USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=20 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.0228 (180deg=-0.2) USER MOD Single : A 9 LYS NZ :NH3+ -147:sc= 0.0469 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 120:sc= -0.571 USER MOD Single : A 12 SER OG : rot 180:sc= 0.378 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 20 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.012) USER MOD Single : A 23 SER OG : rot 43:sc= 1.19 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 32 THR OG1 : rot 25:sc= 0.612 USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= 0.168! (180deg=-0.438) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.177 X(o=0.18,f=-0.00071) USER MOD Single : A 42 THR OG1 : rot 3:sc= 0.681 USER MOD Single : A 43 SER OG : rot -21:sc= 0.0575 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 145:sc= -0.134 (180deg=-0.705) USER MOD Single : A 53 THR OG1 : rot 12:sc= 0.901 USER MOD Single : A 57 SER OG : rot 2:sc= 0.457 USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.112) USER MOD Single : A 62 SER OG : rot 168:sc= -0.151 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 151:sc= 1.06 (180deg=-2.99!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.879 9.478 -29.502 1.00 0.00 N ATOM 2 CA GLY A 1 -17.396 9.617 -29.462 1.00 0.00 C ATOM 3 C GLY A 1 -16.913 10.298 -28.192 1.00 0.00 C ATOM 4 O GLY A 1 -16.208 9.692 -27.379 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.160 9.008 -30.386 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.196 8.909 -28.692 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.317 10.420 -29.456 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.939 8.630 -29.539 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.064 10.190 -30.328 1.00 0.00 H new ATOM 7 N SER A 2 -17.294 11.552 -28.019 1.00 0.00 N ATOM 8 CA SER A 2 -16.897 12.320 -26.850 1.00 0.00 C ATOM 9 C SER A 2 -17.881 12.116 -25.700 1.00 0.00 C ATOM 10 O SER A 2 -17.546 12.342 -24.536 1.00 0.00 O ATOM 11 CB SER A 2 -16.798 13.802 -27.206 1.00 0.00 C ATOM 12 OG SER A 2 -15.879 14.006 -28.270 1.00 0.00 O ATOM 0 H SER A 2 -17.882 12.063 -28.678 1.00 0.00 H new ATOM 0 HA SER A 2 -15.919 11.966 -26.524 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.780 14.178 -27.491 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.481 14.370 -26.332 1.00 0.00 H new ATOM 0 HG SER A 2 -15.832 14.961 -28.483 1.00 0.00 H new ATOM 18 N GLY A 3 -19.089 11.687 -26.030 1.00 0.00 N ATOM 19 CA GLY A 3 -20.089 11.453 -25.015 1.00 0.00 C ATOM 20 C GLY A 3 -20.778 12.729 -24.588 1.00 0.00 C ATOM 21 O GLY A 3 -21.244 13.501 -25.427 1.00 0.00 O ATOM 0 H GLY A 3 -19.393 11.497 -26.985 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -20.831 10.750 -25.394 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -19.622 10.986 -24.148 1.00 0.00 H new ATOM 25 N LYS A 4 -20.844 12.952 -23.291 1.00 0.00 N ATOM 26 CA LYS A 4 -21.479 14.144 -22.746 1.00 0.00 C ATOM 27 C LYS A 4 -20.486 14.936 -21.914 1.00 0.00 C ATOM 28 O LYS A 4 -19.383 14.456 -21.628 1.00 0.00 O ATOM 29 CB LYS A 4 -22.710 13.781 -21.883 1.00 0.00 C ATOM 30 CG LYS A 4 -23.951 13.349 -22.671 1.00 0.00 C ATOM 31 CD LYS A 4 -23.794 11.967 -23.288 1.00 0.00 C ATOM 32 CE LYS A 4 -25.032 11.569 -24.075 1.00 0.00 C ATOM 33 NZ LYS A 4 -24.888 10.227 -24.689 1.00 0.00 N ATOM 0 H LYS A 4 -20.464 12.320 -22.586 1.00 0.00 H new ATOM 0 HA LYS A 4 -21.816 14.753 -23.585 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -22.433 12.976 -21.202 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -22.971 14.643 -21.269 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -24.817 13.352 -22.010 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -24.149 14.076 -23.459 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -22.924 11.956 -23.945 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -23.609 11.235 -22.502 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -25.899 11.575 -23.415 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -25.219 12.307 -24.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -25.753 9.992 -25.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -24.076 10.228 -25.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -24.735 9.519 -23.943 1.00 0.00 H new ATOM 47 N GLY A 5 -20.869 16.138 -21.527 1.00 0.00 N ATOM 48 CA GLY A 5 -20.002 16.962 -20.722 1.00 0.00 C ATOM 49 C GLY A 5 -19.822 18.344 -21.299 1.00 0.00 C ATOM 50 O GLY A 5 -19.180 18.513 -22.335 1.00 0.00 O ATOM 0 H GLY A 5 -21.769 16.559 -21.757 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -20.413 17.042 -19.716 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -19.029 16.480 -20.631 1.00 0.00 H new ATOM 54 N LYS A 6 -20.402 19.332 -20.643 1.00 0.00 N ATOM 55 CA LYS A 6 -20.290 20.712 -21.082 1.00 0.00 C ATOM 56 C LYS A 6 -19.522 21.538 -20.062 1.00 0.00 C ATOM 57 O LYS A 6 -20.062 21.918 -19.012 1.00 0.00 O ATOM 58 CB LYS A 6 -21.676 21.320 -21.324 1.00 0.00 C ATOM 59 CG LYS A 6 -22.425 20.713 -22.503 1.00 0.00 C ATOM 60 CD LYS A 6 -21.714 21.001 -23.817 1.00 0.00 C ATOM 61 CE LYS A 6 -22.504 20.481 -25.010 1.00 0.00 C ATOM 62 NZ LYS A 6 -23.807 21.179 -25.167 1.00 0.00 N ATOM 0 H LYS A 6 -20.959 19.204 -19.798 1.00 0.00 H new ATOM 0 HA LYS A 6 -19.740 20.724 -22.023 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -22.277 21.197 -20.423 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -21.567 22.392 -21.490 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -22.514 19.636 -22.364 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -23.438 21.115 -22.539 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -21.563 22.075 -23.921 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -20.727 20.540 -23.805 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -21.914 20.608 -25.918 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -22.678 19.412 -24.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -24.209 20.958 -26.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -24.462 20.863 -24.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -23.663 22.206 -25.087 1.00 0.00 H new ATOM 76 N GLY A 7 -18.260 21.793 -20.356 1.00 0.00 N ATOM 77 CA GLY A 7 -17.432 22.556 -19.453 1.00 0.00 C ATOM 78 C GLY A 7 -16.925 21.707 -18.312 1.00 0.00 C ATOM 79 O GLY A 7 -16.567 20.546 -18.514 1.00 0.00 O ATOM 0 H GLY A 7 -17.793 21.483 -21.208 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.587 22.975 -19.999 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.003 23.396 -19.057 1.00 0.00 H new ATOM 83 N GLU A 8 -16.905 22.268 -17.112 1.00 0.00 N ATOM 84 CA GLU A 8 -16.432 21.542 -15.943 1.00 0.00 C ATOM 85 C GLU A 8 -17.306 21.799 -14.724 1.00 0.00 C ATOM 86 O GLU A 8 -18.199 21.014 -14.406 1.00 0.00 O ATOM 87 CB GLU A 8 -14.975 21.896 -15.627 1.00 0.00 C ATOM 88 CG GLU A 8 -13.978 21.341 -16.637 1.00 0.00 C ATOM 89 CD GLU A 8 -12.540 21.535 -16.219 1.00 0.00 C ATOM 90 OE1 GLU A 8 -11.759 22.088 -17.012 1.00 0.00 O ATOM 91 OE2 GLU A 8 -12.179 21.121 -15.097 1.00 0.00 O ATOM 0 H GLU A 8 -17.210 23.223 -16.922 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.493 20.481 -16.184 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.874 22.981 -15.588 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.725 21.517 -14.636 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.168 20.277 -16.779 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.138 21.825 -17.600 1.00 0.00 H new ATOM 98 N LYS A 9 -17.053 22.906 -14.051 1.00 0.00 N ATOM 99 CA LYS A 9 -17.774 23.249 -12.833 1.00 0.00 C ATOM 100 C LYS A 9 -18.227 24.693 -12.885 1.00 0.00 C ATOM 101 O LYS A 9 -18.442 25.327 -11.851 1.00 0.00 O ATOM 102 CB LYS A 9 -16.861 23.057 -11.616 1.00 0.00 C ATOM 103 CG LYS A 9 -16.258 21.667 -11.493 1.00 0.00 C ATOM 104 CD LYS A 9 -15.288 21.599 -10.330 1.00 0.00 C ATOM 105 CE LYS A 9 -14.637 20.233 -10.223 1.00 0.00 C ATOM 106 NZ LYS A 9 -13.651 20.177 -9.115 1.00 0.00 N ATOM 0 H LYS A 9 -16.348 23.590 -14.328 1.00 0.00 H new ATOM 0 HA LYS A 9 -18.644 22.597 -12.748 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -16.053 23.787 -11.665 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -17.431 23.273 -10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.052 20.933 -11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.742 21.407 -12.417 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.518 22.361 -10.453 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.815 21.825 -9.403 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.405 19.476 -10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.141 19.992 -11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.874 19.536 -9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.271 21.129 -8.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.116 19.826 -8.254 1.00 0.00 H new ATOM 120 N CYS A 10 -18.383 25.209 -14.079 1.00 0.00 N ATOM 121 CA CYS A 10 -18.736 26.593 -14.243 1.00 0.00 C ATOM 122 C CYS A 10 -20.228 26.792 -14.422 1.00 0.00 C ATOM 123 O CYS A 10 -20.922 25.941 -14.982 1.00 0.00 O ATOM 124 CB CYS A 10 -17.949 27.204 -15.384 1.00 0.00 C ATOM 125 SG CYS A 10 -16.177 27.228 -15.067 1.00 0.00 S ATOM 0 H CYS A 10 -18.271 24.690 -14.950 1.00 0.00 H new ATOM 0 HA CYS A 10 -18.470 27.113 -13.323 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -18.144 26.641 -16.297 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -18.297 28.222 -15.557 1.00 0.00 H new ATOM 130 N THR A 11 -20.717 27.919 -13.938 1.00 0.00 N ATOM 131 CA THR A 11 -22.122 28.228 -13.998 1.00 0.00 C ATOM 132 C THR A 11 -22.416 29.184 -15.142 1.00 0.00 C ATOM 133 O THR A 11 -21.503 29.612 -15.856 1.00 0.00 O ATOM 134 CB THR A 11 -22.595 28.855 -12.681 1.00 0.00 C ATOM 135 OG1 THR A 11 -21.843 30.049 -12.425 1.00 0.00 O ATOM 136 CG2 THR A 11 -22.410 27.884 -11.525 1.00 0.00 C ATOM 0 H THR A 11 -20.148 28.640 -13.495 1.00 0.00 H new ATOM 0 HA THR A 11 -22.659 27.294 -14.165 1.00 0.00 H new ATOM 0 HB THR A 11 -23.655 29.093 -12.769 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.452 30.815 -12.376 1.00 0.00 H new ATOM 0 HG21 THR A 11 -22.752 28.349 -10.601 1.00 0.00 H new ATOM 0 HG22 THR A 11 -22.990 26.980 -11.712 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.355 27.625 -11.432 1.00 0.00 H new ATOM 144 N SER A 12 -23.683 29.533 -15.299 1.00 0.00 N ATOM 145 CA SER A 12 -24.122 30.421 -16.361 1.00 0.00 C ATOM 146 C SER A 12 -23.490 31.824 -16.250 1.00 0.00 C ATOM 147 O SER A 12 -23.444 32.568 -17.230 1.00 0.00 O ATOM 148 CB SER A 12 -25.645 30.504 -16.359 1.00 0.00 C ATOM 149 OG SER A 12 -26.214 29.199 -16.442 1.00 0.00 O ATOM 0 H SER A 12 -24.436 29.208 -14.693 1.00 0.00 H new ATOM 0 HA SER A 12 -23.784 30.005 -17.310 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.987 31.000 -15.451 1.00 0.00 H new ATOM 0 HB3 SER A 12 -25.984 31.110 -17.200 1.00 0.00 H new ATOM 0 HG SER A 12 -27.192 29.268 -16.438 1.00 0.00 H new ATOM 155 N ALA A 13 -23.000 32.180 -15.058 1.00 0.00 N ATOM 156 CA ALA A 13 -22.339 33.458 -14.867 1.00 0.00 C ATOM 157 C ALA A 13 -21.004 33.469 -15.599 1.00 0.00 C ATOM 158 O ALA A 13 -20.707 34.387 -16.355 1.00 0.00 O ATOM 159 CB ALA A 13 -22.139 33.739 -13.384 1.00 0.00 C ATOM 0 H ALA A 13 -23.052 31.600 -14.221 1.00 0.00 H new ATOM 0 HA ALA A 13 -22.970 34.245 -15.280 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -21.642 34.701 -13.260 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.107 33.764 -12.884 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -21.524 32.954 -12.945 1.00 0.00 H new ATOM 165 N CYS A 14 -20.209 32.437 -15.372 1.00 0.00 N ATOM 166 CA CYS A 14 -18.915 32.309 -16.027 1.00 0.00 C ATOM 167 C CYS A 14 -19.080 31.930 -17.492 1.00 0.00 C ATOM 168 O CYS A 14 -18.320 32.373 -18.349 1.00 0.00 O ATOM 169 CB CYS A 14 -18.065 31.262 -15.333 1.00 0.00 C ATOM 170 SG CYS A 14 -16.438 31.033 -16.087 1.00 0.00 S ATOM 0 H CYS A 14 -20.437 31.672 -14.737 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.418 33.277 -15.964 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.935 31.546 -14.289 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.597 30.311 -15.341 1.00 0.00 H new ATOM 175 N ARG A 15 -20.085 31.109 -17.779 1.00 0.00 N ATOM 176 CA ARG A 15 -20.342 30.661 -19.150 1.00 0.00 C ATOM 177 C ARG A 15 -20.849 31.802 -20.030 1.00 0.00 C ATOM 178 O ARG A 15 -21.064 31.629 -21.227 1.00 0.00 O ATOM 179 CB ARG A 15 -21.318 29.479 -19.177 1.00 0.00 C ATOM 180 CG ARG A 15 -20.757 28.208 -18.556 1.00 0.00 C ATOM 181 CD ARG A 15 -21.688 27.019 -18.755 1.00 0.00 C ATOM 182 NE ARG A 15 -23.001 27.223 -18.133 1.00 0.00 N ATOM 183 CZ ARG A 15 -23.703 26.259 -17.524 1.00 0.00 C ATOM 184 NH1 ARG A 15 -23.216 25.020 -17.449 1.00 0.00 N ATOM 185 NH2 ARG A 15 -24.891 26.534 -16.990 1.00 0.00 N ATOM 0 H ARG A 15 -20.735 30.739 -17.085 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.390 30.323 -19.560 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -22.229 29.759 -18.649 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -21.599 29.275 -20.210 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.786 27.986 -18.998 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -20.593 28.366 -17.490 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -21.819 26.839 -19.822 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -21.226 26.126 -18.335 1.00 0.00 H new ATOM 0 HE ARG A 15 -23.405 28.159 -18.167 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -22.306 24.804 -17.856 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -23.753 24.288 -16.984 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -25.268 27.480 -17.044 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -25.424 25.798 -16.526 1.00 0.00 H new ATOM 199 N SER A 16 -21.041 32.961 -19.433 1.00 0.00 N ATOM 200 CA SER A 16 -21.443 34.127 -20.166 1.00 0.00 C ATOM 201 C SER A 16 -20.207 34.783 -20.770 1.00 0.00 C ATOM 202 O SER A 16 -19.075 34.488 -20.370 1.00 0.00 O ATOM 203 CB SER A 16 -22.165 35.106 -19.232 1.00 0.00 C ATOM 204 OG SER A 16 -22.620 36.261 -19.926 1.00 0.00 O ATOM 0 H SER A 16 -20.922 33.113 -18.431 1.00 0.00 H new ATOM 0 HA SER A 16 -22.128 33.844 -20.965 1.00 0.00 H new ATOM 0 HB2 SER A 16 -23.013 34.605 -18.766 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.491 35.406 -18.429 1.00 0.00 H new ATOM 0 HG SER A 16 -23.076 36.861 -19.299 1.00 0.00 H new ATOM 210 N GLU A 17 -20.414 35.654 -21.721 1.00 0.00 N ATOM 211 CA GLU A 17 -19.316 36.355 -22.346 1.00 0.00 C ATOM 212 C GLU A 17 -19.616 37.852 -22.436 1.00 0.00 C ATOM 213 O GLU A 17 -20.528 38.274 -23.155 1.00 0.00 O ATOM 214 CB GLU A 17 -18.994 35.756 -23.725 1.00 0.00 C ATOM 215 CG GLU A 17 -20.194 35.618 -24.643 1.00 0.00 C ATOM 216 CD GLU A 17 -19.845 34.961 -25.954 1.00 0.00 C ATOM 217 OE1 GLU A 17 -19.390 35.668 -26.873 1.00 0.00 O ATOM 218 OE2 GLU A 17 -20.034 33.735 -26.079 1.00 0.00 O ATOM 0 H GLU A 17 -21.336 35.898 -22.084 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.429 36.231 -21.725 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.247 36.382 -24.214 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.544 34.773 -23.585 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -20.966 35.034 -24.142 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.616 36.605 -24.836 1.00 0.00 H new ATOM 225 N PRO A 18 -18.879 38.679 -21.665 1.00 0.00 N ATOM 226 CA PRO A 18 -17.824 38.210 -20.748 1.00 0.00 C ATOM 227 C PRO A 18 -18.400 37.570 -19.480 1.00 0.00 C ATOM 228 O PRO A 18 -19.617 37.607 -19.249 1.00 0.00 O ATOM 229 CB PRO A 18 -17.079 39.496 -20.396 1.00 0.00 C ATOM 230 CG PRO A 18 -18.110 40.560 -20.506 1.00 0.00 C ATOM 231 CD PRO A 18 -19.019 40.145 -21.631 1.00 0.00 C ATOM 0 HA PRO A 18 -17.198 37.440 -21.200 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.660 39.451 -19.391 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.249 39.674 -21.079 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.665 40.662 -19.574 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.652 41.527 -20.712 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -20.050 40.445 -21.445 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -18.720 40.599 -22.576 1.00 0.00 H new ATOM 239 N CYS A 19 -17.526 36.994 -18.665 1.00 0.00 N ATOM 240 CA CYS A 19 -17.937 36.338 -17.429 1.00 0.00 C ATOM 241 C CYS A 19 -18.637 37.312 -16.498 1.00 0.00 C ATOM 242 O CYS A 19 -18.245 38.474 -16.382 1.00 0.00 O ATOM 243 CB CYS A 19 -16.738 35.714 -16.734 1.00 0.00 C ATOM 244 SG CYS A 19 -15.874 34.503 -17.745 1.00 0.00 S ATOM 0 H CYS A 19 -16.521 36.968 -18.839 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.643 35.549 -17.687 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.041 36.503 -16.451 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.070 35.236 -15.813 1.00 0.00 H new ATOM 249 N GLN A 20 -19.671 36.835 -15.846 1.00 0.00 N ATOM 250 CA GLN A 20 -20.477 37.655 -14.959 1.00 0.00 C ATOM 251 C GLN A 20 -20.349 37.188 -13.520 1.00 0.00 C ATOM 252 O GLN A 20 -21.205 37.471 -12.686 1.00 0.00 O ATOM 253 CB GLN A 20 -21.930 37.583 -15.387 1.00 0.00 C ATOM 254 CG GLN A 20 -22.167 37.994 -16.824 1.00 0.00 C ATOM 255 CD GLN A 20 -21.878 39.467 -17.075 1.00 0.00 C ATOM 256 OE1 GLN A 20 -22.751 40.313 -16.920 1.00 0.00 O ATOM 257 NE2 GLN A 20 -20.657 39.778 -17.466 1.00 0.00 N ATOM 0 H GLN A 20 -19.982 35.866 -15.913 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.121 38.683 -15.020 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.290 36.564 -15.247 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -22.523 38.223 -14.734 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.538 37.389 -17.478 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.202 37.782 -17.091 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -19.957 39.045 -17.584 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -20.413 40.751 -17.650 1.00 0.00 H new ATOM 266 N CYS A 21 -19.281 36.477 -13.236 1.00 0.00 N ATOM 267 CA CYS A 21 -19.038 35.973 -11.892 1.00 0.00 C ATOM 268 C CYS A 21 -18.787 37.102 -10.900 1.00 0.00 C ATOM 269 O CYS A 21 -19.143 36.999 -9.719 1.00 0.00 O ATOM 270 CB CYS A 21 -17.854 35.033 -11.883 1.00 0.00 C ATOM 271 SG CYS A 21 -18.252 33.357 -12.356 1.00 0.00 S ATOM 0 H CYS A 21 -18.562 36.231 -13.916 1.00 0.00 H new ATOM 0 HA CYS A 21 -19.937 35.438 -11.586 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.092 35.419 -12.560 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.418 35.024 -10.884 1.00 0.00 H new ATOM 276 N GLY A 22 -18.170 38.166 -11.376 1.00 0.00 N ATOM 277 CA GLY A 22 -17.854 39.278 -10.520 1.00 0.00 C ATOM 278 C GLY A 22 -16.613 39.009 -9.700 1.00 0.00 C ATOM 279 O GLY A 22 -15.522 38.863 -10.247 1.00 0.00 O ATOM 0 H GLY A 22 -17.881 38.278 -12.348 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.706 40.173 -11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.695 39.478 -9.855 1.00 0.00 H new ATOM 283 N SER A 23 -16.777 38.926 -8.397 1.00 0.00 N ATOM 284 CA SER A 23 -15.665 38.666 -7.507 1.00 0.00 C ATOM 285 C SER A 23 -16.004 37.507 -6.557 1.00 0.00 C ATOM 286 O SER A 23 -15.166 37.068 -5.764 1.00 0.00 O ATOM 287 CB SER A 23 -15.317 39.940 -6.720 1.00 0.00 C ATOM 288 OG SER A 23 -14.115 39.790 -5.977 1.00 0.00 O ATOM 0 H SER A 23 -17.676 39.036 -7.928 1.00 0.00 H new ATOM 0 HA SER A 23 -14.795 38.376 -8.096 1.00 0.00 H new ATOM 0 HB2 SER A 23 -15.215 40.777 -7.410 1.00 0.00 H new ATOM 0 HB3 SER A 23 -16.135 40.183 -6.042 1.00 0.00 H new ATOM 0 HG SER A 23 -13.444 39.336 -6.528 1.00 0.00 H new ATOM 294 N LYS A 24 -17.231 37.004 -6.657 1.00 0.00 N ATOM 295 CA LYS A 24 -17.663 35.896 -5.814 1.00 0.00 C ATOM 296 C LYS A 24 -17.320 34.580 -6.471 1.00 0.00 C ATOM 297 O LYS A 24 -16.874 33.641 -5.811 1.00 0.00 O ATOM 298 CB LYS A 24 -19.166 35.963 -5.552 1.00 0.00 C ATOM 299 CG LYS A 24 -19.596 37.125 -4.674 1.00 0.00 C ATOM 300 CD LYS A 24 -21.101 37.119 -4.448 1.00 0.00 C ATOM 301 CE LYS A 24 -21.866 37.397 -5.733 1.00 0.00 C ATOM 302 NZ LYS A 24 -23.331 37.345 -5.528 1.00 0.00 N ATOM 0 H LYS A 24 -17.938 37.344 -7.309 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.141 35.972 -4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.687 36.032 -6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -19.483 35.032 -5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -19.082 37.069 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.300 38.065 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -21.404 36.152 -4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -21.359 37.870 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -21.588 38.379 -6.115 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -21.580 36.667 -6.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -23.815 37.540 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -23.601 36.400 -5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -23.609 38.059 -4.824 1.00 0.00 H new ATOM 316 N CYS A 25 -17.527 34.531 -7.784 1.00 0.00 N ATOM 317 CA CYS A 25 -17.264 33.347 -8.591 1.00 0.00 C ATOM 318 C CYS A 25 -18.183 32.201 -8.264 1.00 0.00 C ATOM 319 O CYS A 25 -18.039 31.526 -7.244 1.00 0.00 O ATOM 320 CB CYS A 25 -15.812 32.911 -8.514 1.00 0.00 C ATOM 321 SG CYS A 25 -14.894 33.261 -10.013 1.00 0.00 S ATOM 0 H CYS A 25 -17.885 35.320 -8.321 1.00 0.00 H new ATOM 0 HA CYS A 25 -17.471 33.642 -9.620 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -15.332 33.414 -7.675 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -15.770 31.841 -8.311 1.00 0.00 H new ATOM 326 N GLN A 26 -19.131 31.987 -9.135 1.00 0.00 N ATOM 327 CA GLN A 26 -20.056 30.897 -8.985 1.00 0.00 C ATOM 328 C GLN A 26 -19.494 29.642 -9.642 1.00 0.00 C ATOM 329 O GLN A 26 -19.972 28.537 -9.401 1.00 0.00 O ATOM 330 CB GLN A 26 -21.404 31.270 -9.583 1.00 0.00 C ATOM 331 CG GLN A 26 -22.019 32.510 -8.960 1.00 0.00 C ATOM 332 CD GLN A 26 -23.331 32.895 -9.599 1.00 0.00 C ATOM 333 OE1 GLN A 26 -24.074 32.041 -10.086 1.00 0.00 O ATOM 334 NE2 GLN A 26 -23.625 34.177 -9.606 1.00 0.00 N ATOM 0 H GLN A 26 -19.284 32.560 -9.965 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.200 30.691 -7.924 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.285 31.432 -10.654 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.091 30.433 -9.461 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.175 32.337 -7.895 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -21.319 33.341 -9.048 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -22.981 34.850 -9.191 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.497 34.498 -10.026 1.00 0.00 H new ATOM 343 N CYS A 27 -18.468 29.820 -10.468 1.00 0.00 N ATOM 344 CA CYS A 27 -17.826 28.699 -11.123 1.00 0.00 C ATOM 345 C CYS A 27 -16.782 28.078 -10.201 1.00 0.00 C ATOM 346 O CYS A 27 -16.479 28.624 -9.133 1.00 0.00 O ATOM 347 CB CYS A 27 -17.188 29.122 -12.461 1.00 0.00 C ATOM 348 SG CYS A 27 -15.779 30.256 -12.339 1.00 0.00 S ATOM 0 H CYS A 27 -18.068 30.730 -10.696 1.00 0.00 H new ATOM 0 HA CYS A 27 -18.589 27.952 -11.343 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -16.863 28.224 -12.987 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -17.956 29.591 -13.076 1.00 0.00 H new ATOM 353 N GLY A 28 -16.254 26.938 -10.597 1.00 0.00 N ATOM 354 CA GLY A 28 -15.259 26.273 -9.794 1.00 0.00 C ATOM 355 C GLY A 28 -13.856 26.724 -10.130 1.00 0.00 C ATOM 356 O GLY A 28 -13.558 27.920 -10.126 1.00 0.00 O ATOM 0 H GLY A 28 -16.497 26.459 -11.464 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.458 26.466 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.337 25.196 -9.941 1.00 0.00 H new ATOM 360 N GLU A 29 -12.998 25.775 -10.418 1.00 0.00 N ATOM 361 CA GLU A 29 -11.626 26.065 -10.757 1.00 0.00 C ATOM 362 C GLU A 29 -11.171 25.205 -11.940 1.00 0.00 C ATOM 363 O GLU A 29 -10.485 24.193 -11.778 1.00 0.00 O ATOM 364 CB GLU A 29 -10.692 25.898 -9.523 1.00 0.00 C ATOM 365 CG GLU A 29 -10.679 24.500 -8.871 1.00 0.00 C ATOM 366 CD GLU A 29 -12.027 24.070 -8.318 1.00 0.00 C ATOM 367 OE1 GLU A 29 -12.358 24.443 -7.178 1.00 0.00 O ATOM 368 OE2 GLU A 29 -12.762 23.353 -9.030 1.00 0.00 O ATOM 0 H GLU A 29 -13.231 24.782 -10.424 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.561 27.109 -11.064 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.675 26.146 -9.826 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.986 26.627 -8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.349 23.768 -9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.946 24.492 -8.064 1.00 0.00 H new ATOM 375 N GLY A 30 -11.590 25.596 -13.125 1.00 0.00 N ATOM 376 CA GLY A 30 -11.228 24.861 -14.316 1.00 0.00 C ATOM 377 C GLY A 30 -11.655 25.579 -15.569 1.00 0.00 C ATOM 378 O GLY A 30 -12.182 24.974 -16.494 1.00 0.00 O ATOM 0 H GLY A 30 -12.178 26.413 -13.288 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.149 24.708 -14.335 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.689 23.874 -14.288 1.00 0.00 H new ATOM 382 N CYS A 31 -11.440 26.871 -15.597 1.00 0.00 N ATOM 383 CA CYS A 31 -11.829 27.678 -16.742 1.00 0.00 C ATOM 384 C CYS A 31 -10.684 28.573 -17.199 1.00 0.00 C ATOM 385 O CYS A 31 -10.589 28.918 -18.381 1.00 0.00 O ATOM 386 CB CYS A 31 -13.031 28.521 -16.378 1.00 0.00 C ATOM 387 SG CYS A 31 -12.784 29.474 -14.875 1.00 0.00 S ATOM 0 H CYS A 31 -10.997 27.393 -14.841 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.083 27.011 -17.566 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.255 29.200 -17.201 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.899 27.873 -16.254 1.00 0.00 H new ATOM 392 N THR A 32 -9.819 28.942 -16.248 1.00 0.00 N ATOM 393 CA THR A 32 -8.650 29.790 -16.503 1.00 0.00 C ATOM 394 C THR A 32 -8.998 31.062 -17.284 1.00 0.00 C ATOM 395 O THR A 32 -8.310 31.436 -18.236 1.00 0.00 O ATOM 396 CB THR A 32 -7.505 29.012 -17.203 1.00 0.00 C ATOM 397 OG1 THR A 32 -7.998 28.292 -18.348 1.00 0.00 O ATOM 398 CG2 THR A 32 -6.868 28.037 -16.231 1.00 0.00 C ATOM 0 H THR A 32 -9.911 28.658 -15.273 1.00 0.00 H new ATOM 0 HA THR A 32 -8.293 30.102 -15.521 1.00 0.00 H new ATOM 0 HB THR A 32 -6.761 29.735 -17.537 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.811 28.725 -18.681 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.065 27.496 -16.732 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.461 28.584 -15.381 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.619 27.329 -15.881 1.00 0.00 H new ATOM 406 N CYS A 33 -10.068 31.721 -16.866 1.00 0.00 N ATOM 407 CA CYS A 33 -10.493 32.963 -17.486 1.00 0.00 C ATOM 408 C CYS A 33 -9.570 34.115 -17.069 1.00 0.00 C ATOM 409 O CYS A 33 -8.726 33.959 -16.188 1.00 0.00 O ATOM 410 CB CYS A 33 -11.937 33.280 -17.088 1.00 0.00 C ATOM 411 SG CYS A 33 -13.112 31.956 -17.452 1.00 0.00 S ATOM 0 H CYS A 33 -10.660 31.412 -16.095 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.438 32.847 -18.568 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -11.969 33.496 -16.020 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.255 34.185 -17.606 1.00 0.00 H new ATOM 416 N ALA A 34 -9.730 35.257 -17.701 1.00 0.00 N ATOM 417 CA ALA A 34 -8.939 36.431 -17.364 1.00 0.00 C ATOM 418 C ALA A 34 -9.812 37.469 -16.677 1.00 0.00 C ATOM 419 O ALA A 34 -9.360 38.565 -16.344 1.00 0.00 O ATOM 420 CB ALA A 34 -8.294 37.014 -18.612 1.00 0.00 C ATOM 0 H ALA A 34 -10.402 35.403 -18.454 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.146 36.135 -16.678 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.706 37.891 -18.342 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.643 36.268 -19.068 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.070 37.301 -19.322 1.00 0.00 H new ATOM 426 N ALA A 35 -11.065 37.103 -16.450 1.00 0.00 N ATOM 427 CA ALA A 35 -12.021 37.995 -15.822 1.00 0.00 C ATOM 428 C ALA A 35 -12.257 37.587 -14.384 1.00 0.00 C ATOM 429 O ALA A 35 -11.840 38.274 -13.457 1.00 0.00 O ATOM 430 CB ALA A 35 -13.336 38.000 -16.597 1.00 0.00 C ATOM 0 H ALA A 35 -11.443 36.187 -16.694 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.610 39.005 -15.833 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.042 38.674 -16.112 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.155 38.337 -17.618 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.751 36.992 -16.615 1.00 0.00 H new ATOM 436 N CYS A 36 -12.903 36.450 -14.203 1.00 0.00 N ATOM 437 CA CYS A 36 -13.200 35.950 -12.878 1.00 0.00 C ATOM 438 C CYS A 36 -12.058 35.083 -12.347 1.00 0.00 C ATOM 439 O CYS A 36 -12.125 34.560 -11.236 1.00 0.00 O ATOM 440 CB CYS A 36 -14.497 35.154 -12.906 1.00 0.00 C ATOM 441 SG CYS A 36 -14.491 33.766 -14.065 1.00 0.00 S ATOM 0 H CYS A 36 -13.233 35.854 -14.963 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.314 36.801 -12.207 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -14.699 34.775 -11.904 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -15.316 35.825 -13.164 1.00 0.00 H new ATOM 446 N LYS A 37 -11.006 34.928 -13.144 1.00 0.00 N ATOM 447 CA LYS A 37 -9.872 34.110 -12.737 1.00 0.00 C ATOM 448 C LYS A 37 -8.601 34.912 -12.699 1.00 0.00 C ATOM 449 O LYS A 37 -7.523 34.425 -13.031 1.00 0.00 O ATOM 450 CB LYS A 37 -9.720 32.880 -13.626 1.00 0.00 C ATOM 451 CG LYS A 37 -10.869 31.910 -13.504 1.00 0.00 C ATOM 452 CD LYS A 37 -10.938 31.313 -12.111 1.00 0.00 C ATOM 453 CE LYS A 37 -12.292 30.705 -11.847 1.00 0.00 C ATOM 454 NZ LYS A 37 -13.372 31.703 -12.016 1.00 0.00 N ATOM 0 H LYS A 37 -10.916 35.354 -14.066 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.073 33.761 -11.724 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.632 33.199 -14.664 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.792 32.368 -13.370 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.805 32.421 -13.730 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.755 31.113 -14.239 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.166 30.551 -12.000 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.732 32.086 -11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.457 29.869 -12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.321 30.302 -10.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.294 31.223 -11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.326 32.398 -11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.255 32.190 -12.928 1.00 0.00 H new ATOM 468 N THR A 38 -8.730 36.127 -12.269 1.00 0.00 N ATOM 469 CA THR A 38 -7.604 36.996 -12.115 1.00 0.00 C ATOM 470 C THR A 38 -7.419 37.291 -10.634 1.00 0.00 C ATOM 471 O THR A 38 -8.311 37.013 -9.828 1.00 0.00 O ATOM 472 CB THR A 38 -7.784 38.316 -12.913 1.00 0.00 C ATOM 473 OG1 THR A 38 -6.558 39.059 -12.917 1.00 0.00 O ATOM 474 CG2 THR A 38 -8.896 39.173 -12.316 1.00 0.00 C ATOM 0 H THR A 38 -9.623 36.547 -12.013 1.00 0.00 H new ATOM 0 HA THR A 38 -6.718 36.501 -12.514 1.00 0.00 H new ATOM 0 HB THR A 38 -8.058 38.055 -13.935 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.680 39.889 -13.424 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.999 40.091 -12.895 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.835 38.620 -12.342 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.649 39.421 -11.284 1.00 0.00 H new ATOM 482 N CYS A 39 -6.283 37.822 -10.265 1.00 0.00 N ATOM 483 CA CYS A 39 -6.033 38.131 -8.882 1.00 0.00 C ATOM 484 C CYS A 39 -6.191 39.619 -8.649 1.00 0.00 C ATOM 485 O CYS A 39 -5.726 40.435 -9.451 1.00 0.00 O ATOM 486 CB CYS A 39 -4.644 37.662 -8.464 1.00 0.00 C ATOM 487 SG CYS A 39 -4.340 37.738 -6.685 1.00 0.00 S ATOM 0 H CYS A 39 -5.518 38.049 -10.901 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.762 37.601 -8.268 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.503 36.635 -8.802 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.898 38.271 -8.975 1.00 0.00 H new ATOM 492 N ASN A 40 -6.851 39.973 -7.564 1.00 0.00 N ATOM 493 CA ASN A 40 -7.087 41.372 -7.243 1.00 0.00 C ATOM 494 C ASN A 40 -5.932 41.944 -6.456 1.00 0.00 C ATOM 495 O ASN A 40 -5.891 43.138 -6.168 1.00 0.00 O ATOM 496 CB ASN A 40 -8.398 41.542 -6.476 1.00 0.00 C ATOM 497 CG ASN A 40 -9.616 41.423 -7.374 1.00 0.00 C ATOM 498 OD1 ASN A 40 -10.105 42.418 -7.906 1.00 0.00 O ATOM 499 ND2 ASN A 40 -10.100 40.212 -7.562 1.00 0.00 N ATOM 0 H ASN A 40 -7.235 39.313 -6.888 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.168 41.923 -8.180 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.455 40.789 -5.690 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.405 42.516 -5.986 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.909 40.075 -8.167 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.665 39.412 -7.102 1.00 0.00 H new ATOM 506 N CYS A 41 -4.996 41.090 -6.110 1.00 0.00 N ATOM 507 CA CYS A 41 -3.829 41.506 -5.392 1.00 0.00 C ATOM 508 C CYS A 41 -2.829 42.121 -6.337 1.00 0.00 C ATOM 509 O CYS A 41 -2.584 41.601 -7.428 1.00 0.00 O ATOM 510 CB CYS A 41 -3.218 40.331 -4.664 1.00 0.00 C ATOM 511 SG CYS A 41 -4.349 39.552 -3.511 1.00 0.00 S ATOM 0 H CYS A 41 -5.028 40.093 -6.321 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.117 42.257 -4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.886 39.592 -5.393 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.332 40.666 -4.124 1.00 0.00 H new ATOM 516 N THR A 42 -2.261 43.219 -5.927 1.00 0.00 N ATOM 517 CA THR A 42 -1.321 43.922 -6.744 1.00 0.00 C ATOM 518 C THR A 42 0.090 43.469 -6.436 1.00 0.00 C ATOM 519 O THR A 42 0.376 43.025 -5.326 1.00 0.00 O ATOM 520 CB THR A 42 -1.441 45.437 -6.518 1.00 0.00 C ATOM 521 OG1 THR A 42 -1.256 45.738 -5.123 1.00 0.00 O ATOM 522 CG2 THR A 42 -2.810 45.928 -6.956 1.00 0.00 C ATOM 0 H THR A 42 -2.438 43.649 -5.019 1.00 0.00 H new ATOM 0 HA THR A 42 -1.544 43.701 -7.788 1.00 0.00 H new ATOM 0 HB THR A 42 -0.674 45.938 -7.108 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.055 44.913 -4.634 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.881 47.003 -6.790 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.951 45.714 -8.015 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.581 45.420 -6.377 1.00 0.00 H new ATOM 530 N SER A 43 0.967 43.579 -7.410 1.00 0.00 N ATOM 531 CA SER A 43 2.358 43.210 -7.241 1.00 0.00 C ATOM 532 C SER A 43 3.053 44.148 -6.248 1.00 0.00 C ATOM 533 O SER A 43 4.153 43.872 -5.774 1.00 0.00 O ATOM 534 CB SER A 43 3.058 43.232 -8.593 1.00 0.00 C ATOM 535 OG SER A 43 2.408 42.354 -9.502 1.00 0.00 O ATOM 0 H SER A 43 0.737 43.926 -8.341 1.00 0.00 H new ATOM 0 HA SER A 43 2.412 42.201 -6.833 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.057 44.246 -8.993 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.101 42.937 -8.475 1.00 0.00 H new ATOM 0 HG SER A 43 1.888 41.691 -9.001 1.00 0.00 H new ATOM 541 N ASP A 44 2.390 45.249 -5.936 1.00 0.00 N ATOM 542 CA ASP A 44 2.910 46.232 -4.998 1.00 0.00 C ATOM 543 C ASP A 44 2.545 45.847 -3.579 1.00 0.00 C ATOM 544 O ASP A 44 3.163 46.304 -2.620 1.00 0.00 O ATOM 545 CB ASP A 44 2.332 47.609 -5.307 1.00 0.00 C ATOM 546 CG ASP A 44 2.345 47.924 -6.777 1.00 0.00 C ATOM 547 OD1 ASP A 44 3.339 48.501 -7.261 1.00 0.00 O ATOM 548 OD2 ASP A 44 1.353 47.592 -7.462 1.00 0.00 O ATOM 0 H ASP A 44 1.478 45.487 -6.325 1.00 0.00 H new ATOM 0 HA ASP A 44 3.995 46.262 -5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.308 47.661 -4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.903 48.367 -4.771 1.00 0.00 H new ATOM 553 N GLY A 45 1.539 45.001 -3.453 1.00 0.00 N ATOM 554 CA GLY A 45 1.083 44.581 -2.155 1.00 0.00 C ATOM 555 C GLY A 45 -0.102 43.649 -2.245 1.00 0.00 C ATOM 556 O GLY A 45 -1.037 43.892 -3.023 1.00 0.00 O ATOM 0 H GLY A 45 1.027 44.596 -4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.897 44.082 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.811 45.457 -1.565 1.00 0.00 H new ATOM 560 N CYS A 46 -0.057 42.577 -1.477 1.00 0.00 N ATOM 561 CA CYS A 46 -1.125 41.601 -1.453 1.00 0.00 C ATOM 562 C CYS A 46 -2.367 42.200 -0.809 1.00 0.00 C ATOM 563 O CYS A 46 -2.267 42.970 0.150 1.00 0.00 O ATOM 564 CB CYS A 46 -0.678 40.356 -0.691 1.00 0.00 C ATOM 565 SG CYS A 46 -1.810 38.961 -0.827 1.00 0.00 S ATOM 0 H CYS A 46 0.721 42.360 -0.854 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.368 41.316 -2.477 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.302 40.051 -1.058 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.559 40.611 0.362 1.00 0.00 H new ATOM 570 N LYS A 47 -3.533 41.860 -1.332 1.00 0.00 N ATOM 571 CA LYS A 47 -4.767 42.429 -0.822 1.00 0.00 C ATOM 572 C LYS A 47 -5.639 41.394 -0.116 1.00 0.00 C ATOM 573 O LYS A 47 -6.624 41.750 0.528 1.00 0.00 O ATOM 574 CB LYS A 47 -5.542 43.130 -1.941 1.00 0.00 C ATOM 575 CG LYS A 47 -4.750 44.247 -2.614 1.00 0.00 C ATOM 576 CD LYS A 47 -5.589 45.022 -3.618 1.00 0.00 C ATOM 577 CE LYS A 47 -6.671 45.842 -2.933 1.00 0.00 C ATOM 578 NZ LYS A 47 -7.434 46.670 -3.898 1.00 0.00 N ATOM 0 H LYS A 47 -3.650 41.200 -2.101 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.492 43.170 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.828 42.394 -2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.464 43.543 -1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.372 44.931 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.883 43.822 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.944 45.682 -4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.049 44.327 -4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.354 45.174 -2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.216 46.487 -2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.161 47.213 -3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.787 47.325 -4.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.890 46.053 -4.600 1.00 0.00 H new ATOM 592 N CYS A 48 -5.292 40.121 -0.235 1.00 0.00 N ATOM 593 CA CYS A 48 -6.046 39.089 0.465 1.00 0.00 C ATOM 594 C CYS A 48 -5.264 38.610 1.687 1.00 0.00 C ATOM 595 O CYS A 48 -5.838 38.371 2.751 1.00 0.00 O ATOM 596 CB CYS A 48 -6.383 37.913 -0.461 1.00 0.00 C ATOM 597 SG CYS A 48 -4.997 36.823 -0.819 1.00 0.00 S ATOM 0 H CYS A 48 -4.511 39.781 -0.796 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.990 39.522 0.796 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -7.182 37.327 -0.007 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.771 38.307 -1.400 1.00 0.00 H new ATOM 602 N GLY A 49 -3.948 38.482 1.531 1.00 0.00 N ATOM 603 CA GLY A 49 -3.107 38.080 2.636 1.00 0.00 C ATOM 604 C GLY A 49 -2.291 36.830 2.351 1.00 0.00 C ATOM 605 O GLY A 49 -1.501 36.399 3.188 1.00 0.00 O ATOM 0 H GLY A 49 -3.453 38.651 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.430 38.898 2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.731 37.905 3.513 1.00 0.00 H new ATOM 609 N LYS A 50 -2.464 36.252 1.174 1.00 0.00 N ATOM 610 CA LYS A 50 -1.740 35.029 0.815 1.00 0.00 C ATOM 611 C LYS A 50 -0.358 35.341 0.259 1.00 0.00 C ATOM 612 O LYS A 50 0.416 34.430 -0.043 1.00 0.00 O ATOM 613 CB LYS A 50 -2.525 34.230 -0.211 1.00 0.00 C ATOM 614 CG LYS A 50 -3.933 33.895 0.219 1.00 0.00 C ATOM 615 CD LYS A 50 -3.963 32.972 1.413 1.00 0.00 C ATOM 616 CE LYS A 50 -5.385 32.566 1.731 1.00 0.00 C ATOM 617 NZ LYS A 50 -6.051 31.957 0.552 1.00 0.00 N ATOM 0 H LYS A 50 -3.093 36.601 0.451 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.623 34.442 1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.565 34.794 -1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.990 33.304 -0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.465 34.815 0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.463 33.428 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.362 32.086 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.518 33.468 2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.386 31.856 2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.949 33.439 2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.696 31.204 0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.592 32.686 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.333 31.554 -0.083 1.00 0.00 H new ATOM 631 N GLU A 51 -0.068 36.634 0.109 1.00 0.00 N ATOM 632 CA GLU A 51 1.219 37.112 -0.412 1.00 0.00 C ATOM 633 C GLU A 51 1.365 36.738 -1.893 1.00 0.00 C ATOM 634 O GLU A 51 2.468 36.719 -2.439 1.00 0.00 O ATOM 635 CB GLU A 51 2.386 36.528 0.400 1.00 0.00 C ATOM 636 CG GLU A 51 3.645 37.372 0.368 1.00 0.00 C ATOM 637 CD GLU A 51 3.544 38.585 1.256 1.00 0.00 C ATOM 638 OE1 GLU A 51 3.712 38.437 2.483 1.00 0.00 O ATOM 639 OE2 GLU A 51 3.308 39.691 0.742 1.00 0.00 O ATOM 0 H GLU A 51 -0.719 37.383 0.345 1.00 0.00 H new ATOM 0 HA GLU A 51 1.244 38.198 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.069 36.406 1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.618 35.534 0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.494 36.765 0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.841 37.690 -0.656 1.00 0.00 H new ATOM 646 N CYS A 52 0.246 36.452 -2.534 1.00 0.00 N ATOM 647 CA CYS A 52 0.239 36.073 -3.932 1.00 0.00 C ATOM 648 C CYS A 52 0.615 37.256 -4.826 1.00 0.00 C ATOM 649 O CYS A 52 1.412 37.114 -5.753 1.00 0.00 O ATOM 650 CB CYS A 52 -1.123 35.500 -4.300 1.00 0.00 C ATOM 651 SG CYS A 52 -2.510 36.295 -3.468 1.00 0.00 S ATOM 0 H CYS A 52 -0.678 36.476 -2.102 1.00 0.00 H new ATOM 0 HA CYS A 52 0.992 35.302 -4.095 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.262 35.587 -5.378 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.133 34.436 -4.063 1.00 0.00 H new ATOM 656 N THR A 53 0.037 38.420 -4.527 1.00 0.00 N ATOM 657 CA THR A 53 0.338 39.691 -5.224 1.00 0.00 C ATOM 658 C THR A 53 0.189 39.608 -6.754 1.00 0.00 C ATOM 659 O THR A 53 0.831 40.365 -7.489 1.00 0.00 O ATOM 660 CB THR A 53 1.755 40.230 -4.864 1.00 0.00 C ATOM 661 OG1 THR A 53 2.779 39.284 -5.218 1.00 0.00 O ATOM 662 CG2 THR A 53 1.848 40.534 -3.383 1.00 0.00 C ATOM 0 H THR A 53 -0.661 38.518 -3.789 1.00 0.00 H new ATOM 0 HA THR A 53 -0.415 40.391 -4.863 1.00 0.00 H new ATOM 0 HB THR A 53 1.910 41.146 -5.435 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.395 38.584 -5.786 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.845 40.909 -3.150 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.106 41.287 -3.119 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.661 39.624 -2.812 1.00 0.00 H new ATOM 670 N GLY A 54 -0.668 38.725 -7.223 1.00 0.00 N ATOM 671 CA GLY A 54 -0.868 38.596 -8.646 1.00 0.00 C ATOM 672 C GLY A 54 -1.108 37.166 -9.059 1.00 0.00 C ATOM 673 O GLY A 54 -0.731 36.248 -8.335 1.00 0.00 O ATOM 0 H GLY A 54 -1.228 38.096 -6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.718 39.208 -8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.006 38.982 -9.171 1.00 0.00 H new ATOM 677 N PRO A 55 -1.730 36.943 -10.235 1.00 0.00 N ATOM 678 CA PRO A 55 -2.051 35.594 -10.734 1.00 0.00 C ATOM 679 C PRO A 55 -0.814 34.704 -10.897 1.00 0.00 C ATOM 680 O PRO A 55 -0.910 33.480 -10.818 1.00 0.00 O ATOM 681 CB PRO A 55 -2.708 35.857 -12.099 1.00 0.00 C ATOM 682 CG PRO A 55 -2.297 37.242 -12.465 1.00 0.00 C ATOM 683 CD PRO A 55 -2.170 37.988 -11.174 1.00 0.00 C ATOM 0 HA PRO A 55 -2.689 35.054 -10.034 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.372 35.136 -12.844 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.793 35.770 -12.038 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.352 37.238 -13.008 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.036 37.710 -13.115 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.445 38.799 -11.245 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.117 38.433 -10.869 1.00 0.00 H new ATOM 691 N ASP A 56 0.341 35.324 -11.116 1.00 0.00 N ATOM 692 CA ASP A 56 1.596 34.588 -11.276 1.00 0.00 C ATOM 693 C ASP A 56 1.923 33.771 -10.038 1.00 0.00 C ATOM 694 O ASP A 56 2.206 32.581 -10.126 1.00 0.00 O ATOM 695 CB ASP A 56 2.755 35.543 -11.572 1.00 0.00 C ATOM 696 CG ASP A 56 4.108 34.854 -11.513 1.00 0.00 C ATOM 697 OD1 ASP A 56 4.539 34.292 -12.540 1.00 0.00 O ATOM 698 OD2 ASP A 56 4.749 34.873 -10.438 1.00 0.00 O ATOM 0 H ASP A 56 0.437 36.337 -11.187 1.00 0.00 H new ATOM 0 HA ASP A 56 1.463 33.909 -12.119 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.617 35.981 -12.561 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.737 36.364 -10.855 1.00 0.00 H new ATOM 703 N SER A 57 1.874 34.410 -8.888 1.00 0.00 N ATOM 704 CA SER A 57 2.222 33.753 -7.646 1.00 0.00 C ATOM 705 C SER A 57 0.978 33.472 -6.800 1.00 0.00 C ATOM 706 O SER A 57 1.075 33.235 -5.591 1.00 0.00 O ATOM 707 CB SER A 57 3.204 34.624 -6.866 1.00 0.00 C ATOM 708 OG SER A 57 4.291 35.030 -7.692 1.00 0.00 O ATOM 0 H SER A 57 1.596 35.386 -8.788 1.00 0.00 H new ATOM 0 HA SER A 57 2.689 32.796 -7.880 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.688 35.503 -6.479 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.582 34.072 -6.006 1.00 0.00 H new ATOM 0 HG SER A 57 4.161 34.681 -8.598 1.00 0.00 H new ATOM 714 N CYS A 58 -0.185 33.477 -7.433 1.00 0.00 N ATOM 715 CA CYS A 58 -1.423 33.259 -6.715 1.00 0.00 C ATOM 716 C CYS A 58 -1.718 31.786 -6.554 1.00 0.00 C ATOM 717 O CYS A 58 -1.581 31.000 -7.496 1.00 0.00 O ATOM 718 CB CYS A 58 -2.595 33.959 -7.391 1.00 0.00 C ATOM 719 SG CYS A 58 -4.127 33.897 -6.431 1.00 0.00 S ATOM 0 H CYS A 58 -0.294 33.629 -8.436 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.293 33.693 -5.724 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.330 35.001 -7.571 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.768 33.502 -8.365 1.00 0.00 H new ATOM 724 N LYS A 59 -2.124 31.417 -5.355 1.00 0.00 N ATOM 725 CA LYS A 59 -2.453 30.044 -5.048 1.00 0.00 C ATOM 726 C LYS A 59 -3.886 29.948 -4.546 1.00 0.00 C ATOM 727 O LYS A 59 -4.302 28.924 -4.003 1.00 0.00 O ATOM 728 CB LYS A 59 -1.476 29.477 -4.009 1.00 0.00 C ATOM 729 CG LYS A 59 -0.020 29.484 -4.466 1.00 0.00 C ATOM 730 CD LYS A 59 0.175 28.647 -5.725 1.00 0.00 C ATOM 731 CE LYS A 59 1.608 28.715 -6.229 1.00 0.00 C ATOM 732 NZ LYS A 59 2.575 28.178 -5.242 1.00 0.00 N ATOM 0 H LYS A 59 -2.234 32.060 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.364 29.451 -5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.561 30.056 -3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.767 28.454 -3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.298 30.509 -4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.614 29.097 -3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.089 27.610 -5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.502 28.998 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.691 28.153 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.862 29.750 -6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.514 28.102 -5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.627 28.817 -4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.263 27.237 -4.927 1.00 0.00 H new ATOM 746 N CYS A 60 -4.641 31.015 -4.728 1.00 0.00 N ATOM 747 CA CYS A 60 -6.025 31.029 -4.321 1.00 0.00 C ATOM 748 C CYS A 60 -6.905 30.776 -5.531 1.00 0.00 C ATOM 749 O CYS A 60 -6.949 31.581 -6.468 1.00 0.00 O ATOM 750 CB CYS A 60 -6.384 32.358 -3.697 1.00 0.00 C ATOM 751 SG CYS A 60 -5.090 33.059 -2.638 1.00 0.00 S ATOM 0 H CYS A 60 -4.315 31.882 -5.156 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.183 30.247 -3.579 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.612 33.069 -4.491 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.293 32.236 -3.108 1.00 0.00 H new ATOM 756 N GLY A 61 -7.615 29.690 -5.491 1.00 0.00 N ATOM 757 CA GLY A 61 -8.428 29.278 -6.614 1.00 0.00 C ATOM 758 C GLY A 61 -9.890 29.494 -6.356 1.00 0.00 C ATOM 759 O GLY A 61 -10.572 28.606 -5.838 1.00 0.00 O ATOM 0 H GLY A 61 -7.653 29.062 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.130 29.836 -7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.248 28.224 -6.825 1.00 0.00 H new ATOM 763 N SER A 62 -10.366 30.685 -6.709 1.00 0.00 N ATOM 764 CA SER A 62 -11.760 31.078 -6.516 1.00 0.00 C ATOM 765 C SER A 62 -12.111 31.181 -5.021 1.00 0.00 C ATOM 766 O SER A 62 -11.348 30.741 -4.160 1.00 0.00 O ATOM 767 CB SER A 62 -12.705 30.106 -7.242 1.00 0.00 C ATOM 768 OG SER A 62 -12.392 30.037 -8.626 1.00 0.00 O ATOM 0 H SER A 62 -9.792 31.410 -7.140 1.00 0.00 H new ATOM 0 HA SER A 62 -11.892 32.068 -6.952 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.626 29.114 -6.797 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.737 30.432 -7.114 1.00 0.00 H new ATOM 0 HG SER A 62 -12.863 29.279 -9.030 1.00 0.00 H new ATOM 774 N SER A 63 -13.240 31.828 -4.731 1.00 0.00 N ATOM 775 CA SER A 63 -13.768 31.963 -3.361 1.00 0.00 C ATOM 776 C SER A 63 -12.926 32.882 -2.444 1.00 0.00 C ATOM 777 O SER A 63 -13.400 33.283 -1.385 1.00 0.00 O ATOM 778 CB SER A 63 -13.944 30.585 -2.708 1.00 0.00 C ATOM 779 OG SER A 63 -14.760 29.744 -3.506 1.00 0.00 O ATOM 0 H SER A 63 -13.821 32.277 -5.439 1.00 0.00 H new ATOM 0 HA SER A 63 -14.737 32.450 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.969 30.120 -2.563 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.391 30.701 -1.721 1.00 0.00 H new ATOM 0 HG SER A 63 -14.856 28.872 -3.070 1.00 0.00 H new ATOM 785 N CYS A 64 -11.696 33.223 -2.836 1.00 0.00 N ATOM 786 CA CYS A 64 -10.864 34.053 -1.975 1.00 0.00 C ATOM 787 C CYS A 64 -11.144 35.537 -2.211 1.00 0.00 C ATOM 788 O CYS A 64 -11.757 35.912 -3.214 1.00 0.00 O ATOM 789 CB CYS A 64 -9.383 33.740 -2.182 1.00 0.00 C ATOM 790 SG CYS A 64 -8.286 34.497 -0.955 1.00 0.00 S ATOM 0 H CYS A 64 -11.267 32.945 -3.719 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.117 33.822 -0.940 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -9.245 32.659 -2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.087 34.078 -3.175 1.00 0.00 H new ATOM 795 N SER A 65 -10.678 36.376 -1.290 1.00 0.00 N ATOM 796 CA SER A 65 -10.897 37.818 -1.360 1.00 0.00 C ATOM 797 C SER A 65 -10.215 38.436 -2.582 1.00 0.00 C ATOM 798 O SER A 65 -10.604 39.510 -3.041 1.00 0.00 O ATOM 799 CB SER A 65 -10.392 38.482 -0.082 1.00 0.00 C ATOM 800 OG SER A 65 -10.964 37.869 1.061 1.00 0.00 O ATOM 0 H SER A 65 -10.140 36.077 -0.477 1.00 0.00 H new ATOM 0 HA SER A 65 -11.969 37.990 -1.460 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.305 38.410 -0.034 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.641 39.543 -0.095 1.00 0.00 H new ATOM 0 HG SER A 65 -10.627 38.307 1.870 1.00 0.00 H new ATOM 806 N CYS A 66 -9.199 37.762 -3.106 1.00 0.00 N ATOM 807 CA CYS A 66 -8.504 38.255 -4.280 1.00 0.00 C ATOM 808 C CYS A 66 -9.145 37.719 -5.553 1.00 0.00 C ATOM 809 O CYS A 66 -8.655 37.962 -6.652 1.00 0.00 O ATOM 810 CB CYS A 66 -7.025 37.875 -4.236 1.00 0.00 C ATOM 811 SG CYS A 66 -6.709 36.099 -4.177 1.00 0.00 S ATOM 0 H CYS A 66 -8.843 36.880 -2.738 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.583 39.342 -4.282 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.530 38.290 -5.114 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.569 38.341 -3.363 1.00 0.00 H new ATOM 816 N LYS A 67 -10.241 36.993 -5.398 1.00 0.00 N ATOM 817 CA LYS A 67 -10.952 36.417 -6.536 1.00 0.00 C ATOM 818 C LYS A 67 -12.245 37.182 -6.800 1.00 0.00 C ATOM 819 O LYS A 67 -12.159 38.346 -7.263 1.00 0.00 O ATOM 820 CB LYS A 67 -11.272 34.941 -6.269 1.00 0.00 C ATOM 821 CG LYS A 67 -10.051 34.042 -6.068 1.00 0.00 C ATOM 822 CD LYS A 67 -9.251 33.877 -7.354 1.00 0.00 C ATOM 823 CE LYS A 67 -8.053 34.804 -7.388 1.00 0.00 C ATOM 824 NZ LYS A 67 -6.985 34.368 -6.458 1.00 0.00 N ATOM 0 H LYS A 67 -10.662 36.786 -4.492 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.311 36.492 -7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.902 34.876 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.856 34.554 -7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.411 34.466 -5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.375 33.063 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.915 32.844 -7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.893 34.080 -8.211 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.656 34.845 -8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.369 35.814 -7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.060 34.671 -6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.144 34.794 -5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.001 33.332 -6.373 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 ZN ZN A 101 -15.330 29.524 -14.537 1.00 0.00 ZN HETATM 840 ZN ZN A 102 -15.064 32.836 -16.293 1.00 0.00 ZN HETATM 841 ZN ZN A 103 -15.915 32.662 -12.207 1.00 0.00 ZN HETATM 842 ZN ZN A 104 -4.442 36.037 -5.202 1.00 0.00 ZN HETATM 843 ZN ZN A 105 -6.288 35.146 -2.186 1.00 0.00 ZN HETATM 844 ZN ZN A 106 -3.452 37.915 -2.157 1.00 0.00 ZN