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+ 143:sc= -0.144 (180deg=-2.01!) USER MOD Single : A 2 SER OG : rot 41:sc= 0.121 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0.432 (180deg=0.369) USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= -0.0539 (180deg=-0.284) USER MOD Single : A 11 THR OG1 : rot -142:sc= 0.799 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.28 K(o=-1.3,f=-6.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 170:sc=-0.00762 (180deg=-0.121) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -31:sc= 0.774 USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= 1.14 (180deg=1.06) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 40 ASN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -36:sc= 0.896 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 99:sc= 0.0421 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+ 179:sc= 0.697 (180deg=0.678) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.090 -5.476 -13.203 1.00 0.00 N ATOM 2 CA GLY A 1 -1.826 -4.454 -14.253 1.00 0.00 C ATOM 3 C GLY A 1 -0.360 -4.380 -14.648 1.00 0.00 C ATOM 4 O GLY A 1 0.386 -5.359 -14.510 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.820 -5.124 -12.552 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.420 -6.355 -13.650 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.215 -5.664 -12.673 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.424 -4.683 -15.135 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.150 -3.478 -13.893 1.00 0.00 H new ATOM 7 N SER A 2 0.055 -3.227 -15.136 1.00 0.00 N ATOM 8 CA SER A 2 1.422 -3.026 -15.560 1.00 0.00 C ATOM 9 C SER A 2 2.340 -2.798 -14.364 1.00 0.00 C ATOM 10 O SER A 2 2.158 -1.848 -13.597 1.00 0.00 O ATOM 11 CB SER A 2 1.495 -1.849 -16.528 1.00 0.00 C ATOM 12 OG SER A 2 0.802 -0.727 -16.009 1.00 0.00 O ATOM 0 H SER A 2 -0.544 -2.409 -15.248 1.00 0.00 H new ATOM 0 HA SER A 2 1.763 -3.927 -16.071 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.537 -1.586 -16.710 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.066 -2.135 -17.488 1.00 0.00 H new ATOM 0 HG SER A 2 0.980 -0.648 -15.049 1.00 0.00 H new ATOM 18 N GLY A 3 3.318 -3.666 -14.206 1.00 0.00 N ATOM 19 CA GLY A 3 4.237 -3.531 -13.103 1.00 0.00 C ATOM 20 C GLY A 3 4.266 -4.751 -12.218 1.00 0.00 C ATOM 21 O GLY A 3 4.922 -4.751 -11.177 1.00 0.00 O ATOM 0 H GLY A 3 3.493 -4.461 -14.820 1.00 0.00 H new ATOM 0 HA2 GLY A 3 5.239 -3.344 -13.491 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.958 -2.662 -12.507 1.00 0.00 H new ATOM 25 N LYS A 4 3.540 -5.783 -12.611 1.00 0.00 N ATOM 26 CA LYS A 4 3.537 -7.021 -11.859 1.00 0.00 C ATOM 27 C LYS A 4 4.783 -7.821 -12.174 1.00 0.00 C ATOM 28 O LYS A 4 4.893 -8.420 -13.247 1.00 0.00 O ATOM 29 CB LYS A 4 2.295 -7.850 -12.167 1.00 0.00 C ATOM 30 CG LYS A 4 0.995 -7.223 -11.703 1.00 0.00 C ATOM 31 CD LYS A 4 -0.183 -8.146 -11.964 1.00 0.00 C ATOM 32 CE LYS A 4 -0.378 -8.398 -13.453 1.00 0.00 C ATOM 33 NZ LYS A 4 -1.486 -9.342 -13.715 1.00 0.00 N ATOM 0 H LYS A 4 2.949 -5.787 -13.442 1.00 0.00 H new ATOM 0 HA LYS A 4 3.525 -6.773 -10.798 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.241 -8.016 -13.243 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.400 -8.829 -11.698 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.056 -6.999 -10.638 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.840 -6.276 -12.220 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.023 -9.095 -11.452 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.089 -7.707 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.580 -7.453 -13.957 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.544 -8.795 -13.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.585 -9.486 -14.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.282 -10.253 -13.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.372 -8.952 -13.333 1.00 0.00 H new ATOM 47 N GLY A 5 5.718 -7.813 -11.257 1.00 0.00 N ATOM 48 CA GLY A 5 6.943 -8.536 -11.451 1.00 0.00 C ATOM 49 C GLY A 5 8.154 -7.658 -11.262 1.00 0.00 C ATOM 50 O GLY A 5 8.211 -6.542 -11.782 1.00 0.00 O ATOM 0 H GLY A 5 5.651 -7.313 -10.370 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.987 -9.370 -10.750 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.957 -8.962 -12.454 1.00 0.00 H new ATOM 54 N LYS A 6 9.113 -8.145 -10.506 1.00 0.00 N ATOM 55 CA LYS A 6 10.341 -7.409 -10.267 1.00 0.00 C ATOM 56 C LYS A 6 11.382 -7.771 -11.311 1.00 0.00 C ATOM 57 O LYS A 6 12.293 -6.996 -11.585 1.00 0.00 O ATOM 58 CB LYS A 6 10.889 -7.705 -8.858 1.00 0.00 C ATOM 59 CG LYS A 6 11.081 -9.189 -8.575 1.00 0.00 C ATOM 60 CD LYS A 6 11.707 -9.454 -7.207 1.00 0.00 C ATOM 61 CE LYS A 6 13.233 -9.565 -7.276 1.00 0.00 C ATOM 62 NZ LYS A 6 13.907 -8.255 -7.473 1.00 0.00 N ATOM 0 H LYS A 6 9.068 -9.053 -10.043 1.00 0.00 H new ATOM 0 HA LYS A 6 10.119 -6.344 -10.338 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.844 -7.194 -8.734 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.206 -7.288 -8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.116 -9.693 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.714 -9.623 -9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.434 -8.650 -6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.296 -10.376 -6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.600 -10.020 -6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.506 -10.233 -8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.938 -8.385 -7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.648 -7.868 -8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.607 -7.595 -6.727 1.00 0.00 H new ATOM 76 N GLY A 7 11.221 -8.944 -11.907 1.00 0.00 N ATOM 77 CA GLY A 7 12.195 -9.437 -12.848 1.00 0.00 C ATOM 78 C GLY A 7 11.870 -9.129 -14.284 1.00 0.00 C ATOM 79 O GLY A 7 11.278 -9.951 -14.983 1.00 0.00 O ATOM 0 H GLY A 7 10.426 -9.564 -11.751 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.168 -9.008 -12.606 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.285 -10.517 -12.730 1.00 0.00 H new ATOM 83 N GLU A 8 12.260 -7.951 -14.729 1.00 0.00 N ATOM 84 CA GLU A 8 12.082 -7.566 -16.114 1.00 0.00 C ATOM 85 C GLU A 8 13.285 -8.074 -16.911 1.00 0.00 C ATOM 86 O GLU A 8 13.137 -8.687 -17.965 1.00 0.00 O ATOM 87 CB GLU A 8 11.939 -6.035 -16.216 1.00 0.00 C ATOM 88 CG GLU A 8 11.417 -5.513 -17.556 1.00 0.00 C ATOM 89 CD GLU A 8 12.461 -5.503 -18.651 1.00 0.00 C ATOM 90 OE1 GLU A 8 12.400 -6.370 -19.545 1.00 0.00 O ATOM 91 OE2 GLU A 8 13.340 -4.618 -18.630 1.00 0.00 O ATOM 0 H GLU A 8 12.705 -7.241 -14.147 1.00 0.00 H new ATOM 0 HA GLU A 8 11.173 -8.006 -16.525 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.268 -5.696 -15.427 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.912 -5.582 -16.023 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.576 -6.129 -17.873 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.037 -4.501 -17.419 1.00 0.00 H new ATOM 98 N LYS A 9 14.473 -7.832 -16.369 1.00 0.00 N ATOM 99 CA LYS A 9 15.730 -8.299 -16.961 1.00 0.00 C ATOM 100 C LYS A 9 16.647 -8.809 -15.875 1.00 0.00 C ATOM 101 O LYS A 9 17.873 -8.838 -16.030 1.00 0.00 O ATOM 102 CB LYS A 9 16.426 -7.179 -17.714 1.00 0.00 C ATOM 103 CG LYS A 9 15.803 -6.854 -19.064 1.00 0.00 C ATOM 104 CD LYS A 9 16.649 -5.868 -19.863 1.00 0.00 C ATOM 105 CE LYS A 9 18.001 -6.464 -20.257 1.00 0.00 C ATOM 106 NZ LYS A 9 17.855 -7.696 -21.073 1.00 0.00 N ATOM 0 H LYS A 9 14.596 -7.305 -15.504 1.00 0.00 H new ATOM 0 HA LYS A 9 15.498 -9.101 -17.661 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.417 -6.281 -17.097 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.471 -7.452 -17.865 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.680 -7.773 -19.637 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.807 -6.437 -18.913 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.108 -5.570 -20.761 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.808 -4.965 -19.273 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.572 -5.724 -20.818 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.572 -6.692 -19.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.772 -7.941 -21.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.535 -8.478 -20.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.156 -7.533 -21.826 1.00 0.00 H new ATOM 120 N CYS A 10 16.049 -9.215 -14.787 1.00 0.00 N ATOM 121 CA CYS A 10 16.780 -9.661 -13.621 1.00 0.00 C ATOM 122 C CYS A 10 17.400 -11.028 -13.815 1.00 0.00 C ATOM 123 O CYS A 10 17.065 -11.763 -14.751 1.00 0.00 O ATOM 124 CB CYS A 10 15.860 -9.674 -12.425 1.00 0.00 C ATOM 125 SG CYS A 10 14.992 -8.126 -12.202 1.00 0.00 S ATOM 0 H CYS A 10 15.035 -9.248 -14.680 1.00 0.00 H new ATOM 0 HA CYS A 10 17.599 -8.960 -13.457 1.00 0.00 H new ATOM 0 HB2 CYS A 10 15.134 -10.479 -12.539 1.00 0.00 H new ATOM 0 HB3 CYS A 10 16.440 -9.893 -11.528 1.00 0.00 H new ATOM 130 N THR A 11 18.297 -11.355 -12.921 1.00 0.00 N ATOM 131 CA THR A 11 18.992 -12.607 -12.947 1.00 0.00 C ATOM 132 C THR A 11 18.237 -13.643 -12.136 1.00 0.00 C ATOM 133 O THR A 11 17.257 -13.318 -11.458 1.00 0.00 O ATOM 134 CB THR A 11 20.389 -12.436 -12.352 1.00 0.00 C ATOM 135 OG1 THR A 11 20.274 -12.064 -10.965 1.00 0.00 O ATOM 136 CG2 THR A 11 21.141 -11.357 -13.103 1.00 0.00 C ATOM 0 H THR A 11 18.566 -10.748 -12.146 1.00 0.00 H new ATOM 0 HA THR A 11 19.068 -12.940 -13.982 1.00 0.00 H new ATOM 0 HB THR A 11 20.934 -13.376 -12.437 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.974 -11.415 -10.741 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.136 -11.241 -12.673 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.230 -11.638 -14.152 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.599 -10.414 -13.025 1.00 0.00 H new ATOM 144 N SER A 12 18.695 -14.879 -12.187 1.00 0.00 N ATOM 145 CA SER A 12 18.084 -15.934 -11.415 1.00 0.00 C ATOM 146 C SER A 12 18.411 -15.753 -9.930 1.00 0.00 C ATOM 147 O SER A 12 17.703 -16.260 -9.059 1.00 0.00 O ATOM 148 CB SER A 12 18.566 -17.293 -11.916 1.00 0.00 C ATOM 149 OG SER A 12 18.339 -17.419 -13.317 1.00 0.00 O ATOM 0 H SER A 12 19.489 -15.173 -12.756 1.00 0.00 H new ATOM 0 HA SER A 12 17.002 -15.887 -11.536 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.628 -17.410 -11.702 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.044 -18.089 -11.384 1.00 0.00 H new ATOM 0 HG SER A 12 18.655 -18.295 -13.622 1.00 0.00 H new ATOM 155 N ALA A 13 19.471 -14.997 -9.656 1.00 0.00 N ATOM 156 CA ALA A 13 19.900 -14.728 -8.296 1.00 0.00 C ATOM 157 C ALA A 13 19.037 -13.648 -7.660 1.00 0.00 C ATOM 158 O ALA A 13 18.696 -13.728 -6.482 1.00 0.00 O ATOM 159 CB ALA A 13 21.358 -14.321 -8.281 1.00 0.00 C ATOM 0 H ALA A 13 20.051 -14.558 -10.371 1.00 0.00 H new ATOM 0 HA ALA A 13 19.785 -15.640 -7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.670 -14.121 -7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 13 21.965 -15.127 -8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.491 -13.421 -8.882 1.00 0.00 H new ATOM 165 N CYS A 14 18.677 -12.640 -8.455 1.00 0.00 N ATOM 166 CA CYS A 14 17.818 -11.547 -7.989 1.00 0.00 C ATOM 167 C CYS A 14 16.413 -12.074 -7.694 1.00 0.00 C ATOM 168 O CYS A 14 15.646 -11.463 -6.954 1.00 0.00 O ATOM 169 CB CYS A 14 17.759 -10.436 -9.046 1.00 0.00 C ATOM 170 SG CYS A 14 16.828 -8.954 -8.556 1.00 0.00 S ATOM 0 H CYS A 14 18.968 -12.556 -9.429 1.00 0.00 H new ATOM 0 HA CYS A 14 18.237 -11.134 -7.071 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.778 -10.140 -9.297 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.313 -10.843 -9.954 1.00 0.00 H new ATOM 175 N ARG A 15 16.087 -13.227 -8.284 1.00 0.00 N ATOM 176 CA ARG A 15 14.797 -13.875 -8.059 1.00 0.00 C ATOM 177 C ARG A 15 14.703 -14.363 -6.625 1.00 0.00 C ATOM 178 O ARG A 15 13.613 -14.500 -6.069 1.00 0.00 O ATOM 179 CB ARG A 15 14.622 -15.068 -9.003 1.00 0.00 C ATOM 180 CG ARG A 15 14.687 -14.722 -10.475 1.00 0.00 C ATOM 181 CD ARG A 15 13.595 -13.751 -10.866 1.00 0.00 C ATOM 182 NE ARG A 15 13.591 -13.486 -12.301 1.00 0.00 N ATOM 183 CZ ARG A 15 12.549 -12.987 -12.960 1.00 0.00 C ATOM 184 NH1 ARG A 15 11.437 -12.677 -12.310 1.00 0.00 N ATOM 185 NH2 ARG A 15 12.619 -12.793 -14.268 1.00 0.00 N ATOM 0 H ARG A 15 16.703 -13.731 -8.923 1.00 0.00 H new ATOM 0 HA ARG A 15 14.011 -13.145 -8.253 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.394 -15.805 -8.782 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.662 -15.540 -8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 15 15.660 -14.288 -10.705 1.00 0.00 H new ATOM 0 HG3 ARG A 15 14.595 -15.632 -11.068 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.627 -14.154 -10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.730 -12.815 -10.324 1.00 0.00 H new ATOM 0 HE ARG A 15 14.437 -13.696 -12.830 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.379 -12.821 -11.302 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.639 -12.294 -12.818 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.474 -13.026 -14.773 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.818 -12.410 -14.770 1.00 0.00 H new ATOM 199 N SER A 16 15.849 -14.623 -6.036 1.00 0.00 N ATOM 200 CA SER A 16 15.918 -15.114 -4.682 1.00 0.00 C ATOM 201 C SER A 16 15.893 -13.949 -3.703 1.00 0.00 C ATOM 202 O SER A 16 16.399 -12.870 -4.003 1.00 0.00 O ATOM 203 CB SER A 16 17.190 -15.943 -4.496 1.00 0.00 C ATOM 204 OG SER A 16 17.270 -16.981 -5.469 1.00 0.00 O ATOM 0 H SER A 16 16.757 -14.499 -6.483 1.00 0.00 H new ATOM 0 HA SER A 16 15.054 -15.749 -4.486 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.064 -15.297 -4.576 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.203 -16.376 -3.496 1.00 0.00 H new ATOM 0 HG SER A 16 18.092 -17.496 -5.331 1.00 0.00 H new ATOM 210 N GLU A 17 15.300 -14.161 -2.543 1.00 0.00 N ATOM 211 CA GLU A 17 15.212 -13.117 -1.540 1.00 0.00 C ATOM 212 C GLU A 17 15.631 -13.639 -0.166 1.00 0.00 C ATOM 213 O GLU A 17 15.140 -14.671 0.290 1.00 0.00 O ATOM 214 CB GLU A 17 13.805 -12.516 -1.501 1.00 0.00 C ATOM 215 CG GLU A 17 12.696 -13.531 -1.315 1.00 0.00 C ATOM 216 CD GLU A 17 11.333 -12.892 -1.347 1.00 0.00 C ATOM 217 OE1 GLU A 17 10.746 -12.785 -2.446 1.00 0.00 O ATOM 218 OE2 GLU A 17 10.842 -12.473 -0.282 1.00 0.00 O ATOM 0 H GLU A 17 14.872 -15.047 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 17 15.906 -12.323 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.756 -11.789 -0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.630 -11.971 -2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.761 -14.286 -2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.832 -14.046 -0.364 1.00 0.00 H new ATOM 225 N PRO A 18 16.585 -12.954 0.499 1.00 0.00 N ATOM 226 CA PRO A 18 17.243 -11.747 -0.043 1.00 0.00 C ATOM 227 C PRO A 18 18.037 -12.041 -1.313 1.00 0.00 C ATOM 228 O PRO A 18 18.385 -13.201 -1.585 1.00 0.00 O ATOM 229 CB PRO A 18 18.182 -11.311 1.083 1.00 0.00 C ATOM 230 CG PRO A 18 18.383 -12.536 1.906 1.00 0.00 C ATOM 231 CD PRO A 18 17.093 -13.297 1.832 1.00 0.00 C ATOM 0 HA PRO A 18 16.518 -10.985 -0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 18 19.128 -10.940 0.688 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.745 -10.505 1.673 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.211 -13.133 1.523 1.00 0.00 H new ATOM 0 HG3 PRO A 18 18.626 -12.278 2.937 1.00 0.00 H new ATOM 0 HD2 PRO A 18 17.250 -14.370 1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 18 16.401 -12.995 2.618 1.00 0.00 H new ATOM 239 N CYS A 19 18.314 -10.987 -2.073 1.00 0.00 N ATOM 240 CA CYS A 19 18.996 -11.094 -3.359 1.00 0.00 C ATOM 241 C CYS A 19 20.307 -11.869 -3.253 1.00 0.00 C ATOM 242 O CYS A 19 20.983 -11.836 -2.224 1.00 0.00 O ATOM 243 CB CYS A 19 19.258 -9.712 -3.922 1.00 0.00 C ATOM 244 SG CYS A 19 19.843 -9.727 -5.620 1.00 0.00 S ATOM 0 H CYS A 19 18.071 -10.031 -1.814 1.00 0.00 H new ATOM 0 HA CYS A 19 18.341 -11.649 -4.031 1.00 0.00 H new ATOM 0 HB2 CYS A 19 18.340 -9.127 -3.868 1.00 0.00 H new ATOM 0 HB3 CYS A 19 19.995 -9.208 -3.297 1.00 0.00 H new ATOM 249 N GLN A 20 20.670 -12.555 -4.326 1.00 0.00 N ATOM 250 CA GLN A 20 21.862 -13.384 -4.321 1.00 0.00 C ATOM 251 C GLN A 20 22.859 -12.996 -5.416 1.00 0.00 C ATOM 252 O GLN A 20 23.783 -13.760 -5.706 1.00 0.00 O ATOM 253 CB GLN A 20 21.472 -14.855 -4.463 1.00 0.00 C ATOM 254 CG GLN A 20 20.639 -15.391 -3.307 1.00 0.00 C ATOM 255 CD GLN A 20 21.413 -15.468 -2.000 1.00 0.00 C ATOM 256 OE1 GLN A 20 22.320 -14.680 -1.746 1.00 0.00 O ATOM 257 NE2 GLN A 20 21.061 -16.425 -1.169 1.00 0.00 N ATOM 0 H GLN A 20 20.157 -12.553 -5.208 1.00 0.00 H new ATOM 0 HA GLN A 20 22.362 -13.222 -3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.913 -14.984 -5.390 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.379 -15.453 -4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.767 -14.752 -3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.270 -16.384 -3.563 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.302 -17.061 -1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.547 -16.531 -0.278 1.00 0.00 H new ATOM 266 N CYS A 21 22.679 -11.822 -6.022 1.00 0.00 N ATOM 267 CA CYS A 21 23.607 -11.353 -7.059 1.00 0.00 C ATOM 268 C CYS A 21 25.010 -11.192 -6.502 1.00 0.00 C ATOM 269 O CYS A 21 25.911 -11.953 -6.853 1.00 0.00 O ATOM 270 CB CYS A 21 23.138 -10.033 -7.669 1.00 0.00 C ATOM 271 SG CYS A 21 21.719 -10.184 -8.768 1.00 0.00 S ATOM 0 H CYS A 21 21.910 -11.183 -5.818 1.00 0.00 H new ATOM 0 HA CYS A 21 23.624 -12.110 -7.843 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.886 -9.343 -6.863 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.965 -9.588 -8.222 1.00 0.00 H new ATOM 276 N GLY A 22 25.184 -10.218 -5.615 1.00 0.00 N ATOM 277 CA GLY A 22 26.486 -9.959 -5.034 1.00 0.00 C ATOM 278 C GLY A 22 27.522 -9.604 -6.080 1.00 0.00 C ATOM 279 O GLY A 22 27.617 -8.452 -6.509 1.00 0.00 O ATOM 0 H GLY A 22 24.441 -9.601 -5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.405 -9.144 -4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.817 -10.839 -4.482 1.00 0.00 H new ATOM 283 N SER A 23 28.282 -10.597 -6.495 1.00 0.00 N ATOM 284 CA SER A 23 29.302 -10.417 -7.501 1.00 0.00 C ATOM 285 C SER A 23 28.737 -10.686 -8.899 1.00 0.00 C ATOM 286 O SER A 23 29.186 -10.096 -9.885 1.00 0.00 O ATOM 287 CB SER A 23 30.484 -11.357 -7.212 1.00 0.00 C ATOM 288 OG SER A 23 31.494 -11.253 -8.208 1.00 0.00 O ATOM 0 H SER A 23 28.208 -11.551 -6.142 1.00 0.00 H new ATOM 0 HA SER A 23 29.649 -9.384 -7.469 1.00 0.00 H new ATOM 0 HB2 SER A 23 30.909 -11.119 -6.237 1.00 0.00 H new ATOM 0 HB3 SER A 23 30.127 -12.386 -7.162 1.00 0.00 H new ATOM 0 HG SER A 23 32.230 -11.863 -7.992 1.00 0.00 H new ATOM 294 N LYS A 24 27.736 -11.557 -8.982 1.00 0.00 N ATOM 295 CA LYS A 24 27.167 -11.929 -10.268 1.00 0.00 C ATOM 296 C LYS A 24 25.833 -11.251 -10.537 1.00 0.00 C ATOM 297 O LYS A 24 24.773 -11.876 -10.444 1.00 0.00 O ATOM 298 CB LYS A 24 27.014 -13.447 -10.400 1.00 0.00 C ATOM 299 CG LYS A 24 28.324 -14.203 -10.488 1.00 0.00 C ATOM 300 CD LYS A 24 28.086 -15.670 -10.813 1.00 0.00 C ATOM 301 CE LYS A 24 29.393 -16.436 -10.937 1.00 0.00 C ATOM 302 NZ LYS A 24 30.140 -16.474 -9.657 1.00 0.00 N ATOM 0 H LYS A 24 27.306 -12.015 -8.178 1.00 0.00 H new ATOM 0 HA LYS A 24 27.876 -11.579 -11.019 1.00 0.00 H new ATOM 0 HB2 LYS A 24 26.451 -13.819 -9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.423 -13.664 -11.290 1.00 0.00 H new ATOM 0 HG2 LYS A 24 28.956 -13.755 -11.255 1.00 0.00 H new ATOM 0 HG3 LYS A 24 28.861 -14.119 -9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.472 -16.121 -10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 24 27.527 -15.750 -11.745 1.00 0.00 H new ATOM 0 HE2 LYS A 24 29.186 -17.454 -11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 24 30.013 -15.973 -11.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.933 -17.142 -9.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 30.507 -15.525 -9.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.505 -16.782 -8.893 1.00 0.00 H new ATOM 316 N CYS A 25 25.882 -9.975 -10.839 1.00 0.00 N ATOM 317 CA CYS A 25 24.694 -9.252 -11.232 1.00 0.00 C ATOM 318 C CYS A 25 24.697 -9.056 -12.733 1.00 0.00 C ATOM 319 O CYS A 25 25.725 -8.731 -13.318 1.00 0.00 O ATOM 320 CB CYS A 25 24.595 -7.898 -10.543 1.00 0.00 C ATOM 321 SG CYS A 25 23.160 -6.928 -11.078 1.00 0.00 S ATOM 0 H CYS A 25 26.734 -9.414 -10.820 1.00 0.00 H new ATOM 0 HA CYS A 25 23.830 -9.842 -10.928 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.542 -8.049 -9.465 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.504 -7.330 -10.741 1.00 0.00 H new ATOM 326 N GLN A 26 23.557 -9.270 -13.345 1.00 0.00 N ATOM 327 CA GLN A 26 23.407 -9.125 -14.783 1.00 0.00 C ATOM 328 C GLN A 26 22.045 -8.539 -15.096 1.00 0.00 C ATOM 329 O GLN A 26 21.525 -8.696 -16.204 1.00 0.00 O ATOM 330 CB GLN A 26 23.564 -10.483 -15.478 1.00 0.00 C ATOM 331 CG GLN A 26 24.953 -11.088 -15.361 1.00 0.00 C ATOM 332 CD GLN A 26 25.102 -12.357 -16.160 1.00 0.00 C ATOM 333 OE1 GLN A 26 24.834 -13.455 -15.667 1.00 0.00 O ATOM 334 NE2 GLN A 26 25.527 -12.223 -17.395 1.00 0.00 N ATOM 0 H GLN A 26 22.702 -9.550 -12.864 1.00 0.00 H new ATOM 0 HA GLN A 26 24.183 -8.455 -15.152 1.00 0.00 H new ATOM 0 HB2 GLN A 26 22.840 -11.180 -15.056 1.00 0.00 H new ATOM 0 HB3 GLN A 26 23.318 -10.368 -16.534 1.00 0.00 H new ATOM 0 HG2 GLN A 26 25.691 -10.361 -15.699 1.00 0.00 H new ATOM 0 HG3 GLN A 26 25.168 -11.296 -14.313 1.00 0.00 H new ATOM 0 HE21 GLN A 26 25.738 -11.296 -17.764 1.00 0.00 H new ATOM 0 HE22 GLN A 26 25.647 -13.046 -17.985 1.00 0.00 H new ATOM 343 N CYS A 27 21.472 -7.861 -14.113 1.00 0.00 N ATOM 344 CA CYS A 27 20.157 -7.273 -14.261 1.00 0.00 C ATOM 345 C CYS A 27 20.173 -6.110 -15.225 1.00 0.00 C ATOM 346 O CYS A 27 21.140 -5.352 -15.294 1.00 0.00 O ATOM 347 CB CYS A 27 19.610 -6.820 -12.910 1.00 0.00 C ATOM 348 SG CYS A 27 19.217 -8.171 -11.789 1.00 0.00 S ATOM 0 H CYS A 27 21.903 -7.706 -13.201 1.00 0.00 H new ATOM 0 HA CYS A 27 19.503 -8.044 -14.669 1.00 0.00 H new ATOM 0 HB2 CYS A 27 20.342 -6.168 -12.434 1.00 0.00 H new ATOM 0 HB3 CYS A 27 18.712 -6.225 -13.074 1.00 0.00 H new ATOM 353 N GLY A 28 19.108 -5.991 -15.981 1.00 0.00 N ATOM 354 CA GLY A 28 18.971 -4.893 -16.891 1.00 0.00 C ATOM 355 C GLY A 28 18.446 -3.665 -16.185 1.00 0.00 C ATOM 356 O GLY A 28 18.333 -3.653 -14.960 1.00 0.00 O ATOM 0 H GLY A 28 18.325 -6.645 -15.980 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.936 -4.670 -17.345 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.294 -5.169 -17.700 1.00 0.00 H new ATOM 360 N GLU A 29 18.108 -2.640 -16.945 1.00 0.00 N ATOM 361 CA GLU A 29 17.569 -1.412 -16.373 1.00 0.00 C ATOM 362 C GLU A 29 16.225 -1.680 -15.688 1.00 0.00 C ATOM 363 O GLU A 29 15.797 -0.927 -14.802 1.00 0.00 O ATOM 364 CB GLU A 29 17.434 -0.328 -17.453 1.00 0.00 C ATOM 365 CG GLU A 29 16.622 -0.750 -18.672 1.00 0.00 C ATOM 366 CD GLU A 29 16.528 0.346 -19.714 1.00 0.00 C ATOM 367 OE1 GLU A 29 17.512 0.550 -20.467 1.00 0.00 O ATOM 368 OE2 GLU A 29 15.473 1.009 -19.792 1.00 0.00 O ATOM 0 H GLU A 29 18.196 -2.630 -17.961 1.00 0.00 H new ATOM 0 HA GLU A 29 18.264 -1.048 -15.616 1.00 0.00 H new ATOM 0 HB2 GLU A 29 16.970 0.553 -17.010 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.431 -0.033 -17.780 1.00 0.00 H new ATOM 0 HG2 GLU A 29 17.077 -1.634 -19.119 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.618 -1.033 -18.356 1.00 0.00 H new ATOM 375 N GLY A 30 15.577 -2.766 -16.086 1.00 0.00 N ATOM 376 CA GLY A 30 14.314 -3.145 -15.497 1.00 0.00 C ATOM 377 C GLY A 30 14.491 -3.927 -14.209 1.00 0.00 C ATOM 378 O GLY A 30 14.117 -5.099 -14.127 1.00 0.00 O ATOM 0 H GLY A 30 15.911 -3.396 -16.815 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.725 -2.250 -15.298 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.749 -3.746 -16.210 1.00 0.00 H new ATOM 382 N CYS A 31 15.074 -3.284 -13.214 1.00 0.00 N ATOM 383 CA CYS A 31 15.278 -3.896 -11.920 1.00 0.00 C ATOM 384 C CYS A 31 14.843 -2.942 -10.824 1.00 0.00 C ATOM 385 O CYS A 31 15.254 -1.778 -10.800 1.00 0.00 O ATOM 386 CB CYS A 31 16.745 -4.290 -11.724 1.00 0.00 C ATOM 387 SG CYS A 31 17.096 -5.055 -10.118 1.00 0.00 S ATOM 0 H CYS A 31 15.417 -2.326 -13.283 1.00 0.00 H new ATOM 0 HA CYS A 31 14.674 -4.802 -11.869 1.00 0.00 H new ATOM 0 HB2 CYS A 31 17.033 -4.982 -12.515 1.00 0.00 H new ATOM 0 HB3 CYS A 31 17.367 -3.402 -11.835 1.00 0.00 H new ATOM 392 N THR A 32 14.012 -3.428 -9.928 1.00 0.00 N ATOM 393 CA THR A 32 13.505 -2.618 -8.843 1.00 0.00 C ATOM 394 C THR A 32 14.170 -3.012 -7.519 1.00 0.00 C ATOM 395 O THR A 32 13.773 -2.551 -6.444 1.00 0.00 O ATOM 396 CB THR A 32 11.959 -2.746 -8.726 1.00 0.00 C ATOM 397 OG1 THR A 32 11.455 -1.870 -7.706 1.00 0.00 O ATOM 398 CG2 THR A 32 11.555 -4.179 -8.409 1.00 0.00 C ATOM 0 H THR A 32 13.671 -4.389 -9.931 1.00 0.00 H new ATOM 0 HA THR A 32 13.747 -1.578 -9.061 1.00 0.00 H new ATOM 0 HB THR A 32 11.529 -2.462 -9.687 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.126 -1.772 -6.998 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.470 -4.243 -8.332 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.902 -4.839 -9.204 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.004 -4.483 -7.463 1.00 0.00 H new ATOM 406 N CYS A 33 15.191 -3.848 -7.608 1.00 0.00 N ATOM 407 CA CYS A 33 15.909 -4.299 -6.433 1.00 0.00 C ATOM 408 C CYS A 33 17.090 -3.377 -6.154 1.00 0.00 C ATOM 409 O CYS A 33 17.887 -3.086 -7.043 1.00 0.00 O ATOM 410 CB CYS A 33 16.391 -5.742 -6.626 1.00 0.00 C ATOM 411 SG CYS A 33 17.099 -6.503 -5.141 1.00 0.00 S ATOM 0 H CYS A 33 15.541 -4.228 -8.487 1.00 0.00 H new ATOM 0 HA CYS A 33 15.235 -4.271 -5.577 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.552 -6.350 -6.965 1.00 0.00 H new ATOM 0 HB3 CYS A 33 17.138 -5.759 -7.419 1.00 0.00 H new ATOM 416 N ALA A 34 17.193 -2.910 -4.925 1.00 0.00 N ATOM 417 CA ALA A 34 18.269 -2.012 -4.534 1.00 0.00 C ATOM 418 C ALA A 34 19.409 -2.776 -3.873 1.00 0.00 C ATOM 419 O ALA A 34 20.358 -2.179 -3.356 1.00 0.00 O ATOM 420 CB ALA A 34 17.738 -0.931 -3.602 1.00 0.00 C ATOM 0 H ALA A 34 16.542 -3.138 -4.174 1.00 0.00 H new ATOM 0 HA ALA A 34 18.662 -1.539 -5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.552 -0.265 -3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.963 -0.359 -4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.318 -1.394 -2.709 1.00 0.00 H new ATOM 426 N ALA A 35 19.317 -4.097 -3.891 1.00 0.00 N ATOM 427 CA ALA A 35 20.337 -4.938 -3.290 1.00 0.00 C ATOM 428 C ALA A 35 21.507 -5.133 -4.235 1.00 0.00 C ATOM 429 O ALA A 35 22.663 -5.175 -3.816 1.00 0.00 O ATOM 430 CB ALA A 35 19.753 -6.278 -2.889 1.00 0.00 C ATOM 0 H ALA A 35 18.544 -4.609 -4.316 1.00 0.00 H new ATOM 0 HA ALA A 35 20.703 -4.436 -2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.532 -6.895 -2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.951 -6.124 -2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.355 -6.780 -3.771 1.00 0.00 H new ATOM 436 N CYS A 36 21.206 -5.257 -5.503 1.00 0.00 N ATOM 437 CA CYS A 36 22.222 -5.450 -6.507 1.00 0.00 C ATOM 438 C CYS A 36 22.484 -4.160 -7.273 1.00 0.00 C ATOM 439 O CYS A 36 23.640 -3.819 -7.555 1.00 0.00 O ATOM 440 CB CYS A 36 21.787 -6.544 -7.456 1.00 0.00 C ATOM 441 SG CYS A 36 20.138 -6.283 -8.118 1.00 0.00 S ATOM 0 H CYS A 36 20.254 -5.227 -5.868 1.00 0.00 H new ATOM 0 HA CYS A 36 23.150 -5.741 -6.016 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.498 -6.607 -8.280 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.817 -7.502 -6.936 1.00 0.00 H new ATOM 446 N LYS A 37 21.414 -3.442 -7.598 1.00 0.00 N ATOM 447 CA LYS A 37 21.523 -2.199 -8.348 1.00 0.00 C ATOM 448 C LYS A 37 22.169 -1.120 -7.499 1.00 0.00 C ATOM 449 O LYS A 37 21.538 -0.544 -6.612 1.00 0.00 O ATOM 450 CB LYS A 37 20.148 -1.738 -8.848 1.00 0.00 C ATOM 451 CG LYS A 37 20.198 -0.495 -9.735 1.00 0.00 C ATOM 452 CD LYS A 37 18.831 -0.161 -10.324 1.00 0.00 C ATOM 453 CE LYS A 37 17.831 0.240 -9.249 1.00 0.00 C ATOM 454 NZ LYS A 37 16.507 0.588 -9.825 1.00 0.00 N ATOM 0 H LYS A 37 20.459 -3.702 -7.352 1.00 0.00 H new ATOM 0 HA LYS A 37 22.156 -2.382 -9.216 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.683 -2.552 -9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.509 -1.534 -7.989 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.559 0.352 -9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.912 -0.654 -10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.935 0.651 -11.044 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.450 -1.024 -10.870 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.714 -0.579 -8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.220 1.092 -8.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.909 1.015 -9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.634 1.266 -10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.049 -0.273 -10.187 1.00 0.00 H new ATOM 468 N THR A 38 23.428 -0.864 -7.768 1.00 0.00 N ATOM 469 CA THR A 38 24.170 0.124 -7.036 1.00 0.00 C ATOM 470 C THR A 38 24.378 1.372 -7.889 1.00 0.00 C ATOM 471 O THR A 38 24.116 1.368 -9.097 1.00 0.00 O ATOM 472 CB THR A 38 25.538 -0.438 -6.552 1.00 0.00 C ATOM 473 OG1 THR A 38 26.239 0.545 -5.770 1.00 0.00 O ATOM 474 CG2 THR A 38 26.402 -0.865 -7.733 1.00 0.00 C ATOM 0 H THR A 38 23.961 -1.335 -8.499 1.00 0.00 H new ATOM 0 HA THR A 38 23.589 0.393 -6.154 1.00 0.00 H new ATOM 0 HB THR A 38 25.338 -1.312 -5.932 1.00 0.00 H new ATOM 0 HG1 THR A 38 27.096 0.175 -5.472 1.00 0.00 H new ATOM 0 HG21 THR A 38 27.352 -1.254 -7.367 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.886 -1.641 -8.299 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.586 -0.006 -8.379 1.00 0.00 H new ATOM 482 N CYS A 39 24.843 2.426 -7.264 1.00 0.00 N ATOM 483 CA CYS A 39 25.055 3.683 -7.930 1.00 0.00 C ATOM 484 C CYS A 39 26.204 4.422 -7.267 1.00 0.00 C ATOM 485 O CYS A 39 26.389 4.318 -6.055 1.00 0.00 O ATOM 486 CB CYS A 39 23.775 4.508 -7.860 1.00 0.00 C ATOM 487 SG CYS A 39 23.909 6.150 -8.557 1.00 0.00 S ATOM 0 H CYS A 39 25.086 2.434 -6.273 1.00 0.00 H new ATOM 0 HA CYS A 39 25.310 3.513 -8.976 1.00 0.00 H new ATOM 0 HB2 CYS A 39 22.983 3.970 -8.380 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.470 4.594 -6.817 1.00 0.00 H new ATOM 492 N ASN A 40 26.989 5.148 -8.052 1.00 0.00 N ATOM 493 CA ASN A 40 28.124 5.878 -7.499 1.00 0.00 C ATOM 494 C ASN A 40 27.819 7.350 -7.279 1.00 0.00 C ATOM 495 O ASN A 40 28.467 7.993 -6.446 1.00 0.00 O ATOM 496 CB ASN A 40 29.386 5.720 -8.351 1.00 0.00 C ATOM 497 CG ASN A 40 29.991 4.331 -8.255 1.00 0.00 C ATOM 498 OD1 ASN A 40 30.548 3.950 -7.226 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.909 3.577 -9.328 1.00 0.00 N ATOM 0 H ASN A 40 26.865 5.247 -9.060 1.00 0.00 H new ATOM 0 HA ASN A 40 28.314 5.428 -6.525 1.00 0.00 H new ATOM 0 HB2 ASN A 40 29.145 5.935 -9.392 1.00 0.00 H new ATOM 0 HB3 ASN A 40 30.126 6.456 -8.036 1.00 0.00 H new ATOM 0 HD21 ASN A 40 30.315 2.641 -9.326 1.00 0.00 H new ATOM 0 HD22 ASN A 40 29.439 3.927 -10.163 1.00 0.00 H new ATOM 506 N CYS A 41 26.853 7.897 -8.013 1.00 0.00 N ATOM 507 CA CYS A 41 26.486 9.289 -7.827 1.00 0.00 C ATOM 508 C CYS A 41 25.867 9.467 -6.442 1.00 0.00 C ATOM 509 O CYS A 41 25.120 8.605 -5.967 1.00 0.00 O ATOM 510 CB CYS A 41 25.535 9.766 -8.937 1.00 0.00 C ATOM 511 SG CYS A 41 26.243 9.655 -10.623 1.00 0.00 S ATOM 0 H CYS A 41 26.321 7.403 -8.730 1.00 0.00 H new ATOM 0 HA CYS A 41 27.381 9.907 -7.893 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.621 9.173 -8.898 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.253 10.800 -8.740 1.00 0.00 H new ATOM 516 N THR A 42 26.197 10.558 -5.788 1.00 0.00 N ATOM 517 CA THR A 42 25.756 10.784 -4.427 1.00 0.00 C ATOM 518 C THR A 42 24.795 11.954 -4.341 1.00 0.00 C ATOM 519 O THR A 42 24.526 12.624 -5.336 1.00 0.00 O ATOM 520 CB THR A 42 26.955 11.057 -3.498 1.00 0.00 C ATOM 521 OG1 THR A 42 27.686 12.194 -3.973 1.00 0.00 O ATOM 522 CG2 THR A 42 27.881 9.853 -3.429 1.00 0.00 C ATOM 0 H THR A 42 26.771 11.306 -6.177 1.00 0.00 H new ATOM 0 HA THR A 42 25.243 9.877 -4.107 1.00 0.00 H new ATOM 0 HB THR A 42 26.571 11.254 -2.497 1.00 0.00 H new ATOM 0 HG1 THR A 42 28.446 12.366 -3.379 1.00 0.00 H new ATOM 0 HG21 THR A 42 28.718 10.075 -2.766 1.00 0.00 H new ATOM 0 HG22 THR A 42 27.332 8.993 -3.045 1.00 0.00 H new ATOM 0 HG23 THR A 42 28.258 9.626 -4.426 1.00 0.00 H new ATOM 530 N SER A 43 24.296 12.210 -3.138 1.00 0.00 N ATOM 531 CA SER A 43 23.375 13.306 -2.895 1.00 0.00 C ATOM 532 C SER A 43 24.089 14.654 -3.012 1.00 0.00 C ATOM 533 O SER A 43 23.452 15.711 -3.014 1.00 0.00 O ATOM 534 CB SER A 43 22.736 13.147 -1.519 1.00 0.00 C ATOM 535 OG SER A 43 22.160 11.854 -1.383 1.00 0.00 O ATOM 0 H SER A 43 24.520 11.663 -2.307 1.00 0.00 H new ATOM 0 HA SER A 43 22.591 13.281 -3.652 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.486 13.301 -0.743 1.00 0.00 H new ATOM 0 HB3 SER A 43 21.970 13.909 -1.377 1.00 0.00 H new ATOM 0 HG SER A 43 21.756 11.768 -0.494 1.00 0.00 H new ATOM 541 N ASP A 44 25.410 14.605 -3.106 1.00 0.00 N ATOM 542 CA ASP A 44 26.216 15.797 -3.288 1.00 0.00 C ATOM 543 C ASP A 44 25.979 16.356 -4.679 1.00 0.00 C ATOM 544 O ASP A 44 25.855 17.568 -4.868 1.00 0.00 O ATOM 545 CB ASP A 44 27.700 15.467 -3.108 1.00 0.00 C ATOM 546 CG ASP A 44 28.594 16.685 -3.230 1.00 0.00 C ATOM 547 OD1 ASP A 44 28.920 17.290 -2.195 1.00 0.00 O ATOM 548 OD2 ASP A 44 28.985 17.040 -4.360 1.00 0.00 O ATOM 0 H ASP A 44 25.949 13.740 -3.058 1.00 0.00 H new ATOM 0 HA ASP A 44 25.931 16.538 -2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 44 27.849 15.009 -2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 44 27.996 14.729 -3.854 1.00 0.00 H new ATOM 553 N GLY A 45 25.891 15.459 -5.645 1.00 0.00 N ATOM 554 CA GLY A 45 25.667 15.852 -7.012 1.00 0.00 C ATOM 555 C GLY A 45 25.836 14.693 -7.966 1.00 0.00 C ATOM 556 O GLY A 45 26.621 13.775 -7.704 1.00 0.00 O ATOM 0 H GLY A 45 25.972 14.453 -5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 45 24.662 16.261 -7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 45 26.363 16.647 -7.280 1.00 0.00 H new ATOM 560 N CYS A 46 25.096 14.728 -9.059 1.00 0.00 N ATOM 561 CA CYS A 46 25.169 13.695 -10.079 1.00 0.00 C ATOM 562 C CYS A 46 26.505 13.785 -10.811 1.00 0.00 C ATOM 563 O CYS A 46 27.061 14.877 -10.979 1.00 0.00 O ATOM 564 CB CYS A 46 24.004 13.855 -11.064 1.00 0.00 C ATOM 565 SG CYS A 46 23.903 12.569 -12.334 1.00 0.00 S ATOM 0 H CYS A 46 24.428 15.471 -9.266 1.00 0.00 H new ATOM 0 HA CYS A 46 25.095 12.715 -9.608 1.00 0.00 H new ATOM 0 HB2 CYS A 46 23.070 13.865 -10.502 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.092 14.824 -11.554 1.00 0.00 H new ATOM 570 N LYS A 47 27.025 12.643 -11.227 1.00 0.00 N ATOM 571 CA LYS A 47 28.316 12.600 -11.898 1.00 0.00 C ATOM 572 C LYS A 47 28.185 12.130 -13.335 1.00 0.00 C ATOM 573 O LYS A 47 28.860 12.641 -14.231 1.00 0.00 O ATOM 574 CB LYS A 47 29.272 11.671 -11.142 1.00 0.00 C ATOM 575 CG LYS A 47 29.468 12.042 -9.685 1.00 0.00 C ATOM 576 CD LYS A 47 30.063 13.428 -9.548 1.00 0.00 C ATOM 577 CE LYS A 47 30.168 13.844 -8.098 1.00 0.00 C ATOM 578 NZ LYS A 47 30.799 15.170 -7.962 1.00 0.00 N ATOM 0 H LYS A 47 26.576 11.734 -11.113 1.00 0.00 H new ATOM 0 HA LYS A 47 28.716 13.614 -11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.892 10.651 -11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.241 11.678 -11.642 1.00 0.00 H new ATOM 0 HG2 LYS A 47 28.511 12.001 -9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 47 30.122 11.313 -9.206 1.00 0.00 H new ATOM 0 HD2 LYS A 47 31.052 13.448 -10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 47 29.446 14.145 -10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 47 29.174 13.865 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 47 30.749 13.105 -7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 30.856 15.426 -6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 31.757 15.142 -8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 30.230 15.879 -8.468 1.00 0.00 H new ATOM 592 N CYS A 48 27.317 11.169 -13.554 1.00 0.00 N ATOM 593 CA CYS A 48 27.152 10.580 -14.869 1.00 0.00 C ATOM 594 C CYS A 48 26.377 11.514 -15.806 1.00 0.00 C ATOM 595 O CYS A 48 26.647 11.570 -17.007 1.00 0.00 O ATOM 596 CB CYS A 48 26.432 9.249 -14.738 1.00 0.00 C ATOM 597 SG CYS A 48 24.658 9.406 -14.500 1.00 0.00 S ATOM 0 H CYS A 48 26.710 10.775 -12.836 1.00 0.00 H new ATOM 0 HA CYS A 48 28.139 10.422 -15.304 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.618 8.656 -15.633 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.855 8.699 -13.897 1.00 0.00 H new ATOM 602 N GLY A 49 25.413 12.238 -15.252 1.00 0.00 N ATOM 603 CA GLY A 49 24.632 13.159 -16.050 1.00 0.00 C ATOM 604 C GLY A 49 23.196 12.702 -16.250 1.00 0.00 C ATOM 605 O GLY A 49 22.407 13.388 -16.896 1.00 0.00 O ATOM 0 H GLY A 49 25.159 12.203 -14.265 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.632 14.138 -15.570 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.107 13.281 -17.023 1.00 0.00 H new ATOM 609 N LYS A 50 22.850 11.550 -15.688 1.00 0.00 N ATOM 610 CA LYS A 50 21.489 11.018 -15.807 1.00 0.00 C ATOM 611 C LYS A 50 20.578 11.655 -14.768 1.00 0.00 C ATOM 612 O LYS A 50 19.391 11.335 -14.687 1.00 0.00 O ATOM 613 CB LYS A 50 21.478 9.495 -15.643 1.00 0.00 C ATOM 614 CG LYS A 50 22.292 8.739 -16.685 1.00 0.00 C ATOM 615 CD LYS A 50 21.682 8.835 -18.070 1.00 0.00 C ATOM 616 CE LYS A 50 22.483 8.018 -19.071 1.00 0.00 C ATOM 617 NZ LYS A 50 21.900 8.073 -20.431 1.00 0.00 N ATOM 0 H LYS A 50 23.487 10.965 -15.147 1.00 0.00 H new ATOM 0 HA LYS A 50 21.120 11.261 -16.803 1.00 0.00 H new ATOM 0 HB2 LYS A 50 21.860 9.247 -14.653 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.446 9.146 -15.684 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.307 9.136 -16.709 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.367 7.691 -16.395 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.652 8.479 -18.044 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.651 9.877 -18.387 1.00 0.00 H new ATOM 0 HE2 LYS A 50 23.508 8.387 -19.102 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.528 6.981 -18.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.478 7.502 -21.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.931 7.696 -20.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.881 9.059 -20.761 1.00 0.00 H new ATOM 631 N GLU A 51 21.157 12.554 -13.967 1.00 0.00 N ATOM 632 CA GLU A 51 20.431 13.294 -12.938 1.00 0.00 C ATOM 633 C GLU A 51 19.958 12.382 -11.818 1.00 0.00 C ATOM 634 O GLU A 51 18.784 12.405 -11.424 1.00 0.00 O ATOM 635 CB GLU A 51 19.263 14.067 -13.544 1.00 0.00 C ATOM 636 CG GLU A 51 19.692 15.149 -14.510 1.00 0.00 C ATOM 637 CD GLU A 51 18.523 15.799 -15.191 1.00 0.00 C ATOM 638 OE1 GLU A 51 17.826 16.608 -14.544 1.00 0.00 O ATOM 639 OE2 GLU A 51 18.292 15.508 -16.382 1.00 0.00 O ATOM 0 H GLU A 51 22.149 12.788 -14.017 1.00 0.00 H new ATOM 0 HA GLU A 51 21.125 14.012 -12.501 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.605 13.369 -14.062 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.680 14.518 -12.741 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.264 15.906 -13.974 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.355 14.720 -15.261 1.00 0.00 H new ATOM 646 N CYS A 52 20.869 11.595 -11.305 1.00 0.00 N ATOM 647 CA CYS A 52 20.588 10.711 -10.206 1.00 0.00 C ATOM 648 C CYS A 52 21.565 10.986 -9.082 1.00 0.00 C ATOM 649 O CYS A 52 22.671 11.468 -9.318 1.00 0.00 O ATOM 650 CB CYS A 52 20.694 9.267 -10.658 1.00 0.00 C ATOM 651 SG CYS A 52 22.260 8.868 -11.436 1.00 0.00 S ATOM 0 H CYS A 52 21.831 11.550 -11.641 1.00 0.00 H new ATOM 0 HA CYS A 52 19.573 10.885 -9.849 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.550 8.615 -9.797 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.886 9.054 -11.358 1.00 0.00 H new ATOM 656 N THR A 53 21.160 10.711 -7.872 1.00 0.00 N ATOM 657 CA THR A 53 22.003 10.963 -6.730 1.00 0.00 C ATOM 658 C THR A 53 22.008 9.771 -5.783 1.00 0.00 C ATOM 659 O THR A 53 22.046 9.927 -4.558 1.00 0.00 O ATOM 660 CB THR A 53 21.521 12.202 -5.979 1.00 0.00 C ATOM 661 OG1 THR A 53 20.110 12.105 -5.735 1.00 0.00 O ATOM 662 CG2 THR A 53 21.816 13.474 -6.764 1.00 0.00 C ATOM 0 H THR A 53 20.249 10.311 -7.649 1.00 0.00 H new ATOM 0 HA THR A 53 23.017 11.128 -7.094 1.00 0.00 H new ATOM 0 HB THR A 53 22.057 12.252 -5.031 1.00 0.00 H new ATOM 0 HG1 THR A 53 19.806 12.901 -5.251 1.00 0.00 H new ATOM 0 HG21 THR A 53 21.461 14.338 -6.203 1.00 0.00 H new ATOM 0 HG22 THR A 53 22.891 13.562 -6.924 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.308 13.433 -7.727 1.00 0.00 H new ATOM 670 N GLY A 54 22.003 8.585 -6.350 1.00 0.00 N ATOM 671 CA GLY A 54 21.956 7.382 -5.555 1.00 0.00 C ATOM 672 C GLY A 54 21.104 6.318 -6.211 1.00 0.00 C ATOM 673 O GLY A 54 20.297 6.638 -7.075 1.00 0.00 O ATOM 0 H GLY A 54 22.031 8.430 -7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 54 22.967 7.001 -5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.556 7.612 -4.568 1.00 0.00 H new ATOM 677 N PRO A 55 21.252 5.039 -5.802 1.00 0.00 N ATOM 678 CA PRO A 55 20.520 3.901 -6.403 1.00 0.00 C ATOM 679 C PRO A 55 19.008 4.123 -6.512 1.00 0.00 C ATOM 680 O PRO A 55 18.406 3.810 -7.536 1.00 0.00 O ATOM 681 CB PRO A 55 20.819 2.745 -5.448 1.00 0.00 C ATOM 682 CG PRO A 55 22.131 3.092 -4.840 1.00 0.00 C ATOM 683 CD PRO A 55 22.156 4.594 -4.722 1.00 0.00 C ATOM 0 HA PRO A 55 20.838 3.732 -7.432 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.043 2.647 -4.688 1.00 0.00 H new ATOM 0 HB3 PRO A 55 20.867 1.794 -5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 55 22.243 2.623 -3.863 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.954 2.737 -5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.807 4.926 -3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.163 4.990 -4.852 1.00 0.00 H new ATOM 691 N ASP A 56 18.407 4.672 -5.465 1.00 0.00 N ATOM 692 CA ASP A 56 16.958 4.898 -5.448 1.00 0.00 C ATOM 693 C ASP A 56 16.540 5.924 -6.496 1.00 0.00 C ATOM 694 O ASP A 56 15.513 5.772 -7.154 1.00 0.00 O ATOM 695 CB ASP A 56 16.492 5.347 -4.063 1.00 0.00 C ATOM 696 CG ASP A 56 14.987 5.527 -3.993 1.00 0.00 C ATOM 697 OD1 ASP A 56 14.515 6.685 -4.006 1.00 0.00 O ATOM 698 OD2 ASP A 56 14.268 4.512 -3.936 1.00 0.00 O ATOM 0 H ASP A 56 18.892 4.969 -4.618 1.00 0.00 H new ATOM 0 HA ASP A 56 16.480 3.949 -5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.803 4.611 -3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 56 16.981 6.286 -3.804 1.00 0.00 H new ATOM 703 N SER A 57 17.354 6.947 -6.671 1.00 0.00 N ATOM 704 CA SER A 57 17.060 8.000 -7.631 1.00 0.00 C ATOM 705 C SER A 57 17.709 7.681 -8.976 1.00 0.00 C ATOM 706 O SER A 57 17.717 8.509 -9.888 1.00 0.00 O ATOM 707 CB SER A 57 17.560 9.357 -7.100 1.00 0.00 C ATOM 708 OG SER A 57 17.277 10.409 -8.013 1.00 0.00 O ATOM 0 H SER A 57 18.228 7.074 -6.160 1.00 0.00 H new ATOM 0 HA SER A 57 15.981 8.059 -7.771 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.089 9.570 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.634 9.306 -6.923 1.00 0.00 H new ATOM 0 HG SER A 57 17.376 10.081 -8.931 1.00 0.00 H new ATOM 714 N CYS A 58 18.235 6.479 -9.089 1.00 0.00 N ATOM 715 CA CYS A 58 18.917 6.050 -10.285 1.00 0.00 C ATOM 716 C CYS A 58 18.007 5.179 -11.143 1.00 0.00 C ATOM 717 O CYS A 58 17.299 4.305 -10.631 1.00 0.00 O ATOM 718 CB CYS A 58 20.186 5.284 -9.906 1.00 0.00 C ATOM 719 SG CYS A 58 21.141 4.670 -11.303 1.00 0.00 S ATOM 0 H CYS A 58 18.200 5.774 -8.352 1.00 0.00 H new ATOM 0 HA CYS A 58 19.190 6.929 -10.869 1.00 0.00 H new ATOM 0 HB2 CYS A 58 20.822 5.936 -9.307 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.909 4.440 -9.274 1.00 0.00 H new ATOM 724 N LYS A 59 18.022 5.433 -12.437 1.00 0.00 N ATOM 725 CA LYS A 59 17.227 4.671 -13.382 1.00 0.00 C ATOM 726 C LYS A 59 18.138 4.132 -14.497 1.00 0.00 C ATOM 727 O LYS A 59 17.677 3.705 -15.562 1.00 0.00 O ATOM 728 CB LYS A 59 16.108 5.564 -13.959 1.00 0.00 C ATOM 729 CG LYS A 59 15.056 4.810 -14.759 1.00 0.00 C ATOM 730 CD LYS A 59 13.917 5.715 -15.194 1.00 0.00 C ATOM 731 CE LYS A 59 12.865 4.935 -15.973 1.00 0.00 C ATOM 732 NZ LYS A 59 11.674 5.764 -16.284 1.00 0.00 N ATOM 0 H LYS A 59 18.583 6.171 -12.862 1.00 0.00 H new ATOM 0 HA LYS A 59 16.760 3.824 -12.879 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.618 6.088 -13.138 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.558 6.324 -14.598 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.520 4.363 -15.638 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.660 3.992 -14.157 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.459 6.175 -14.318 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.307 6.524 -15.812 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.301 4.565 -16.901 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.559 4.063 -15.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.984 5.195 -16.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.241 6.096 -15.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.961 6.583 -16.858 1.00 0.00 H new ATOM 746 N CYS A 60 19.432 4.143 -14.229 1.00 0.00 N ATOM 747 CA CYS A 60 20.426 3.688 -15.190 1.00 0.00 C ATOM 748 C CYS A 60 20.582 2.175 -15.141 1.00 0.00 C ATOM 749 O CYS A 60 20.399 1.555 -14.087 1.00 0.00 O ATOM 750 CB CYS A 60 21.775 4.331 -14.886 1.00 0.00 C ATOM 751 SG CYS A 60 21.696 6.096 -14.551 1.00 0.00 S ATOM 0 H CYS A 60 19.824 4.466 -13.344 1.00 0.00 H new ATOM 0 HA CYS A 60 20.087 3.978 -16.184 1.00 0.00 H new ATOM 0 HB2 CYS A 60 22.218 3.829 -14.025 1.00 0.00 H new ATOM 0 HB3 CYS A 60 22.443 4.163 -15.731 1.00 0.00 H new ATOM 756 N GLY A 61 20.921 1.588 -16.279 1.00 0.00 N ATOM 757 CA GLY A 61 21.177 0.169 -16.329 1.00 0.00 C ATOM 758 C GLY A 61 22.598 -0.148 -15.899 1.00 0.00 C ATOM 759 O GLY A 61 23.223 0.636 -15.187 1.00 0.00 O ATOM 0 H GLY A 61 21.023 2.074 -17.170 1.00 0.00 H new ATOM 0 HA2 GLY A 61 20.473 -0.353 -15.681 1.00 0.00 H new ATOM 0 HA3 GLY A 61 21.010 -0.198 -17.342 1.00 0.00 H new ATOM 763 N SER A 62 23.118 -1.270 -16.345 1.00 0.00 N ATOM 764 CA SER A 62 24.466 -1.674 -15.980 1.00 0.00 C ATOM 765 C SER A 62 25.509 -0.918 -16.801 1.00 0.00 C ATOM 766 O SER A 62 26.597 -0.604 -16.308 1.00 0.00 O ATOM 767 CB SER A 62 24.638 -3.174 -16.189 1.00 0.00 C ATOM 768 OG SER A 62 23.663 -3.912 -15.472 1.00 0.00 O ATOM 0 H SER A 62 22.632 -1.922 -16.961 1.00 0.00 H new ATOM 0 HA SER A 62 24.616 -1.434 -14.927 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.563 -3.406 -17.251 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.635 -3.476 -15.867 1.00 0.00 H new ATOM 0 HG SER A 62 22.933 -4.162 -16.076 1.00 0.00 H new ATOM 774 N SER A 63 25.172 -0.614 -18.040 1.00 0.00 N ATOM 775 CA SER A 63 26.096 0.054 -18.938 1.00 0.00 C ATOM 776 C SER A 63 26.088 1.574 -18.743 1.00 0.00 C ATOM 777 O SER A 63 25.620 2.319 -19.606 1.00 0.00 O ATOM 778 CB SER A 63 25.764 -0.296 -20.388 1.00 0.00 C ATOM 779 OG SER A 63 25.730 -1.702 -20.578 1.00 0.00 O ATOM 0 H SER A 63 24.261 -0.820 -18.449 1.00 0.00 H new ATOM 0 HA SER A 63 27.100 -0.299 -18.701 1.00 0.00 H new ATOM 0 HB2 SER A 63 24.800 0.134 -20.658 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.507 0.146 -21.052 1.00 0.00 H new ATOM 0 HG SER A 63 25.514 -1.901 -21.513 1.00 0.00 H new ATOM 785 N CYS A 64 26.572 2.028 -17.598 1.00 0.00 N ATOM 786 CA CYS A 64 26.679 3.441 -17.346 1.00 0.00 C ATOM 787 C CYS A 64 27.949 3.763 -16.568 1.00 0.00 C ATOM 788 O CYS A 64 28.547 2.886 -15.939 1.00 0.00 O ATOM 789 CB CYS A 64 25.468 3.936 -16.594 1.00 0.00 C ATOM 790 SG CYS A 64 25.299 5.735 -16.615 1.00 0.00 S ATOM 0 H CYS A 64 26.894 1.433 -16.835 1.00 0.00 H new ATOM 0 HA CYS A 64 26.729 3.951 -18.308 1.00 0.00 H new ATOM 0 HB2 CYS A 64 24.573 3.489 -17.026 1.00 0.00 H new ATOM 0 HB3 CYS A 64 25.527 3.596 -15.560 1.00 0.00 H new ATOM 795 N SER A 65 28.338 5.025 -16.601 1.00 0.00 N ATOM 796 CA SER A 65 29.551 5.489 -15.952 1.00 0.00 C ATOM 797 C SER A 65 29.447 5.420 -14.422 1.00 0.00 C ATOM 798 O SER A 65 30.431 5.146 -13.740 1.00 0.00 O ATOM 799 CB SER A 65 29.838 6.922 -16.393 1.00 0.00 C ATOM 800 OG SER A 65 29.699 7.050 -17.801 1.00 0.00 O ATOM 0 H SER A 65 27.819 5.760 -17.081 1.00 0.00 H new ATOM 0 HA SER A 65 30.369 4.833 -16.250 1.00 0.00 H new ATOM 0 HB2 SER A 65 29.154 7.606 -15.891 1.00 0.00 H new ATOM 0 HB3 SER A 65 30.848 7.205 -16.095 1.00 0.00 H new ATOM 0 HG SER A 65 29.885 7.975 -18.065 1.00 0.00 H new ATOM 806 N CYS A 66 28.250 5.638 -13.892 1.00 0.00 N ATOM 807 CA CYS A 66 28.053 5.653 -12.441 1.00 0.00 C ATOM 808 C CYS A 66 27.855 4.238 -11.888 1.00 0.00 C ATOM 809 O CYS A 66 27.469 4.063 -10.730 1.00 0.00 O ATOM 810 CB CYS A 66 26.847 6.514 -12.086 1.00 0.00 C ATOM 811 SG CYS A 66 25.261 5.756 -12.490 1.00 0.00 S ATOM 0 H CYS A 66 27.404 5.806 -14.437 1.00 0.00 H new ATOM 0 HA CYS A 66 28.951 6.074 -11.988 1.00 0.00 H new ATOM 0 HB2 CYS A 66 26.872 6.734 -11.019 1.00 0.00 H new ATOM 0 HB3 CYS A 66 26.927 7.467 -12.610 1.00 0.00 H new ATOM 816 N LYS A 67 28.118 3.241 -12.711 1.00 0.00 N ATOM 817 CA LYS A 67 27.954 1.851 -12.308 1.00 0.00 C ATOM 818 C LYS A 67 29.301 1.179 -12.074 1.00 0.00 C ATOM 819 O LYS A 67 29.776 1.230 -10.909 1.00 0.00 O ATOM 820 CB LYS A 67 27.151 1.093 -13.359 1.00 0.00 C ATOM 821 CG LYS A 67 25.722 1.583 -13.491 1.00 0.00 C ATOM 822 CD LYS A 67 24.901 1.222 -12.266 1.00 0.00 C ATOM 823 CE LYS A 67 23.545 1.904 -12.282 1.00 0.00 C ATOM 824 NZ LYS A 67 23.652 3.353 -11.966 1.00 0.00 N ATOM 0 H LYS A 67 28.448 3.365 -13.668 1.00 0.00 H new ATOM 0 HA LYS A 67 27.408 1.832 -11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 67 27.650 1.185 -14.324 1.00 0.00 H new ATOM 0 HB3 LYS A 67 27.142 0.033 -13.105 1.00 0.00 H new ATOM 0 HG2 LYS A 67 25.717 2.664 -13.629 1.00 0.00 H new ATOM 0 HG3 LYS A 67 25.266 1.146 -14.379 1.00 0.00 H new ATOM 0 HD2 LYS A 67 24.765 0.141 -12.224 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.443 1.510 -11.366 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.087 1.779 -13.263 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.887 1.422 -11.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.708 3.787 -12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.050 3.472 -11.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.273 3.815 -12.661 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 CD CD A 101 17.057 -7.499 -10.693 1.00 0.00 CD HETATM 840 CD CD A 102 18.498 -7.822 -6.889 1.00 0.00 CD HETATM 841 CD CD A 103 21.096 -7.843 -9.969 1.00 0.00 CD HETATM 842 CD CD A 104 23.126 6.396 -10.950 1.00 0.00 CD HETATM 843 CD CD A 105 24.236 6.736 -14.513 1.00 0.00 CD HETATM 844 CD CD A 106 24.220 10.118 -12.242 1.00 0.00 CD