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 Single : A 1 GLY N :NH3+ 180:sc= -0.184 (180deg=-0.184) USER MOD Single : A 2 SER OG : rot 180:sc= 0.217 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -129:sc= 1.07 (180deg=-2.51!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -141:sc= 0.682 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -81:sc= -0.0418 USER MOD Single : A 20 GLN : amide:sc= -0.836 K(o=-0.84,f=-5.4!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 168:sc= -0.015 (180deg=-0.164) USER MOD Single : A 26 GLN : amide:sc= -0.0148 K(o=-0.015,f=-1) USER MOD Single : A 32 THR OG1 : rot -33:sc= 1.01 USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 1.25 (180deg=0.94) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.054 USER MOD Single : A 40 ASN : amide:sc= 0.306 X(o=0.31,f=-0.016) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= -1.58! (180deg=-2.27!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 49:sc= 0.3 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -48:sc= 0.385 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= -2.22! (180deg=-2.52!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.467 -6.272 0.642 1.00 0.00 N ATOM 2 CA GLY A 1 4.633 -5.050 -0.193 1.00 0.00 C ATOM 3 C GLY A 1 5.247 -5.356 -1.544 1.00 0.00 C ATOM 4 O GLY A 1 5.395 -4.468 -2.389 1.00 0.00 O ATOM 0 H1 GLY A 1 4.044 -6.013 1.556 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.845 -6.946 0.151 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.396 -6.711 0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.662 -4.576 -0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.262 -4.334 0.336 1.00 0.00 H new ATOM 7 N SER A 2 5.600 -6.610 -1.751 1.00 0.00 N ATOM 8 CA SER A 2 6.191 -7.036 -2.997 1.00 0.00 C ATOM 9 C SER A 2 5.461 -8.274 -3.521 1.00 0.00 C ATOM 10 O SER A 2 4.415 -8.662 -2.991 1.00 0.00 O ATOM 11 CB SER A 2 7.689 -7.322 -2.800 1.00 0.00 C ATOM 12 OG SER A 2 8.341 -7.545 -4.045 1.00 0.00 O ATOM 0 H SER A 2 5.485 -7.355 -1.063 1.00 0.00 H new ATOM 0 HA SER A 2 6.092 -6.240 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.157 -6.482 -2.287 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.814 -8.196 -2.160 1.00 0.00 H new ATOM 0 HG SER A 2 9.292 -7.723 -3.889 1.00 0.00 H new ATOM 18 N GLY A 3 6.006 -8.887 -4.550 1.00 0.00 N ATOM 19 CA GLY A 3 5.387 -10.053 -5.134 1.00 0.00 C ATOM 20 C GLY A 3 5.002 -9.817 -6.572 1.00 0.00 C ATOM 21 O GLY A 3 5.196 -10.677 -7.428 1.00 0.00 O ATOM 0 H GLY A 3 6.875 -8.596 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 3 6.073 -10.898 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 3 4.501 -10.321 -4.559 1.00 0.00 H new ATOM 25 N LYS A 4 4.458 -8.649 -6.843 1.00 0.00 N ATOM 26 CA LYS A 4 4.069 -8.292 -8.191 1.00 0.00 C ATOM 27 C LYS A 4 5.082 -7.333 -8.792 1.00 0.00 C ATOM 28 O LYS A 4 5.106 -6.143 -8.458 1.00 0.00 O ATOM 29 CB LYS A 4 2.672 -7.671 -8.210 1.00 0.00 C ATOM 30 CG LYS A 4 1.576 -8.608 -7.726 1.00 0.00 C ATOM 31 CD LYS A 4 0.203 -7.961 -7.819 1.00 0.00 C ATOM 32 CE LYS A 4 0.062 -6.792 -6.857 1.00 0.00 C ATOM 33 NZ LYS A 4 -1.229 -6.081 -7.041 1.00 0.00 N ATOM 0 H LYS A 4 4.275 -7.928 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 4 4.044 -9.201 -8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.674 -6.777 -7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.441 -7.351 -9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.589 -9.521 -8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.773 -8.897 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.033 -7.615 -8.839 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.564 -8.704 -7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.135 -7.154 -5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.886 -6.095 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.289 -5.290 -6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.288 -5.714 -8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.015 -6.740 -6.872 1.00 0.00 H new ATOM 47 N GLY A 5 5.925 -7.854 -9.654 1.00 0.00 N ATOM 48 CA GLY A 5 6.934 -7.040 -10.280 1.00 0.00 C ATOM 49 C GLY A 5 8.067 -7.868 -10.827 1.00 0.00 C ATOM 50 O GLY A 5 8.054 -9.100 -10.702 1.00 0.00 O ATOM 0 H GLY A 5 5.930 -8.835 -9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.484 -6.462 -11.088 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.324 -6.325 -9.556 1.00 0.00 H new ATOM 54 N LYS A 6 9.044 -7.188 -11.427 1.00 0.00 N ATOM 55 CA LYS A 6 10.221 -7.821 -12.033 1.00 0.00 C ATOM 56 C LYS A 6 9.874 -8.575 -13.309 1.00 0.00 C ATOM 57 O LYS A 6 8.811 -9.191 -13.424 1.00 0.00 O ATOM 58 CB LYS A 6 10.958 -8.731 -11.046 1.00 0.00 C ATOM 59 CG LYS A 6 11.717 -7.975 -9.973 1.00 0.00 C ATOM 60 CD LYS A 6 12.518 -8.916 -9.094 1.00 0.00 C ATOM 61 CE LYS A 6 13.483 -8.151 -8.207 1.00 0.00 C ATOM 62 NZ LYS A 6 14.461 -7.370 -9.011 1.00 0.00 N ATOM 0 H LYS A 6 9.043 -6.171 -11.508 1.00 0.00 H new ATOM 0 HA LYS A 6 10.897 -7.010 -12.303 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.237 -9.395 -10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.656 -9.361 -11.597 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.386 -7.252 -10.440 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.016 -7.410 -9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.841 -9.505 -8.476 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.072 -9.618 -9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.925 -7.477 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.016 -8.849 -7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.425 -7.577 -8.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.374 -7.632 -10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.268 -6.354 -8.901 1.00 0.00 H new ATOM 76 N GLY A 7 10.770 -8.509 -14.267 1.00 0.00 N ATOM 77 CA GLY A 7 10.560 -9.173 -15.523 1.00 0.00 C ATOM 78 C GLY A 7 11.591 -10.241 -15.772 1.00 0.00 C ATOM 79 O GLY A 7 12.061 -10.891 -14.833 1.00 0.00 O ATOM 0 H GLY A 7 11.651 -8.000 -14.196 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.565 -9.618 -15.536 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.593 -8.441 -16.330 1.00 0.00 H new ATOM 83 N GLU A 8 11.956 -10.426 -17.027 1.00 0.00 N ATOM 84 CA GLU A 8 12.919 -11.450 -17.385 1.00 0.00 C ATOM 85 C GLU A 8 14.338 -10.903 -17.487 1.00 0.00 C ATOM 86 O GLU A 8 15.266 -11.637 -17.842 1.00 0.00 O ATOM 87 CB GLU A 8 12.514 -12.149 -18.675 1.00 0.00 C ATOM 88 CG GLU A 8 11.205 -12.906 -18.562 1.00 0.00 C ATOM 89 CD GLU A 8 10.892 -13.710 -19.795 1.00 0.00 C ATOM 90 OE1 GLU A 8 11.412 -14.838 -19.921 1.00 0.00 O ATOM 91 OE2 GLU A 8 10.112 -13.229 -20.641 1.00 0.00 O ATOM 0 H GLU A 8 11.601 -9.882 -17.814 1.00 0.00 H new ATOM 0 HA GLU A 8 12.918 -12.182 -16.578 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.430 -11.408 -19.470 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.303 -12.842 -18.967 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.248 -13.572 -17.700 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.396 -12.199 -18.379 1.00 0.00 H new ATOM 98 N LYS A 9 14.521 -9.623 -17.183 1.00 0.00 N ATOM 99 CA LYS A 9 15.863 -9.056 -17.179 1.00 0.00 C ATOM 100 C LYS A 9 16.560 -9.425 -15.887 1.00 0.00 C ATOM 101 O LYS A 9 17.785 -9.470 -15.821 1.00 0.00 O ATOM 102 CB LYS A 9 15.863 -7.529 -17.382 1.00 0.00 C ATOM 103 CG LYS A 9 15.732 -7.078 -18.840 1.00 0.00 C ATOM 104 CD LYS A 9 14.412 -7.509 -19.456 1.00 0.00 C ATOM 105 CE LYS A 9 14.341 -7.161 -20.939 1.00 0.00 C ATOM 106 NZ LYS A 9 14.243 -5.697 -21.169 1.00 0.00 N ATOM 0 H LYS A 9 13.775 -8.971 -16.941 1.00 0.00 H new ATOM 0 HA LYS A 9 16.405 -9.478 -18.025 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.042 -7.100 -16.808 1.00 0.00 H new ATOM 0 HB3 LYS A 9 16.787 -7.121 -16.971 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.819 -5.993 -18.892 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.555 -7.492 -19.422 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.285 -8.584 -19.328 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.589 -7.025 -18.929 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.226 -7.548 -21.444 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.478 -7.655 -21.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.197 -5.508 -22.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.385 -5.330 -20.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.078 -5.226 -20.767 1.00 0.00 H new ATOM 120 N CYS A 10 15.761 -9.703 -14.861 1.00 0.00 N ATOM 121 CA CYS A 10 16.285 -10.143 -13.585 1.00 0.00 C ATOM 122 C CYS A 10 16.934 -11.497 -13.728 1.00 0.00 C ATOM 123 O CYS A 10 16.387 -12.401 -14.377 1.00 0.00 O ATOM 124 CB CYS A 10 15.182 -10.211 -12.539 1.00 0.00 C ATOM 125 SG CYS A 10 14.500 -8.612 -12.089 1.00 0.00 S ATOM 0 H CYS A 10 14.744 -9.629 -14.895 1.00 0.00 H new ATOM 0 HA CYS A 10 17.030 -9.418 -13.257 1.00 0.00 H new ATOM 0 HB2 CYS A 10 14.378 -10.844 -12.915 1.00 0.00 H new ATOM 0 HB3 CYS A 10 15.575 -10.692 -11.643 1.00 0.00 H new ATOM 130 N THR A 11 18.079 -11.641 -13.112 1.00 0.00 N ATOM 131 CA THR A 11 18.841 -12.855 -13.185 1.00 0.00 C ATOM 132 C THR A 11 18.176 -13.933 -12.368 1.00 0.00 C ATOM 133 O THR A 11 17.235 -13.662 -11.618 1.00 0.00 O ATOM 134 CB THR A 11 20.246 -12.633 -12.629 1.00 0.00 C ATOM 135 OG1 THR A 11 20.155 -12.318 -11.235 1.00 0.00 O ATOM 136 CG2 THR A 11 20.928 -11.501 -13.362 1.00 0.00 C ATOM 0 H THR A 11 18.509 -10.913 -12.542 1.00 0.00 H new ATOM 0 HA THR A 11 18.898 -13.157 -14.231 1.00 0.00 H new ATOM 0 HB THR A 11 20.833 -13.541 -12.766 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.808 -11.622 -11.014 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.928 -11.354 -12.955 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.000 -11.745 -14.422 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.348 -10.586 -13.239 1.00 0.00 H new ATOM 144 N SER A 12 18.670 -15.142 -12.484 1.00 0.00 N ATOM 145 CA SER A 12 18.143 -16.237 -11.712 1.00 0.00 C ATOM 146 C SER A 12 18.519 -16.063 -10.234 1.00 0.00 C ATOM 147 O SER A 12 17.987 -16.736 -9.357 1.00 0.00 O ATOM 148 CB SER A 12 18.688 -17.553 -12.251 1.00 0.00 C ATOM 149 OG SER A 12 18.528 -17.626 -13.663 1.00 0.00 O ATOM 0 H SER A 12 19.438 -15.391 -13.107 1.00 0.00 H new ATOM 0 HA SER A 12 17.056 -16.248 -11.794 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.743 -17.647 -11.995 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.170 -18.387 -11.778 1.00 0.00 H new ATOM 0 HG SER A 12 18.886 -18.478 -13.989 1.00 0.00 H new ATOM 155 N ALA A 13 19.425 -15.128 -9.983 1.00 0.00 N ATOM 156 CA ALA A 13 19.902 -14.847 -8.650 1.00 0.00 C ATOM 157 C ALA A 13 19.014 -13.817 -7.946 1.00 0.00 C ATOM 158 O ALA A 13 18.738 -13.936 -6.754 1.00 0.00 O ATOM 159 CB ALA A 13 21.339 -14.360 -8.717 1.00 0.00 C ATOM 0 H ALA A 13 19.847 -14.545 -10.706 1.00 0.00 H new ATOM 0 HA ALA A 13 19.861 -15.766 -8.065 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.699 -14.148 -7.710 1.00 0.00 H new ATOM 0 HB2 ALA A 13 21.963 -15.130 -9.171 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.388 -13.452 -9.318 1.00 0.00 H new ATOM 165 N CYS A 14 18.562 -12.812 -8.691 1.00 0.00 N ATOM 166 CA CYS A 14 17.719 -11.754 -8.123 1.00 0.00 C ATOM 167 C CYS A 14 16.312 -12.258 -7.845 1.00 0.00 C ATOM 168 O CYS A 14 15.602 -11.721 -6.992 1.00 0.00 O ATOM 169 CB CYS A 14 17.660 -10.544 -9.057 1.00 0.00 C ATOM 170 SG CYS A 14 16.653 -9.176 -8.432 1.00 0.00 S ATOM 0 H CYS A 14 18.762 -12.704 -9.685 1.00 0.00 H new ATOM 0 HA CYS A 14 18.171 -11.451 -7.178 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.674 -10.184 -9.232 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.263 -10.862 -10.021 1.00 0.00 H new ATOM 175 N ARG A 15 15.912 -13.302 -8.560 1.00 0.00 N ATOM 176 CA ARG A 15 14.582 -13.884 -8.387 1.00 0.00 C ATOM 177 C ARG A 15 14.516 -14.665 -7.082 1.00 0.00 C ATOM 178 O ARG A 15 13.445 -15.080 -6.644 1.00 0.00 O ATOM 179 CB ARG A 15 14.244 -14.803 -9.560 1.00 0.00 C ATOM 180 CG ARG A 15 14.402 -14.145 -10.915 1.00 0.00 C ATOM 181 CD ARG A 15 14.160 -15.135 -12.038 1.00 0.00 C ATOM 182 NE ARG A 15 14.626 -14.623 -13.326 1.00 0.00 N ATOM 183 CZ ARG A 15 14.391 -15.212 -14.498 1.00 0.00 C ATOM 184 NH1 ARG A 15 13.683 -16.337 -14.552 1.00 0.00 N ATOM 185 NH2 ARG A 15 14.878 -14.681 -15.613 1.00 0.00 N ATOM 0 H ARG A 15 16.487 -13.764 -9.265 1.00 0.00 H new ATOM 0 HA ARG A 15 13.853 -13.074 -8.355 1.00 0.00 H new ATOM 0 HB2 ARG A 15 14.885 -15.683 -9.517 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.217 -15.151 -9.453 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.702 -13.314 -11.002 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.405 -13.728 -11.005 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.671 -16.071 -11.813 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.095 -15.360 -12.100 1.00 0.00 H new ATOM 0 HE ARG A 15 15.167 -13.758 -13.327 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.318 -16.752 -13.694 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.505 -16.785 -15.451 1.00 0.00 H new ATOM 0 HH21 ARG A 15 15.430 -13.825 -15.571 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.700 -15.130 -16.512 1.00 0.00 H new ATOM 199 N SER A 16 15.669 -14.862 -6.476 1.00 0.00 N ATOM 200 CA SER A 16 15.775 -15.571 -5.230 1.00 0.00 C ATOM 201 C SER A 16 15.620 -14.604 -4.061 1.00 0.00 C ATOM 202 O SER A 16 15.785 -13.391 -4.216 1.00 0.00 O ATOM 203 CB SER A 16 17.135 -16.285 -5.158 1.00 0.00 C ATOM 204 OG SER A 16 17.349 -16.882 -3.889 1.00 0.00 O ATOM 0 H SER A 16 16.561 -14.530 -6.842 1.00 0.00 H new ATOM 0 HA SER A 16 14.980 -16.314 -5.170 1.00 0.00 H new ATOM 0 HB2 SER A 16 17.186 -17.050 -5.933 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.932 -15.570 -5.363 1.00 0.00 H new ATOM 0 HG SER A 16 17.655 -16.201 -3.254 1.00 0.00 H new ATOM 210 N GLU A 17 15.290 -15.139 -2.904 1.00 0.00 N ATOM 211 CA GLU A 17 15.165 -14.346 -1.705 1.00 0.00 C ATOM 212 C GLU A 17 15.926 -15.014 -0.553 1.00 0.00 C ATOM 213 O GLU A 17 15.602 -16.135 -0.149 1.00 0.00 O ATOM 214 CB GLU A 17 13.684 -14.119 -1.351 1.00 0.00 C ATOM 215 CG GLU A 17 12.847 -15.388 -1.283 1.00 0.00 C ATOM 216 CD GLU A 17 11.402 -15.111 -0.932 1.00 0.00 C ATOM 217 OE1 GLU A 17 11.129 -14.755 0.231 1.00 0.00 O ATOM 218 OE2 GLU A 17 10.526 -15.266 -1.810 1.00 0.00 O ATOM 0 H GLU A 17 15.102 -16.133 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 17 15.609 -13.366 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.628 -13.611 -0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.246 -13.450 -2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.892 -15.901 -2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.275 -16.062 -0.541 1.00 0.00 H new ATOM 225 N PRO A 18 16.967 -14.346 -0.016 1.00 0.00 N ATOM 226 CA PRO A 18 17.379 -13.008 -0.447 1.00 0.00 C ATOM 227 C PRO A 18 18.072 -13.018 -1.802 1.00 0.00 C ATOM 228 O PRO A 18 18.307 -14.086 -2.391 1.00 0.00 O ATOM 229 CB PRO A 18 18.370 -12.553 0.640 1.00 0.00 C ATOM 230 CG PRO A 18 18.331 -13.612 1.699 1.00 0.00 C ATOM 231 CD PRO A 18 17.840 -14.859 1.034 1.00 0.00 C ATOM 0 HA PRO A 18 16.518 -12.350 -0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 18 19.375 -12.445 0.232 1.00 0.00 H new ATOM 0 HB3 PRO A 18 18.085 -11.583 1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.320 -13.766 2.130 1.00 0.00 H new ATOM 0 HG3 PRO A 18 17.669 -13.321 2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.660 -15.449 0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.301 -15.502 1.729 1.00 0.00 H new ATOM 239 N CYS A 19 18.394 -11.831 -2.283 1.00 0.00 N ATOM 240 CA CYS A 19 19.048 -11.664 -3.562 1.00 0.00 C ATOM 241 C CYS A 19 20.387 -12.387 -3.583 1.00 0.00 C ATOM 242 O CYS A 19 21.124 -12.388 -2.593 1.00 0.00 O ATOM 243 CB CYS A 19 19.261 -10.188 -3.845 1.00 0.00 C ATOM 244 SG CYS A 19 19.913 -9.854 -5.485 1.00 0.00 S ATOM 0 H CYS A 19 18.208 -10.955 -1.794 1.00 0.00 H new ATOM 0 HA CYS A 19 18.408 -12.094 -4.333 1.00 0.00 H new ATOM 0 HB2 CYS A 19 18.313 -9.664 -3.727 1.00 0.00 H new ATOM 0 HB3 CYS A 19 19.945 -9.780 -3.101 1.00 0.00 H new ATOM 249 N GLN A 20 20.699 -12.997 -4.710 1.00 0.00 N ATOM 250 CA GLN A 20 21.931 -13.747 -4.846 1.00 0.00 C ATOM 251 C GLN A 20 22.859 -13.114 -5.894 1.00 0.00 C ATOM 252 O GLN A 20 23.860 -13.713 -6.285 1.00 0.00 O ATOM 253 CB GLN A 20 21.620 -15.208 -5.219 1.00 0.00 C ATOM 254 CG GLN A 20 20.717 -15.936 -4.223 1.00 0.00 C ATOM 255 CD GLN A 20 21.387 -16.204 -2.884 1.00 0.00 C ATOM 256 OE1 GLN A 20 22.256 -15.459 -2.447 1.00 0.00 O ATOM 257 NE2 GLN A 20 20.987 -17.274 -2.229 1.00 0.00 N ATOM 0 H GLN A 20 20.115 -12.987 -5.546 1.00 0.00 H new ATOM 0 HA GLN A 20 22.449 -13.725 -3.887 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.147 -15.227 -6.201 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.559 -15.755 -5.307 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.818 -15.343 -4.058 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.399 -16.884 -4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.261 -17.872 -2.624 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.403 -17.505 -1.327 1.00 0.00 H new ATOM 266 N CYS A 21 22.538 -11.889 -6.328 1.00 0.00 N ATOM 267 CA CYS A 21 23.340 -11.193 -7.344 1.00 0.00 C ATOM 268 C CYS A 21 24.570 -10.513 -6.727 1.00 0.00 C ATOM 269 O CYS A 21 25.155 -9.601 -7.325 1.00 0.00 O ATOM 270 CB CYS A 21 22.485 -10.150 -8.063 1.00 0.00 C ATOM 271 SG CYS A 21 20.959 -10.796 -8.791 1.00 0.00 S ATOM 0 H CYS A 21 21.732 -11.360 -5.994 1.00 0.00 H new ATOM 0 HA CYS A 21 23.688 -11.940 -8.058 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.229 -9.360 -7.357 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.082 -9.691 -8.851 1.00 0.00 H new ATOM 276 N GLY A 22 24.968 -10.968 -5.543 1.00 0.00 N ATOM 277 CA GLY A 22 26.125 -10.404 -4.874 1.00 0.00 C ATOM 278 C GLY A 22 27.401 -10.625 -5.660 1.00 0.00 C ATOM 279 O GLY A 22 27.890 -11.754 -5.755 1.00 0.00 O ATOM 0 H GLY A 22 24.507 -11.721 -5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.972 -9.335 -4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.226 -10.852 -3.886 1.00 0.00 H new ATOM 283 N SER A 23 27.925 -9.541 -6.244 1.00 0.00 N ATOM 284 CA SER A 23 29.144 -9.579 -7.063 1.00 0.00 C ATOM 285 C SER A 23 28.954 -10.447 -8.307 1.00 0.00 C ATOM 286 O SER A 23 29.914 -10.805 -8.987 1.00 0.00 O ATOM 287 CB SER A 23 30.339 -10.060 -6.233 1.00 0.00 C ATOM 288 OG SER A 23 30.518 -9.241 -5.082 1.00 0.00 O ATOM 0 H SER A 23 27.515 -8.610 -6.162 1.00 0.00 H new ATOM 0 HA SER A 23 29.351 -8.564 -7.402 1.00 0.00 H new ATOM 0 HB2 SER A 23 30.183 -11.095 -5.928 1.00 0.00 H new ATOM 0 HB3 SER A 23 31.242 -10.041 -6.843 1.00 0.00 H new ATOM 0 HG SER A 23 31.285 -9.566 -4.565 1.00 0.00 H new ATOM 294 N LYS A 24 27.710 -10.747 -8.608 1.00 0.00 N ATOM 295 CA LYS A 24 27.363 -11.547 -9.752 1.00 0.00 C ATOM 296 C LYS A 24 25.970 -11.165 -10.220 1.00 0.00 C ATOM 297 O LYS A 24 24.984 -11.807 -9.870 1.00 0.00 O ATOM 298 CB LYS A 24 27.426 -13.036 -9.407 1.00 0.00 C ATOM 299 CG LYS A 24 27.148 -13.937 -10.584 1.00 0.00 C ATOM 300 CD LYS A 24 27.126 -15.399 -10.183 1.00 0.00 C ATOM 301 CE LYS A 24 26.786 -16.289 -11.368 1.00 0.00 C ATOM 302 NZ LYS A 24 27.798 -16.184 -12.452 1.00 0.00 N ATOM 0 H LYS A 24 26.908 -10.438 -8.059 1.00 0.00 H new ATOM 0 HA LYS A 24 28.078 -11.361 -10.554 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.413 -13.267 -9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.705 -13.249 -8.618 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.190 -13.668 -11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 24 27.909 -13.781 -11.348 1.00 0.00 H new ATOM 0 HD2 LYS A 24 28.098 -15.683 -9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.394 -15.550 -9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 24 26.717 -17.325 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 24 25.806 -16.014 -11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 27.645 -16.945 -13.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.706 -15.262 -12.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.752 -16.272 -12.046 1.00 0.00 H new ATOM 316 N CYS A 25 25.893 -10.095 -10.970 1.00 0.00 N ATOM 317 CA CYS A 25 24.628 -9.583 -11.418 1.00 0.00 C ATOM 318 C CYS A 25 24.615 -9.314 -12.919 1.00 0.00 C ATOM 319 O CYS A 25 25.645 -8.986 -13.517 1.00 0.00 O ATOM 320 CB CYS A 25 24.308 -8.302 -10.675 1.00 0.00 C ATOM 321 SG CYS A 25 22.719 -7.607 -11.108 1.00 0.00 S ATOM 0 H CYS A 25 26.702 -9.559 -11.284 1.00 0.00 H new ATOM 0 HA CYS A 25 23.874 -10.342 -11.210 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.331 -8.497 -9.603 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.086 -7.567 -10.882 1.00 0.00 H new ATOM 326 N GLN A 26 23.432 -9.443 -13.510 1.00 0.00 N ATOM 327 CA GLN A 26 23.212 -9.196 -14.933 1.00 0.00 C ATOM 328 C GLN A 26 21.798 -8.657 -15.165 1.00 0.00 C ATOM 329 O GLN A 26 21.261 -8.770 -16.265 1.00 0.00 O ATOM 330 CB GLN A 26 23.403 -10.483 -15.750 1.00 0.00 C ATOM 331 CG GLN A 26 24.846 -10.921 -15.915 1.00 0.00 C ATOM 332 CD GLN A 26 24.993 -12.079 -16.881 1.00 0.00 C ATOM 333 OE1 GLN A 26 24.207 -12.224 -17.820 1.00 0.00 O ATOM 334 NE2 GLN A 26 25.995 -12.906 -16.662 1.00 0.00 N ATOM 0 H GLN A 26 22.589 -9.725 -13.010 1.00 0.00 H new ATOM 0 HA GLN A 26 23.944 -8.458 -15.261 1.00 0.00 H new ATOM 0 HB2 GLN A 26 22.846 -11.288 -15.270 1.00 0.00 H new ATOM 0 HB3 GLN A 26 22.966 -10.338 -16.738 1.00 0.00 H new ATOM 0 HG2 GLN A 26 25.440 -10.079 -16.269 1.00 0.00 H new ATOM 0 HG3 GLN A 26 25.249 -11.209 -14.944 1.00 0.00 H new ATOM 0 HE21 GLN A 26 26.622 -12.749 -15.873 1.00 0.00 H new ATOM 0 HE22 GLN A 26 26.143 -13.703 -17.281 1.00 0.00 H new ATOM 343 N CYS A 27 21.204 -8.061 -14.126 1.00 0.00 N ATOM 344 CA CYS A 27 19.836 -7.537 -14.220 1.00 0.00 C ATOM 345 C CYS A 27 19.727 -6.376 -15.196 1.00 0.00 C ATOM 346 O CYS A 27 20.735 -5.860 -15.694 1.00 0.00 O ATOM 347 CB CYS A 27 19.302 -7.130 -12.846 1.00 0.00 C ATOM 348 SG CYS A 27 18.762 -8.520 -11.830 1.00 0.00 S ATOM 0 H CYS A 27 21.645 -7.930 -13.216 1.00 0.00 H new ATOM 0 HA CYS A 27 19.220 -8.348 -14.607 1.00 0.00 H new ATOM 0 HB2 CYS A 27 20.079 -6.583 -12.312 1.00 0.00 H new ATOM 0 HB3 CYS A 27 18.465 -6.445 -12.981 1.00 0.00 H new ATOM 353 N GLY A 28 18.500 -5.969 -15.465 1.00 0.00 N ATOM 354 CA GLY A 28 18.263 -4.909 -16.408 1.00 0.00 C ATOM 355 C GLY A 28 18.221 -3.543 -15.763 1.00 0.00 C ATOM 356 O GLY A 28 18.616 -3.371 -14.609 1.00 0.00 O ATOM 0 H GLY A 28 17.659 -6.360 -15.041 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.046 -4.923 -17.166 1.00 0.00 H new ATOM 0 HA3 GLY A 28 17.319 -5.091 -16.922 1.00 0.00 H new ATOM 360 N GLU A 29 17.724 -2.574 -16.505 1.00 0.00 N ATOM 361 CA GLU A 29 17.660 -1.197 -16.030 1.00 0.00 C ATOM 362 C GLU A 29 16.412 -0.968 -15.190 1.00 0.00 C ATOM 363 O GLU A 29 16.377 -0.077 -14.335 1.00 0.00 O ATOM 364 CB GLU A 29 17.700 -0.217 -17.209 1.00 0.00 C ATOM 365 CG GLU A 29 16.599 -0.434 -18.237 1.00 0.00 C ATOM 366 CD GLU A 29 16.695 0.527 -19.397 1.00 0.00 C ATOM 367 OE1 GLU A 29 17.496 0.270 -20.325 1.00 0.00 O ATOM 368 OE2 GLU A 29 15.979 1.549 -19.389 1.00 0.00 O ATOM 0 H GLU A 29 17.355 -2.711 -17.446 1.00 0.00 H new ATOM 0 HA GLU A 29 18.531 -1.017 -15.400 1.00 0.00 H new ATOM 0 HB2 GLU A 29 17.627 0.800 -16.824 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.667 -0.302 -17.705 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.652 -1.457 -18.611 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.628 -0.321 -17.755 1.00 0.00 H new ATOM 375 N GLY A 30 15.401 -1.788 -15.420 1.00 0.00 N ATOM 376 CA GLY A 30 14.163 -1.660 -14.687 1.00 0.00 C ATOM 377 C GLY A 30 14.157 -2.515 -13.444 1.00 0.00 C ATOM 378 O GLY A 30 13.214 -3.264 -13.197 1.00 0.00 O ATOM 0 H GLY A 30 15.417 -2.544 -16.105 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.010 -0.617 -14.411 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.329 -1.946 -15.329 1.00 0.00 H new ATOM 382 N CYS A 31 15.218 -2.422 -12.678 1.00 0.00 N ATOM 383 CA CYS A 31 15.340 -3.164 -11.447 1.00 0.00 C ATOM 384 C CYS A 31 15.516 -2.184 -10.293 1.00 0.00 C ATOM 385 O CYS A 31 16.388 -1.307 -10.339 1.00 0.00 O ATOM 386 CB CYS A 31 16.530 -4.134 -11.525 1.00 0.00 C ATOM 387 SG CYS A 31 16.603 -5.346 -10.182 1.00 0.00 S ATOM 0 H CYS A 31 16.021 -1.830 -12.891 1.00 0.00 H new ATOM 0 HA CYS A 31 14.438 -3.754 -11.282 1.00 0.00 H new ATOM 0 HB2 CYS A 31 16.486 -4.666 -12.475 1.00 0.00 H new ATOM 0 HB3 CYS A 31 17.454 -3.556 -11.526 1.00 0.00 H new ATOM 392 N THR A 32 14.680 -2.310 -9.279 1.00 0.00 N ATOM 393 CA THR A 32 14.722 -1.409 -8.141 1.00 0.00 C ATOM 394 C THR A 32 15.257 -2.115 -6.894 1.00 0.00 C ATOM 395 O THR A 32 15.244 -1.550 -5.799 1.00 0.00 O ATOM 396 CB THR A 32 13.321 -0.791 -7.847 1.00 0.00 C ATOM 397 OG1 THR A 32 13.394 0.107 -6.728 1.00 0.00 O ATOM 398 CG2 THR A 32 12.290 -1.877 -7.561 1.00 0.00 C ATOM 0 H THR A 32 13.961 -3.031 -9.220 1.00 0.00 H new ATOM 0 HA THR A 32 15.404 -0.599 -8.401 1.00 0.00 H new ATOM 0 HB THR A 32 13.010 -0.239 -8.734 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.060 -0.221 -6.088 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.323 -1.416 -7.360 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.205 -2.535 -8.426 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.604 -2.457 -6.693 1.00 0.00 H new ATOM 406 N CYS A 33 15.740 -3.335 -7.066 1.00 0.00 N ATOM 407 CA CYS A 33 16.280 -4.095 -5.952 1.00 0.00 C ATOM 408 C CYS A 33 17.585 -3.472 -5.470 1.00 0.00 C ATOM 409 O CYS A 33 18.576 -3.470 -6.184 1.00 0.00 O ATOM 410 CB CYS A 33 16.508 -5.546 -6.355 1.00 0.00 C ATOM 411 SG CYS A 33 17.115 -6.584 -5.015 1.00 0.00 S ATOM 0 H CYS A 33 15.769 -3.818 -7.964 1.00 0.00 H new ATOM 0 HA CYS A 33 15.557 -4.071 -5.137 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.572 -5.961 -6.729 1.00 0.00 H new ATOM 0 HB3 CYS A 33 17.222 -5.577 -7.178 1.00 0.00 H new ATOM 416 N ALA A 34 17.581 -2.971 -4.245 1.00 0.00 N ATOM 417 CA ALA A 34 18.736 -2.271 -3.685 1.00 0.00 C ATOM 418 C ALA A 34 19.901 -3.215 -3.382 1.00 0.00 C ATOM 419 O ALA A 34 20.984 -2.768 -2.995 1.00 0.00 O ATOM 420 CB ALA A 34 18.331 -1.510 -2.431 1.00 0.00 C ATOM 0 H ALA A 34 16.785 -3.035 -3.611 1.00 0.00 H new ATOM 0 HA ALA A 34 19.084 -1.567 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.199 -0.993 -2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.559 -0.782 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.944 -2.209 -1.690 1.00 0.00 H new ATOM 426 N ALA A 35 19.681 -4.506 -3.553 1.00 0.00 N ATOM 427 CA ALA A 35 20.720 -5.488 -3.300 1.00 0.00 C ATOM 428 C ALA A 35 21.744 -5.506 -4.431 1.00 0.00 C ATOM 429 O ALA A 35 22.954 -5.601 -4.189 1.00 0.00 O ATOM 430 CB ALA A 35 20.111 -6.866 -3.111 1.00 0.00 C ATOM 0 H ALA A 35 18.793 -4.899 -3.866 1.00 0.00 H new ATOM 0 HA ALA A 35 21.237 -5.206 -2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.903 -7.591 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.426 -6.848 -2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.566 -7.150 -4.012 1.00 0.00 H new ATOM 436 N CYS A 36 21.260 -5.406 -5.657 1.00 0.00 N ATOM 437 CA CYS A 36 22.129 -5.436 -6.821 1.00 0.00 C ATOM 438 C CYS A 36 22.183 -4.070 -7.535 1.00 0.00 C ATOM 439 O CYS A 36 23.111 -3.794 -8.298 1.00 0.00 O ATOM 440 CB CYS A 36 21.681 -6.553 -7.768 1.00 0.00 C ATOM 441 SG CYS A 36 19.915 -6.539 -8.162 1.00 0.00 S ATOM 0 H CYS A 36 20.268 -5.303 -5.872 1.00 0.00 H new ATOM 0 HA CYS A 36 23.145 -5.646 -6.488 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.248 -6.475 -8.696 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.933 -7.514 -7.320 1.00 0.00 H new ATOM 446 N LYS A 37 21.202 -3.218 -7.262 1.00 0.00 N ATOM 447 CA LYS A 37 21.141 -1.886 -7.860 1.00 0.00 C ATOM 448 C LYS A 37 22.070 -0.927 -7.117 1.00 0.00 C ATOM 449 O LYS A 37 21.840 -0.603 -5.949 1.00 0.00 O ATOM 450 CB LYS A 37 19.708 -1.367 -7.807 1.00 0.00 C ATOM 451 CG LYS A 37 19.462 -0.067 -8.542 1.00 0.00 C ATOM 452 CD LYS A 37 18.059 0.435 -8.258 1.00 0.00 C ATOM 453 CE LYS A 37 17.679 1.595 -9.152 1.00 0.00 C ATOM 454 NZ LYS A 37 17.561 1.188 -10.576 1.00 0.00 N ATOM 0 H LYS A 37 20.432 -3.426 -6.626 1.00 0.00 H new ATOM 0 HA LYS A 37 21.465 -1.949 -8.899 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.048 -2.129 -8.220 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.426 -1.233 -6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.193 0.679 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.593 -0.216 -9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.348 -0.379 -8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.989 0.743 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.731 2.016 -8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.427 2.382 -9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.123 1.957 -11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.507 0.987 -10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.971 0.334 -10.645 1.00 0.00 H new ATOM 468 N THR A 38 23.106 -0.476 -7.792 1.00 0.00 N ATOM 469 CA THR A 38 24.081 0.416 -7.190 1.00 0.00 C ATOM 470 C THR A 38 24.157 1.745 -7.966 1.00 0.00 C ATOM 471 O THR A 38 23.611 1.860 -9.064 1.00 0.00 O ATOM 472 CB THR A 38 25.478 -0.265 -7.148 1.00 0.00 C ATOM 473 OG1 THR A 38 26.417 0.550 -6.438 1.00 0.00 O ATOM 474 CG2 THR A 38 25.996 -0.537 -8.556 1.00 0.00 C ATOM 0 H THR A 38 23.298 -0.713 -8.765 1.00 0.00 H new ATOM 0 HA THR A 38 23.765 0.633 -6.170 1.00 0.00 H new ATOM 0 HB THR A 38 25.367 -1.216 -6.627 1.00 0.00 H new ATOM 0 HG1 THR A 38 27.290 0.104 -6.421 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.975 -1.014 -8.498 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.302 -1.196 -9.078 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.082 0.404 -9.100 1.00 0.00 H new ATOM 482 N CYS A 39 24.807 2.745 -7.378 1.00 0.00 N ATOM 483 CA CYS A 39 24.984 4.048 -8.017 1.00 0.00 C ATOM 484 C CYS A 39 26.198 4.760 -7.428 1.00 0.00 C ATOM 485 O CYS A 39 26.492 4.613 -6.240 1.00 0.00 O ATOM 486 CB CYS A 39 23.722 4.911 -7.842 1.00 0.00 C ATOM 487 SG CYS A 39 23.833 6.582 -8.542 1.00 0.00 S ATOM 0 H CYS A 39 25.225 2.677 -6.450 1.00 0.00 H new ATOM 0 HA CYS A 39 25.150 3.893 -9.083 1.00 0.00 H new ATOM 0 HB2 CYS A 39 22.880 4.395 -8.304 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.501 4.993 -6.778 1.00 0.00 H new ATOM 492 N ASN A 40 26.908 5.509 -8.260 1.00 0.00 N ATOM 493 CA ASN A 40 28.085 6.249 -7.806 1.00 0.00 C ATOM 494 C ASN A 40 27.777 7.722 -7.618 1.00 0.00 C ATOM 495 O ASN A 40 28.559 8.453 -7.014 1.00 0.00 O ATOM 496 CB ASN A 40 29.272 6.063 -8.757 1.00 0.00 C ATOM 497 CG ASN A 40 30.004 4.751 -8.524 1.00 0.00 C ATOM 498 OD1 ASN A 40 30.937 4.681 -7.725 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.587 3.709 -9.213 1.00 0.00 N ATOM 0 H ASN A 40 26.693 5.622 -9.251 1.00 0.00 H new ATOM 0 HA ASN A 40 28.365 5.836 -6.837 1.00 0.00 H new ATOM 0 HB2 ASN A 40 28.917 6.100 -9.787 1.00 0.00 H new ATOM 0 HB3 ASN A 40 29.969 6.892 -8.630 1.00 0.00 H new ATOM 0 HD21 ASN A 40 30.041 2.804 -9.093 1.00 0.00 H new ATOM 0 HD22 ASN A 40 28.810 3.807 -9.866 1.00 0.00 H new ATOM 506 N CYS A 41 26.645 8.159 -8.133 1.00 0.00 N ATOM 507 CA CYS A 41 26.217 9.520 -7.933 1.00 0.00 C ATOM 508 C CYS A 41 25.405 9.560 -6.654 1.00 0.00 C ATOM 509 O CYS A 41 24.597 8.679 -6.413 1.00 0.00 O ATOM 510 CB CYS A 41 25.376 10.022 -9.121 1.00 0.00 C ATOM 511 SG CYS A 41 26.225 9.965 -10.743 1.00 0.00 S ATOM 0 H CYS A 41 26.009 7.589 -8.691 1.00 0.00 H new ATOM 0 HA CYS A 41 27.085 10.175 -7.859 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.466 9.425 -9.182 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.070 11.049 -8.923 1.00 0.00 H new ATOM 516 N THR A 42 25.638 10.539 -5.822 1.00 0.00 N ATOM 517 CA THR A 42 24.934 10.619 -4.555 1.00 0.00 C ATOM 518 C THR A 42 24.301 11.988 -4.382 1.00 0.00 C ATOM 519 O THR A 42 24.220 12.760 -5.336 1.00 0.00 O ATOM 520 CB THR A 42 25.887 10.343 -3.370 1.00 0.00 C ATOM 521 OG1 THR A 42 26.935 11.324 -3.345 1.00 0.00 O ATOM 522 CG2 THR A 42 26.497 8.950 -3.469 1.00 0.00 C ATOM 0 H THR A 42 26.305 11.292 -5.990 1.00 0.00 H new ATOM 0 HA THR A 42 24.154 9.858 -4.564 1.00 0.00 H new ATOM 0 HB THR A 42 25.306 10.402 -2.449 1.00 0.00 H new ATOM 0 HG1 THR A 42 27.534 11.144 -2.591 1.00 0.00 H new ATOM 0 HG21 THR A 42 27.163 8.783 -2.622 1.00 0.00 H new ATOM 0 HG22 THR A 42 25.703 8.203 -3.458 1.00 0.00 H new ATOM 0 HG23 THR A 42 27.062 8.865 -4.397 1.00 0.00 H new ATOM 530 N SER A 43 23.862 12.294 -3.161 1.00 0.00 N ATOM 531 CA SER A 43 23.263 13.591 -2.850 1.00 0.00 C ATOM 532 C SER A 43 24.262 14.727 -3.110 1.00 0.00 C ATOM 533 O SER A 43 23.885 15.899 -3.177 1.00 0.00 O ATOM 534 CB SER A 43 22.817 13.616 -1.388 1.00 0.00 C ATOM 535 OG SER A 43 22.065 12.453 -1.071 1.00 0.00 O ATOM 0 H SER A 43 23.911 11.656 -2.367 1.00 0.00 H new ATOM 0 HA SER A 43 22.398 13.738 -3.496 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.690 13.679 -0.738 1.00 0.00 H new ATOM 0 HB3 SER A 43 22.216 14.506 -1.202 1.00 0.00 H new ATOM 0 HG SER A 43 21.790 12.487 -0.131 1.00 0.00 H new ATOM 541 N ASP A 44 25.535 14.359 -3.253 1.00 0.00 N ATOM 542 CA ASP A 44 26.599 15.313 -3.531 1.00 0.00 C ATOM 543 C ASP A 44 26.439 15.904 -4.925 1.00 0.00 C ATOM 544 O ASP A 44 26.813 17.051 -5.173 1.00 0.00 O ATOM 545 CB ASP A 44 27.965 14.631 -3.403 1.00 0.00 C ATOM 546 CG ASP A 44 29.120 15.567 -3.696 1.00 0.00 C ATOM 547 OD1 ASP A 44 29.392 16.458 -2.866 1.00 0.00 O ATOM 548 OD2 ASP A 44 29.773 15.406 -4.753 1.00 0.00 O ATOM 0 H ASP A 44 25.853 13.393 -3.179 1.00 0.00 H new ATOM 0 HA ASP A 44 26.536 16.122 -2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 44 28.074 14.232 -2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 44 28.008 13.783 -4.087 1.00 0.00 H new ATOM 553 N GLY A 45 25.871 15.120 -5.828 1.00 0.00 N ATOM 554 CA GLY A 45 25.655 15.577 -7.175 1.00 0.00 C ATOM 555 C GLY A 45 25.760 14.456 -8.182 1.00 0.00 C ATOM 556 O GLY A 45 26.375 13.424 -7.912 1.00 0.00 O ATOM 0 H GLY A 45 25.555 14.168 -5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 45 24.669 16.037 -7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 45 26.385 16.349 -7.416 1.00 0.00 H new ATOM 560 N CYS A 46 25.156 14.657 -9.336 1.00 0.00 N ATOM 561 CA CYS A 46 25.198 13.682 -10.410 1.00 0.00 C ATOM 562 C CYS A 46 26.436 13.929 -11.267 1.00 0.00 C ATOM 563 O CYS A 46 26.739 15.078 -11.605 1.00 0.00 O ATOM 564 CB CYS A 46 23.941 13.805 -11.278 1.00 0.00 C ATOM 565 SG CYS A 46 23.920 12.718 -12.727 1.00 0.00 S ATOM 0 H CYS A 46 24.623 15.498 -9.557 1.00 0.00 H new ATOM 0 HA CYS A 46 25.239 12.679 -9.984 1.00 0.00 H new ATOM 0 HB2 CYS A 46 23.068 13.587 -10.663 1.00 0.00 H new ATOM 0 HB3 CYS A 46 23.846 14.838 -11.613 1.00 0.00 H new ATOM 570 N LYS A 47 27.161 12.877 -11.619 1.00 0.00 N ATOM 571 CA LYS A 47 28.362 13.053 -12.429 1.00 0.00 C ATOM 572 C LYS A 47 28.362 12.184 -13.678 1.00 0.00 C ATOM 573 O LYS A 47 29.347 12.144 -14.403 1.00 0.00 O ATOM 574 CB LYS A 47 29.633 12.798 -11.611 1.00 0.00 C ATOM 575 CG LYS A 47 29.810 13.745 -10.433 1.00 0.00 C ATOM 576 CD LYS A 47 31.248 13.755 -9.915 1.00 0.00 C ATOM 577 CE LYS A 47 32.152 14.702 -10.718 1.00 0.00 C ATOM 578 NZ LYS A 47 32.317 14.286 -12.137 1.00 0.00 N ATOM 0 H LYS A 47 26.947 11.913 -11.365 1.00 0.00 H new ATOM 0 HA LYS A 47 28.355 14.093 -12.754 1.00 0.00 H new ATOM 0 HB2 LYS A 47 29.615 11.773 -11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.499 12.885 -12.267 1.00 0.00 H new ATOM 0 HG2 LYS A 47 29.526 14.754 -10.733 1.00 0.00 H new ATOM 0 HG3 LYS A 47 29.137 13.451 -9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 47 31.252 14.055 -8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 47 31.654 12.745 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 47 31.734 15.708 -10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 47 33.132 14.749 -10.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 33.140 14.772 -12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 32.464 13.257 -12.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 31.463 14.538 -12.674 1.00 0.00 H new ATOM 592 N CYS A 48 27.277 11.489 -13.934 1.00 0.00 N ATOM 593 CA CYS A 48 27.208 10.664 -15.128 1.00 0.00 C ATOM 594 C CYS A 48 26.433 11.389 -16.223 1.00 0.00 C ATOM 595 O CYS A 48 26.714 11.227 -17.416 1.00 0.00 O ATOM 596 CB CYS A 48 26.553 9.329 -14.817 1.00 0.00 C ATOM 597 SG CYS A 48 24.770 9.422 -14.649 1.00 0.00 S ATOM 0 H CYS A 48 26.443 11.474 -13.347 1.00 0.00 H new ATOM 0 HA CYS A 48 28.223 10.477 -15.479 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.798 8.621 -15.609 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.976 8.933 -13.894 1.00 0.00 H new ATOM 602 N GLY A 49 25.459 12.197 -15.811 1.00 0.00 N ATOM 603 CA GLY A 49 24.663 12.945 -16.757 1.00 0.00 C ATOM 604 C GLY A 49 23.221 12.471 -16.821 1.00 0.00 C ATOM 605 O GLY A 49 22.448 12.939 -17.655 1.00 0.00 O ATOM 0 H GLY A 49 25.210 12.344 -14.833 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.682 14.000 -16.485 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.112 12.863 -17.747 1.00 0.00 H new ATOM 609 N LYS A 50 22.851 11.549 -15.945 1.00 0.00 N ATOM 610 CA LYS A 50 21.484 11.031 -15.922 1.00 0.00 C ATOM 611 C LYS A 50 20.616 11.802 -14.937 1.00 0.00 C ATOM 612 O LYS A 50 19.438 11.489 -14.766 1.00 0.00 O ATOM 613 CB LYS A 50 21.467 9.547 -15.570 1.00 0.00 C ATOM 614 CG LYS A 50 22.175 8.652 -16.574 1.00 0.00 C ATOM 615 CD LYS A 50 21.512 8.693 -17.934 1.00 0.00 C ATOM 616 CE LYS A 50 22.093 7.635 -18.851 1.00 0.00 C ATOM 617 NZ LYS A 50 21.542 7.727 -20.220 1.00 0.00 N ATOM 0 H LYS A 50 23.471 11.144 -15.243 1.00 0.00 H new ATOM 0 HA LYS A 50 21.073 11.161 -16.923 1.00 0.00 H new ATOM 0 HB2 LYS A 50 21.931 9.413 -14.593 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.431 9.220 -15.478 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.215 8.964 -16.668 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.182 7.627 -16.204 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.439 8.536 -17.825 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.646 9.679 -18.379 1.00 0.00 H new ATOM 0 HE2 LYS A 50 23.177 7.743 -18.888 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.885 6.646 -18.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.965 6.986 -20.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.510 7.599 -20.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.762 8.661 -20.621 1.00 0.00 H new ATOM 631 N GLU A 51 21.215 12.799 -14.280 1.00 0.00 N ATOM 632 CA GLU A 51 20.503 13.653 -13.321 1.00 0.00 C ATOM 633 C GLU A 51 20.022 12.828 -12.113 1.00 0.00 C ATOM 634 O GLU A 51 19.003 13.132 -11.488 1.00 0.00 O ATOM 635 CB GLU A 51 19.321 14.352 -14.017 1.00 0.00 C ATOM 636 CG GLU A 51 18.701 15.487 -13.223 1.00 0.00 C ATOM 637 CD GLU A 51 17.459 16.030 -13.881 1.00 0.00 C ATOM 638 OE1 GLU A 51 17.554 17.044 -14.600 1.00 0.00 O ATOM 639 OE2 GLU A 51 16.370 15.439 -13.693 1.00 0.00 O ATOM 0 H GLU A 51 22.200 13.037 -14.395 1.00 0.00 H new ATOM 0 HA GLU A 51 21.188 14.416 -12.952 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.660 14.741 -14.977 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.550 13.610 -14.228 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.455 15.135 -12.221 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.430 16.289 -13.109 1.00 0.00 H new ATOM 646 N CYS A 52 20.769 11.795 -11.786 1.00 0.00 N ATOM 647 CA CYS A 52 20.434 10.940 -10.674 1.00 0.00 C ATOM 648 C CYS A 52 21.333 11.237 -9.497 1.00 0.00 C ATOM 649 O CYS A 52 22.464 11.679 -9.664 1.00 0.00 O ATOM 650 CB CYS A 52 20.595 9.493 -11.074 1.00 0.00 C ATOM 651 SG CYS A 52 22.255 9.084 -11.634 1.00 0.00 S ATOM 0 H CYS A 52 21.620 11.528 -12.282 1.00 0.00 H new ATOM 0 HA CYS A 52 19.399 11.127 -10.389 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.340 8.859 -10.225 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.885 9.263 -11.868 1.00 0.00 H new ATOM 656 N THR A 53 20.830 11.010 -8.313 1.00 0.00 N ATOM 657 CA THR A 53 21.607 11.210 -7.121 1.00 0.00 C ATOM 658 C THR A 53 21.320 10.095 -6.116 1.00 0.00 C ATOM 659 O THR A 53 20.515 10.260 -5.192 1.00 0.00 O ATOM 660 CB THR A 53 21.315 12.579 -6.470 1.00 0.00 C ATOM 661 OG1 THR A 53 19.895 12.755 -6.315 1.00 0.00 O ATOM 662 CG2 THR A 53 21.884 13.725 -7.299 1.00 0.00 C ATOM 0 H THR A 53 19.878 10.684 -8.149 1.00 0.00 H new ATOM 0 HA THR A 53 22.659 11.189 -7.407 1.00 0.00 H new ATOM 0 HB THR A 53 21.798 12.594 -5.493 1.00 0.00 H new ATOM 0 HG1 THR A 53 19.510 11.957 -5.895 1.00 0.00 H new ATOM 0 HG21 THR A 53 21.660 14.673 -6.811 1.00 0.00 H new ATOM 0 HG22 THR A 53 22.964 13.609 -7.387 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.435 13.713 -8.292 1.00 0.00 H new ATOM 670 N GLY A 54 21.937 8.955 -6.328 1.00 0.00 N ATOM 671 CA GLY A 54 21.744 7.828 -5.449 1.00 0.00 C ATOM 672 C GLY A 54 20.958 6.719 -6.118 1.00 0.00 C ATOM 673 O GLY A 54 20.145 6.989 -7.006 1.00 0.00 O ATOM 0 H GLY A 54 22.578 8.785 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 54 22.714 7.445 -5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.220 8.154 -4.551 1.00 0.00 H new ATOM 677 N PRO A 55 21.170 5.453 -5.698 1.00 0.00 N ATOM 678 CA PRO A 55 20.510 4.278 -6.295 1.00 0.00 C ATOM 679 C PRO A 55 18.984 4.388 -6.320 1.00 0.00 C ATOM 680 O PRO A 55 18.340 3.920 -7.257 1.00 0.00 O ATOM 681 CB PRO A 55 20.949 3.109 -5.387 1.00 0.00 C ATOM 682 CG PRO A 55 21.511 3.750 -4.160 1.00 0.00 C ATOM 683 CD PRO A 55 22.075 5.065 -4.605 1.00 0.00 C ATOM 0 HA PRO A 55 20.794 4.158 -7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.106 2.464 -5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.694 2.486 -5.881 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.738 3.892 -3.405 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.284 3.125 -3.712 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.074 5.799 -3.799 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.105 4.968 -4.948 1.00 0.00 H new ATOM 691 N ASP A 56 18.419 5.016 -5.301 1.00 0.00 N ATOM 692 CA ASP A 56 16.965 5.168 -5.189 1.00 0.00 C ATOM 693 C ASP A 56 16.407 6.018 -6.322 1.00 0.00 C ATOM 694 O ASP A 56 15.320 5.757 -6.832 1.00 0.00 O ATOM 695 CB ASP A 56 16.593 5.810 -3.855 1.00 0.00 C ATOM 696 CG ASP A 56 16.977 4.969 -2.665 1.00 0.00 C ATOM 697 OD1 ASP A 56 16.128 4.198 -2.177 1.00 0.00 O ATOM 698 OD2 ASP A 56 18.125 5.078 -2.208 1.00 0.00 O ATOM 0 H ASP A 56 18.943 5.433 -4.532 1.00 0.00 H new ATOM 0 HA ASP A 56 16.530 4.170 -5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 56 17.081 6.782 -3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.518 5.990 -3.833 1.00 0.00 H new ATOM 703 N SER A 57 17.162 7.018 -6.719 1.00 0.00 N ATOM 704 CA SER A 57 16.725 7.939 -7.751 1.00 0.00 C ATOM 705 C SER A 57 17.481 7.687 -9.055 1.00 0.00 C ATOM 706 O SER A 57 17.563 8.562 -9.917 1.00 0.00 O ATOM 707 CB SER A 57 16.951 9.373 -7.275 1.00 0.00 C ATOM 708 OG SER A 57 16.362 9.583 -5.994 1.00 0.00 O ATOM 0 H SER A 57 18.088 7.217 -6.341 1.00 0.00 H new ATOM 0 HA SER A 57 15.663 7.783 -7.942 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.020 9.580 -7.226 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.524 10.071 -7.995 1.00 0.00 H new ATOM 0 HG SER A 57 16.521 10.507 -5.709 1.00 0.00 H new ATOM 714 N CYS A 58 17.998 6.483 -9.204 1.00 0.00 N ATOM 715 CA CYS A 58 18.773 6.123 -10.374 1.00 0.00 C ATOM 716 C CYS A 58 18.046 5.062 -11.215 1.00 0.00 C ATOM 717 O CYS A 58 17.448 4.132 -10.676 1.00 0.00 O ATOM 718 CB CYS A 58 20.140 5.596 -9.934 1.00 0.00 C ATOM 719 SG CYS A 58 21.142 4.902 -11.259 1.00 0.00 S ATOM 0 H CYS A 58 17.893 5.732 -8.522 1.00 0.00 H new ATOM 0 HA CYS A 58 18.902 7.011 -10.993 1.00 0.00 H new ATOM 0 HB2 CYS A 58 20.694 6.410 -9.466 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.991 4.832 -9.171 1.00 0.00 H new ATOM 724 N LYS A 59 18.098 5.210 -12.532 1.00 0.00 N ATOM 725 CA LYS A 59 17.478 4.245 -13.441 1.00 0.00 C ATOM 726 C LYS A 59 18.495 3.712 -14.443 1.00 0.00 C ATOM 727 O LYS A 59 18.132 3.069 -15.432 1.00 0.00 O ATOM 728 CB LYS A 59 16.303 4.868 -14.193 1.00 0.00 C ATOM 729 CG LYS A 59 15.114 5.222 -13.322 1.00 0.00 C ATOM 730 CD LYS A 59 13.937 5.657 -14.173 1.00 0.00 C ATOM 731 CE LYS A 59 12.733 6.019 -13.327 1.00 0.00 C ATOM 732 NZ LYS A 59 11.557 6.350 -14.166 1.00 0.00 N ATOM 0 H LYS A 59 18.563 5.989 -12.999 1.00 0.00 H new ATOM 0 HA LYS A 59 17.108 3.420 -12.833 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.649 5.770 -14.698 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.976 4.175 -14.968 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.832 4.361 -12.715 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.387 6.022 -12.633 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.225 6.515 -14.780 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.670 4.855 -14.861 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.487 5.187 -12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.977 6.869 -12.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.752 6.593 -13.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.784 7.160 -14.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.309 5.530 -14.755 1.00 0.00 H new ATOM 746 N CYS A 60 19.759 3.972 -14.187 1.00 0.00 N ATOM 747 CA CYS A 60 20.817 3.536 -15.077 1.00 0.00 C ATOM 748 C CYS A 60 21.093 2.049 -14.900 1.00 0.00 C ATOM 749 O CYS A 60 20.929 1.504 -13.801 1.00 0.00 O ATOM 750 CB CYS A 60 22.088 4.326 -14.800 1.00 0.00 C ATOM 751 SG CYS A 60 21.818 6.093 -14.580 1.00 0.00 S ATOM 0 H CYS A 60 20.081 4.485 -13.367 1.00 0.00 H new ATOM 0 HA CYS A 60 20.495 3.712 -16.103 1.00 0.00 H new ATOM 0 HB2 CYS A 60 22.564 3.927 -13.904 1.00 0.00 H new ATOM 0 HB3 CYS A 60 22.785 4.175 -15.625 1.00 0.00 H new ATOM 756 N GLY A 61 21.503 1.403 -15.979 1.00 0.00 N ATOM 757 CA GLY A 61 21.847 0.001 -15.921 1.00 0.00 C ATOM 758 C GLY A 61 23.254 -0.192 -15.402 1.00 0.00 C ATOM 759 O GLY A 61 23.885 0.764 -14.959 1.00 0.00 O ATOM 0 H GLY A 61 21.604 1.829 -16.900 1.00 0.00 H new ATOM 0 HA2 GLY A 61 21.143 -0.523 -15.275 1.00 0.00 H new ATOM 0 HA3 GLY A 61 21.758 -0.440 -16.914 1.00 0.00 H new ATOM 763 N SER A 62 23.765 -1.402 -15.489 1.00 0.00 N ATOM 764 CA SER A 62 25.092 -1.708 -14.969 1.00 0.00 C ATOM 765 C SER A 62 26.186 -1.415 -16.004 1.00 0.00 C ATOM 766 O SER A 62 27.351 -1.772 -15.811 1.00 0.00 O ATOM 767 CB SER A 62 25.148 -3.168 -14.533 1.00 0.00 C ATOM 768 OG SER A 62 24.093 -3.466 -13.634 1.00 0.00 O ATOM 0 H SER A 62 23.285 -2.195 -15.915 1.00 0.00 H new ATOM 0 HA SER A 62 25.277 -1.065 -14.108 1.00 0.00 H new ATOM 0 HB2 SER A 62 25.081 -3.816 -15.407 1.00 0.00 H new ATOM 0 HB3 SER A 62 26.107 -3.373 -14.057 1.00 0.00 H new ATOM 0 HG SER A 62 24.146 -4.408 -13.368 1.00 0.00 H new ATOM 774 N SER A 63 25.811 -0.753 -17.084 1.00 0.00 N ATOM 775 CA SER A 63 26.747 -0.422 -18.142 1.00 0.00 C ATOM 776 C SER A 63 26.874 1.096 -18.267 1.00 0.00 C ATOM 777 O SER A 63 27.113 1.631 -19.356 1.00 0.00 O ATOM 778 CB SER A 63 26.270 -1.037 -19.466 1.00 0.00 C ATOM 779 OG SER A 63 27.258 -0.923 -20.485 1.00 0.00 O ATOM 0 H SER A 63 24.857 -0.432 -17.251 1.00 0.00 H new ATOM 0 HA SER A 63 27.728 -0.832 -17.901 1.00 0.00 H new ATOM 0 HB2 SER A 63 26.025 -2.088 -19.312 1.00 0.00 H new ATOM 0 HB3 SER A 63 25.355 -0.541 -19.789 1.00 0.00 H new ATOM 0 HG SER A 63 27.601 -0.005 -20.507 1.00 0.00 H new ATOM 785 N CYS A 64 26.726 1.783 -17.151 1.00 0.00 N ATOM 786 CA CYS A 64 26.800 3.227 -17.132 1.00 0.00 C ATOM 787 C CYS A 64 28.082 3.708 -16.443 1.00 0.00 C ATOM 788 O CYS A 64 28.777 2.929 -15.790 1.00 0.00 O ATOM 789 CB CYS A 64 25.578 3.794 -16.429 1.00 0.00 C ATOM 790 SG CYS A 64 25.498 5.590 -16.444 1.00 0.00 S ATOM 0 H CYS A 64 26.553 1.358 -16.240 1.00 0.00 H new ATOM 0 HA CYS A 64 26.822 3.584 -18.162 1.00 0.00 H new ATOM 0 HB2 CYS A 64 24.681 3.396 -16.903 1.00 0.00 H new ATOM 0 HB3 CYS A 64 25.572 3.448 -15.395 1.00 0.00 H new ATOM 795 N SER A 65 28.376 4.993 -16.587 1.00 0.00 N ATOM 796 CA SER A 65 29.568 5.590 -16.011 1.00 0.00 C ATOM 797 C SER A 65 29.489 5.635 -14.480 1.00 0.00 C ATOM 798 O SER A 65 30.509 5.566 -13.801 1.00 0.00 O ATOM 799 CB SER A 65 29.781 7.001 -16.580 1.00 0.00 C ATOM 800 OG SER A 65 30.996 7.571 -16.118 1.00 0.00 O ATOM 0 H SER A 65 27.793 5.649 -17.107 1.00 0.00 H new ATOM 0 HA SER A 65 30.421 4.966 -16.280 1.00 0.00 H new ATOM 0 HB2 SER A 65 29.789 6.958 -17.669 1.00 0.00 H new ATOM 0 HB3 SER A 65 28.946 7.640 -16.293 1.00 0.00 H new ATOM 0 HG SER A 65 31.102 8.468 -16.499 1.00 0.00 H new ATOM 806 N CYS A 66 28.277 5.731 -13.932 1.00 0.00 N ATOM 807 CA CYS A 66 28.117 5.773 -12.480 1.00 0.00 C ATOM 808 C CYS A 66 27.947 4.362 -11.922 1.00 0.00 C ATOM 809 O CYS A 66 27.401 4.167 -10.834 1.00 0.00 O ATOM 810 CB CYS A 66 26.920 6.654 -12.083 1.00 0.00 C ATOM 811 SG CYS A 66 25.298 5.903 -12.342 1.00 0.00 S ATOM 0 H CYS A 66 27.406 5.780 -14.461 1.00 0.00 H new ATOM 0 HA CYS A 66 29.018 6.212 -12.052 1.00 0.00 H new ATOM 0 HB2 CYS A 66 27.017 6.919 -11.030 1.00 0.00 H new ATOM 0 HB3 CYS A 66 26.968 7.583 -12.651 1.00 0.00 H new ATOM 816 N LYS A 67 28.438 3.380 -12.661 1.00 0.00 N ATOM 817 CA LYS A 67 28.332 1.985 -12.261 1.00 0.00 C ATOM 818 C LYS A 67 29.702 1.311 -12.279 1.00 0.00 C ATOM 819 O LYS A 67 30.177 0.966 -13.408 1.00 0.00 O ATOM 820 CB LYS A 67 27.376 1.250 -13.195 1.00 0.00 C ATOM 821 CG LYS A 67 25.977 1.838 -13.226 1.00 0.00 C ATOM 822 CD LYS A 67 25.251 1.621 -11.912 1.00 0.00 C ATOM 823 CE LYS A 67 23.803 2.089 -11.986 1.00 0.00 C ATOM 824 NZ LYS A 67 23.693 3.567 -11.994 1.00 0.00 N ATOM 0 H LYS A 67 28.918 3.525 -13.549 1.00 0.00 H new ATOM 0 HA LYS A 67 27.943 1.945 -11.243 1.00 0.00 H new ATOM 0 HB2 LYS A 67 27.788 1.262 -14.204 1.00 0.00 H new ATOM 0 HB3 LYS A 67 27.314 0.206 -12.889 1.00 0.00 H new ATOM 0 HG2 LYS A 67 26.035 2.906 -13.438 1.00 0.00 H new ATOM 0 HG3 LYS A 67 25.408 1.382 -14.036 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.279 0.563 -11.651 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.768 2.159 -11.117 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.338 1.687 -12.886 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.250 1.690 -11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.699 3.840 -12.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.035 3.945 -11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.268 3.954 -12.770 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 CD CD A 101 16.589 -7.882 -10.597 1.00 0.00 CD HETATM 840 CD CD A 102 18.362 -8.000 -6.759 1.00 0.00 CD HETATM 841 CD CD A 103 20.510 -8.387 -9.938 1.00 0.00 CD HETATM 842 CD CD A 104 23.101 6.594 -10.945 1.00 0.00 CD HETATM 843 CD CD A 105 24.350 6.706 -14.478 1.00 0.00 CD HETATM 844 CD CD A 106 24.245 10.247 -12.439 1.00 0.00 CD