USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=18 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+ 173:sc= -0.12 (180deg=-0.146) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -87:sc= 0.141 USER MOD Single : A 20 GLN : amide:sc= 0.153 X(o=0.15,f=-0.0039) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 6:sc= 1.02 USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0.382 (180deg=0.373) USER MOD Single : A 38 THR OG1 : rot -101:sc= -0.0211 USER MOD Single : A 40 ASN : amide:sc= 0.668 K(o=0.67,f=0) USER MOD Single : A 42 THR OG1 : rot -170:sc= -0.0801 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0013 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 18:sc= 0.628 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 170:sc=-0.00783 (180deg=-0.131) USER MOD Single : A 62 SER OG : rot -156:sc= 1.25 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0614 USER MOD Single : A 67 LYS NZ :NH3+ -127:sc= 1.24 (180deg=-0.71!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.223 1.962 -20.854 1.00 0.00 N ATOM 2 CA GLY A 1 -14.384 3.006 -21.513 1.00 0.00 C ATOM 3 C GLY A 1 -15.021 4.383 -21.446 1.00 0.00 C ATOM 4 O GLY A 1 -14.609 5.310 -22.153 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.809 1.024 -21.027 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.260 2.141 -19.830 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.186 1.993 -21.245 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.405 3.037 -21.035 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.221 2.734 -22.556 1.00 0.00 H new ATOM 7 N SER A 2 -16.033 4.515 -20.609 1.00 0.00 N ATOM 8 CA SER A 2 -16.731 5.772 -20.436 1.00 0.00 C ATOM 9 C SER A 2 -17.054 6.001 -18.963 1.00 0.00 C ATOM 10 O SER A 2 -17.807 5.233 -18.358 1.00 0.00 O ATOM 11 CB SER A 2 -18.017 5.785 -21.270 1.00 0.00 C ATOM 12 OG SER A 2 -17.730 5.648 -22.661 1.00 0.00 O ATOM 0 H SER A 2 -16.393 3.755 -20.032 1.00 0.00 H new ATOM 0 HA SER A 2 -16.084 6.579 -20.780 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.670 4.974 -20.949 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.557 6.716 -21.097 1.00 0.00 H new ATOM 0 HG SER A 2 -18.567 5.658 -23.170 1.00 0.00 H new ATOM 18 N GLY A 3 -16.462 7.033 -18.383 1.00 0.00 N ATOM 19 CA GLY A 3 -16.717 7.342 -16.994 1.00 0.00 C ATOM 20 C GLY A 3 -16.276 8.741 -16.623 1.00 0.00 C ATOM 21 O GLY A 3 -15.755 8.965 -15.527 1.00 0.00 O ATOM 0 H GLY A 3 -15.809 7.662 -18.850 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -17.782 7.234 -16.790 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -16.197 6.621 -16.363 1.00 0.00 H new ATOM 25 N LYS A 4 -16.475 9.685 -17.534 1.00 0.00 N ATOM 26 CA LYS A 4 -16.102 11.072 -17.282 1.00 0.00 C ATOM 27 C LYS A 4 -17.043 11.691 -16.245 1.00 0.00 C ATOM 28 O LYS A 4 -18.243 11.412 -16.246 1.00 0.00 O ATOM 29 CB LYS A 4 -16.091 11.907 -18.591 1.00 0.00 C ATOM 30 CG LYS A 4 -17.458 12.137 -19.250 1.00 0.00 C ATOM 31 CD LYS A 4 -17.955 10.909 -20.003 1.00 0.00 C ATOM 32 CE LYS A 4 -19.278 11.194 -20.702 1.00 0.00 C ATOM 33 NZ LYS A 4 -19.821 9.994 -21.383 1.00 0.00 N ATOM 0 H LYS A 4 -16.891 9.517 -18.450 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.087 11.083 -16.884 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.645 12.878 -18.376 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.441 11.410 -19.311 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.185 12.410 -18.485 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.389 12.979 -19.939 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.210 10.603 -20.738 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.078 10.078 -19.309 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.003 11.554 -19.972 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.137 11.991 -21.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.721 10.234 -21.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.142 9.664 -22.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.981 9.241 -20.684 1.00 0.00 H new ATOM 47 N GLY A 5 -16.501 12.511 -15.355 1.00 0.00 N ATOM 48 CA GLY A 5 -17.323 13.094 -14.314 1.00 0.00 C ATOM 49 C GLY A 5 -16.912 14.502 -13.946 1.00 0.00 C ATOM 50 O GLY A 5 -17.358 15.035 -12.929 1.00 0.00 O ATOM 0 H GLY A 5 -15.518 12.781 -15.334 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -18.362 13.100 -14.642 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -17.273 12.464 -13.426 1.00 0.00 H new ATOM 54 N LYS A 6 -16.076 15.111 -14.767 1.00 0.00 N ATOM 55 CA LYS A 6 -15.617 16.469 -14.512 1.00 0.00 C ATOM 56 C LYS A 6 -16.687 17.473 -14.908 1.00 0.00 C ATOM 57 O LYS A 6 -17.312 17.345 -15.966 1.00 0.00 O ATOM 58 CB LYS A 6 -14.314 16.758 -15.273 1.00 0.00 C ATOM 59 CG LYS A 6 -13.827 18.200 -15.149 1.00 0.00 C ATOM 60 CD LYS A 6 -12.501 18.415 -15.870 1.00 0.00 C ATOM 61 CE LYS A 6 -11.367 17.664 -15.190 1.00 0.00 C ATOM 62 NZ LYS A 6 -10.080 17.825 -15.906 1.00 0.00 N ATOM 0 H LYS A 6 -15.700 14.689 -15.616 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.421 16.565 -13.444 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.535 16.090 -14.905 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.462 16.525 -16.327 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.578 18.874 -15.561 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.713 18.456 -14.096 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.590 18.082 -16.904 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.269 19.480 -15.897 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.259 18.023 -14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.618 16.605 -15.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.336 17.296 -15.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.174 17.459 -16.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.825 18.833 -15.939 1.00 0.00 H new ATOM 76 N GLY A 7 -16.904 18.454 -14.060 1.00 0.00 N ATOM 77 CA GLY A 7 -17.878 19.474 -14.347 1.00 0.00 C ATOM 78 C GLY A 7 -17.299 20.853 -14.189 1.00 0.00 C ATOM 79 O GLY A 7 -16.614 21.129 -13.203 1.00 0.00 O ATOM 0 H GLY A 7 -16.419 18.564 -13.170 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.248 19.349 -15.365 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.733 19.359 -13.681 1.00 0.00 H new ATOM 83 N GLU A 8 -17.570 21.719 -15.159 1.00 0.00 N ATOM 84 CA GLU A 8 -17.059 23.085 -15.151 1.00 0.00 C ATOM 85 C GLU A 8 -17.668 23.884 -14.010 1.00 0.00 C ATOM 86 O GLU A 8 -17.016 24.761 -13.441 1.00 0.00 O ATOM 87 CB GLU A 8 -17.368 23.765 -16.478 1.00 0.00 C ATOM 88 CG GLU A 8 -16.765 23.066 -17.682 1.00 0.00 C ATOM 89 CD GLU A 8 -17.415 23.503 -18.969 1.00 0.00 C ATOM 90 OE1 GLU A 8 -18.409 22.861 -19.377 1.00 0.00 O ATOM 91 OE2 GLU A 8 -16.966 24.505 -19.562 1.00 0.00 O ATOM 0 H GLU A 8 -18.147 21.496 -15.970 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.979 23.045 -15.008 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -18.449 23.818 -16.605 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.000 24.791 -16.444 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.696 23.275 -17.726 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.874 21.987 -17.568 1.00 0.00 H new ATOM 98 N LYS A 9 -18.931 23.572 -13.684 1.00 0.00 N ATOM 99 CA LYS A 9 -19.663 24.237 -12.595 1.00 0.00 C ATOM 100 C LYS A 9 -19.933 25.704 -12.909 1.00 0.00 C ATOM 101 O LYS A 9 -20.302 26.474 -12.029 1.00 0.00 O ATOM 102 CB LYS A 9 -18.888 24.127 -11.276 1.00 0.00 C ATOM 103 CG LYS A 9 -18.670 22.707 -10.795 1.00 0.00 C ATOM 104 CD LYS A 9 -19.970 22.060 -10.361 1.00 0.00 C ATOM 105 CE LYS A 9 -20.576 22.785 -9.172 1.00 0.00 C ATOM 106 NZ LYS A 9 -21.787 22.099 -8.665 1.00 0.00 N ATOM 0 H LYS A 9 -19.472 22.854 -14.166 1.00 0.00 H new ATOM 0 HA LYS A 9 -20.622 23.728 -12.495 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -17.918 24.610 -11.397 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -19.425 24.680 -10.506 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -18.218 22.117 -11.592 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.967 22.708 -9.962 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -20.676 22.065 -11.191 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -19.791 21.017 -10.101 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -19.837 22.854 -8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -20.830 23.805 -9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -22.170 22.625 -7.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -22.502 22.055 -9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -21.540 21.134 -8.366 1.00 0.00 H new ATOM 120 N CYS A 10 -19.761 26.084 -14.157 1.00 0.00 N ATOM 121 CA CYS A 10 -19.963 27.459 -14.556 1.00 0.00 C ATOM 122 C CYS A 10 -21.425 27.806 -14.681 1.00 0.00 C ATOM 123 O CYS A 10 -22.205 27.082 -15.309 1.00 0.00 O ATOM 124 CB CYS A 10 -19.208 27.776 -15.836 1.00 0.00 C ATOM 125 SG CYS A 10 -17.420 27.823 -15.619 1.00 0.00 S ATOM 0 H CYS A 10 -19.481 25.459 -14.913 1.00 0.00 H new ATOM 0 HA CYS A 10 -19.556 28.085 -13.762 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -19.456 27.029 -16.590 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -19.546 28.739 -16.219 1.00 0.00 H new ATOM 130 N THR A 11 -21.787 28.908 -14.070 1.00 0.00 N ATOM 131 CA THR A 11 -23.137 29.383 -14.078 1.00 0.00 C ATOM 132 C THR A 11 -23.384 30.250 -15.307 1.00 0.00 C ATOM 133 O THR A 11 -22.462 30.500 -16.093 1.00 0.00 O ATOM 134 CB THR A 11 -23.414 30.198 -12.806 1.00 0.00 C ATOM 135 OG1 THR A 11 -22.407 31.215 -12.663 1.00 0.00 O ATOM 136 CG2 THR A 11 -23.396 29.296 -11.579 1.00 0.00 C ATOM 0 H THR A 11 -21.141 29.502 -13.550 1.00 0.00 H new ATOM 0 HA THR A 11 -23.809 28.525 -14.109 1.00 0.00 H new ATOM 0 HB THR A 11 -24.399 30.657 -12.891 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.583 31.738 -11.853 1.00 0.00 H new ATOM 0 HG21 THR A 11 -23.594 29.891 -10.687 1.00 0.00 H new ATOM 0 HG22 THR A 11 -24.163 28.528 -11.681 1.00 0.00 H new ATOM 0 HG23 THR A 11 -22.418 28.823 -11.490 1.00 0.00 H new ATOM 144 N SER A 12 -24.612 30.716 -15.465 1.00 0.00 N ATOM 145 CA SER A 12 -24.983 31.547 -16.601 1.00 0.00 C ATOM 146 C SER A 12 -24.143 32.829 -16.666 1.00 0.00 C ATOM 147 O SER A 12 -23.925 33.381 -17.743 1.00 0.00 O ATOM 148 CB SER A 12 -26.471 31.874 -16.538 1.00 0.00 C ATOM 149 OG SER A 12 -27.238 30.678 -16.462 1.00 0.00 O ATOM 0 H SER A 12 -25.376 30.531 -14.815 1.00 0.00 H new ATOM 0 HA SER A 12 -24.780 30.986 -17.513 1.00 0.00 H new ATOM 0 HB2 SER A 12 -26.676 32.501 -15.670 1.00 0.00 H new ATOM 0 HB3 SER A 12 -26.762 32.445 -17.420 1.00 0.00 H new ATOM 0 HG SER A 12 -28.191 30.903 -16.420 1.00 0.00 H new ATOM 155 N ALA A 13 -23.658 33.286 -15.511 1.00 0.00 N ATOM 156 CA ALA A 13 -22.831 34.476 -15.457 1.00 0.00 C ATOM 157 C ALA A 13 -21.490 34.235 -16.140 1.00 0.00 C ATOM 158 O ALA A 13 -21.032 35.051 -16.931 1.00 0.00 O ATOM 159 CB ALA A 13 -22.625 34.917 -14.016 1.00 0.00 C ATOM 0 H ALA A 13 -23.827 32.846 -14.606 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.346 35.274 -15.992 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.002 35.811 -13.995 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.591 35.137 -13.561 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.134 34.120 -13.458 1.00 0.00 H new ATOM 165 N CYS A 14 -20.878 33.099 -15.853 1.00 0.00 N ATOM 166 CA CYS A 14 -19.579 32.772 -16.427 1.00 0.00 C ATOM 167 C CYS A 14 -19.736 32.292 -17.872 1.00 0.00 C ATOM 168 O CYS A 14 -18.824 32.423 -18.687 1.00 0.00 O ATOM 169 CB CYS A 14 -18.879 31.707 -15.586 1.00 0.00 C ATOM 170 SG CYS A 14 -17.086 31.651 -15.799 1.00 0.00 S ATOM 0 H CYS A 14 -21.256 32.387 -15.228 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.966 33.673 -16.428 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -19.103 31.886 -14.534 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -19.294 30.731 -15.838 1.00 0.00 H new ATOM 175 N ARG A 15 -20.911 31.746 -18.182 1.00 0.00 N ATOM 176 CA ARG A 15 -21.206 31.262 -19.533 1.00 0.00 C ATOM 177 C ARG A 15 -21.458 32.420 -20.485 1.00 0.00 C ATOM 178 O ARG A 15 -21.411 32.255 -21.705 1.00 0.00 O ATOM 179 CB ARG A 15 -22.426 30.346 -19.530 1.00 0.00 C ATOM 180 CG ARG A 15 -22.213 29.005 -18.857 1.00 0.00 C ATOM 181 CD ARG A 15 -21.137 28.193 -19.554 1.00 0.00 C ATOM 182 NE ARG A 15 -21.162 26.796 -19.132 1.00 0.00 N ATOM 183 CZ ARG A 15 -20.154 25.938 -19.283 1.00 0.00 C ATOM 184 NH1 ARG A 15 -18.994 26.337 -19.795 1.00 0.00 N ATOM 185 NH2 ARG A 15 -20.304 24.677 -18.913 1.00 0.00 N ATOM 0 H ARG A 15 -21.675 31.627 -17.517 1.00 0.00 H new ATOM 0 HA ARG A 15 -20.335 30.701 -19.872 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -23.248 30.860 -19.031 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -22.736 30.174 -20.561 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -21.934 29.161 -17.815 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -23.148 28.445 -18.856 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -21.278 28.251 -20.633 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -20.159 28.622 -19.337 1.00 0.00 H new ATOM 0 HE ARG A 15 -22.014 26.451 -18.689 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -18.868 27.309 -20.077 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -18.229 25.671 -19.906 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.189 24.364 -18.514 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -19.535 24.017 -19.027 1.00 0.00 H new ATOM 199 N SER A 16 -21.738 33.584 -19.923 1.00 0.00 N ATOM 200 CA SER A 16 -22.007 34.767 -20.706 1.00 0.00 C ATOM 201 C SER A 16 -20.787 35.151 -21.534 1.00 0.00 C ATOM 202 O SER A 16 -19.656 34.748 -21.232 1.00 0.00 O ATOM 203 CB SER A 16 -22.409 35.919 -19.787 1.00 0.00 C ATOM 204 OG SER A 16 -22.737 37.091 -20.521 1.00 0.00 O ATOM 0 H SER A 16 -21.784 33.730 -18.915 1.00 0.00 H new ATOM 0 HA SER A 16 -22.830 34.555 -21.389 1.00 0.00 H new ATOM 0 HB2 SER A 16 -23.264 35.619 -19.181 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.592 36.138 -19.100 1.00 0.00 H new ATOM 0 HG SER A 16 -21.923 37.609 -20.692 1.00 0.00 H new ATOM 210 N GLU A 17 -21.016 35.922 -22.566 1.00 0.00 N ATOM 211 CA GLU A 17 -19.957 36.363 -23.442 1.00 0.00 C ATOM 212 C GLU A 17 -20.073 37.865 -23.681 1.00 0.00 C ATOM 213 O GLU A 17 -20.981 38.316 -24.375 1.00 0.00 O ATOM 214 CB GLU A 17 -20.021 35.601 -24.769 1.00 0.00 C ATOM 215 CG GLU A 17 -19.973 34.092 -24.602 1.00 0.00 C ATOM 216 CD GLU A 17 -20.043 33.355 -25.912 1.00 0.00 C ATOM 217 OE1 GLU A 17 -21.158 32.985 -26.332 1.00 0.00 O ATOM 218 OE2 GLU A 17 -18.983 33.137 -26.530 1.00 0.00 O ATOM 0 H GLU A 17 -21.942 36.263 -22.824 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.995 36.158 -22.972 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.939 35.872 -25.291 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.190 35.916 -25.400 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.053 33.818 -24.085 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.801 33.775 -23.968 1.00 0.00 H new ATOM 225 N PRO A 18 -19.173 38.672 -23.083 1.00 0.00 N ATOM 226 CA PRO A 18 -18.089 38.180 -22.218 1.00 0.00 C ATOM 227 C PRO A 18 -18.595 37.729 -20.844 1.00 0.00 C ATOM 228 O PRO A 18 -19.765 37.954 -20.491 1.00 0.00 O ATOM 229 CB PRO A 18 -17.184 39.403 -22.069 1.00 0.00 C ATOM 230 CG PRO A 18 -18.100 40.562 -22.215 1.00 0.00 C ATOM 231 CD PRO A 18 -19.151 40.141 -23.206 1.00 0.00 C ATOM 0 HA PRO A 18 -17.595 37.306 -22.641 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.684 39.411 -21.100 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.404 39.415 -22.830 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.550 40.826 -21.258 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.562 41.442 -22.568 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -20.122 40.578 -22.971 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -18.897 40.455 -24.218 1.00 0.00 H new ATOM 239 N CYS A 19 -17.708 37.103 -20.083 1.00 0.00 N ATOM 240 CA CYS A 19 -18.025 36.581 -18.758 1.00 0.00 C ATOM 241 C CYS A 19 -18.581 37.667 -17.836 1.00 0.00 C ATOM 242 O CYS A 19 -18.164 38.826 -17.902 1.00 0.00 O ATOM 243 CB CYS A 19 -16.778 35.959 -18.138 1.00 0.00 C ATOM 244 SG CYS A 19 -16.966 35.488 -16.410 1.00 0.00 S ATOM 0 H CYS A 19 -16.742 36.941 -20.368 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.798 35.821 -18.875 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.501 35.077 -18.715 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.953 36.667 -18.222 1.00 0.00 H new ATOM 249 N GLN A 20 -19.535 37.280 -16.993 1.00 0.00 N ATOM 250 CA GLN A 20 -20.167 38.192 -16.039 1.00 0.00 C ATOM 251 C GLN A 20 -19.964 37.694 -14.609 1.00 0.00 C ATOM 252 O GLN A 20 -20.636 38.144 -13.676 1.00 0.00 O ATOM 253 CB GLN A 20 -21.661 38.299 -16.323 1.00 0.00 C ATOM 254 CG GLN A 20 -22.001 38.749 -17.727 1.00 0.00 C ATOM 255 CD GLN A 20 -21.601 40.187 -18.008 1.00 0.00 C ATOM 256 OE1 GLN A 20 -22.371 41.119 -17.775 1.00 0.00 O ATOM 257 NE2 GLN A 20 -20.408 40.377 -18.525 1.00 0.00 N ATOM 0 H GLN A 20 -19.893 36.326 -16.951 1.00 0.00 H new ATOM 0 HA GLN A 20 -19.704 39.173 -16.148 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.123 37.328 -16.144 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -22.104 38.998 -15.613 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.503 38.094 -18.442 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.074 38.639 -17.887 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -19.797 39.580 -18.704 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -20.093 41.321 -18.747 1.00 0.00 H new ATOM 266 N CYS A 21 -19.038 36.767 -14.438 1.00 0.00 N ATOM 267 CA CYS A 21 -18.742 36.216 -13.113 1.00 0.00 C ATOM 268 C CYS A 21 -18.028 37.257 -12.231 1.00 0.00 C ATOM 269 O CYS A 21 -17.764 37.018 -11.062 1.00 0.00 O ATOM 270 CB CYS A 21 -17.889 34.945 -13.222 1.00 0.00 C ATOM 271 SG CYS A 21 -18.751 33.401 -12.824 1.00 0.00 S ATOM 0 H CYS A 21 -18.475 36.376 -15.194 1.00 0.00 H new ATOM 0 HA CYS A 21 -19.692 35.956 -12.645 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.500 34.874 -14.238 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.030 35.045 -12.558 1.00 0.00 H new ATOM 276 N GLY A 22 -17.726 38.414 -12.807 1.00 0.00 N ATOM 277 CA GLY A 22 -17.073 39.474 -12.064 1.00 0.00 C ATOM 278 C GLY A 22 -17.991 40.118 -11.036 1.00 0.00 C ATOM 279 O GLY A 22 -17.530 40.828 -10.138 1.00 0.00 O ATOM 0 H GLY A 22 -17.924 38.638 -13.782 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.194 39.071 -11.560 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -16.720 40.236 -12.759 1.00 0.00 H new ATOM 283 N SER A 23 -19.286 39.876 -11.161 1.00 0.00 N ATOM 284 CA SER A 23 -20.248 40.428 -10.229 1.00 0.00 C ATOM 285 C SER A 23 -20.170 39.708 -8.877 1.00 0.00 C ATOM 286 O SER A 23 -20.114 40.348 -7.828 1.00 0.00 O ATOM 287 CB SER A 23 -21.668 40.348 -10.808 1.00 0.00 C ATOM 288 OG SER A 23 -22.617 40.959 -9.947 1.00 0.00 O ATOM 0 H SER A 23 -19.692 39.301 -11.899 1.00 0.00 H new ATOM 0 HA SER A 23 -20.004 41.478 -10.067 1.00 0.00 H new ATOM 0 HB2 SER A 23 -21.693 40.836 -11.782 1.00 0.00 H new ATOM 0 HB3 SER A 23 -21.939 39.304 -10.967 1.00 0.00 H new ATOM 0 HG SER A 23 -23.510 40.893 -10.345 1.00 0.00 H new ATOM 294 N LYS A 24 -20.152 38.381 -8.909 1.00 0.00 N ATOM 295 CA LYS A 24 -20.083 37.586 -7.684 1.00 0.00 C ATOM 296 C LYS A 24 -19.180 36.378 -7.862 1.00 0.00 C ATOM 297 O LYS A 24 -18.373 36.068 -6.977 1.00 0.00 O ATOM 298 CB LYS A 24 -21.475 37.128 -7.247 1.00 0.00 C ATOM 299 CG LYS A 24 -22.377 38.251 -6.770 1.00 0.00 C ATOM 300 CD LYS A 24 -23.696 37.715 -6.254 1.00 0.00 C ATOM 301 CE LYS A 24 -24.571 38.830 -5.721 1.00 0.00 C ATOM 302 NZ LYS A 24 -25.851 38.317 -5.184 1.00 0.00 N ATOM 0 H LYS A 24 -20.184 37.831 -9.767 1.00 0.00 H new ATOM 0 HA LYS A 24 -19.662 38.225 -6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -21.957 36.620 -8.082 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -21.370 36.396 -6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -21.876 38.812 -5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -22.560 38.946 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -24.217 37.192 -7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -23.511 36.986 -5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -24.037 39.367 -4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -24.772 39.546 -6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -26.422 39.111 -4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -26.372 37.826 -5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -25.660 37.653 -4.407 1.00 0.00 H new ATOM 316 N CYS A 25 -19.327 35.705 -9.010 1.00 0.00 N ATOM 317 CA CYS A 25 -18.545 34.512 -9.350 1.00 0.00 C ATOM 318 C CYS A 25 -19.017 33.302 -8.548 1.00 0.00 C ATOM 319 O CYS A 25 -18.682 33.139 -7.370 1.00 0.00 O ATOM 320 CB CYS A 25 -17.046 34.754 -9.150 1.00 0.00 C ATOM 321 SG CYS A 25 -15.990 33.497 -9.875 1.00 0.00 S ATOM 0 H CYS A 25 -19.995 35.975 -9.732 1.00 0.00 H new ATOM 0 HA CYS A 25 -18.707 34.299 -10.407 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -16.786 35.722 -9.579 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -16.839 34.813 -8.081 1.00 0.00 H new ATOM 326 N GLN A 26 -19.804 32.461 -9.191 1.00 0.00 N ATOM 327 CA GLN A 26 -20.370 31.291 -8.541 1.00 0.00 C ATOM 328 C GLN A 26 -20.038 30.023 -9.319 1.00 0.00 C ATOM 329 O GLN A 26 -20.607 28.961 -9.066 1.00 0.00 O ATOM 330 CB GLN A 26 -21.885 31.446 -8.433 1.00 0.00 C ATOM 331 CG GLN A 26 -22.414 31.458 -7.011 1.00 0.00 C ATOM 332 CD GLN A 26 -23.926 31.562 -6.965 1.00 0.00 C ATOM 333 OE1 GLN A 26 -24.632 30.552 -7.003 1.00 0.00 O ATOM 334 NE2 GLN A 26 -24.436 32.775 -6.868 1.00 0.00 N ATOM 0 H GLN A 26 -20.068 32.566 -10.170 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.937 31.207 -7.544 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -22.179 32.373 -8.925 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.361 30.631 -8.978 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.098 30.549 -6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -21.977 32.297 -6.469 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.819 33.587 -6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -25.447 32.901 -6.822 1.00 0.00 H new ATOM 343 N CYS A 27 -19.110 30.134 -10.249 1.00 0.00 N ATOM 344 CA CYS A 27 -18.731 29.006 -11.086 1.00 0.00 C ATOM 345 C CYS A 27 -17.700 28.136 -10.387 1.00 0.00 C ATOM 346 O CYS A 27 -17.344 28.370 -9.223 1.00 0.00 O ATOM 347 CB CYS A 27 -18.112 29.507 -12.375 1.00 0.00 C ATOM 348 SG CYS A 27 -16.449 30.140 -12.151 1.00 0.00 S ATOM 0 H CYS A 27 -18.601 30.996 -10.447 1.00 0.00 H new ATOM 0 HA CYS A 27 -19.631 28.425 -11.287 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -18.091 28.695 -13.102 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -18.741 30.293 -12.793 1.00 0.00 H new ATOM 353 N GLY A 28 -17.223 27.138 -11.099 1.00 0.00 N ATOM 354 CA GLY A 28 -16.160 26.330 -10.602 1.00 0.00 C ATOM 355 C GLY A 28 -14.846 26.939 -10.992 1.00 0.00 C ATOM 356 O GLY A 28 -14.635 27.265 -12.159 1.00 0.00 O ATOM 0 H GLY A 28 -17.563 26.876 -12.024 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.228 26.248 -9.517 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.238 25.320 -11.003 1.00 0.00 H new ATOM 360 N GLU A 29 -13.957 27.075 -10.041 1.00 0.00 N ATOM 361 CA GLU A 29 -12.664 27.729 -10.272 1.00 0.00 C ATOM 362 C GLU A 29 -11.710 26.879 -11.117 1.00 0.00 C ATOM 363 O GLU A 29 -10.498 27.125 -11.157 1.00 0.00 O ATOM 364 CB GLU A 29 -12.018 28.144 -8.942 1.00 0.00 C ATOM 365 CG GLU A 29 -12.469 27.322 -7.737 1.00 0.00 C ATOM 366 CD GLU A 29 -12.209 25.840 -7.896 1.00 0.00 C ATOM 367 OE1 GLU A 29 -11.033 25.430 -7.840 1.00 0.00 O ATOM 368 OE2 GLU A 29 -13.182 25.082 -8.068 1.00 0.00 O ATOM 0 H GLU A 29 -14.093 26.743 -9.086 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.864 28.629 -10.853 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.935 28.062 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.243 29.194 -8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.953 27.681 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.535 27.482 -7.574 1.00 0.00 H new ATOM 375 N GLY A 30 -12.268 25.924 -11.815 1.00 0.00 N ATOM 376 CA GLY A 30 -11.502 25.078 -12.686 1.00 0.00 C ATOM 377 C GLY A 30 -11.824 25.355 -14.138 1.00 0.00 C ATOM 378 O GLY A 30 -11.434 24.594 -15.029 1.00 0.00 O ATOM 0 H GLY A 30 -13.266 25.713 -11.794 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.438 25.238 -12.510 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.710 24.033 -12.457 1.00 0.00 H new ATOM 382 N CYS A 31 -12.550 26.447 -14.378 1.00 0.00 N ATOM 383 CA CYS A 31 -12.927 26.843 -15.729 1.00 0.00 C ATOM 384 C CYS A 31 -11.777 27.557 -16.411 1.00 0.00 C ATOM 385 O CYS A 31 -11.784 27.737 -17.628 1.00 0.00 O ATOM 386 CB CYS A 31 -14.131 27.777 -15.691 1.00 0.00 C ATOM 387 SG CYS A 31 -13.749 29.455 -15.118 1.00 0.00 S ATOM 0 H CYS A 31 -12.889 27.074 -13.648 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.180 25.941 -16.286 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.564 27.835 -16.690 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -14.891 27.346 -15.039 1.00 0.00 H new ATOM 392 N THR A 32 -10.796 27.977 -15.600 1.00 0.00 N ATOM 393 CA THR A 32 -9.619 28.727 -16.059 1.00 0.00 C ATOM 394 C THR A 32 -10.019 30.021 -16.781 1.00 0.00 C ATOM 395 O THR A 32 -9.277 30.531 -17.618 1.00 0.00 O ATOM 396 CB THR A 32 -8.660 27.870 -16.955 1.00 0.00 C ATOM 397 OG1 THR A 32 -9.326 27.403 -18.140 1.00 0.00 O ATOM 398 CG2 THR A 32 -8.126 26.676 -16.178 1.00 0.00 C ATOM 0 H THR A 32 -10.798 27.803 -14.595 1.00 0.00 H new ATOM 0 HA THR A 32 -9.064 28.991 -15.159 1.00 0.00 H new ATOM 0 HB THR A 32 -7.832 28.514 -17.250 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.221 27.800 -18.190 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.462 26.093 -16.817 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.574 27.027 -15.306 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.958 26.051 -15.854 1.00 0.00 H new ATOM 406 N CYS A 33 -11.195 30.549 -16.430 1.00 0.00 N ATOM 407 CA CYS A 33 -11.699 31.774 -17.022 1.00 0.00 C ATOM 408 C CYS A 33 -10.768 32.926 -16.692 1.00 0.00 C ATOM 409 O CYS A 33 -10.447 33.168 -15.529 1.00 0.00 O ATOM 410 CB CYS A 33 -13.109 32.075 -16.505 1.00 0.00 C ATOM 411 SG CYS A 33 -14.066 33.207 -17.527 1.00 0.00 S ATOM 0 H CYS A 33 -11.814 30.137 -15.732 1.00 0.00 H new ATOM 0 HA CYS A 33 -11.744 31.649 -18.104 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -13.656 31.136 -16.418 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -13.031 32.493 -15.501 1.00 0.00 H new ATOM 416 N ALA A 34 -10.358 33.637 -17.709 1.00 0.00 N ATOM 417 CA ALA A 34 -9.424 34.731 -17.558 1.00 0.00 C ATOM 418 C ALA A 34 -10.168 36.038 -17.364 1.00 0.00 C ATOM 419 O ALA A 34 -9.702 37.107 -17.768 1.00 0.00 O ATOM 420 CB ALA A 34 -8.519 34.804 -18.776 1.00 0.00 C ATOM 0 H ALA A 34 -10.661 33.477 -18.670 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.810 34.557 -16.674 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.817 35.629 -18.659 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.967 33.869 -18.876 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.123 34.966 -19.669 1.00 0.00 H new ATOM 426 N ALA A 35 -11.317 35.949 -16.730 1.00 0.00 N ATOM 427 CA ALA A 35 -12.136 37.109 -16.481 1.00 0.00 C ATOM 428 C ALA A 35 -12.510 37.178 -15.022 1.00 0.00 C ATOM 429 O ALA A 35 -12.329 38.205 -14.373 1.00 0.00 O ATOM 430 CB ALA A 35 -13.378 37.085 -17.355 1.00 0.00 C ATOM 0 H ALA A 35 -11.706 35.075 -16.376 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.563 38.001 -16.734 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.983 37.969 -17.152 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.084 37.080 -18.405 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.960 36.189 -17.136 1.00 0.00 H new ATOM 436 N CYS A 36 -13.020 36.085 -14.498 1.00 0.00 N ATOM 437 CA CYS A 36 -13.406 36.041 -13.104 1.00 0.00 C ATOM 438 C CYS A 36 -12.323 35.399 -12.257 1.00 0.00 C ATOM 439 O CYS A 36 -12.041 35.851 -11.142 1.00 0.00 O ATOM 440 CB CYS A 36 -14.714 35.296 -12.939 1.00 0.00 C ATOM 441 SG CYS A 36 -14.690 33.611 -13.574 1.00 0.00 S ATOM 0 H CYS A 36 -13.177 35.219 -15.013 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.541 37.067 -12.761 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -14.973 35.270 -11.881 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -15.502 35.852 -13.446 1.00 0.00 H new ATOM 446 N LYS A 37 -11.704 34.353 -12.782 1.00 0.00 N ATOM 447 CA LYS A 37 -10.671 33.665 -12.047 1.00 0.00 C ATOM 448 C LYS A 37 -9.335 34.346 -12.230 1.00 0.00 C ATOM 449 O LYS A 37 -8.795 34.399 -13.333 1.00 0.00 O ATOM 450 CB LYS A 37 -10.554 32.192 -12.441 1.00 0.00 C ATOM 451 CG LYS A 37 -9.498 31.459 -11.622 1.00 0.00 C ATOM 452 CD LYS A 37 -9.218 30.065 -12.140 1.00 0.00 C ATOM 453 CE LYS A 37 -8.102 29.414 -11.335 1.00 0.00 C ATOM 454 NZ LYS A 37 -7.738 28.078 -11.857 1.00 0.00 N ATOM 0 H LYS A 37 -11.901 33.970 -13.706 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.960 33.707 -10.997 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.519 31.704 -12.306 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.305 32.120 -13.500 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.574 32.037 -11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.827 31.397 -10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.122 29.459 -12.077 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.937 30.111 -13.192 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.223 30.059 -11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.414 29.322 -10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.930 27.704 -11.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.548 27.434 -11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.480 28.156 -12.861 1.00 0.00 H new ATOM 468 N THR A 38 -8.817 34.863 -11.149 1.00 0.00 N ATOM 469 CA THR A 38 -7.540 35.521 -11.133 1.00 0.00 C ATOM 470 C THR A 38 -7.242 35.941 -9.707 1.00 0.00 C ATOM 471 O THR A 38 -8.027 35.652 -8.799 1.00 0.00 O ATOM 472 CB THR A 38 -7.519 36.763 -12.080 1.00 0.00 C ATOM 473 OG1 THR A 38 -6.182 37.283 -12.197 1.00 0.00 O ATOM 474 CG2 THR A 38 -8.453 37.862 -11.571 1.00 0.00 C ATOM 0 H THR A 38 -9.279 34.838 -10.240 1.00 0.00 H new ATOM 0 HA THR A 38 -6.778 34.831 -11.496 1.00 0.00 H new ATOM 0 HB THR A 38 -7.867 36.438 -13.060 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.087 38.072 -11.624 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.417 38.714 -12.251 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.472 37.479 -11.522 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.136 38.177 -10.577 1.00 0.00 H new ATOM 482 N CYS A 39 -6.130 36.588 -9.503 1.00 0.00 N ATOM 483 CA CYS A 39 -5.784 37.066 -8.195 1.00 0.00 C ATOM 484 C CYS A 39 -6.148 38.532 -8.079 1.00 0.00 C ATOM 485 O CYS A 39 -5.879 39.324 -8.990 1.00 0.00 O ATOM 486 CB CYS A 39 -4.303 36.865 -7.913 1.00 0.00 C ATOM 487 SG CYS A 39 -3.794 37.429 -6.278 1.00 0.00 S ATOM 0 H CYS A 39 -5.445 36.797 -10.229 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.344 36.494 -7.456 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.063 35.806 -8.013 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.723 37.396 -8.668 1.00 0.00 H new ATOM 492 N ASN A 40 -6.761 38.895 -6.972 1.00 0.00 N ATOM 493 CA ASN A 40 -7.187 40.268 -6.760 1.00 0.00 C ATOM 494 C ASN A 40 -6.073 41.101 -6.160 1.00 0.00 C ATOM 495 O ASN A 40 -6.201 42.318 -6.016 1.00 0.00 O ATOM 496 CB ASN A 40 -8.436 40.318 -5.876 1.00 0.00 C ATOM 497 CG ASN A 40 -9.705 39.980 -6.641 1.00 0.00 C ATOM 498 OD1 ASN A 40 -10.383 40.867 -7.157 1.00 0.00 O ATOM 499 ND2 ASN A 40 -10.028 38.705 -6.731 1.00 0.00 N ATOM 0 H ASN A 40 -6.977 38.260 -6.203 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.437 40.694 -7.732 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.319 39.620 -5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.531 41.314 -5.443 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.865 38.426 -7.242 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.440 37.998 -6.290 1.00 0.00 H new ATOM 506 N CYS A 41 -4.978 40.449 -5.819 1.00 0.00 N ATOM 507 CA CYS A 41 -3.842 41.124 -5.240 1.00 0.00 C ATOM 508 C CYS A 41 -3.007 41.789 -6.315 1.00 0.00 C ATOM 509 O CYS A 41 -2.730 41.196 -7.358 1.00 0.00 O ATOM 510 CB CYS A 41 -2.994 40.143 -4.451 1.00 0.00 C ATOM 511 SG CYS A 41 -3.909 39.256 -3.183 1.00 0.00 S ATOM 0 H CYS A 41 -4.855 39.443 -5.936 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.211 41.896 -4.564 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.552 39.422 -5.139 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.171 40.682 -3.983 1.00 0.00 H new ATOM 516 N THR A 42 -2.613 43.012 -6.061 1.00 0.00 N ATOM 517 CA THR A 42 -1.814 43.764 -6.995 1.00 0.00 C ATOM 518 C THR A 42 -0.384 43.843 -6.494 1.00 0.00 C ATOM 519 O THR A 42 -0.095 43.431 -5.371 1.00 0.00 O ATOM 520 CB THR A 42 -2.374 45.189 -7.158 1.00 0.00 C ATOM 521 OG1 THR A 42 -2.363 45.856 -5.885 1.00 0.00 O ATOM 522 CG2 THR A 42 -3.799 45.145 -7.690 1.00 0.00 C ATOM 0 H THR A 42 -2.837 43.514 -5.202 1.00 0.00 H new ATOM 0 HA THR A 42 -1.841 43.260 -7.961 1.00 0.00 H new ATOM 0 HB THR A 42 -1.749 45.731 -7.868 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.860 46.698 -5.952 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.178 46.161 -7.799 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.810 44.648 -8.660 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.431 44.595 -6.993 1.00 0.00 H new ATOM 530 N SER A 43 0.508 44.373 -7.311 1.00 0.00 N ATOM 531 CA SER A 43 1.892 44.533 -6.911 1.00 0.00 C ATOM 532 C SER A 43 2.028 45.704 -5.936 1.00 0.00 C ATOM 533 O SER A 43 3.077 45.906 -5.326 1.00 0.00 O ATOM 534 CB SER A 43 2.787 44.734 -8.139 1.00 0.00 C ATOM 535 OG SER A 43 2.304 45.787 -8.954 1.00 0.00 O ATOM 0 H SER A 43 0.298 44.699 -8.254 1.00 0.00 H new ATOM 0 HA SER A 43 2.218 43.625 -6.403 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.805 44.955 -7.819 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.828 43.811 -8.718 1.00 0.00 H new ATOM 0 HG SER A 43 2.893 45.897 -9.730 1.00 0.00 H new ATOM 541 N ASP A 44 0.948 46.467 -5.800 1.00 0.00 N ATOM 542 CA ASP A 44 0.902 47.590 -4.876 1.00 0.00 C ATOM 543 C ASP A 44 0.734 47.085 -3.454 1.00 0.00 C ATOM 544 O ASP A 44 1.369 47.582 -2.522 1.00 0.00 O ATOM 545 CB ASP A 44 -0.253 48.532 -5.236 1.00 0.00 C ATOM 546 CG ASP A 44 -0.449 49.641 -4.217 1.00 0.00 C ATOM 547 OD1 ASP A 44 0.282 50.655 -4.287 1.00 0.00 O ATOM 548 OD2 ASP A 44 -1.345 49.510 -3.349 1.00 0.00 O ATOM 0 H ASP A 44 0.085 46.324 -6.325 1.00 0.00 H new ATOM 0 HA ASP A 44 1.839 48.142 -4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.064 48.973 -6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.174 47.955 -5.319 1.00 0.00 H new ATOM 553 N GLY A 45 -0.108 46.085 -3.296 1.00 0.00 N ATOM 554 CA GLY A 45 -0.350 45.526 -2.001 1.00 0.00 C ATOM 555 C GLY A 45 -1.129 44.241 -2.083 1.00 0.00 C ATOM 556 O GLY A 45 -2.083 44.130 -2.859 1.00 0.00 O ATOM 0 H GLY A 45 -0.632 45.649 -4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.601 45.343 -1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.898 46.245 -1.392 1.00 0.00 H new ATOM 560 N CYS A 46 -0.717 43.266 -1.305 1.00 0.00 N ATOM 561 CA CYS A 46 -1.389 41.986 -1.270 1.00 0.00 C ATOM 562 C CYS A 46 -2.762 42.143 -0.619 1.00 0.00 C ATOM 563 O CYS A 46 -2.880 42.697 0.473 1.00 0.00 O ATOM 564 CB CYS A 46 -0.541 40.965 -0.504 1.00 0.00 C ATOM 565 SG CYS A 46 -1.091 39.253 -0.682 1.00 0.00 S ATOM 0 H CYS A 46 0.088 43.336 -0.682 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.524 41.623 -2.289 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.491 41.039 -0.846 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.546 41.227 0.554 1.00 0.00 H new ATOM 570 N LYS A 47 -3.789 41.665 -1.291 1.00 0.00 N ATOM 571 CA LYS A 47 -5.151 41.804 -0.804 1.00 0.00 C ATOM 572 C LYS A 47 -5.500 40.737 0.221 1.00 0.00 C ATOM 573 O LYS A 47 -6.166 41.022 1.214 1.00 0.00 O ATOM 574 CB LYS A 47 -6.144 41.753 -1.965 1.00 0.00 C ATOM 575 CG LYS A 47 -6.046 42.923 -2.942 1.00 0.00 C ATOM 576 CD LYS A 47 -6.505 44.233 -2.319 1.00 0.00 C ATOM 577 CE LYS A 47 -5.331 45.089 -1.861 1.00 0.00 C ATOM 578 NZ LYS A 47 -5.788 46.362 -1.254 1.00 0.00 N ATOM 0 H LYS A 47 -3.708 41.174 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.219 42.775 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.991 40.824 -2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.155 41.720 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.015 43.026 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.651 42.710 -3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.099 44.790 -3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.154 44.022 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.735 44.533 -1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.682 45.303 -2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.963 46.919 -0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.335 46.903 -1.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.387 46.158 -0.429 1.00 0.00 H new ATOM 592 N CYS A 48 -5.055 39.519 -0.012 1.00 0.00 N ATOM 593 CA CYS A 48 -5.379 38.424 0.891 1.00 0.00 C ATOM 594 C CYS A 48 -4.369 38.343 2.034 1.00 0.00 C ATOM 595 O CYS A 48 -4.724 38.033 3.170 1.00 0.00 O ATOM 596 CB CYS A 48 -5.423 37.106 0.133 1.00 0.00 C ATOM 597 SG CYS A 48 -3.810 36.531 -0.402 1.00 0.00 S ATOM 0 H CYS A 48 -4.474 39.260 -0.809 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.363 38.617 1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.878 36.346 0.768 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.067 37.219 -0.739 1.00 0.00 H new ATOM 602 N GLY A 49 -3.110 38.625 1.729 1.00 0.00 N ATOM 603 CA GLY A 49 -2.082 38.601 2.744 1.00 0.00 C ATOM 604 C GLY A 49 -1.155 37.401 2.629 1.00 0.00 C ATOM 605 O GLY A 49 -0.422 37.086 3.569 1.00 0.00 O ATOM 0 H GLY A 49 -2.784 38.870 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.492 39.515 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.552 38.596 3.728 1.00 0.00 H new ATOM 609 N LYS A 50 -1.186 36.722 1.488 1.00 0.00 N ATOM 610 CA LYS A 50 -0.305 35.574 1.266 1.00 0.00 C ATOM 611 C LYS A 50 0.964 36.006 0.534 1.00 0.00 C ATOM 612 O LYS A 50 1.825 35.181 0.215 1.00 0.00 O ATOM 613 CB LYS A 50 -1.024 34.470 0.481 1.00 0.00 C ATOM 614 CG LYS A 50 -2.312 33.981 1.134 1.00 0.00 C ATOM 615 CD LYS A 50 -2.078 33.487 2.554 1.00 0.00 C ATOM 616 CE LYS A 50 -3.385 33.093 3.218 1.00 0.00 C ATOM 617 NZ LYS A 50 -3.191 32.684 4.629 1.00 0.00 N ATOM 0 H LYS A 50 -1.804 36.941 0.707 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.027 35.171 2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.253 34.840 -0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.347 33.625 0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.042 34.790 1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.739 33.176 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.402 32.632 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.591 34.268 3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.080 33.932 3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.841 32.273 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.108 32.423 5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.548 31.867 4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.780 33.474 5.166 1.00 0.00 H new ATOM 631 N GLU A 51 1.055 37.310 0.268 1.00 0.00 N ATOM 632 CA GLU A 51 2.206 37.924 -0.403 1.00 0.00 C ATOM 633 C GLU A 51 2.377 37.370 -1.824 1.00 0.00 C ATOM 634 O GLU A 51 3.491 37.241 -2.338 1.00 0.00 O ATOM 635 CB GLU A 51 3.486 37.750 0.434 1.00 0.00 C ATOM 636 CG GLU A 51 4.601 38.721 0.063 1.00 0.00 C ATOM 637 CD GLU A 51 5.711 38.750 1.086 1.00 0.00 C ATOM 638 OE1 GLU A 51 6.780 38.151 0.836 1.00 0.00 O ATOM 639 OE2 GLU A 51 5.520 39.374 2.154 1.00 0.00 O ATOM 0 H GLU A 51 0.325 37.978 0.514 1.00 0.00 H new ATOM 0 HA GLU A 51 2.016 38.994 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.240 37.880 1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.851 36.730 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.013 38.442 -0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.185 39.723 -0.044 1.00 0.00 H new ATOM 646 N CYS A 52 1.261 37.055 -2.449 1.00 0.00 N ATOM 647 CA CYS A 52 1.253 36.573 -3.812 1.00 0.00 C ATOM 648 C CYS A 52 1.321 37.745 -4.778 1.00 0.00 C ATOM 649 O CYS A 52 2.116 37.746 -5.722 1.00 0.00 O ATOM 650 CB CYS A 52 -0.005 35.764 -4.048 1.00 0.00 C ATOM 651 SG CYS A 52 -1.452 36.426 -3.217 1.00 0.00 S ATOM 0 H CYS A 52 0.336 37.126 -2.026 1.00 0.00 H new ATOM 0 HA CYS A 52 2.123 35.938 -3.981 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.201 35.717 -5.119 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.162 34.741 -3.710 1.00 0.00 H new ATOM 656 N THR A 53 0.478 38.747 -4.519 1.00 0.00 N ATOM 657 CA THR A 53 0.433 40.000 -5.285 1.00 0.00 C ATOM 658 C THR A 53 0.295 39.778 -6.794 1.00 0.00 C ATOM 659 O THR A 53 0.871 40.515 -7.603 1.00 0.00 O ATOM 660 CB THR A 53 1.658 40.904 -4.981 1.00 0.00 C ATOM 661 OG1 THR A 53 2.885 40.200 -5.224 1.00 0.00 O ATOM 662 CG2 THR A 53 1.620 41.366 -3.534 1.00 0.00 C ATOM 0 H THR A 53 -0.203 38.713 -3.761 1.00 0.00 H new ATOM 0 HA THR A 53 -0.469 40.514 -4.953 1.00 0.00 H new ATOM 0 HB THR A 53 1.612 41.769 -5.642 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.707 39.418 -5.787 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.484 41.999 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.705 41.932 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.644 40.499 -2.874 1.00 0.00 H new ATOM 670 N GLY A 54 -0.483 38.782 -7.168 1.00 0.00 N ATOM 671 CA GLY A 54 -0.693 38.515 -8.564 1.00 0.00 C ATOM 672 C GLY A 54 -0.746 37.040 -8.862 1.00 0.00 C ATOM 673 O GLY A 54 -0.211 36.241 -8.102 1.00 0.00 O ATOM 0 H GLY A 54 -0.972 38.155 -6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.624 38.982 -8.885 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.109 38.972 -9.144 1.00 0.00 H new ATOM 677 N PRO A 55 -1.380 36.647 -9.983 1.00 0.00 N ATOM 678 CA PRO A 55 -1.527 35.235 -10.363 1.00 0.00 C ATOM 679 C PRO A 55 -0.185 34.540 -10.579 1.00 0.00 C ATOM 680 O PRO A 55 -0.072 33.327 -10.396 1.00 0.00 O ATOM 681 CB PRO A 55 -2.319 35.288 -11.677 1.00 0.00 C ATOM 682 CG PRO A 55 -2.143 36.681 -12.182 1.00 0.00 C ATOM 683 CD PRO A 55 -2.003 37.549 -10.968 1.00 0.00 C ATOM 0 HA PRO A 55 -2.019 34.661 -9.578 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.942 34.558 -12.394 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.372 35.059 -11.512 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.261 36.756 -12.819 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.998 36.988 -12.784 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.381 38.422 -11.166 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.969 37.918 -10.623 1.00 0.00 H new ATOM 691 N ASP A 56 0.831 35.312 -10.951 1.00 0.00 N ATOM 692 CA ASP A 56 2.160 34.760 -11.197 1.00 0.00 C ATOM 693 C ASP A 56 2.738 34.132 -9.936 1.00 0.00 C ATOM 694 O ASP A 56 3.114 32.959 -9.930 1.00 0.00 O ATOM 695 CB ASP A 56 3.109 35.837 -11.719 1.00 0.00 C ATOM 696 CG ASP A 56 4.514 35.313 -11.927 1.00 0.00 C ATOM 697 OD1 ASP A 56 4.748 34.623 -12.939 1.00 0.00 O ATOM 698 OD2 ASP A 56 5.398 35.598 -11.081 1.00 0.00 O ATOM 0 H ASP A 56 0.760 36.320 -11.089 1.00 0.00 H new ATOM 0 HA ASP A 56 2.055 33.984 -11.955 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.727 36.229 -12.661 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.134 36.668 -11.015 1.00 0.00 H new ATOM 703 N SER A 57 2.787 34.905 -8.868 1.00 0.00 N ATOM 704 CA SER A 57 3.341 34.431 -7.613 1.00 0.00 C ATOM 705 C SER A 57 2.236 34.006 -6.643 1.00 0.00 C ATOM 706 O SER A 57 2.460 33.915 -5.435 1.00 0.00 O ATOM 707 CB SER A 57 4.198 35.527 -6.982 1.00 0.00 C ATOM 708 OG SER A 57 5.181 35.989 -7.896 1.00 0.00 O ATOM 0 H SER A 57 2.449 35.867 -8.844 1.00 0.00 H new ATOM 0 HA SER A 57 3.959 33.558 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.564 36.358 -6.673 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.682 35.144 -6.084 1.00 0.00 H new ATOM 0 HG SER A 57 5.717 36.691 -7.472 1.00 0.00 H new ATOM 714 N CYS A 58 1.051 33.731 -7.172 1.00 0.00 N ATOM 715 CA CYS A 58 -0.062 33.339 -6.346 1.00 0.00 C ATOM 716 C CYS A 58 0.112 31.914 -5.862 1.00 0.00 C ATOM 717 O CYS A 58 -0.044 30.957 -6.628 1.00 0.00 O ATOM 718 CB CYS A 58 -1.375 33.506 -7.097 1.00 0.00 C ATOM 719 SG CYS A 58 -2.807 33.694 -6.024 1.00 0.00 S ATOM 0 H CYS A 58 0.845 33.775 -8.170 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.091 33.991 -5.473 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.303 34.378 -7.747 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.527 32.640 -7.741 1.00 0.00 H new ATOM 724 N LYS A 59 0.455 31.783 -4.592 1.00 0.00 N ATOM 725 CA LYS A 59 0.706 30.485 -3.998 1.00 0.00 C ATOM 726 C LYS A 59 -0.587 29.830 -3.565 1.00 0.00 C ATOM 727 O LYS A 59 -0.659 28.610 -3.434 1.00 0.00 O ATOM 728 CB LYS A 59 1.657 30.617 -2.808 1.00 0.00 C ATOM 729 CG LYS A 59 2.920 31.408 -3.113 1.00 0.00 C ATOM 730 CD LYS A 59 3.684 30.820 -4.288 1.00 0.00 C ATOM 731 CE LYS A 59 4.880 31.683 -4.657 1.00 0.00 C ATOM 732 NZ LYS A 59 5.840 31.820 -3.534 1.00 0.00 N ATOM 0 H LYS A 59 0.566 32.568 -3.950 1.00 0.00 H new ATOM 0 HA LYS A 59 1.174 29.852 -4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.129 31.098 -1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.938 29.620 -2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.657 32.443 -3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.562 31.422 -2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.022 29.814 -4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.020 30.729 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.389 31.247 -5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.533 32.671 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.713 32.269 -3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.418 32.408 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.062 30.879 -3.151 1.00 0.00 H new ATOM 746 N CYS A 60 -1.610 30.633 -3.359 1.00 0.00 N ATOM 747 CA CYS A 60 -2.891 30.105 -2.961 1.00 0.00 C ATOM 748 C CYS A 60 -3.756 29.859 -4.188 1.00 0.00 C ATOM 749 O CYS A 60 -3.852 30.709 -5.077 1.00 0.00 O ATOM 750 CB CYS A 60 -3.584 31.021 -1.927 1.00 0.00 C ATOM 751 SG CYS A 60 -3.324 32.801 -2.171 1.00 0.00 S ATOM 0 H CYS A 60 -1.577 31.647 -3.461 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.737 29.147 -2.464 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.655 30.821 -1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.229 30.752 -0.932 1.00 0.00 H new ATOM 756 N GLY A 61 -4.376 28.702 -4.244 1.00 0.00 N ATOM 757 CA GLY A 61 -5.148 28.340 -5.403 1.00 0.00 C ATOM 758 C GLY A 61 -6.581 28.074 -5.065 1.00 0.00 C ATOM 759 O GLY A 61 -6.881 27.127 -4.336 1.00 0.00 O ATOM 0 H GLY A 61 -4.359 28.001 -3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.093 29.142 -6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.714 27.453 -5.864 1.00 0.00 H new ATOM 763 N SER A 62 -7.468 28.917 -5.591 1.00 0.00 N ATOM 764 CA SER A 62 -8.905 28.807 -5.355 1.00 0.00 C ATOM 765 C SER A 62 -9.268 29.022 -3.877 1.00 0.00 C ATOM 766 O SER A 62 -8.400 29.027 -3.004 1.00 0.00 O ATOM 767 CB SER A 62 -9.416 27.443 -5.834 1.00 0.00 C ATOM 768 OG SER A 62 -9.203 27.279 -7.228 1.00 0.00 O ATOM 0 H SER A 62 -7.209 29.697 -6.194 1.00 0.00 H new ATOM 0 HA SER A 62 -9.391 29.598 -5.927 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.906 26.648 -5.289 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.479 27.351 -5.612 1.00 0.00 H new ATOM 0 HG SER A 62 -9.838 26.621 -7.581 1.00 0.00 H new ATOM 774 N SER A 63 -10.555 29.270 -3.631 1.00 0.00 N ATOM 775 CA SER A 63 -11.121 29.387 -2.276 1.00 0.00 C ATOM 776 C SER A 63 -10.625 30.617 -1.473 1.00 0.00 C ATOM 777 O SER A 63 -11.318 31.071 -0.559 1.00 0.00 O ATOM 778 CB SER A 63 -10.866 28.098 -1.488 1.00 0.00 C ATOM 779 OG SER A 63 -11.277 26.956 -2.236 1.00 0.00 O ATOM 0 H SER A 63 -11.245 29.397 -4.371 1.00 0.00 H new ATOM 0 HA SER A 63 -12.191 29.544 -2.414 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.806 28.018 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.406 28.132 -0.542 1.00 0.00 H new ATOM 0 HG SER A 63 -11.104 26.144 -1.715 1.00 0.00 H new ATOM 785 N CYS A 64 -9.448 31.150 -1.798 1.00 0.00 N ATOM 786 CA CYS A 64 -8.912 32.277 -1.050 1.00 0.00 C ATOM 787 C CYS A 64 -9.662 33.572 -1.376 1.00 0.00 C ATOM 788 O CYS A 64 -10.366 33.659 -2.387 1.00 0.00 O ATOM 789 CB CYS A 64 -7.418 32.439 -1.320 1.00 0.00 C ATOM 790 SG CYS A 64 -6.610 33.666 -0.271 1.00 0.00 S ATOM 0 H CYS A 64 -8.858 30.823 -2.563 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.053 32.069 0.011 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -6.927 31.476 -1.179 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.276 32.719 -2.364 1.00 0.00 H new ATOM 795 N SER A 65 -9.490 34.573 -0.526 1.00 0.00 N ATOM 796 CA SER A 65 -10.161 35.850 -0.676 1.00 0.00 C ATOM 797 C SER A 65 -9.693 36.602 -1.925 1.00 0.00 C ATOM 798 O SER A 65 -10.438 37.400 -2.488 1.00 0.00 O ATOM 799 CB SER A 65 -9.951 36.692 0.581 1.00 0.00 C ATOM 800 OG SER A 65 -8.629 36.538 1.076 1.00 0.00 O ATOM 0 H SER A 65 -8.879 34.520 0.289 1.00 0.00 H new ATOM 0 HA SER A 65 -11.226 35.660 -0.806 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.140 37.742 0.357 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.668 36.395 1.347 1.00 0.00 H new ATOM 0 HG SER A 65 -8.515 37.087 1.880 1.00 0.00 H new ATOM 806 N CYS A 66 -8.464 36.340 -2.367 1.00 0.00 N ATOM 807 CA CYS A 66 -7.953 36.994 -3.564 1.00 0.00 C ATOM 808 C CYS A 66 -8.464 36.294 -4.822 1.00 0.00 C ATOM 809 O CYS A 66 -8.152 36.699 -5.936 1.00 0.00 O ATOM 810 CB CYS A 66 -6.414 37.049 -3.565 1.00 0.00 C ATOM 811 SG CYS A 66 -5.586 35.439 -3.603 1.00 0.00 S ATOM 0 H CYS A 66 -7.816 35.691 -1.922 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.323 38.019 -3.561 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.087 37.628 -4.429 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.085 37.588 -2.677 1.00 0.00 H new ATOM 816 N LYS A 67 -9.264 35.252 -4.632 1.00 0.00 N ATOM 817 CA LYS A 67 -9.817 34.486 -5.745 1.00 0.00 C ATOM 818 C LYS A 67 -11.261 34.911 -6.023 1.00 0.00 C ATOM 819 O LYS A 67 -11.456 35.980 -6.665 1.00 0.00 O ATOM 820 CB LYS A 67 -9.772 32.987 -5.423 1.00 0.00 C ATOM 821 CG LYS A 67 -8.392 32.471 -5.023 1.00 0.00 C ATOM 822 CD LYS A 67 -7.439 32.425 -6.204 1.00 0.00 C ATOM 823 CE LYS A 67 -6.234 33.320 -5.983 1.00 0.00 C ATOM 824 NZ LYS A 67 -5.393 32.876 -4.841 1.00 0.00 N ATOM 0 H LYS A 67 -9.546 34.915 -3.712 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.216 34.682 -6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.473 32.780 -4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.117 32.430 -6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.976 33.112 -4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.488 31.473 -4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.107 31.399 -6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.963 32.736 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.629 33.338 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.572 34.341 -5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.250 33.671 -4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.868 32.097 -4.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.471 32.549 -5.195 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 ZN ZN A 101 -16.239 29.780 -14.627 1.00 0.00 ZN HETATM 840 ZN ZN A 102 -15.735 33.457 -15.788 1.00 0.00 ZN HETATM 841 ZN ZN A 103 -16.515 32.627 -12.087 1.00 0.00 ZN HETATM 842 ZN ZN A 104 -3.423 35.744 -4.787 1.00 0.00 ZN HETATM 843 ZN ZN A 105 -4.852 34.625 -1.629 1.00 0.00 ZN HETATM 844 ZN ZN A 106 -2.580 37.880 -1.873 1.00 0.00 ZN