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 Set 1.1: A 1 GLY N :NH3+ 140:sc= 0.023 (180deg=-0.244) USER MOD Set 1.2: A 4 LYS NZ :NH3+ 163:sc= -0.0224 (180deg=-0.294) USER MOD Single : A 2 SER OG : rot 180:sc= 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 170:sc= 0.0134 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0074 USER MOD Single : A 16 SER OG : rot 58:sc= 1.21 USER MOD Single : A 20 GLN : amide:sc=-0.00269 X(o=-0.0027,f=-0.1) 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=-0.49) USER MOD Single : A 32 THR OG1 : rot 19:sc= 0.838 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.456 X(o=-0.46,f=-0.024) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0806 USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= -0.0133 (180deg=-0.142) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 13:sc= 0.743 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -106:sc= 3.44 (180deg=-0.482) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.524 10.048 -24.324 1.00 0.00 N ATOM 2 CA GLY A 1 -17.751 8.940 -23.355 1.00 0.00 C ATOM 3 C GLY A 1 -19.222 8.715 -23.070 1.00 0.00 C ATOM 4 O GLY A 1 -20.084 9.394 -23.636 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.700 10.608 -24.025 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.348 9.652 -25.269 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.365 10.659 -24.356 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.315 8.022 -23.749 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.233 9.164 -22.423 1.00 0.00 H new ATOM 7 N SER A 2 -19.512 7.768 -22.199 1.00 0.00 N ATOM 8 CA SER A 2 -20.879 7.461 -21.840 1.00 0.00 C ATOM 9 C SER A 2 -21.440 8.538 -20.913 1.00 0.00 C ATOM 10 O SER A 2 -20.961 8.713 -19.789 1.00 0.00 O ATOM 11 CB SER A 2 -20.945 6.091 -21.161 1.00 0.00 C ATOM 12 OG SER A 2 -20.320 5.097 -21.965 1.00 0.00 O ATOM 0 H SER A 2 -18.813 7.196 -21.725 1.00 0.00 H new ATOM 0 HA SER A 2 -21.483 7.436 -22.747 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.456 6.139 -20.188 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.985 5.819 -20.982 1.00 0.00 H new ATOM 0 HG SER A 2 -20.372 4.230 -21.512 1.00 0.00 H new ATOM 18 N GLY A 3 -22.426 9.276 -21.402 1.00 0.00 N ATOM 19 CA GLY A 3 -23.046 10.309 -20.599 1.00 0.00 C ATOM 20 C GLY A 3 -22.228 11.586 -20.547 1.00 0.00 C ATOM 21 O GLY A 3 -21.604 11.894 -19.529 1.00 0.00 O ATOM 0 H GLY A 3 -22.808 9.177 -22.343 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -24.034 10.532 -21.002 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -23.193 9.936 -19.585 1.00 0.00 H new ATOM 25 N LYS A 4 -22.222 12.325 -21.635 1.00 0.00 N ATOM 26 CA LYS A 4 -21.500 13.582 -21.691 1.00 0.00 C ATOM 27 C LYS A 4 -22.453 14.756 -21.530 1.00 0.00 C ATOM 28 O LYS A 4 -23.657 14.571 -21.348 1.00 0.00 O ATOM 29 CB LYS A 4 -20.710 13.706 -22.995 1.00 0.00 C ATOM 30 CG LYS A 4 -19.436 12.873 -23.038 1.00 0.00 C ATOM 31 CD LYS A 4 -18.469 13.289 -21.935 1.00 0.00 C ATOM 32 CE LYS A 4 -17.115 12.617 -22.093 1.00 0.00 C ATOM 33 NZ LYS A 4 -16.415 13.058 -23.328 1.00 0.00 N ATOM 0 H LYS A 4 -22.710 12.078 -22.496 1.00 0.00 H new ATOM 0 HA LYS A 4 -20.790 13.598 -20.864 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -21.352 13.410 -23.825 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -20.451 14.753 -23.151 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.685 11.817 -22.929 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.955 12.988 -24.009 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.342 14.371 -21.951 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.892 13.032 -20.964 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.495 12.842 -21.225 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.248 11.535 -22.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.406 12.815 -23.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.832 12.581 -24.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.517 14.087 -23.436 1.00 0.00 H new ATOM 47 N GLY A 5 -21.916 15.959 -21.600 1.00 0.00 N ATOM 48 CA GLY A 5 -22.727 17.136 -21.431 1.00 0.00 C ATOM 49 C GLY A 5 -22.095 18.113 -20.478 1.00 0.00 C ATOM 50 O GLY A 5 -22.296 19.316 -20.588 1.00 0.00 O ATOM 0 H GLY A 5 -20.927 16.140 -21.772 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -22.878 17.616 -22.398 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -23.711 16.850 -21.060 1.00 0.00 H new ATOM 54 N LYS A 6 -21.328 17.594 -19.535 1.00 0.00 N ATOM 55 CA LYS A 6 -20.643 18.429 -18.565 1.00 0.00 C ATOM 56 C LYS A 6 -19.138 18.318 -18.717 1.00 0.00 C ATOM 57 O LYS A 6 -18.539 17.293 -18.374 1.00 0.00 O ATOM 58 CB LYS A 6 -21.049 18.057 -17.143 1.00 0.00 C ATOM 59 CG LYS A 6 -22.485 18.395 -16.803 1.00 0.00 C ATOM 60 CD LYS A 6 -22.829 17.955 -15.397 1.00 0.00 C ATOM 61 CE LYS A 6 -24.234 18.366 -15.017 1.00 0.00 C ATOM 62 NZ LYS A 6 -24.618 17.843 -13.681 1.00 0.00 N ATOM 0 H LYS A 6 -21.164 16.594 -19.421 1.00 0.00 H new ATOM 0 HA LYS A 6 -20.937 19.461 -18.755 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -20.895 16.987 -17.000 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -20.390 18.570 -16.442 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -22.642 19.469 -16.900 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -23.154 17.910 -17.513 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -22.732 16.872 -15.319 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -22.119 18.390 -14.694 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -24.307 19.454 -15.017 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -24.935 17.999 -15.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -25.587 18.145 -13.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -24.572 16.804 -13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -23.964 18.213 -12.962 1.00 0.00 H new ATOM 76 N GLY A 7 -18.535 19.360 -19.244 1.00 0.00 N ATOM 77 CA GLY A 7 -17.093 19.373 -19.412 1.00 0.00 C ATOM 78 C GLY A 7 -16.454 20.535 -18.713 1.00 0.00 C ATOM 79 O GLY A 7 -15.224 20.621 -18.623 1.00 0.00 O ATOM 0 H GLY A 7 -19.012 20.204 -19.562 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.675 18.444 -19.025 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.853 19.413 -20.474 1.00 0.00 H new ATOM 83 N GLU A 8 -17.275 21.432 -18.217 1.00 0.00 N ATOM 84 CA GLU A 8 -16.791 22.581 -17.509 1.00 0.00 C ATOM 85 C GLU A 8 -17.283 22.538 -16.084 1.00 0.00 C ATOM 86 O GLU A 8 -18.366 22.021 -15.805 1.00 0.00 O ATOM 87 CB GLU A 8 -17.242 23.892 -18.175 1.00 0.00 C ATOM 88 CG GLU A 8 -16.769 24.076 -19.614 1.00 0.00 C ATOM 89 CD GLU A 8 -17.532 23.217 -20.595 1.00 0.00 C ATOM 90 OE1 GLU A 8 -16.900 22.572 -21.456 1.00 0.00 O ATOM 91 OE2 GLU A 8 -18.768 23.170 -20.504 1.00 0.00 O ATOM 0 H GLU A 8 -18.291 21.381 -18.295 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.701 22.555 -17.530 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -18.331 23.936 -18.157 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.879 24.729 -17.579 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.876 25.124 -19.896 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.708 23.836 -19.676 1.00 0.00 H new ATOM 98 N LYS A 9 -16.487 23.044 -15.194 1.00 0.00 N ATOM 99 CA LYS A 9 -16.842 23.103 -13.785 1.00 0.00 C ATOM 100 C LYS A 9 -17.328 24.504 -13.442 1.00 0.00 C ATOM 101 O LYS A 9 -17.189 24.970 -12.313 1.00 0.00 O ATOM 102 CB LYS A 9 -15.626 22.739 -12.932 1.00 0.00 C ATOM 103 CG LYS A 9 -14.981 21.419 -13.339 1.00 0.00 C ATOM 104 CD LYS A 9 -13.760 21.085 -12.498 1.00 0.00 C ATOM 105 CE LYS A 9 -14.130 20.810 -11.050 1.00 0.00 C ATOM 106 NZ LYS A 9 -12.972 20.316 -10.264 1.00 0.00 N ATOM 0 H LYS A 9 -15.569 23.432 -15.411 1.00 0.00 H new ATOM 0 HA LYS A 9 -17.641 22.391 -13.579 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.886 23.536 -13.007 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.928 22.681 -11.886 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.713 20.617 -13.246 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.693 21.468 -14.389 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.258 20.213 -12.917 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.051 21.912 -12.541 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.514 21.723 -10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.933 20.074 -11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.268 20.141 -9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.620 19.431 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.215 21.029 -10.275 1.00 0.00 H new ATOM 120 N CYS A 10 -17.915 25.161 -14.426 1.00 0.00 N ATOM 121 CA CYS A 10 -18.371 26.520 -14.270 1.00 0.00 C ATOM 122 C CYS A 10 -19.860 26.650 -14.549 1.00 0.00 C ATOM 123 O CYS A 10 -20.462 25.794 -15.201 1.00 0.00 O ATOM 124 CB CYS A 10 -17.578 27.440 -15.189 1.00 0.00 C ATOM 125 SG CYS A 10 -15.796 27.396 -14.904 1.00 0.00 S ATOM 0 H CYS A 10 -18.086 24.765 -15.350 1.00 0.00 H new ATOM 0 HA CYS A 10 -18.206 26.813 -13.233 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -17.778 27.164 -16.224 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -17.932 28.462 -15.058 1.00 0.00 H new ATOM 130 N THR A 11 -20.443 27.732 -14.063 1.00 0.00 N ATOM 131 CA THR A 11 -21.855 27.985 -14.228 1.00 0.00 C ATOM 132 C THR A 11 -22.141 28.677 -15.560 1.00 0.00 C ATOM 133 O THR A 11 -21.215 29.059 -16.286 1.00 0.00 O ATOM 134 CB THR A 11 -22.382 28.855 -13.078 1.00 0.00 C ATOM 135 OG1 THR A 11 -21.514 29.986 -12.896 1.00 0.00 O ATOM 136 CG2 THR A 11 -22.453 28.055 -11.788 1.00 0.00 C ATOM 0 H THR A 11 -19.947 28.457 -13.544 1.00 0.00 H new ATOM 0 HA THR A 11 -22.365 27.022 -14.218 1.00 0.00 H new ATOM 0 HB THR A 11 -23.386 29.196 -13.331 1.00 0.00 H new ATOM 0 HG1 THR A 11 -21.931 30.622 -12.278 1.00 0.00 H new ATOM 0 HG21 THR A 11 -22.829 28.690 -10.986 1.00 0.00 H new ATOM 0 HG22 THR A 11 -23.123 27.206 -11.923 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.458 27.694 -11.529 1.00 0.00 H new ATOM 144 N SER A 12 -23.419 28.844 -15.864 1.00 0.00 N ATOM 145 CA SER A 12 -23.859 29.477 -17.097 1.00 0.00 C ATOM 146 C SER A 12 -23.289 30.893 -17.231 1.00 0.00 C ATOM 147 O SER A 12 -22.931 31.328 -18.327 1.00 0.00 O ATOM 148 CB SER A 12 -25.384 29.520 -17.126 1.00 0.00 C ATOM 149 OG SER A 12 -25.927 28.258 -16.764 1.00 0.00 O ATOM 0 H SER A 12 -24.183 28.543 -15.259 1.00 0.00 H new ATOM 0 HA SER A 12 -23.490 28.890 -17.938 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.745 30.287 -16.441 1.00 0.00 H new ATOM 0 HB3 SER A 12 -25.726 29.797 -18.123 1.00 0.00 H new ATOM 0 HG SER A 12 -26.906 28.304 -16.786 1.00 0.00 H new ATOM 155 N ALA A 13 -23.193 31.596 -16.107 1.00 0.00 N ATOM 156 CA ALA A 13 -22.674 32.954 -16.088 1.00 0.00 C ATOM 157 C ALA A 13 -21.219 33.000 -16.539 1.00 0.00 C ATOM 158 O ALA A 13 -20.841 33.831 -17.362 1.00 0.00 O ATOM 159 CB ALA A 13 -22.820 33.556 -14.702 1.00 0.00 C ATOM 0 H ALA A 13 -23.471 31.242 -15.192 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.259 33.546 -16.792 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.427 34.573 -14.704 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.873 33.575 -14.422 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.264 32.954 -13.983 1.00 0.00 H new ATOM 165 N CYS A 14 -20.411 32.097 -16.015 1.00 0.00 N ATOM 166 CA CYS A 14 -19.000 32.041 -16.374 1.00 0.00 C ATOM 167 C CYS A 14 -18.847 31.581 -17.825 1.00 0.00 C ATOM 168 O CYS A 14 -17.923 31.981 -18.521 1.00 0.00 O ATOM 169 CB CYS A 14 -18.260 31.099 -15.424 1.00 0.00 C ATOM 170 SG CYS A 14 -16.451 31.146 -15.551 1.00 0.00 S ATOM 0 H CYS A 14 -20.704 31.391 -15.339 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.565 33.036 -16.283 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -18.544 31.343 -14.400 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.596 30.079 -15.613 1.00 0.00 H new ATOM 175 N ARG A 15 -19.789 30.763 -18.278 1.00 0.00 N ATOM 176 CA ARG A 15 -19.786 30.259 -19.653 1.00 0.00 C ATOM 177 C ARG A 15 -20.303 31.311 -20.639 1.00 0.00 C ATOM 178 O ARG A 15 -20.323 31.083 -21.849 1.00 0.00 O ATOM 179 CB ARG A 15 -20.633 28.987 -19.761 1.00 0.00 C ATOM 180 CG ARG A 15 -20.023 27.770 -19.083 1.00 0.00 C ATOM 181 CD ARG A 15 -18.742 27.334 -19.779 1.00 0.00 C ATOM 182 NE ARG A 15 -18.970 27.007 -21.190 1.00 0.00 N ATOM 183 CZ ARG A 15 -18.003 26.872 -22.098 1.00 0.00 C ATOM 184 NH1 ARG A 15 -16.730 27.012 -21.745 1.00 0.00 N ATOM 185 NH2 ARG A 15 -18.315 26.590 -23.358 1.00 0.00 N ATOM 0 H ARG A 15 -20.570 30.431 -17.713 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.753 30.027 -19.913 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -21.613 29.179 -19.324 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -20.793 28.759 -20.815 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.812 28.000 -18.039 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -20.740 26.949 -19.090 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.000 28.130 -19.706 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.329 26.465 -19.267 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.933 26.874 -21.498 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -16.490 27.223 -20.777 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.993 26.908 -22.442 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -19.292 26.477 -23.629 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -17.578 26.486 -24.055 1.00 0.00 H new ATOM 199 N SER A 16 -20.717 32.454 -20.124 1.00 0.00 N ATOM 200 CA SER A 16 -21.226 33.518 -20.961 1.00 0.00 C ATOM 201 C SER A 16 -20.083 34.363 -21.517 1.00 0.00 C ATOM 202 O SER A 16 -18.942 34.268 -21.048 1.00 0.00 O ATOM 203 CB SER A 16 -22.192 34.398 -20.163 1.00 0.00 C ATOM 204 OG SER A 16 -23.281 33.637 -19.653 1.00 0.00 O ATOM 0 H SER A 16 -20.710 32.667 -19.127 1.00 0.00 H new ATOM 0 HA SER A 16 -21.761 33.071 -21.799 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.659 34.872 -19.339 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.571 35.197 -20.800 1.00 0.00 H new ATOM 0 HG SER A 16 -22.938 32.914 -19.087 1.00 0.00 H new ATOM 210 N GLU A 17 -20.387 35.169 -22.515 1.00 0.00 N ATOM 211 CA GLU A 17 -19.410 36.055 -23.112 1.00 0.00 C ATOM 212 C GLU A 17 -20.011 37.451 -23.263 1.00 0.00 C ATOM 213 O GLU A 17 -20.991 37.634 -23.985 1.00 0.00 O ATOM 214 CB GLU A 17 -18.960 35.525 -24.471 1.00 0.00 C ATOM 215 CG GLU A 17 -17.887 36.368 -25.140 1.00 0.00 C ATOM 216 CD GLU A 17 -17.646 35.969 -26.577 1.00 0.00 C ATOM 217 OE1 GLU A 17 -16.841 35.052 -26.821 1.00 0.00 O ATOM 218 OE2 GLU A 17 -18.266 36.583 -27.480 1.00 0.00 O ATOM 0 H GLU A 17 -21.315 35.228 -22.933 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.537 36.106 -22.461 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.584 34.509 -24.347 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.825 35.466 -25.131 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.179 37.418 -25.102 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.956 36.276 -24.580 1.00 0.00 H new ATOM 225 N PRO A 18 -19.444 38.454 -22.572 1.00 0.00 N ATOM 226 CA PRO A 18 -18.282 38.268 -21.695 1.00 0.00 C ATOM 227 C PRO A 18 -18.634 37.493 -20.423 1.00 0.00 C ATOM 228 O PRO A 18 -19.807 37.211 -20.161 1.00 0.00 O ATOM 229 CB PRO A 18 -17.871 39.702 -21.348 1.00 0.00 C ATOM 230 CG PRO A 18 -19.130 40.485 -21.466 1.00 0.00 C ATOM 231 CD PRO A 18 -19.900 39.856 -22.591 1.00 0.00 C ATOM 0 HA PRO A 18 -17.495 37.687 -22.176 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -17.457 39.764 -20.342 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.107 40.073 -22.031 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -19.699 40.453 -20.537 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.920 41.534 -21.675 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -20.976 39.931 -22.433 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -19.683 40.337 -23.545 1.00 0.00 H new ATOM 239 N CYS A 19 -17.621 37.162 -19.644 1.00 0.00 N ATOM 240 CA CYS A 19 -17.798 36.396 -18.425 1.00 0.00 C ATOM 241 C CYS A 19 -18.776 37.112 -17.481 1.00 0.00 C ATOM 242 O CYS A 19 -18.511 38.221 -17.016 1.00 0.00 O ATOM 243 CB CYS A 19 -16.442 36.188 -17.752 1.00 0.00 C ATOM 244 SG CYS A 19 -16.369 34.772 -16.643 1.00 0.00 S ATOM 0 H CYS A 19 -16.653 37.417 -19.839 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.221 35.422 -18.669 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.682 36.069 -18.524 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.187 37.087 -17.190 1.00 0.00 H new ATOM 249 N GLN A 20 -19.905 36.473 -17.211 1.00 0.00 N ATOM 250 CA GLN A 20 -20.959 37.072 -16.390 1.00 0.00 C ATOM 251 C GLN A 20 -20.944 36.509 -14.992 1.00 0.00 C ATOM 252 O GLN A 20 -21.888 36.691 -14.226 1.00 0.00 O ATOM 253 CB GLN A 20 -22.322 36.819 -17.015 1.00 0.00 C ATOM 254 CG GLN A 20 -22.483 37.397 -18.399 1.00 0.00 C ATOM 255 CD GLN A 20 -22.283 38.896 -18.430 1.00 0.00 C ATOM 256 OE1 GLN A 20 -23.217 39.662 -18.215 1.00 0.00 O ATOM 257 NE2 GLN A 20 -21.077 39.322 -18.725 1.00 0.00 N ATOM 0 H GLN A 20 -20.120 35.535 -17.548 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.771 38.144 -16.340 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.495 35.744 -17.060 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -23.091 37.239 -16.366 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.767 36.925 -19.072 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.478 37.159 -18.775 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.327 38.652 -18.897 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -20.890 40.323 -18.782 1.00 0.00 H new ATOM 266 N CYS A 21 -19.877 35.829 -14.664 1.00 0.00 N ATOM 267 CA CYS A 21 -19.737 35.223 -13.358 1.00 0.00 C ATOM 268 C CYS A 21 -19.540 36.319 -12.300 1.00 0.00 C ATOM 269 O CYS A 21 -19.787 36.108 -11.103 1.00 0.00 O ATOM 270 CB CYS A 21 -18.562 34.253 -13.378 1.00 0.00 C ATOM 271 SG CYS A 21 -18.612 32.970 -12.125 1.00 0.00 S ATOM 0 H CYS A 21 -19.083 35.678 -15.287 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.639 34.666 -13.103 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -18.519 33.780 -14.359 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.640 34.821 -13.257 1.00 0.00 H new ATOM 276 N GLY A 22 -19.113 37.502 -12.772 1.00 0.00 N ATOM 277 CA GLY A 22 -18.922 38.653 -11.910 1.00 0.00 C ATOM 278 C GLY A 22 -17.930 38.405 -10.809 1.00 0.00 C ATOM 279 O GLY A 22 -17.026 37.592 -10.950 1.00 0.00 O ATOM 0 H GLY A 22 -18.896 37.675 -13.754 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -18.586 39.498 -12.511 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -19.880 38.935 -11.472 1.00 0.00 H new ATOM 283 N SER A 23 -18.090 39.107 -9.718 1.00 0.00 N ATOM 284 CA SER A 23 -17.236 38.921 -8.582 1.00 0.00 C ATOM 285 C SER A 23 -17.875 37.968 -7.588 1.00 0.00 C ATOM 286 O SER A 23 -17.267 37.613 -6.580 1.00 0.00 O ATOM 287 CB SER A 23 -16.904 40.258 -7.932 1.00 0.00 C ATOM 288 OG SER A 23 -16.172 41.082 -8.830 1.00 0.00 O ATOM 0 H SER A 23 -18.811 39.818 -9.595 1.00 0.00 H new ATOM 0 HA SER A 23 -16.300 38.476 -8.920 1.00 0.00 H new ATOM 0 HB2 SER A 23 -17.823 40.762 -7.634 1.00 0.00 H new ATOM 0 HB3 SER A 23 -16.323 40.093 -7.025 1.00 0.00 H new ATOM 0 HG SER A 23 -15.969 41.937 -8.397 1.00 0.00 H new ATOM 294 N LYS A 24 -19.106 37.539 -7.885 1.00 0.00 N ATOM 295 CA LYS A 24 -19.783 36.576 -7.046 1.00 0.00 C ATOM 296 C LYS A 24 -19.119 35.249 -7.232 1.00 0.00 C ATOM 297 O LYS A 24 -18.848 34.531 -6.264 1.00 0.00 O ATOM 298 CB LYS A 24 -21.263 36.477 -7.400 1.00 0.00 C ATOM 299 CG LYS A 24 -22.081 37.670 -6.955 1.00 0.00 C ATOM 300 CD LYS A 24 -23.553 37.467 -7.255 1.00 0.00 C ATOM 301 CE LYS A 24 -24.398 38.549 -6.615 1.00 0.00 C ATOM 302 NZ LYS A 24 -25.850 38.307 -6.800 1.00 0.00 N ATOM 0 H LYS A 24 -19.641 37.848 -8.697 1.00 0.00 H new ATOM 0 HA LYS A 24 -19.718 36.894 -6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -21.361 36.364 -8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -21.676 35.576 -6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -21.944 37.830 -5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -21.724 38.568 -7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -23.710 37.470 -8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -23.870 36.490 -6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -24.173 38.602 -5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -24.135 39.516 -7.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -26.390 39.071 -6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -26.071 38.283 -7.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -26.108 37.397 -6.368 1.00 0.00 H new ATOM 316 N CYS A 25 -18.853 34.940 -8.498 1.00 0.00 N ATOM 317 CA CYS A 25 -18.122 33.770 -8.894 1.00 0.00 C ATOM 318 C CYS A 25 -18.738 32.482 -8.354 1.00 0.00 C ATOM 319 O CYS A 25 -18.447 32.042 -7.231 1.00 0.00 O ATOM 320 CB CYS A 25 -16.680 33.902 -8.467 1.00 0.00 C ATOM 321 SG CYS A 25 -15.581 32.883 -9.412 1.00 0.00 S ATOM 0 H CYS A 25 -19.152 35.517 -9.284 1.00 0.00 H new ATOM 0 HA CYS A 25 -18.172 33.700 -9.981 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -16.373 34.943 -8.562 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -16.594 33.639 -7.413 1.00 0.00 H new ATOM 326 N GLN A 26 -19.590 31.887 -9.150 1.00 0.00 N ATOM 327 CA GLN A 26 -20.263 30.656 -8.762 1.00 0.00 C ATOM 328 C GLN A 26 -19.656 29.426 -9.433 1.00 0.00 C ATOM 329 O GLN A 26 -20.153 28.314 -9.258 1.00 0.00 O ATOM 330 CB GLN A 26 -21.748 30.744 -9.070 1.00 0.00 C ATOM 331 CG GLN A 26 -22.510 31.668 -8.142 1.00 0.00 C ATOM 332 CD GLN A 26 -23.948 31.856 -8.564 1.00 0.00 C ATOM 333 OE1 GLN A 26 -24.547 30.981 -9.194 1.00 0.00 O ATOM 334 NE2 GLN A 26 -24.516 32.987 -8.214 1.00 0.00 N ATOM 0 H GLN A 26 -19.840 32.231 -10.077 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.124 30.540 -7.687 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.877 31.087 -10.096 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.182 29.746 -9.011 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.482 31.265 -7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.014 32.638 -8.113 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.985 33.685 -7.693 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -25.488 33.168 -8.463 1.00 0.00 H new ATOM 343 N CYS A 27 -18.594 29.612 -10.190 1.00 0.00 N ATOM 344 CA CYS A 27 -17.952 28.486 -10.849 1.00 0.00 C ATOM 345 C CYS A 27 -16.907 27.851 -9.936 1.00 0.00 C ATOM 346 O CYS A 27 -16.648 28.345 -8.829 1.00 0.00 O ATOM 347 CB CYS A 27 -17.309 28.925 -12.158 1.00 0.00 C ATOM 348 SG CYS A 27 -15.934 30.052 -11.970 1.00 0.00 S ATOM 0 H CYS A 27 -18.160 30.518 -10.365 1.00 0.00 H new ATOM 0 HA CYS A 27 -18.718 27.742 -11.070 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -16.966 28.040 -12.694 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -18.068 29.399 -12.780 1.00 0.00 H new ATOM 353 N GLY A 28 -16.327 26.752 -10.384 1.00 0.00 N ATOM 354 CA GLY A 28 -15.298 26.101 -9.616 1.00 0.00 C ATOM 355 C GLY A 28 -13.923 26.485 -10.103 1.00 0.00 C ATOM 356 O GLY A 28 -13.437 27.578 -9.820 1.00 0.00 O ATOM 0 H GLY A 28 -16.553 26.299 -11.270 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.402 26.369 -8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.421 25.020 -9.683 1.00 0.00 H new ATOM 360 N GLU A 29 -13.298 25.594 -10.838 1.00 0.00 N ATOM 361 CA GLU A 29 -11.986 25.845 -11.399 1.00 0.00 C ATOM 362 C GLU A 29 -11.923 25.299 -12.803 1.00 0.00 C ATOM 363 O GLU A 29 -12.746 24.467 -13.190 1.00 0.00 O ATOM 364 CB GLU A 29 -10.885 25.197 -10.554 1.00 0.00 C ATOM 365 CG GLU A 29 -10.729 25.778 -9.162 1.00 0.00 C ATOM 366 CD GLU A 29 -9.617 25.115 -8.388 1.00 0.00 C ATOM 367 OE1 GLU A 29 -9.792 23.959 -7.965 1.00 0.00 O ATOM 368 OE2 GLU A 29 -8.560 25.741 -8.197 1.00 0.00 O ATOM 0 H GLU A 29 -13.682 24.676 -11.065 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.823 26.923 -11.408 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.093 24.131 -10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.936 25.294 -11.082 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.530 26.847 -9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.666 25.666 -8.616 1.00 0.00 H new ATOM 375 N GLY A 30 -10.959 25.762 -13.565 1.00 0.00 N ATOM 376 CA GLY A 30 -10.795 25.273 -14.905 1.00 0.00 C ATOM 377 C GLY A 30 -11.374 26.196 -15.940 1.00 0.00 C ATOM 378 O GLY A 30 -11.796 25.749 -17.001 1.00 0.00 O ATOM 0 H GLY A 30 -10.284 26.471 -13.279 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.733 25.130 -15.107 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.270 24.296 -14.990 1.00 0.00 H new ATOM 382 N CYS A 31 -11.418 27.476 -15.642 1.00 0.00 N ATOM 383 CA CYS A 31 -11.917 28.443 -16.599 1.00 0.00 C ATOM 384 C CYS A 31 -10.810 29.395 -17.008 1.00 0.00 C ATOM 385 O CYS A 31 -10.847 29.981 -18.093 1.00 0.00 O ATOM 386 CB CYS A 31 -13.082 29.212 -16.011 1.00 0.00 C ATOM 387 SG CYS A 31 -12.715 29.967 -14.427 1.00 0.00 S ATOM 0 H CYS A 31 -11.117 27.871 -14.751 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.264 27.911 -17.485 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.386 29.989 -16.713 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.931 28.538 -15.895 1.00 0.00 H new ATOM 392 N THR A 32 -9.807 29.528 -16.129 1.00 0.00 N ATOM 393 CA THR A 32 -8.652 30.405 -16.343 1.00 0.00 C ATOM 394 C THR A 32 -9.067 31.831 -16.716 1.00 0.00 C ATOM 395 O THR A 32 -8.401 32.495 -17.508 1.00 0.00 O ATOM 396 CB THR A 32 -7.659 29.830 -17.399 1.00 0.00 C ATOM 397 OG1 THR A 32 -8.339 29.510 -18.625 1.00 0.00 O ATOM 398 CG2 THR A 32 -6.972 28.582 -16.865 1.00 0.00 C ATOM 0 H THR A 32 -9.776 29.025 -15.242 1.00 0.00 H new ATOM 0 HA THR A 32 -8.131 30.449 -15.387 1.00 0.00 H new ATOM 0 HB THR A 32 -6.910 30.597 -17.599 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.197 29.982 -18.656 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.283 28.196 -17.617 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.419 28.831 -15.959 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.721 27.824 -16.636 1.00 0.00 H new ATOM 406 N CYS A 33 -10.162 32.301 -16.125 1.00 0.00 N ATOM 407 CA CYS A 33 -10.649 33.633 -16.388 1.00 0.00 C ATOM 408 C CYS A 33 -9.796 34.668 -15.687 1.00 0.00 C ATOM 409 O CYS A 33 -8.912 34.334 -14.896 1.00 0.00 O ATOM 410 CB CYS A 33 -12.093 33.771 -15.914 1.00 0.00 C ATOM 411 SG CYS A 33 -13.246 32.671 -16.736 1.00 0.00 S ATOM 0 H CYS A 33 -10.724 31.770 -15.460 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.598 33.801 -17.464 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.131 33.583 -14.841 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.417 34.800 -16.068 1.00 0.00 H new ATOM 416 N ALA A 34 -10.059 35.911 -15.999 1.00 0.00 N ATOM 417 CA ALA A 34 -9.417 37.034 -15.362 1.00 0.00 C ATOM 418 C ALA A 34 -10.478 38.070 -15.038 1.00 0.00 C ATOM 419 O ALA A 34 -10.179 39.196 -14.632 1.00 0.00 O ATOM 420 CB ALA A 34 -8.349 37.619 -16.269 1.00 0.00 C ATOM 0 H ALA A 34 -10.736 36.176 -16.714 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.926 36.712 -14.443 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.874 38.466 -15.773 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.599 36.858 -16.486 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.806 37.954 -17.200 1.00 0.00 H new ATOM 426 N ALA A 35 -11.732 37.658 -15.211 1.00 0.00 N ATOM 427 CA ALA A 35 -12.870 38.518 -14.973 1.00 0.00 C ATOM 428 C ALA A 35 -13.504 38.177 -13.649 1.00 0.00 C ATOM 429 O ALA A 35 -13.595 39.024 -12.756 1.00 0.00 O ATOM 430 CB ALA A 35 -13.888 38.395 -16.104 1.00 0.00 C ATOM 0 H ALA A 35 -11.979 36.718 -15.520 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.525 39.552 -14.942 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.735 39.051 -15.904 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.422 38.682 -17.046 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -14.235 37.364 -16.171 1.00 0.00 H new ATOM 436 N CYS A 36 -13.934 36.939 -13.508 1.00 0.00 N ATOM 437 CA CYS A 36 -14.513 36.507 -12.265 1.00 0.00 C ATOM 438 C CYS A 36 -13.408 36.050 -11.353 1.00 0.00 C ATOM 439 O CYS A 36 -13.323 36.453 -10.188 1.00 0.00 O ATOM 440 CB CYS A 36 -15.522 35.398 -12.504 1.00 0.00 C ATOM 441 SG CYS A 36 -14.838 33.866 -13.173 1.00 0.00 S ATOM 0 H CYS A 36 -13.892 36.225 -14.235 1.00 0.00 H new ATOM 0 HA CYS A 36 -15.046 37.334 -11.797 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -16.021 35.173 -11.561 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -16.286 35.765 -13.189 1.00 0.00 H new ATOM 446 N LYS A 37 -12.535 35.242 -11.909 1.00 0.00 N ATOM 447 CA LYS A 37 -11.394 34.761 -11.206 1.00 0.00 C ATOM 448 C LYS A 37 -10.203 35.639 -11.514 1.00 0.00 C ATOM 449 O LYS A 37 -9.509 35.443 -12.497 1.00 0.00 O ATOM 450 CB LYS A 37 -11.100 33.294 -11.560 1.00 0.00 C ATOM 451 CG LYS A 37 -9.806 32.775 -10.959 1.00 0.00 C ATOM 452 CD LYS A 37 -9.623 31.294 -11.181 1.00 0.00 C ATOM 453 CE LYS A 37 -8.302 30.832 -10.594 1.00 0.00 C ATOM 454 NZ LYS A 37 -8.125 29.372 -10.712 1.00 0.00 N ATOM 0 H LYS A 37 -12.607 34.904 -12.869 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.599 34.802 -10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.927 32.672 -11.216 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.055 33.192 -12.644 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.964 33.312 -11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.796 32.983 -9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.445 30.746 -10.720 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.652 31.073 -12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.482 31.339 -11.103 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.252 31.120 -9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.210 29.099 -10.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.893 28.887 -10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.147 29.100 -11.715 1.00 0.00 H new ATOM 468 N THR A 38 -10.001 36.630 -10.698 1.00 0.00 N ATOM 469 CA THR A 38 -8.897 37.527 -10.874 1.00 0.00 C ATOM 470 C THR A 38 -8.267 37.804 -9.527 1.00 0.00 C ATOM 471 O THR A 38 -8.880 37.542 -8.490 1.00 0.00 O ATOM 472 CB THR A 38 -9.344 38.853 -11.551 1.00 0.00 C ATOM 473 OG1 THR A 38 -8.200 39.644 -11.899 1.00 0.00 O ATOM 474 CG2 THR A 38 -10.264 39.658 -10.637 1.00 0.00 C ATOM 0 H THR A 38 -10.594 36.839 -9.895 1.00 0.00 H new ATOM 0 HA THR A 38 -8.166 37.059 -11.533 1.00 0.00 H new ATOM 0 HB THR A 38 -9.895 38.595 -12.455 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.495 40.475 -12.326 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.559 40.580 -11.138 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.152 39.070 -10.405 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.738 39.900 -9.713 1.00 0.00 H new ATOM 482 N CYS A 39 -7.054 38.300 -9.532 1.00 0.00 N ATOM 483 CA CYS A 39 -6.367 38.583 -8.300 1.00 0.00 C ATOM 484 C CYS A 39 -6.297 40.086 -8.075 1.00 0.00 C ATOM 485 O CYS A 39 -5.962 40.850 -8.987 1.00 0.00 O ATOM 486 CB CYS A 39 -4.972 37.971 -8.319 1.00 0.00 C ATOM 487 SG CYS A 39 -4.177 37.911 -6.707 1.00 0.00 S ATOM 0 H CYS A 39 -6.524 38.515 -10.376 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.922 38.137 -7.474 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.036 36.959 -8.719 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.344 38.544 -9.001 1.00 0.00 H new ATOM 492 N ASN A 40 -6.621 40.508 -6.868 1.00 0.00 N ATOM 493 CA ASN A 40 -6.645 41.928 -6.528 1.00 0.00 C ATOM 494 C ASN A 40 -5.283 42.373 -6.013 1.00 0.00 C ATOM 495 O ASN A 40 -5.045 43.560 -5.783 1.00 0.00 O ATOM 496 CB ASN A 40 -7.717 42.210 -5.456 1.00 0.00 C ATOM 497 CG ASN A 40 -9.110 41.697 -5.820 1.00 0.00 C ATOM 498 OD1 ASN A 40 -9.892 41.326 -4.944 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.432 41.677 -7.102 1.00 0.00 N ATOM 0 H ASN A 40 -6.874 39.888 -6.099 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.888 42.489 -7.431 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.406 41.752 -4.517 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.770 43.285 -5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.353 41.347 -7.391 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.760 41.992 -7.802 1.00 0.00 H new ATOM 506 N CYS A 41 -4.395 41.418 -5.842 1.00 0.00 N ATOM 507 CA CYS A 41 -3.078 41.681 -5.308 1.00 0.00 C ATOM 508 C CYS A 41 -2.146 42.250 -6.355 1.00 0.00 C ATOM 509 O CYS A 41 -2.222 41.896 -7.534 1.00 0.00 O ATOM 510 CB CYS A 41 -2.504 40.404 -4.742 1.00 0.00 C ATOM 511 SG CYS A 41 -3.607 39.593 -3.586 1.00 0.00 S ATOM 0 H CYS A 41 -4.566 40.438 -6.069 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.175 42.428 -4.520 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.277 39.720 -5.560 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.562 40.626 -4.242 1.00 0.00 H new ATOM 516 N THR A 42 -1.275 43.135 -5.923 1.00 0.00 N ATOM 517 CA THR A 42 -0.304 43.737 -6.796 1.00 0.00 C ATOM 518 C THR A 42 1.086 43.312 -6.359 1.00 0.00 C ATOM 519 O THR A 42 1.247 42.724 -5.288 1.00 0.00 O ATOM 520 CB THR A 42 -0.403 45.278 -6.754 1.00 0.00 C ATOM 521 OG1 THR A 42 -0.058 45.750 -5.442 1.00 0.00 O ATOM 522 CG2 THR A 42 -1.816 45.735 -7.092 1.00 0.00 C ATOM 0 H THR A 42 -1.224 43.455 -4.956 1.00 0.00 H new ATOM 0 HA THR A 42 -0.499 43.406 -7.816 1.00 0.00 H new ATOM 0 HB THR A 42 0.288 45.687 -7.491 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.120 46.728 -5.419 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.865 46.823 -7.057 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.080 45.392 -8.092 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.516 45.317 -6.369 1.00 0.00 H new ATOM 530 N SER A 43 2.084 43.606 -7.167 1.00 0.00 N ATOM 531 CA SER A 43 3.454 43.264 -6.830 1.00 0.00 C ATOM 532 C SER A 43 3.998 44.181 -5.732 1.00 0.00 C ATOM 533 O SER A 43 5.059 43.926 -5.158 1.00 0.00 O ATOM 534 CB SER A 43 4.326 43.321 -8.079 1.00 0.00 C ATOM 535 OG SER A 43 3.953 44.412 -8.915 1.00 0.00 O ATOM 0 H SER A 43 1.974 44.081 -8.063 1.00 0.00 H new ATOM 0 HA SER A 43 3.473 42.246 -6.440 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.373 43.420 -7.791 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.235 42.387 -8.633 1.00 0.00 H new ATOM 0 HG SER A 43 4.528 44.428 -9.708 1.00 0.00 H new ATOM 541 N ASP A 44 3.257 45.241 -5.440 1.00 0.00 N ATOM 542 CA ASP A 44 3.643 46.186 -4.408 1.00 0.00 C ATOM 543 C ASP A 44 3.065 45.784 -3.065 1.00 0.00 C ATOM 544 O ASP A 44 3.682 45.997 -2.021 1.00 0.00 O ATOM 545 CB ASP A 44 3.184 47.597 -4.773 1.00 0.00 C ATOM 546 CG ASP A 44 3.457 48.607 -3.678 1.00 0.00 C ATOM 547 OD1 ASP A 44 4.631 48.981 -3.485 1.00 0.00 O ATOM 548 OD2 ASP A 44 2.492 49.050 -3.018 1.00 0.00 O ATOM 0 H ASP A 44 2.380 45.467 -5.909 1.00 0.00 H new ATOM 0 HA ASP A 44 4.730 46.178 -4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.689 47.913 -5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.116 47.582 -4.988 1.00 0.00 H new ATOM 553 N GLY A 45 1.890 45.189 -3.092 1.00 0.00 N ATOM 554 CA GLY A 45 1.253 44.788 -1.872 1.00 0.00 C ATOM 555 C GLY A 45 0.230 43.709 -2.089 1.00 0.00 C ATOM 556 O GLY A 45 -0.661 43.840 -2.938 1.00 0.00 O ATOM 0 H GLY A 45 1.367 44.977 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.008 44.434 -1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.773 45.653 -1.414 1.00 0.00 H new ATOM 560 N CYS A 46 0.361 42.640 -1.340 1.00 0.00 N ATOM 561 CA CYS A 46 -0.569 41.543 -1.409 1.00 0.00 C ATOM 562 C CYS A 46 -1.849 41.943 -0.680 1.00 0.00 C ATOM 563 O CYS A 46 -1.792 42.498 0.416 1.00 0.00 O ATOM 564 CB CYS A 46 0.052 40.303 -0.775 1.00 0.00 C ATOM 565 SG CYS A 46 -0.724 38.755 -1.264 1.00 0.00 S ATOM 0 H CYS A 46 1.116 42.508 -0.667 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.806 41.311 -2.447 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.109 40.265 -1.038 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.003 40.397 0.310 1.00 0.00 H new ATOM 570 N LYS A 47 -2.993 41.670 -1.280 1.00 0.00 N ATOM 571 CA LYS A 47 -4.262 42.111 -0.709 1.00 0.00 C ATOM 572 C LYS A 47 -4.937 41.035 0.122 1.00 0.00 C ATOM 573 O LYS A 47 -5.843 41.327 0.906 1.00 0.00 O ATOM 574 CB LYS A 47 -5.203 42.617 -1.803 1.00 0.00 C ATOM 575 CG LYS A 47 -4.688 43.852 -2.528 1.00 0.00 C ATOM 576 CD LYS A 47 -4.479 45.018 -1.571 1.00 0.00 C ATOM 577 CE LYS A 47 -3.959 46.247 -2.295 1.00 0.00 C ATOM 578 NZ LYS A 47 -4.937 46.769 -3.282 1.00 0.00 N ATOM 0 H LYS A 47 -3.075 41.151 -2.154 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.031 42.934 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.363 41.820 -2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.173 42.844 -1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.748 43.616 -3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.396 44.140 -3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.420 45.257 -1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.774 44.728 -0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.728 47.025 -1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.027 46.000 -2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.627 47.704 -3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.998 46.116 -4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.871 46.854 -2.833 1.00 0.00 H new ATOM 592 N CYS A 48 -4.516 39.804 -0.039 1.00 0.00 N ATOM 593 CA CYS A 48 -5.093 38.722 0.738 1.00 0.00 C ATOM 594 C CYS A 48 -4.147 38.316 1.862 1.00 0.00 C ATOM 595 O CYS A 48 -4.579 38.018 2.981 1.00 0.00 O ATOM 596 CB CYS A 48 -5.380 37.532 -0.154 1.00 0.00 C ATOM 597 SG CYS A 48 -3.902 36.800 -0.858 1.00 0.00 S ATOM 0 H CYS A 48 -3.785 39.523 -0.692 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.029 39.069 1.175 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.913 36.775 0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.043 37.843 -0.961 1.00 0.00 H new ATOM 602 N GLY A 49 -2.859 38.300 1.556 1.00 0.00 N ATOM 603 CA GLY A 49 -1.869 37.950 2.539 1.00 0.00 C ATOM 604 C GLY A 49 -1.195 36.621 2.246 1.00 0.00 C ATOM 605 O GLY A 49 -0.394 36.135 3.045 1.00 0.00 O ATOM 0 H GLY A 49 -2.484 38.526 0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.113 38.734 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.339 37.905 3.522 1.00 0.00 H new ATOM 609 N LYS A 50 -1.515 36.027 1.098 1.00 0.00 N ATOM 610 CA LYS A 50 -0.908 34.754 0.705 1.00 0.00 C ATOM 611 C LYS A 50 0.435 34.993 0.015 1.00 0.00 C ATOM 612 O LYS A 50 1.131 34.045 -0.367 1.00 0.00 O ATOM 613 CB LYS A 50 -1.840 33.967 -0.226 1.00 0.00 C ATOM 614 CG LYS A 50 -3.231 33.700 0.343 1.00 0.00 C ATOM 615 CD LYS A 50 -3.176 32.927 1.650 1.00 0.00 C ATOM 616 CE LYS A 50 -4.574 32.564 2.129 1.00 0.00 C ATOM 617 NZ LYS A 50 -4.552 31.860 3.436 1.00 0.00 N ATOM 0 H LYS A 50 -2.186 36.402 0.427 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.744 34.167 1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.944 34.515 -1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.371 33.013 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.744 34.648 0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.818 33.140 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.587 32.020 1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.672 33.525 2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.173 33.470 2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.059 31.931 1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.525 31.632 3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.002 30.982 3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.113 32.473 4.153 1.00 0.00 H new ATOM 631 N GLU A 51 0.776 36.275 -0.142 1.00 0.00 N ATOM 632 CA GLU A 51 2.019 36.722 -0.779 1.00 0.00 C ATOM 633 C GLU A 51 2.067 36.304 -2.256 1.00 0.00 C ATOM 634 O GLU A 51 3.137 36.192 -2.852 1.00 0.00 O ATOM 635 CB GLU A 51 3.257 36.208 -0.020 1.00 0.00 C ATOM 636 CG GLU A 51 4.529 36.989 -0.336 1.00 0.00 C ATOM 637 CD GLU A 51 5.770 36.374 0.271 1.00 0.00 C ATOM 638 OE1 GLU A 51 6.395 35.514 -0.387 1.00 0.00 O ATOM 639 OE2 GLU A 51 6.144 36.758 1.396 1.00 0.00 O ATOM 0 H GLU A 51 0.187 37.045 0.175 1.00 0.00 H new ATOM 0 HA GLU A 51 2.034 37.811 -0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.064 36.260 1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.414 35.158 -0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.652 37.049 -1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.421 38.010 0.029 1.00 0.00 H new ATOM 646 N CYS A 52 0.904 36.093 -2.844 1.00 0.00 N ATOM 647 CA CYS A 52 0.822 35.728 -4.244 1.00 0.00 C ATOM 648 C CYS A 52 1.196 36.921 -5.112 1.00 0.00 C ATOM 649 O CYS A 52 1.950 36.791 -6.075 1.00 0.00 O ATOM 650 CB CYS A 52 -0.579 35.238 -4.574 1.00 0.00 C ATOM 651 SG CYS A 52 -1.890 36.264 -3.898 1.00 0.00 S ATOM 0 H CYS A 52 0.003 36.168 -2.372 1.00 0.00 H new ATOM 0 HA CYS A 52 1.524 34.919 -4.447 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.691 35.191 -5.657 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.696 34.222 -4.197 1.00 0.00 H new ATOM 656 N THR A 53 0.671 38.090 -4.740 1.00 0.00 N ATOM 657 CA THR A 53 0.964 39.367 -5.406 1.00 0.00 C ATOM 658 C THR A 53 0.772 39.305 -6.926 1.00 0.00 C ATOM 659 O THR A 53 1.551 39.880 -7.688 1.00 0.00 O ATOM 660 CB THR A 53 2.392 39.878 -5.067 1.00 0.00 C ATOM 661 OG1 THR A 53 3.386 38.905 -5.421 1.00 0.00 O ATOM 662 CG2 THR A 53 2.501 40.203 -3.585 1.00 0.00 C ATOM 0 H THR A 53 0.022 38.181 -3.958 1.00 0.00 H new ATOM 0 HA THR A 53 0.236 40.078 -5.014 1.00 0.00 H new ATOM 0 HB THR A 53 2.568 40.783 -5.648 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.981 38.213 -5.985 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.507 40.560 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.777 40.976 -3.328 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.297 39.306 -3.000 1.00 0.00 H new ATOM 670 N GLY A 54 -0.268 38.621 -7.359 1.00 0.00 N ATOM 671 CA GLY A 54 -0.537 38.526 -8.769 1.00 0.00 C ATOM 672 C GLY A 54 -1.113 37.184 -9.147 1.00 0.00 C ATOM 673 O GLY A 54 -0.787 36.178 -8.526 1.00 0.00 O ATOM 0 H GLY A 54 -0.930 38.130 -6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.233 39.313 -9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.385 38.694 -9.326 1.00 0.00 H new ATOM 677 N PRO A 55 -1.959 37.136 -10.189 1.00 0.00 N ATOM 678 CA PRO A 55 -2.623 35.897 -10.627 1.00 0.00 C ATOM 679 C PRO A 55 -1.631 34.822 -11.082 1.00 0.00 C ATOM 680 O PRO A 55 -1.917 33.630 -11.004 1.00 0.00 O ATOM 681 CB PRO A 55 -3.504 36.352 -11.801 1.00 0.00 C ATOM 682 CG PRO A 55 -2.914 37.647 -12.248 1.00 0.00 C ATOM 683 CD PRO A 55 -2.335 38.288 -11.025 1.00 0.00 C ATOM 0 HA PRO A 55 -3.182 35.433 -9.814 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.499 35.617 -12.606 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.541 36.477 -11.491 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.145 37.484 -13.003 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.674 38.285 -12.699 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.473 38.910 -11.266 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.060 38.929 -10.524 1.00 0.00 H new ATOM 691 N ASP A 56 -0.463 35.254 -11.534 1.00 0.00 N ATOM 692 CA ASP A 56 0.576 34.339 -12.007 1.00 0.00 C ATOM 693 C ASP A 56 1.206 33.569 -10.853 1.00 0.00 C ATOM 694 O ASP A 56 1.751 32.484 -11.044 1.00 0.00 O ATOM 695 CB ASP A 56 1.657 35.103 -12.772 1.00 0.00 C ATOM 696 CG ASP A 56 1.170 35.628 -14.105 1.00 0.00 C ATOM 697 OD1 ASP A 56 1.648 35.136 -15.156 1.00 0.00 O ATOM 698 OD2 ASP A 56 0.312 36.535 -14.117 1.00 0.00 O ATOM 0 H ASP A 56 -0.206 36.240 -11.585 1.00 0.00 H new ATOM 0 HA ASP A 56 0.102 33.623 -12.678 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.006 35.937 -12.163 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.513 34.448 -12.935 1.00 0.00 H new ATOM 703 N SER A 57 1.129 34.132 -9.662 1.00 0.00 N ATOM 704 CA SER A 57 1.678 33.492 -8.479 1.00 0.00 C ATOM 705 C SER A 57 0.571 33.230 -7.466 1.00 0.00 C ATOM 706 O SER A 57 0.830 32.954 -6.295 1.00 0.00 O ATOM 707 CB SER A 57 2.757 34.380 -7.855 1.00 0.00 C ATOM 708 OG SER A 57 3.765 34.708 -8.804 1.00 0.00 O ATOM 0 H SER A 57 0.690 35.036 -9.487 1.00 0.00 H new ATOM 0 HA SER A 57 2.126 32.541 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.303 35.294 -7.472 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.207 33.867 -7.005 1.00 0.00 H new ATOM 0 HG SER A 57 4.441 35.277 -8.380 1.00 0.00 H new ATOM 714 N CYS A 58 -0.659 33.302 -7.933 1.00 0.00 N ATOM 715 CA CYS A 58 -1.805 33.142 -7.081 1.00 0.00 C ATOM 716 C CYS A 58 -2.124 31.672 -6.880 1.00 0.00 C ATOM 717 O CYS A 58 -2.641 30.998 -7.783 1.00 0.00 O ATOM 718 CB CYS A 58 -2.993 33.881 -7.668 1.00 0.00 C ATOM 719 SG CYS A 58 -4.354 34.092 -6.526 1.00 0.00 S ATOM 0 H CYS A 58 -0.885 33.473 -8.913 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.579 33.569 -6.104 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.664 34.862 -8.011 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.348 33.339 -8.545 1.00 0.00 H new ATOM 724 N LYS A 59 -1.812 31.185 -5.695 1.00 0.00 N ATOM 725 CA LYS A 59 -2.001 29.785 -5.351 1.00 0.00 C ATOM 726 C LYS A 59 -3.322 29.569 -4.628 1.00 0.00 C ATOM 727 O LYS A 59 -3.776 28.437 -4.469 1.00 0.00 O ATOM 728 CB LYS A 59 -0.848 29.323 -4.468 1.00 0.00 C ATOM 729 CG LYS A 59 0.520 29.586 -5.076 1.00 0.00 C ATOM 730 CD LYS A 59 1.635 29.345 -4.076 1.00 0.00 C ATOM 731 CE LYS A 59 1.705 27.891 -3.649 1.00 0.00 C ATOM 732 NZ LYS A 59 2.863 27.635 -2.761 1.00 0.00 N ATOM 0 H LYS A 59 -1.419 31.748 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.022 29.202 -6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.913 29.829 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.953 28.255 -4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.663 28.941 -5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.568 30.615 -5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.588 29.641 -4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.479 29.974 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.784 27.619 -3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.776 27.256 -4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.878 26.631 -2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.743 27.871 -3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.782 28.223 -1.907 1.00 0.00 H new ATOM 746 N CYS A 60 -3.935 30.652 -4.190 1.00 0.00 N ATOM 747 CA CYS A 60 -5.194 30.567 -3.471 1.00 0.00 C ATOM 748 C CYS A 60 -6.377 30.621 -4.435 1.00 0.00 C ATOM 749 O CYS A 60 -6.305 31.263 -5.491 1.00 0.00 O ATOM 750 CB CYS A 60 -5.278 31.666 -2.413 1.00 0.00 C ATOM 751 SG CYS A 60 -4.537 33.231 -2.915 1.00 0.00 S ATOM 0 H CYS A 60 -3.583 31.601 -4.319 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.238 29.606 -2.958 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.325 31.836 -2.164 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.786 31.319 -1.504 1.00 0.00 H new ATOM 756 N GLY A 61 -7.460 29.955 -4.072 1.00 0.00 N ATOM 757 CA GLY A 61 -8.608 29.863 -4.952 1.00 0.00 C ATOM 758 C GLY A 61 -9.486 31.099 -4.945 1.00 0.00 C ATOM 759 O GLY A 61 -9.102 32.150 -4.423 1.00 0.00 O ATOM 0 H GLY A 61 -7.567 29.473 -3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.261 29.681 -5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.208 29.001 -4.662 1.00 0.00 H new ATOM 763 N SER A 62 -10.671 30.961 -5.518 1.00 0.00 N ATOM 764 CA SER A 62 -11.624 32.049 -5.651 1.00 0.00 C ATOM 765 C SER A 62 -12.279 32.397 -4.313 1.00 0.00 C ATOM 766 O SER A 62 -12.903 33.446 -4.171 1.00 0.00 O ATOM 767 CB SER A 62 -12.682 31.676 -6.687 1.00 0.00 C ATOM 768 OG SER A 62 -12.063 31.260 -7.900 1.00 0.00 O ATOM 0 H SER A 62 -11.001 30.078 -5.908 1.00 0.00 H new ATOM 0 HA SER A 62 -11.086 32.936 -5.984 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.313 30.876 -6.300 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.331 32.531 -6.877 1.00 0.00 H new ATOM 0 HG SER A 62 -12.753 31.022 -8.554 1.00 0.00 H new ATOM 774 N SER A 63 -12.118 31.528 -3.329 1.00 0.00 N ATOM 775 CA SER A 63 -12.686 31.766 -2.015 1.00 0.00 C ATOM 776 C SER A 63 -11.739 32.599 -1.146 1.00 0.00 C ATOM 777 O SER A 63 -11.872 32.632 0.079 1.00 0.00 O ATOM 778 CB SER A 63 -13.009 30.440 -1.326 1.00 0.00 C ATOM 779 OG SER A 63 -13.904 29.664 -2.114 1.00 0.00 O ATOM 0 H SER A 63 -11.600 30.654 -3.416 1.00 0.00 H new ATOM 0 HA SER A 63 -13.610 32.330 -2.145 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.089 29.880 -1.156 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.451 30.632 -0.348 1.00 0.00 H new ATOM 0 HG SER A 63 -14.096 28.819 -1.655 1.00 0.00 H new ATOM 785 N CYS A 64 -10.790 33.275 -1.775 1.00 0.00 N ATOM 786 CA CYS A 64 -9.874 34.112 -1.044 1.00 0.00 C ATOM 787 C CYS A 64 -10.311 35.577 -1.146 1.00 0.00 C ATOM 788 O CYS A 64 -11.225 35.906 -1.907 1.00 0.00 O ATOM 789 CB CYS A 64 -8.450 33.924 -1.560 1.00 0.00 C ATOM 790 SG CYS A 64 -7.180 34.605 -0.469 1.00 0.00 S ATOM 0 H CYS A 64 -10.641 33.256 -2.784 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.888 33.822 0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.262 32.859 -1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.364 34.394 -2.540 1.00 0.00 H new ATOM 795 N SER A 65 -9.658 36.446 -0.394 1.00 0.00 N ATOM 796 CA SER A 65 -10.030 37.854 -0.354 1.00 0.00 C ATOM 797 C SER A 65 -9.460 38.642 -1.537 1.00 0.00 C ATOM 798 O SER A 65 -9.843 39.785 -1.769 1.00 0.00 O ATOM 799 CB SER A 65 -9.578 38.474 0.966 1.00 0.00 C ATOM 800 OG SER A 65 -10.105 37.745 2.064 1.00 0.00 O ATOM 0 H SER A 65 -8.865 36.203 0.200 1.00 0.00 H new ATOM 0 HA SER A 65 -11.116 37.908 -0.430 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.489 38.483 1.017 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.908 39.512 1.019 1.00 0.00 H new ATOM 0 HG SER A 65 -9.805 38.154 2.902 1.00 0.00 H new ATOM 806 N CYS A 66 -8.555 38.034 -2.283 1.00 0.00 N ATOM 807 CA CYS A 66 -7.963 38.695 -3.439 1.00 0.00 C ATOM 808 C CYS A 66 -8.728 38.353 -4.706 1.00 0.00 C ATOM 809 O CYS A 66 -8.244 38.569 -5.808 1.00 0.00 O ATOM 810 CB CYS A 66 -6.508 38.278 -3.599 1.00 0.00 C ATOM 811 SG CYS A 66 -6.266 36.498 -3.787 1.00 0.00 S ATOM 0 H CYS A 66 -8.213 37.088 -2.113 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.015 39.771 -3.274 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.090 38.784 -4.469 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.946 38.620 -2.730 1.00 0.00 H new ATOM 816 N LYS A 67 -9.922 37.832 -4.546 1.00 0.00 N ATOM 817 CA LYS A 67 -10.722 37.414 -5.680 1.00 0.00 C ATOM 818 C LYS A 67 -11.960 38.294 -5.834 1.00 0.00 C ATOM 819 O LYS A 67 -12.913 38.124 -5.023 1.00 0.00 O ATOM 820 CB LYS A 67 -11.112 35.951 -5.507 1.00 0.00 C ATOM 821 CG LYS A 67 -9.918 35.044 -5.225 1.00 0.00 C ATOM 822 CD LYS A 67 -9.123 34.748 -6.489 1.00 0.00 C ATOM 823 CE LYS A 67 -7.626 34.894 -6.259 1.00 0.00 C ATOM 824 NZ LYS A 67 -7.103 33.993 -5.196 1.00 0.00 N ATOM 0 H LYS A 67 -10.365 37.686 -3.639 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.132 37.523 -6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.827 35.866 -4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.618 35.607 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.268 35.517 -4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.267 34.109 -4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.342 33.736 -6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.437 35.425 -7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.100 34.688 -7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.406 35.927 -5.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.897 34.548 -4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.815 33.268 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.232 33.533 -5.529 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 ZN ZN A 101 -15.207 29.721 -14.200 1.00 0.00 ZN HETATM 840 ZN ZN A 102 -15.265 33.202 -15.518 1.00 0.00 ZN HETATM 841 ZN ZN A 103 -16.294 32.520 -11.654 1.00 0.00 ZN HETATM 842 ZN ZN A 104 -4.179 36.231 -5.147 1.00 0.00 ZN HETATM 843 ZN ZN A 105 -5.491 35.294 -1.928 1.00 0.00 ZN HETATM 844 ZN ZN A 106 -2.564 37.907 -2.293 1.00 0.00 ZN