.00 0.00 H new ATOM 631 N GLU A 51 21.176 12.699 -14.213 1.00 0.00 N ATOM 632 CA GLU A 51 20.519 13.564 -13.229 1.00 0.00 C ATOM 633 C GLU A 51 20.080 12.773 -12.004 1.00 0.00 C ATOM 634 O GLU A 51 19.044 13.056 -11.397 1.00 0.00 O ATOM 635 CB GLU A 51 19.330 14.293 -13.859 1.00 0.00 C ATOM 636 CG GLU A 51 19.714 15.150 -15.048 1.00 0.00 C ATOM 637 CD GLU A 51 18.540 15.857 -15.660 1.00 0.00 C ATOM 638 OE1 GLU A 51 17.861 15.255 -16.513 1.00 0.00 O ATOM 639 OE2 GLU A 51 18.295 17.022 -15.294 1.00 0.00 O ATOM 0 H GLU A 51 22.156 12.931 -14.372 1.00 0.00 H new ATOM 0 HA GLU A 51 21.244 14.309 -12.901 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.588 13.559 -14.173 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.857 14.922 -13.105 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.453 15.887 -14.735 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.189 14.524 -15.803 1.00 0.00 H new ATOM 646 N CYS A 52 20.872 11.797 -11.641 1.00 0.00 N ATOM 647 CA CYS A 52 20.588 10.965 -10.497 1.00 0.00 C ATOM 648 C CYS A 52 21.544 11.297 -9.367 1.00 0.00 C ATOM 649 O CYS A 52 22.638 11.813 -9.600 1.00 0.00 O ATOM 650 CB CYS A 52 20.751 9.516 -10.882 1.00 0.00 C ATOM 651 SG CYS A 52 22.379 9.157 -11.540 1.00 0.00 S ATOM 0 H CYS A 52 21.734 11.555 -12.130 1.00 0.00 H new ATOM 0 HA CYS A 52 19.566 11.146 -10.165 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.570 8.889 -10.009 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.997 9.254 -11.624 1.00 0.00 H new ATOM 656 N THR A 53 21.133 11.020 -8.150 1.00 0.00 N ATOM 657 CA THR A 53 21.968 11.276 -7.000 1.00 0.00 C ATOM 658 C THR A 53 21.837 10.147 -5.975 1.00 0.00 C ATOM 659 O THR A 53 21.614 10.392 -4.783 1.00 0.00 O ATOM 660 CB THR A 53 21.601 12.614 -6.324 1.00 0.00 C ATOM 661 OG1 THR A 53 20.210 12.625 -5.978 1.00 0.00 O ATOM 662 CG2 THR A 53 21.909 13.802 -7.225 1.00 0.00 C ATOM 0 H THR A 53 20.222 10.616 -7.932 1.00 0.00 H new ATOM 0 HA THR A 53 22.997 11.331 -7.355 1.00 0.00 H new ATOM 0 HB THR A 53 22.207 12.704 -5.423 1.00 0.00 H new ATOM 0 HG1 THR A 53 19.987 13.477 -5.548 1.00 0.00 H new ATOM 0 HG21 THR A 53 21.637 14.726 -6.715 1.00 0.00 H new ATOM 0 HG22 THR A 53 22.974 13.816 -7.458 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.337 13.716 -8.149 1.00 0.00 H new ATOM 670 N GLY A 54 21.980 8.916 -6.435 1.00 0.00 N ATOM 671 CA GLY A 54 21.852 7.779 -5.544 1.00 0.00 C ATOM 672 C GLY A 54 20.982 6.682 -6.129 1.00 0.00 C ATOM 673 O GLY A 54 20.114 6.962 -6.947 1.00 0.00 O ATOM 0 H GLY A 54 22.182 8.681 -7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 54 22.842 7.377 -5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.427 8.109 -4.596 1.00 0.00 H new ATOM 677 N PRO A 55 21.194 5.408 -5.704 1.00 0.00 N ATOM 678 CA PRO A 55 20.456 4.236 -6.224 1.00 0.00 C ATOM 679 C PRO A 55 18.932 4.408 -6.225 1.00 0.00 C ATOM 680 O PRO A 55 18.260 4.022 -7.185 1.00 0.00 O ATOM 681 CB PRO A 55 20.853 3.114 -5.263 1.00 0.00 C ATOM 682 CG PRO A 55 22.191 3.511 -4.753 1.00 0.00 C ATOM 683 CD PRO A 55 22.184 5.013 -4.679 1.00 0.00 C ATOM 0 HA PRO A 55 20.707 4.054 -7.269 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.133 3.015 -4.451 1.00 0.00 H new ATOM 0 HB3 PRO A 55 20.893 2.151 -5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 55 22.379 3.074 -3.772 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.981 3.158 -5.416 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.897 5.364 -3.688 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.169 5.429 -4.891 1.00 0.00 H new ATOM 691 N ASP A 56 18.393 4.990 -5.160 1.00 0.00 N ATOM 692 CA ASP A 56 16.940 5.165 -5.032 1.00 0.00 C ATOM 693 C ASP A 56 16.390 6.098 -6.105 1.00 0.00 C ATOM 694 O ASP A 56 15.286 5.902 -6.601 1.00 0.00 O ATOM 695 CB ASP A 56 16.564 5.688 -3.642 1.00 0.00 C ATOM 696 CG ASP A 56 17.089 7.083 -3.365 1.00 0.00 C ATOM 697 OD1 ASP A 56 18.262 7.208 -2.971 1.00 0.00 O ATOM 698 OD2 ASP A 56 16.324 8.060 -3.540 1.00 0.00 O ATOM 0 H ASP A 56 18.932 5.349 -4.372 1.00 0.00 H new ATOM 0 HA ASP A 56 16.489 4.182 -5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.478 5.689 -3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 56 16.952 5.004 -2.887 1.00 0.00 H new ATOM 703 N SER A 57 17.167 7.094 -6.471 1.00 0.00 N ATOM 704 CA SER A 57 16.750 8.052 -7.477 1.00 0.00 C ATOM 705 C SER A 57 17.513 7.814 -8.774 1.00 0.00 C ATOM 706 O SER A 57 17.627 8.699 -9.620 1.00 0.00 O ATOM 707 CB SER A 57 16.994 9.472 -6.971 1.00 0.00 C ATOM 708 OG SER A 57 16.314 9.708 -5.739 1.00 0.00 O ATOM 0 H SER A 57 18.096 7.264 -6.086 1.00 0.00 H new ATOM 0 HA SER A 57 15.685 7.925 -7.672 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.063 9.633 -6.835 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.656 10.190 -7.719 1.00 0.00 H new ATOM 0 HG SER A 57 16.583 9.032 -5.082 1.00 0.00 H new ATOM 714 N CYS A 58 18.021 6.607 -8.924 1.00 0.00 N ATOM 715 CA CYS A 58 18.801 6.249 -10.080 1.00 0.00 C ATOM 716 C CYS A 58 17.944 5.511 -11.099 1.00 0.00 C ATOM 717 O CYS A 58 17.320 4.492 -10.787 1.00 0.00 O ATOM 718 CB CYS A 58 19.988 5.387 -9.656 1.00 0.00 C ATOM 719 SG CYS A 58 21.148 5.009 -10.976 1.00 0.00 S ATOM 0 H CYS A 58 17.902 5.853 -8.248 1.00 0.00 H new ATOM 0 HA CYS A 58 19.174 7.160 -10.548 1.00 0.00 H new ATOM 0 HB2 CYS A 58 20.523 5.897 -8.855 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.611 4.452 -9.242 1.00 0.00 H new ATOM 724 N LYS A 59 17.910 6.036 -12.308 1.00 0.00 N ATOM 725 CA LYS A 59 17.139 5.441 -13.389 1.00 0.00 C ATOM 726 C LYS A 59 18.012 4.467 -14.173 1.00 0.00 C ATOM 727 O LYS A 59 17.516 3.611 -14.902 1.00 0.00 O ATOM 728 CB LYS A 59 16.620 6.549 -14.313 1.00 0.00 C ATOM 729 CG LYS A 59 15.681 6.072 -15.414 1.00 0.00 C ATOM 730 CD LYS A 59 15.313 7.209 -16.358 1.00 0.00 C ATOM 731 CE LYS A 59 14.628 8.349 -15.619 1.00 0.00 C ATOM 732 NZ LYS A 59 14.343 9.497 -16.512 1.00 0.00 N ATOM 0 H LYS A 59 18.413 6.884 -12.571 1.00 0.00 H new ATOM 0 HA LYS A 59 16.292 4.894 -12.974 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.101 7.294 -13.709 1.00 0.00 H new ATOM 0 HB3 LYS A 59 17.473 7.049 -14.773 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.156 5.268 -15.977 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.776 5.658 -14.969 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.212 7.581 -16.849 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.654 6.834 -17.141 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.696 7.990 -15.182 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.261 8.679 -14.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.876 10.252 -15.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.234 9.857 -16.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.718 9.189 -17.284 1.00 0.00 H new ATOM 746 N CYS A 60 19.311 4.607 -13.997 1.00 0.00 N ATOM 747 CA CYS A 60 20.285 3.785 -14.682 1.00 0.00 C ATOM 748 C CYS A 60 20.277 2.361 -14.130 1.00 0.00 C ATOM 749 O CYS A 60 19.909 2.135 -12.973 1.00 0.00 O ATOM 750 CB CYS A 60 21.664 4.399 -14.495 1.00 0.00 C ATOM 751 SG CYS A 60 21.636 6.197 -14.327 1.00 0.00 S ATOM 0 H CYS A 60 19.722 5.299 -13.370 1.00 0.00 H new ATOM 0 HA CYS A 60 20.033 3.741 -15.741 1.00 0.00 H new ATOM 0 HB2 CYS A 60 22.128 3.967 -13.609 1.00 0.00 H new ATOM 0 HB3 CYS A 60 22.291 4.131 -15.346 1.00 0.00 H new ATOM 756 N GLY A 61 20.684 1.413 -14.953 1.00 0.00 N ATOM 757 CA GLY A 61 20.738 0.037 -14.522 1.00 0.00 C ATOM 758 C GLY A 61 22.102 -0.333 -13.978 1.00 0.00 C ATOM 759 O GLY A 61 22.477 0.085 -12.881 1.00 0.00 O ATOM 0 H GLY A 61 20.979 1.573 -15.916 1.00 0.00 H new ATOM 0 HA2 GLY A 61 19.983 -0.132 -13.754 1.00 0.00 H new ATOM 0 HA3 GLY A 61 20.492 -0.615 -15.360 1.00 0.00 H new ATOM 763 N SER A 62 22.846 -1.105 -14.743 1.00 0.00 N ATOM 764 CA SER A 62 24.171 -1.539 -14.334 1.00 0.00 C ATOM 765 C SER A 62 25.224 -1.162 -15.379 1.00 0.00 C ATOM 766 O SER A 62 26.394 -0.979 -15.057 1.00 0.00 O ATOM 767 CB SER A 62 24.177 -3.050 -14.110 1.00 0.00 C ATOM 768 OG SER A 62 23.759 -3.734 -15.282 1.00 0.00 O ATOM 0 H SER A 62 22.555 -1.448 -15.658 1.00 0.00 H new ATOM 0 HA SER A 62 24.422 -1.033 -13.402 1.00 0.00 H new ATOM 0 HB2 SER A 62 25.178 -3.377 -13.830 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.516 -3.302 -13.281 1.00 0.00 H new ATOM 0 HG SER A 62 23.069 -4.390 -15.049 1.00 0.00 H new ATOM 774 N SER A 63 24.797 -1.029 -16.623 1.00 0.00 N ATOM 775 CA SER A 63 25.706 -0.724 -17.717 1.00 0.00 C ATOM 776 C SER A 63 25.862 0.789 -17.908 1.00 0.00 C ATOM 777 O SER A 63 25.738 1.300 -19.021 1.00 0.00 O ATOM 778 CB SER A 63 25.190 -1.370 -19.002 1.00 0.00 C ATOM 779 OG SER A 63 24.918 -2.753 -18.798 1.00 0.00 O ATOM 0 H SER A 63 23.821 -1.128 -16.903 1.00 0.00 H new ATOM 0 HA SER A 63 26.688 -1.129 -17.473 1.00 0.00 H new ATOM 0 HB2 SER A 63 24.284 -0.861 -19.332 1.00 0.00 H new ATOM 0 HB3 SER A 63 25.928 -1.253 -19.795 1.00 0.00 H new ATOM 0 HG SER A 63 24.587 -3.148 -19.632 1.00 0.00 H new ATOM 785 N CYS A 64 26.140 1.495 -16.825 1.00 0.00 N ATOM 786 CA CYS A 64 26.316 2.927 -16.891 1.00 0.00 C ATOM 787 C CYS A 64 27.663 3.350 -16.303 1.00 0.00 C ATOM 788 O CYS A 64 28.345 2.559 -15.643 1.00 0.00 O ATOM 789 CB CYS A 64 25.184 3.628 -16.166 1.00 0.00 C ATOM 790 SG CYS A 64 25.167 5.416 -16.405 1.00 0.00 S ATOM 0 H CYS A 64 26.248 1.096 -15.893 1.00 0.00 H new ATOM 0 HA CYS A 64 26.302 3.219 -17.941 1.00 0.00 H new ATOM 0 HB2 CYS A 64 24.235 3.216 -16.508 1.00 0.00 H new ATOM 0 HB3 CYS A 64 25.259 3.414 -15.100 1.00 0.00 H new ATOM 795 N SER A 65 28.026 4.604 -16.537 1.00 0.00 N ATOM 796 CA SER A 65 29.288 5.157 -16.078 1.00 0.00 C ATOM 797 C SER A 65 29.312 5.333 -14.555 1.00 0.00 C ATOM 798 O SER A 65 30.370 5.259 -13.936 1.00 0.00 O ATOM 799 CB SER A 65 29.542 6.501 -16.764 1.00 0.00 C ATOM 800 OG SER A 65 29.450 6.375 -18.178 1.00 0.00 O ATOM 0 H SER A 65 27.449 5.268 -17.053 1.00 0.00 H new ATOM 0 HA SER A 65 30.078 4.453 -16.341 1.00 0.00 H new ATOM 0 HB2 SER A 65 28.818 7.236 -16.413 1.00 0.00 H new ATOM 0 HB3 SER A 65 30.530 6.872 -16.492 1.00 0.00 H new ATOM 0 HG SER A 65 29.614 7.246 -18.595 1.00 0.00 H new ATOM 806 N CYS A 66 28.147 5.546 -13.949 1.00 0.00 N ATOM 807 CA CYS A 66 28.081 5.744 -12.503 1.00 0.00 C ATOM 808 C CYS A 66 28.025 4.401 -11.763 1.00 0.00 C ATOM 809 O CYS A 66 27.674 4.341 -10.582 1.00 0.00 O ATOM 810 CB CYS A 66 26.880 6.636 -12.124 1.00 0.00 C ATOM 811 SG CYS A 66 25.253 5.869 -12.306 1.00 0.00 S ATOM 0 H CYS A 66 27.247 5.586 -14.428 1.00 0.00 H new ATOM 0 HA CYS A 66 28.992 6.256 -12.193 1.00 0.00 H new ATOM 0 HB2 CYS A 66 26.999 6.954 -11.088 1.00 0.00 H new ATOM 0 HB3 CYS A 66 26.909 7.535 -12.739 1.00 0.00 H new ATOM 816 N LYS A 67 28.391 3.327 -12.462 1.00 0.00 N ATOM 817 CA LYS A 67 28.384 1.988 -11.872 1.00 0.00 C ATOM 818 C LYS A 67 29.804 1.454 -11.732 1.00 0.00 C ATOM 819 O LYS A 67 30.447 1.771 -10.696 1.00 0.00 O ATOM 820 CB LYS A 67 27.549 1.020 -12.717 1.00 0.00 C ATOM 821 CG LYS A 67 26.179 1.554 -13.101 1.00 0.00 C ATOM 822 CD LYS A 67 25.422 2.070 -11.895 1.00 0.00 C ATOM 823 CE LYS A 67 24.110 2.701 -12.301 1.00 0.00 C ATOM 824 NZ LYS A 67 23.574 3.563 -11.232 1.00 0.00 N ATOM 0 H LYS A 67 28.695 3.357 -13.435 1.00 0.00 H new ATOM 0 HA LYS A 67 27.934 2.065 -10.882 1.00 0.00 H new ATOM 0 HB2 LYS A 67 28.101 0.779 -13.626 1.00 0.00 H new ATOM 0 HB3 LYS A 67 27.422 0.089 -12.165 1.00 0.00 H new ATOM 0 HG2 LYS A 67 26.292 2.356 -13.830 1.00 0.00 H new ATOM 0 HG3 LYS A 67 25.602 0.764 -13.582 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.235 1.250 -11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 67 26.032 2.802 -11.366 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.253 3.289 -13.208 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.387 1.920 -12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.601 3.845 -11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.575 3.041 -10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.168 4.412 -11.140 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 CD CD A 101 17.127 -7.454 -10.681 1.00 0.00 CD HETATM 840 CD CD A 102 18.405 -7.955 -6.853 1.00 0.00 CD HETATM 841 CD CD A 103 21.020 -8.000 -9.806 1.00 0.00 CD HETATM 842 CD CD A 104 23.190 6.708 -10.845 1.00 0.00 CD HETATM 843 CD CD A 105 24.261 6.708 -14.431 1.00 0.00 CD HETATM 844 CD CD A 106 24.408 10.292 -12.506 1.00 0.00 CD