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 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 11 THR OG1 : rot 152:sc= -0.165 USER MOD Set 2.2: A 26 GLN : amide:sc= 0.784 K(o=0.62,f=-2.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= -0.0155 (180deg=-0.162) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= 1.17 (180deg=0.483) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.508 K(o=0.51,f=-0.74) 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 32 THR OG1 : rot 20:sc= 1.08 USER MOD Single : A 37 LYS NZ :NH3+ 167:sc= -0.729! (180deg=-1.22!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.3 K(o=1.3,f=-0.023) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 17:sc= 0.803 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0126 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -137:sc= 2.23 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.235 19.547 -2.525 1.00 0.00 N ATOM 2 CA GLY A 1 -7.714 19.573 -3.936 1.00 0.00 C ATOM 3 C GLY A 1 -7.247 20.806 -4.685 1.00 0.00 C ATOM 4 O GLY A 1 -8.046 21.490 -5.337 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.581 18.685 -2.057 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.195 19.555 -2.511 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.594 20.383 -2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.359 18.682 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.803 19.536 -3.947 1.00 0.00 H new ATOM 7 N SER A 2 -5.964 21.099 -4.591 1.00 0.00 N ATOM 8 CA SER A 2 -5.393 22.251 -5.255 1.00 0.00 C ATOM 9 C SER A 2 -5.161 21.956 -6.737 1.00 0.00 C ATOM 10 O SER A 2 -4.240 21.211 -7.099 1.00 0.00 O ATOM 11 CB SER A 2 -4.078 22.657 -4.575 1.00 0.00 C ATOM 12 OG SER A 2 -3.550 23.850 -5.134 1.00 0.00 O ATOM 0 H SER A 2 -5.293 20.548 -4.055 1.00 0.00 H new ATOM 0 HA SER A 2 -6.096 23.081 -5.178 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.248 22.798 -3.508 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.350 21.852 -4.678 1.00 0.00 H new ATOM 0 HG SER A 2 -2.714 24.083 -4.679 1.00 0.00 H new ATOM 18 N GLY A 3 -6.018 22.518 -7.586 1.00 0.00 N ATOM 19 CA GLY A 3 -5.888 22.325 -9.014 1.00 0.00 C ATOM 20 C GLY A 3 -6.201 20.908 -9.432 1.00 0.00 C ATOM 21 O GLY A 3 -5.501 20.326 -10.262 1.00 0.00 O ATOM 0 H GLY A 3 -6.803 23.106 -7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.557 23.011 -9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.873 22.576 -9.321 1.00 0.00 H new ATOM 25 N LYS A 4 -7.244 20.348 -8.854 1.00 0.00 N ATOM 26 CA LYS A 4 -7.644 18.988 -9.163 1.00 0.00 C ATOM 27 C LYS A 4 -8.746 18.956 -10.205 1.00 0.00 C ATOM 28 O LYS A 4 -9.190 20.002 -10.690 1.00 0.00 O ATOM 29 CB LYS A 4 -8.079 18.247 -7.896 1.00 0.00 C ATOM 30 CG LYS A 4 -6.921 17.700 -7.079 1.00 0.00 C ATOM 31 CD LYS A 4 -6.227 16.555 -7.807 1.00 0.00 C ATOM 32 CE LYS A 4 -5.026 16.042 -7.031 1.00 0.00 C ATOM 33 NZ LYS A 4 -3.945 17.053 -6.958 1.00 0.00 N ATOM 0 H LYS A 4 -7.833 20.815 -8.165 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.776 18.478 -9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.664 18.924 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.736 17.423 -8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.204 18.497 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.286 17.352 -6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.935 15.741 -7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.907 16.892 -8.793 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.335 15.767 -6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.646 15.137 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.070 16.602 -6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.784 17.458 -7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.221 17.809 -6.299 1.00 0.00 H new ATOM 47 N GLY A 5 -9.181 17.757 -10.540 1.00 0.00 N ATOM 48 CA GLY A 5 -10.201 17.589 -11.538 1.00 0.00 C ATOM 49 C GLY A 5 -11.587 17.849 -11.008 1.00 0.00 C ATOM 50 O GLY A 5 -12.287 16.927 -10.590 1.00 0.00 O ATOM 0 H GLY A 5 -8.839 16.888 -10.131 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.003 18.264 -12.370 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.153 16.574 -11.933 1.00 0.00 H new ATOM 54 N LYS A 6 -11.975 19.101 -11.002 1.00 0.00 N ATOM 55 CA LYS A 6 -13.305 19.483 -10.589 1.00 0.00 C ATOM 56 C LYS A 6 -14.202 19.581 -11.811 1.00 0.00 C ATOM 57 O LYS A 6 -15.422 19.711 -11.703 1.00 0.00 O ATOM 58 CB LYS A 6 -13.275 20.814 -9.827 1.00 0.00 C ATOM 59 CG LYS A 6 -12.473 20.753 -8.532 1.00 0.00 C ATOM 60 CD LYS A 6 -12.516 22.071 -7.766 1.00 0.00 C ATOM 61 CE LYS A 6 -13.929 22.423 -7.317 1.00 0.00 C ATOM 62 NZ LYS A 6 -13.952 23.619 -6.432 1.00 0.00 N ATOM 0 H LYS A 6 -11.381 19.882 -11.282 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.703 18.725 -9.915 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.851 21.584 -10.472 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.297 21.116 -9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.865 19.955 -7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.437 20.500 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.864 22.006 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.126 22.870 -8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.552 22.608 -8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.364 21.574 -6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.878 23.686 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.205 23.534 -5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.790 24.475 -7.000 1.00 0.00 H new ATOM 76 N GLY A 7 -13.577 19.510 -12.978 1.00 0.00 N ATOM 77 CA GLY A 7 -14.300 19.560 -14.222 1.00 0.00 C ATOM 78 C GLY A 7 -14.452 20.965 -14.723 1.00 0.00 C ATOM 79 O GLY A 7 -13.537 21.522 -15.327 1.00 0.00 O ATOM 0 H GLY A 7 -12.566 19.417 -13.080 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.778 18.962 -14.970 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.285 19.114 -14.088 1.00 0.00 H new ATOM 83 N GLU A 8 -15.594 21.541 -14.467 1.00 0.00 N ATOM 84 CA GLU A 8 -15.875 22.890 -14.879 1.00 0.00 C ATOM 85 C GLU A 8 -16.706 23.577 -13.813 1.00 0.00 C ATOM 86 O GLU A 8 -16.233 24.495 -13.133 1.00 0.00 O ATOM 87 CB GLU A 8 -16.634 22.881 -16.205 1.00 0.00 C ATOM 88 CG GLU A 8 -16.858 24.252 -16.794 1.00 0.00 C ATOM 89 CD GLU A 8 -17.867 24.238 -17.908 1.00 0.00 C ATOM 90 OE1 GLU A 8 -19.037 23.885 -17.647 1.00 0.00 O ATOM 91 OE2 GLU A 8 -17.511 24.590 -19.049 1.00 0.00 O ATOM 0 H GLU A 8 -16.358 21.088 -13.966 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.938 23.431 -15.013 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.083 22.274 -16.923 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.600 22.399 -16.055 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.195 24.931 -16.010 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.912 24.643 -17.169 1.00 0.00 H new ATOM 98 N LYS A 9 -17.944 23.092 -13.655 1.00 0.00 N ATOM 99 CA LYS A 9 -18.895 23.633 -12.687 1.00 0.00 C ATOM 100 C LYS A 9 -19.167 25.107 -12.957 1.00 0.00 C ATOM 101 O LYS A 9 -19.407 25.884 -12.038 1.00 0.00 O ATOM 102 CB LYS A 9 -18.396 23.425 -11.247 1.00 0.00 C ATOM 103 CG LYS A 9 -18.185 21.958 -10.860 1.00 0.00 C ATOM 104 CD LYS A 9 -19.439 21.114 -11.102 1.00 0.00 C ATOM 105 CE LYS A 9 -20.629 21.616 -10.295 1.00 0.00 C ATOM 106 NZ LYS A 9 -21.868 20.860 -10.604 1.00 0.00 N ATOM 0 H LYS A 9 -18.311 22.311 -14.199 1.00 0.00 H new ATOM 0 HA LYS A 9 -19.833 23.089 -12.800 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -17.456 23.961 -11.119 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -19.113 23.871 -10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.355 21.547 -11.435 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.905 21.897 -9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -19.688 21.130 -12.163 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -19.234 20.076 -10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -20.408 21.530 -9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -20.788 22.674 -10.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -22.654 21.233 -10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -22.094 20.962 -11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -21.726 19.854 -10.381 1.00 0.00 H new ATOM 120 N CYS A 10 -19.149 25.476 -14.226 1.00 0.00 N ATOM 121 CA CYS A 10 -19.377 26.847 -14.612 1.00 0.00 C ATOM 122 C CYS A 10 -20.828 27.113 -14.911 1.00 0.00 C ATOM 123 O CYS A 10 -21.518 26.295 -15.525 1.00 0.00 O ATOM 124 CB CYS A 10 -18.508 27.233 -15.795 1.00 0.00 C ATOM 125 SG CYS A 10 -16.748 27.223 -15.425 1.00 0.00 S ATOM 0 H CYS A 10 -18.978 24.839 -15.004 1.00 0.00 H new ATOM 0 HA CYS A 10 -19.098 27.469 -13.761 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -18.702 26.545 -16.618 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -18.794 28.228 -16.137 1.00 0.00 H new ATOM 130 N THR A 11 -21.285 28.255 -14.479 1.00 0.00 N ATOM 131 CA THR A 11 -22.645 28.648 -14.677 1.00 0.00 C ATOM 132 C THR A 11 -22.781 29.478 -15.954 1.00 0.00 C ATOM 133 O THR A 11 -21.785 29.744 -16.646 1.00 0.00 O ATOM 134 CB THR A 11 -23.144 29.448 -13.466 1.00 0.00 C ATOM 135 OG1 THR A 11 -22.356 30.638 -13.314 1.00 0.00 O ATOM 136 CG2 THR A 11 -23.034 28.609 -12.197 1.00 0.00 C ATOM 0 H THR A 11 -20.719 28.940 -13.978 1.00 0.00 H new ATOM 0 HA THR A 11 -23.256 27.751 -14.782 1.00 0.00 H new ATOM 0 HB THR A 11 -24.188 29.715 -13.630 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.897 31.337 -12.891 1.00 0.00 H new ATOM 0 HG21 THR A 11 -23.391 29.188 -11.346 1.00 0.00 H new ATOM 0 HG22 THR A 11 -23.639 27.709 -12.303 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.993 28.330 -12.035 1.00 0.00 H new ATOM 144 N SER A 12 -23.999 29.895 -16.254 1.00 0.00 N ATOM 145 CA SER A 12 -24.281 30.670 -17.449 1.00 0.00 C ATOM 146 C SER A 12 -23.580 32.026 -17.407 1.00 0.00 C ATOM 147 O SER A 12 -23.281 32.611 -18.443 1.00 0.00 O ATOM 148 CB SER A 12 -25.787 30.852 -17.594 1.00 0.00 C ATOM 149 OG SER A 12 -26.454 29.601 -17.500 1.00 0.00 O ATOM 0 H SER A 12 -24.819 29.706 -15.677 1.00 0.00 H new ATOM 0 HA SER A 12 -23.898 30.128 -18.313 1.00 0.00 H new ATOM 0 HB2 SER A 12 -26.154 31.525 -16.819 1.00 0.00 H new ATOM 0 HB3 SER A 12 -26.012 31.319 -18.553 1.00 0.00 H new ATOM 0 HG SER A 12 -27.420 29.737 -17.594 1.00 0.00 H new ATOM 155 N ALA A 13 -23.314 32.514 -16.201 1.00 0.00 N ATOM 156 CA ALA A 13 -22.638 33.782 -16.023 1.00 0.00 C ATOM 157 C ALA A 13 -21.201 33.706 -16.528 1.00 0.00 C ATOM 158 O ALA A 13 -20.732 34.600 -17.225 1.00 0.00 O ATOM 159 CB ALA A 13 -22.668 34.192 -14.559 1.00 0.00 C ATOM 0 H ALA A 13 -23.560 32.043 -15.330 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.163 34.537 -16.609 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.157 35.147 -14.438 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.702 34.290 -14.230 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.167 33.433 -13.958 1.00 0.00 H new ATOM 165 N CYS A 14 -20.518 32.627 -16.191 1.00 0.00 N ATOM 166 CA CYS A 14 -19.131 32.448 -16.597 1.00 0.00 C ATOM 167 C CYS A 14 -19.038 32.080 -18.069 1.00 0.00 C ATOM 168 O CYS A 14 -18.097 32.457 -18.761 1.00 0.00 O ATOM 169 CB CYS A 14 -18.462 31.367 -15.756 1.00 0.00 C ATOM 170 SG CYS A 14 -16.702 31.147 -16.100 1.00 0.00 S ATOM 0 H CYS A 14 -20.899 31.860 -15.637 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.614 33.395 -16.440 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -18.587 31.613 -14.702 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.975 30.420 -15.925 1.00 0.00 H new ATOM 175 N ARG A 15 -20.028 31.355 -18.552 1.00 0.00 N ATOM 176 CA ARG A 15 -20.031 30.921 -19.939 1.00 0.00 C ATOM 177 C ARG A 15 -20.504 32.039 -20.866 1.00 0.00 C ATOM 178 O ARG A 15 -20.580 31.862 -22.081 1.00 0.00 O ATOM 179 CB ARG A 15 -20.904 29.681 -20.112 1.00 0.00 C ATOM 180 CG ARG A 15 -20.527 28.839 -21.322 1.00 0.00 C ATOM 181 CD ARG A 15 -21.414 27.611 -21.448 1.00 0.00 C ATOM 182 NE ARG A 15 -21.592 26.932 -20.162 1.00 0.00 N ATOM 183 CZ ARG A 15 -20.734 26.060 -19.632 1.00 0.00 C ATOM 184 NH1 ARG A 15 -19.614 25.745 -20.268 1.00 0.00 N ATOM 185 NH2 ARG A 15 -20.996 25.509 -18.458 1.00 0.00 N ATOM 0 H ARG A 15 -20.838 31.054 -18.009 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.007 30.667 -20.212 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -20.831 29.067 -19.215 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -21.945 29.989 -20.204 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.610 29.443 -22.226 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.485 28.529 -21.240 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -22.387 27.905 -21.841 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -20.976 26.919 -22.167 1.00 0.00 H new ATOM 0 HE ARG A 15 -22.437 27.143 -19.631 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.403 26.171 -21.170 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -18.963 25.077 -19.855 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.853 25.752 -17.961 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -20.341 24.842 -18.050 1.00 0.00 H new ATOM 199 N SER A 16 -20.814 33.185 -20.293 1.00 0.00 N ATOM 200 CA SER A 16 -21.251 34.320 -21.068 1.00 0.00 C ATOM 201 C SER A 16 -20.045 35.145 -21.497 1.00 0.00 C ATOM 202 O SER A 16 -18.956 35.009 -20.936 1.00 0.00 O ATOM 203 CB SER A 16 -22.226 35.178 -20.253 1.00 0.00 C ATOM 204 OG SER A 16 -22.812 36.201 -21.051 1.00 0.00 O ATOM 0 H SER A 16 -20.770 33.351 -19.288 1.00 0.00 H new ATOM 0 HA SER A 16 -21.770 33.965 -21.958 1.00 0.00 H new ATOM 0 HB2 SER A 16 -23.010 34.545 -19.838 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.700 35.628 -19.411 1.00 0.00 H new ATOM 0 HG SER A 16 -23.430 36.729 -20.504 1.00 0.00 H new ATOM 210 N GLU A 17 -20.238 35.988 -22.491 1.00 0.00 N ATOM 211 CA GLU A 17 -19.175 36.838 -22.990 1.00 0.00 C ATOM 212 C GLU A 17 -19.692 38.259 -23.168 1.00 0.00 C ATOM 213 O GLU A 17 -20.611 38.492 -23.955 1.00 0.00 O ATOM 214 CB GLU A 17 -18.626 36.306 -24.316 1.00 0.00 C ATOM 215 CG GLU A 17 -18.077 34.890 -24.234 1.00 0.00 C ATOM 216 CD GLU A 17 -17.364 34.471 -25.493 1.00 0.00 C ATOM 217 OE1 GLU A 17 -16.125 34.590 -25.541 1.00 0.00 O ATOM 218 OE2 GLU A 17 -18.037 34.027 -26.451 1.00 0.00 O ATOM 0 H GLU A 17 -21.129 36.103 -22.973 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.363 36.839 -22.263 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.419 36.335 -25.063 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.836 36.972 -24.664 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.390 34.819 -23.391 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.896 34.198 -24.037 1.00 0.00 H new ATOM 225 N PRO A 18 -19.132 39.235 -22.430 1.00 0.00 N ATOM 226 CA PRO A 18 -18.038 39.002 -21.466 1.00 0.00 C ATOM 227 C PRO A 18 -18.491 38.192 -20.248 1.00 0.00 C ATOM 228 O PRO A 18 -19.691 38.021 -20.015 1.00 0.00 O ATOM 229 CB PRO A 18 -17.636 40.417 -21.041 1.00 0.00 C ATOM 230 CG PRO A 18 -18.858 41.236 -21.266 1.00 0.00 C ATOM 231 CD PRO A 18 -19.528 40.651 -22.474 1.00 0.00 C ATOM 0 HA PRO A 18 -17.227 38.422 -21.906 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -17.327 40.445 -19.996 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.797 40.785 -21.632 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -19.517 41.201 -20.398 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.602 42.283 -21.430 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -20.611 40.767 -22.429 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -19.194 41.134 -23.392 1.00 0.00 H new ATOM 239 N CYS A 19 -17.525 37.710 -19.483 1.00 0.00 N ATOM 240 CA CYS A 19 -17.785 36.888 -18.317 1.00 0.00 C ATOM 241 C CYS A 19 -18.586 37.676 -17.275 1.00 0.00 C ATOM 242 O CYS A 19 -18.257 38.826 -16.955 1.00 0.00 O ATOM 243 CB CYS A 19 -16.462 36.402 -17.735 1.00 0.00 C ATOM 244 SG CYS A 19 -16.589 34.900 -16.755 1.00 0.00 S ATOM 0 H CYS A 19 -16.534 37.880 -19.656 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.380 36.023 -18.609 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.761 36.230 -18.552 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.040 37.192 -17.114 1.00 0.00 H new ATOM 249 N GLN A 20 -19.632 37.052 -16.747 1.00 0.00 N ATOM 250 CA GLN A 20 -20.555 37.723 -15.834 1.00 0.00 C ATOM 251 C GLN A 20 -20.490 37.164 -14.423 1.00 0.00 C ATOM 252 O GLN A 20 -21.410 37.368 -13.627 1.00 0.00 O ATOM 253 CB GLN A 20 -21.969 37.579 -16.363 1.00 0.00 C ATOM 254 CG GLN A 20 -22.128 38.070 -17.776 1.00 0.00 C ATOM 255 CD GLN A 20 -21.960 39.568 -17.891 1.00 0.00 C ATOM 256 OE1 GLN A 20 -22.314 40.318 -16.980 1.00 0.00 O ATOM 257 NE2 GLN A 20 -21.394 40.010 -18.988 1.00 0.00 N ATOM 0 H GLN A 20 -19.865 36.077 -16.936 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.262 38.772 -15.783 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.263 36.530 -16.315 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -22.650 38.131 -15.715 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.395 37.576 -18.414 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.114 37.789 -18.146 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -21.116 39.354 -19.718 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.232 41.009 -19.111 1.00 0.00 H new ATOM 266 N CYS A 21 -19.418 36.471 -14.102 1.00 0.00 N ATOM 267 CA CYS A 21 -19.278 35.911 -12.758 1.00 0.00 C ATOM 268 C CYS A 21 -19.163 37.015 -11.703 1.00 0.00 C ATOM 269 O CYS A 21 -19.589 36.837 -10.559 1.00 0.00 O ATOM 270 CB CYS A 21 -18.100 34.949 -12.679 1.00 0.00 C ATOM 271 SG CYS A 21 -18.560 33.209 -12.869 1.00 0.00 S ATOM 0 H CYS A 21 -18.640 36.280 -14.733 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.183 35.343 -12.544 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.378 35.210 -13.452 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.600 35.080 -11.719 1.00 0.00 H new ATOM 276 N GLY A 22 -18.591 38.148 -12.105 1.00 0.00 N ATOM 277 CA GLY A 22 -18.494 39.308 -11.231 1.00 0.00 C ATOM 278 C GLY A 22 -17.734 39.052 -9.940 1.00 0.00 C ATOM 279 O GLY A 22 -16.678 38.412 -9.942 1.00 0.00 O ATOM 0 H GLY A 22 -18.188 38.284 -13.032 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -18.005 40.118 -11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -19.500 39.650 -10.986 1.00 0.00 H new ATOM 283 N SER A 23 -18.271 39.562 -8.845 1.00 0.00 N ATOM 284 CA SER A 23 -17.644 39.441 -7.540 1.00 0.00 C ATOM 285 C SER A 23 -18.168 38.221 -6.788 1.00 0.00 C ATOM 286 O SER A 23 -17.656 37.866 -5.720 1.00 0.00 O ATOM 287 CB SER A 23 -17.898 40.710 -6.722 1.00 0.00 C ATOM 288 OG SER A 23 -17.514 41.870 -7.451 1.00 0.00 O ATOM 0 H SER A 23 -19.154 40.072 -8.836 1.00 0.00 H new ATOM 0 HA SER A 23 -16.572 39.313 -7.687 1.00 0.00 H new ATOM 0 HB2 SER A 23 -18.954 40.773 -6.460 1.00 0.00 H new ATOM 0 HB3 SER A 23 -17.340 40.662 -5.787 1.00 0.00 H new ATOM 0 HG SER A 23 -17.687 42.669 -6.910 1.00 0.00 H new ATOM 294 N LYS A 24 -19.190 37.587 -7.336 1.00 0.00 N ATOM 295 CA LYS A 24 -19.753 36.410 -6.715 1.00 0.00 C ATOM 296 C LYS A 24 -19.027 35.179 -7.185 1.00 0.00 C ATOM 297 O LYS A 24 -18.585 34.363 -6.378 1.00 0.00 O ATOM 298 CB LYS A 24 -21.242 36.285 -7.024 1.00 0.00 C ATOM 299 CG LYS A 24 -22.096 37.365 -6.390 1.00 0.00 C ATOM 300 CD LYS A 24 -23.561 37.150 -6.702 1.00 0.00 C ATOM 301 CE LYS A 24 -24.437 38.152 -5.976 1.00 0.00 C ATOM 302 NZ LYS A 24 -25.870 37.950 -6.288 1.00 0.00 N ATOM 0 H LYS A 24 -19.642 37.869 -8.206 1.00 0.00 H new ATOM 0 HA LYS A 24 -19.635 36.508 -5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -21.382 36.313 -8.105 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -21.593 35.311 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -21.947 37.365 -5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -21.782 38.343 -6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -23.722 37.236 -7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -23.850 36.139 -6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -24.282 38.060 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -24.142 39.164 -6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -26.439 38.652 -5.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -26.022 38.062 -7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -26.157 36.993 -5.998 1.00 0.00 H new ATOM 316 N CYS A 25 -18.888 35.070 -8.501 1.00 0.00 N ATOM 317 CA CYS A 25 -18.242 33.938 -9.136 1.00 0.00 C ATOM 318 C CYS A 25 -18.981 32.652 -8.789 1.00 0.00 C ATOM 319 O CYS A 25 -18.724 32.013 -7.767 1.00 0.00 O ATOM 320 CB CYS A 25 -16.772 33.858 -8.751 1.00 0.00 C ATOM 321 SG CYS A 25 -15.780 32.916 -9.910 1.00 0.00 S ATOM 0 H CYS A 25 -19.225 35.773 -9.159 1.00 0.00 H new ATOM 0 HA CYS A 25 -18.284 34.074 -10.217 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -16.369 34.868 -8.676 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -16.687 33.407 -7.762 1.00 0.00 H new ATOM 326 N GLN A 26 -19.908 32.293 -9.645 1.00 0.00 N ATOM 327 CA GLN A 26 -20.789 31.162 -9.400 1.00 0.00 C ATOM 328 C GLN A 26 -20.177 29.832 -9.831 1.00 0.00 C ATOM 329 O GLN A 26 -20.740 28.775 -9.561 1.00 0.00 O ATOM 330 CB GLN A 26 -22.106 31.376 -10.132 1.00 0.00 C ATOM 331 CG GLN A 26 -22.763 32.712 -9.844 1.00 0.00 C ATOM 332 CD GLN A 26 -23.931 32.990 -10.763 1.00 0.00 C ATOM 333 OE1 GLN A 26 -23.961 32.528 -11.905 1.00 0.00 O ATOM 334 NE2 GLN A 26 -24.896 33.740 -10.277 1.00 0.00 N ATOM 0 H GLN A 26 -20.077 32.771 -10.530 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.952 31.108 -8.324 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.931 31.293 -11.205 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.796 30.577 -9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -23.106 32.730 -8.810 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.025 33.507 -9.949 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -24.831 34.102 -9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -25.710 33.960 -10.851 1.00 0.00 H new ATOM 343 N CYS A 27 -19.041 29.875 -10.491 1.00 0.00 N ATOM 344 CA CYS A 27 -18.423 28.655 -10.981 1.00 0.00 C ATOM 345 C CYS A 27 -17.283 28.203 -10.083 1.00 0.00 C ATOM 346 O CYS A 27 -17.016 28.802 -9.034 1.00 0.00 O ATOM 347 CB CYS A 27 -17.896 28.863 -12.385 1.00 0.00 C ATOM 348 SG CYS A 27 -16.504 29.984 -12.471 1.00 0.00 S ATOM 0 H CYS A 27 -18.527 30.731 -10.701 1.00 0.00 H new ATOM 0 HA CYS A 27 -19.190 27.880 -10.982 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -17.601 27.899 -12.800 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -18.700 29.247 -13.012 1.00 0.00 H new ATOM 353 N GLY A 28 -16.619 27.137 -10.500 1.00 0.00 N ATOM 354 CA GLY A 28 -15.478 26.629 -9.769 1.00 0.00 C ATOM 355 C GLY A 28 -14.160 27.059 -10.399 1.00 0.00 C ATOM 356 O GLY A 28 -14.063 28.145 -10.982 1.00 0.00 O ATOM 0 H GLY A 28 -16.853 26.609 -11.341 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.520 26.983 -8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.525 25.541 -9.734 1.00 0.00 H new ATOM 360 N GLU A 29 -13.144 26.210 -10.286 1.00 0.00 N ATOM 361 CA GLU A 29 -11.829 26.510 -10.848 1.00 0.00 C ATOM 362 C GLU A 29 -11.551 25.627 -12.049 1.00 0.00 C ATOM 363 O GLU A 29 -10.410 25.488 -12.486 1.00 0.00 O ATOM 364 CB GLU A 29 -10.712 26.314 -9.806 1.00 0.00 C ATOM 365 CG GLU A 29 -11.038 26.798 -8.407 1.00 0.00 C ATOM 366 CD GLU A 29 -11.798 25.768 -7.605 1.00 0.00 C ATOM 367 OE1 GLU A 29 -13.036 25.869 -7.514 1.00 0.00 O ATOM 368 OE2 GLU A 29 -11.161 24.838 -7.073 1.00 0.00 O ATOM 0 H GLU A 29 -13.204 25.309 -9.811 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.839 27.556 -11.156 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.465 25.253 -9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.819 26.833 -10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.113 27.049 -7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.627 27.713 -8.470 1.00 0.00 H new ATOM 375 N GLY A 30 -12.597 25.056 -12.591 1.00 0.00 N ATOM 376 CA GLY A 30 -12.446 24.155 -13.718 1.00 0.00 C ATOM 377 C GLY A 30 -12.353 24.889 -15.037 1.00 0.00 C ATOM 378 O GLY A 30 -12.052 24.293 -16.074 1.00 0.00 O ATOM 0 H GLY A 30 -13.558 25.194 -12.277 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.550 23.550 -13.578 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.292 23.469 -13.747 1.00 0.00 H new ATOM 382 N CYS A 31 -12.605 26.182 -15.005 1.00 0.00 N ATOM 383 CA CYS A 31 -12.570 26.987 -16.207 1.00 0.00 C ATOM 384 C CYS A 31 -11.217 27.641 -16.397 1.00 0.00 C ATOM 385 O CYS A 31 -10.783 27.855 -17.532 1.00 0.00 O ATOM 386 CB CYS A 31 -13.638 28.073 -16.142 1.00 0.00 C ATOM 387 SG CYS A 31 -13.405 29.258 -14.787 1.00 0.00 S ATOM 0 H CYS A 31 -12.837 26.698 -14.156 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.760 26.324 -17.051 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.648 28.615 -17.087 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -14.615 27.602 -16.035 1.00 0.00 H new ATOM 392 N THR A 32 -10.539 27.941 -15.275 1.00 0.00 N ATOM 393 CA THR A 32 -9.285 28.696 -15.288 1.00 0.00 C ATOM 394 C THR A 32 -9.449 29.961 -16.132 1.00 0.00 C ATOM 395 O THR A 32 -8.566 30.346 -16.900 1.00 0.00 O ATOM 396 CB THR A 32 -8.063 27.845 -15.764 1.00 0.00 C ATOM 397 OG1 THR A 32 -8.312 27.238 -17.043 1.00 0.00 O ATOM 398 CG2 THR A 32 -7.751 26.761 -14.749 1.00 0.00 C ATOM 0 H THR A 32 -10.847 27.667 -14.342 1.00 0.00 H new ATOM 0 HA THR A 32 -9.064 28.979 -14.259 1.00 0.00 H new ATOM 0 HB THR A 32 -7.211 28.518 -15.859 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.038 27.715 -17.496 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.898 26.176 -15.092 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.514 27.219 -13.789 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.617 26.109 -14.636 1.00 0.00 H new ATOM 406 N CYS A 33 -10.613 30.595 -15.961 1.00 0.00 N ATOM 407 CA CYS A 33 -10.999 31.786 -16.697 1.00 0.00 C ATOM 408 C CYS A 33 -9.996 32.921 -16.479 1.00 0.00 C ATOM 409 O CYS A 33 -9.255 32.934 -15.494 1.00 0.00 O ATOM 410 CB CYS A 33 -12.399 32.222 -16.244 1.00 0.00 C ATOM 411 SG CYS A 33 -13.503 32.732 -17.577 1.00 0.00 S ATOM 0 H CYS A 33 -11.320 30.284 -15.295 1.00 0.00 H new ATOM 0 HA CYS A 33 -11.009 31.554 -17.762 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.863 31.398 -15.703 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.297 33.048 -15.540 1.00 0.00 H new ATOM 416 N ALA A 34 -9.988 33.872 -17.386 1.00 0.00 N ATOM 417 CA ALA A 34 -9.070 34.993 -17.311 1.00 0.00 C ATOM 418 C ALA A 34 -9.795 36.250 -16.851 1.00 0.00 C ATOM 419 O ALA A 34 -9.259 37.358 -16.933 1.00 0.00 O ATOM 420 CB ALA A 34 -8.416 35.220 -18.664 1.00 0.00 C ATOM 0 H ALA A 34 -10.612 33.893 -18.192 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.295 34.762 -16.580 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.728 36.063 -18.599 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.866 34.325 -18.957 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.183 35.434 -19.408 1.00 0.00 H new ATOM 426 N ALA A 35 -11.008 36.070 -16.355 1.00 0.00 N ATOM 427 CA ALA A 35 -11.818 37.186 -15.905 1.00 0.00 C ATOM 428 C ALA A 35 -12.201 37.028 -14.444 1.00 0.00 C ATOM 429 O ALA A 35 -11.790 37.818 -13.601 1.00 0.00 O ATOM 430 CB ALA A 35 -13.060 37.327 -16.773 1.00 0.00 C ATOM 0 H ALA A 35 -11.453 35.158 -16.254 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.224 38.095 -16.000 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.656 38.169 -16.421 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.763 37.500 -17.808 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.652 36.413 -16.713 1.00 0.00 H new ATOM 436 N CYS A 36 -12.980 35.998 -14.139 1.00 0.00 N ATOM 437 CA CYS A 36 -13.412 35.769 -12.771 1.00 0.00 C ATOM 438 C CYS A 36 -12.335 35.043 -11.963 1.00 0.00 C ATOM 439 O CYS A 36 -12.268 35.169 -10.740 1.00 0.00 O ATOM 440 CB CYS A 36 -14.719 34.986 -12.750 1.00 0.00 C ATOM 441 SG CYS A 36 -14.686 33.451 -13.693 1.00 0.00 S ATOM 0 H CYS A 36 -13.322 35.315 -14.815 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.580 36.740 -12.304 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -14.974 34.757 -11.715 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -15.514 35.621 -13.141 1.00 0.00 H new ATOM 446 N LYS A 37 -11.479 34.297 -12.652 1.00 0.00 N ATOM 447 CA LYS A 37 -10.415 33.550 -11.992 1.00 0.00 C ATOM 448 C LYS A 37 -9.120 34.356 -11.948 1.00 0.00 C ATOM 449 O LYS A 37 -8.088 33.915 -12.446 1.00 0.00 O ATOM 450 CB LYS A 37 -10.160 32.210 -12.697 1.00 0.00 C ATOM 451 CG LYS A 37 -11.319 31.224 -12.665 1.00 0.00 C ATOM 452 CD LYS A 37 -11.626 30.752 -11.253 1.00 0.00 C ATOM 453 CE LYS A 37 -12.867 31.422 -10.704 1.00 0.00 C ATOM 454 NZ LYS A 37 -14.070 31.085 -11.503 1.00 0.00 N ATOM 0 H LYS A 37 -11.501 34.193 -13.666 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.744 33.356 -10.971 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.904 32.409 -13.737 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.291 31.738 -12.239 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.206 31.693 -13.091 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.081 30.364 -13.291 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.763 29.671 -11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.777 30.967 -10.603 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.019 31.115 -9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.725 32.503 -10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.924 31.373 -10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.034 31.586 -12.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.098 30.059 -11.673 1.00 0.00 H new ATOM 468 N THR A 38 -9.166 35.521 -11.345 1.00 0.00 N ATOM 469 CA THR A 38 -7.988 36.360 -11.256 1.00 0.00 C ATOM 470 C THR A 38 -7.730 36.781 -9.805 1.00 0.00 C ATOM 471 O THR A 38 -8.632 36.720 -8.961 1.00 0.00 O ATOM 472 CB THR A 38 -8.112 37.615 -12.166 1.00 0.00 C ATOM 473 OG1 THR A 38 -6.853 38.297 -12.243 1.00 0.00 O ATOM 474 CG2 THR A 38 -9.176 38.571 -11.638 1.00 0.00 C ATOM 0 H THR A 38 -10.002 35.911 -10.909 1.00 0.00 H new ATOM 0 HA THR A 38 -7.140 35.772 -11.607 1.00 0.00 H new ATOM 0 HB THR A 38 -8.407 37.280 -13.161 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.942 39.084 -12.820 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.242 39.440 -12.293 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.140 38.063 -11.611 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.908 38.894 -10.632 1.00 0.00 H new ATOM 482 N CYS A 39 -6.503 37.186 -9.522 1.00 0.00 N ATOM 483 CA CYS A 39 -6.127 37.625 -8.192 1.00 0.00 C ATOM 484 C CYS A 39 -6.279 39.130 -8.086 1.00 0.00 C ATOM 485 O CYS A 39 -5.932 39.862 -9.015 1.00 0.00 O ATOM 486 CB CYS A 39 -4.685 37.216 -7.877 1.00 0.00 C ATOM 487 SG CYS A 39 -4.099 37.742 -6.248 1.00 0.00 S ATOM 0 H CYS A 39 -5.745 37.219 -10.204 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.785 37.147 -7.466 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.604 36.131 -7.946 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.027 37.634 -8.639 1.00 0.00 H new ATOM 492 N ASN A 40 -6.781 39.592 -6.961 1.00 0.00 N ATOM 493 CA ASN A 40 -7.019 41.013 -6.771 1.00 0.00 C ATOM 494 C ASN A 40 -5.851 41.681 -6.061 1.00 0.00 C ATOM 495 O ASN A 40 -5.866 42.886 -5.819 1.00 0.00 O ATOM 496 CB ASN A 40 -8.329 41.239 -6.014 1.00 0.00 C ATOM 497 CG ASN A 40 -9.555 40.961 -6.877 1.00 0.00 C ATOM 498 OD1 ASN A 40 -10.107 41.865 -7.500 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.977 39.711 -6.933 1.00 0.00 N ATOM 0 H ASN A 40 -7.033 39.008 -6.163 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.108 41.476 -7.754 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.353 40.595 -5.135 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.366 42.268 -5.656 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.785 39.471 -7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.495 38.986 -6.403 1.00 0.00 H new ATOM 506 N CYS A 41 -4.841 40.897 -5.736 1.00 0.00 N ATOM 507 CA CYS A 41 -3.652 41.416 -5.098 1.00 0.00 C ATOM 508 C CYS A 41 -2.730 42.024 -6.138 1.00 0.00 C ATOM 509 O CYS A 41 -2.508 41.439 -7.200 1.00 0.00 O ATOM 510 CB CYS A 41 -2.933 40.309 -4.345 1.00 0.00 C ATOM 511 SG CYS A 41 -3.957 39.484 -3.112 1.00 0.00 S ATOM 0 H CYS A 41 -4.823 39.891 -5.906 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.943 42.189 -4.387 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.575 39.569 -5.061 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.055 40.728 -3.853 1.00 0.00 H new ATOM 516 N THR A 42 -2.200 43.186 -5.843 1.00 0.00 N ATOM 517 CA THR A 42 -1.333 43.868 -6.771 1.00 0.00 C ATOM 518 C THR A 42 0.125 43.687 -6.379 1.00 0.00 C ATOM 519 O THR A 42 0.428 43.251 -5.266 1.00 0.00 O ATOM 520 CB THR A 42 -1.670 45.371 -6.840 1.00 0.00 C ATOM 521 OG1 THR A 42 -1.564 45.956 -5.533 1.00 0.00 O ATOM 522 CG2 THR A 42 -3.080 45.574 -7.368 1.00 0.00 C ATOM 0 H THR A 42 -2.355 43.680 -4.964 1.00 0.00 H new ATOM 0 HA THR A 42 -1.493 43.428 -7.756 1.00 0.00 H new ATOM 0 HB THR A 42 -0.963 45.853 -7.515 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.778 46.911 -5.584 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.303 46.640 -7.411 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.159 45.146 -8.368 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.791 45.081 -6.705 1.00 0.00 H new ATOM 530 N SER A 43 1.020 44.023 -7.289 1.00 0.00 N ATOM 531 CA SER A 43 2.447 43.915 -7.048 1.00 0.00 C ATOM 532 C SER A 43 2.907 44.989 -6.063 1.00 0.00 C ATOM 533 O SER A 43 4.000 44.910 -5.505 1.00 0.00 O ATOM 534 CB SER A 43 3.207 44.041 -8.366 1.00 0.00 C ATOM 535 OG SER A 43 2.763 43.064 -9.299 1.00 0.00 O ATOM 0 H SER A 43 0.779 44.378 -8.214 1.00 0.00 H new ATOM 0 HA SER A 43 2.656 42.939 -6.611 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.063 45.039 -8.781 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.276 43.921 -8.188 1.00 0.00 H new ATOM 0 HG SER A 43 3.261 43.162 -10.137 1.00 0.00 H new ATOM 541 N ASP A 44 2.056 45.984 -5.856 1.00 0.00 N ATOM 542 CA ASP A 44 2.351 47.066 -4.931 1.00 0.00 C ATOM 543 C ASP A 44 2.065 46.637 -3.501 1.00 0.00 C ATOM 544 O ASP A 44 2.774 47.024 -2.568 1.00 0.00 O ATOM 545 CB ASP A 44 1.527 48.310 -5.281 1.00 0.00 C ATOM 546 CG ASP A 44 1.740 49.446 -4.301 1.00 0.00 C ATOM 547 OD1 ASP A 44 2.745 50.170 -4.436 1.00 0.00 O ATOM 548 OD2 ASP A 44 0.904 49.619 -3.391 1.00 0.00 O ATOM 0 H ASP A 44 1.151 46.063 -6.320 1.00 0.00 H new ATOM 0 HA ASP A 44 3.410 47.311 -5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.791 48.646 -6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.470 48.047 -5.302 1.00 0.00 H new ATOM 553 N GLY A 45 1.030 45.827 -3.336 1.00 0.00 N ATOM 554 CA GLY A 45 0.659 45.362 -2.026 1.00 0.00 C ATOM 555 C GLY A 45 -0.321 44.216 -2.087 1.00 0.00 C ATOM 556 O GLY A 45 -1.331 44.290 -2.796 1.00 0.00 O ATOM 0 H GLY A 45 0.440 45.484 -4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.552 45.046 -1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.220 46.184 -1.461 1.00 0.00 H new ATOM 560 N CYS A 46 -0.021 43.154 -1.363 1.00 0.00 N ATOM 561 CA CYS A 46 -0.886 41.991 -1.314 1.00 0.00 C ATOM 562 C CYS A 46 -2.191 42.343 -0.595 1.00 0.00 C ATOM 563 O CYS A 46 -2.171 42.974 0.470 1.00 0.00 O ATOM 564 CB CYS A 46 -0.174 40.841 -0.604 1.00 0.00 C ATOM 565 SG CYS A 46 -0.988 39.242 -0.768 1.00 0.00 S ATOM 0 H CYS A 46 0.823 43.073 -0.796 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.123 41.676 -2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.840 40.760 -0.997 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.087 41.083 0.455 1.00 0.00 H new ATOM 570 N LYS A 47 -3.314 41.939 -1.172 1.00 0.00 N ATOM 571 CA LYS A 47 -4.621 42.273 -0.616 1.00 0.00 C ATOM 572 C LYS A 47 -5.140 41.198 0.333 1.00 0.00 C ATOM 573 O LYS A 47 -5.875 41.501 1.274 1.00 0.00 O ATOM 574 CB LYS A 47 -5.638 42.524 -1.737 1.00 0.00 C ATOM 575 CG LYS A 47 -5.324 43.741 -2.604 1.00 0.00 C ATOM 576 CD LYS A 47 -5.414 45.047 -1.816 1.00 0.00 C ATOM 577 CE LYS A 47 -6.835 45.326 -1.340 1.00 0.00 C ATOM 578 NZ LYS A 47 -6.926 46.595 -0.576 1.00 0.00 N ATOM 0 H LYS A 47 -3.348 41.380 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.494 43.187 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.686 41.641 -2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.626 42.652 -1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.323 43.639 -3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.018 43.776 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.746 44.999 -0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.072 45.872 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.503 45.372 -2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.177 44.501 -0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.909 46.747 -0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.308 46.542 0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.625 47.386 -1.180 1.00 0.00 H new ATOM 592 N CYS A 48 -4.779 39.953 0.091 1.00 0.00 N ATOM 593 CA CYS A 48 -5.241 38.878 0.953 1.00 0.00 C ATOM 594 C CYS A 48 -4.240 38.625 2.082 1.00 0.00 C ATOM 595 O CYS A 48 -4.628 38.385 3.229 1.00 0.00 O ATOM 596 CB CYS A 48 -5.466 37.600 0.151 1.00 0.00 C ATOM 597 SG CYS A 48 -3.950 36.776 -0.337 1.00 0.00 S ATOM 0 H CYS A 48 -4.178 39.662 -0.680 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.191 39.182 1.392 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.068 36.911 0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.042 37.840 -0.743 1.00 0.00 H new ATOM 602 N GLY A 49 -2.956 38.691 1.752 1.00 0.00 N ATOM 603 CA GLY A 49 -1.925 38.476 2.742 1.00 0.00 C ATOM 604 C GLY A 49 -1.101 37.228 2.480 1.00 0.00 C ATOM 605 O GLY A 49 -0.243 36.867 3.284 1.00 0.00 O ATOM 0 H GLY A 49 -2.612 38.890 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.264 39.343 2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.385 38.400 3.727 1.00 0.00 H new ATOM 609 N LYS A 50 -1.353 36.565 1.360 1.00 0.00 N ATOM 610 CA LYS A 50 -0.611 35.356 1.010 1.00 0.00 C ATOM 611 C LYS A 50 0.680 35.687 0.272 1.00 0.00 C ATOM 612 O LYS A 50 1.455 34.795 -0.064 1.00 0.00 O ATOM 613 CB LYS A 50 -1.470 34.410 0.175 1.00 0.00 C ATOM 614 CG LYS A 50 -2.691 33.879 0.909 1.00 0.00 C ATOM 615 CD LYS A 50 -2.299 33.071 2.130 1.00 0.00 C ATOM 616 CE LYS A 50 -3.519 32.485 2.815 1.00 0.00 C ATOM 617 NZ LYS A 50 -3.146 31.603 3.944 1.00 0.00 N ATOM 0 H LYS A 50 -2.061 36.840 0.679 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.348 34.856 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.797 34.930 -0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.858 33.568 -0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.326 34.712 1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.280 33.258 0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.623 32.268 1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.755 33.705 2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.154 33.293 3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.106 31.920 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.007 31.222 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.561 30.818 3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.608 32.148 4.647 1.00 0.00 H new ATOM 631 N GLU A 51 0.890 36.976 0.015 1.00 0.00 N ATOM 632 CA GLU A 51 2.102 37.475 -0.646 1.00 0.00 C ATOM 633 C GLU A 51 2.164 37.022 -2.113 1.00 0.00 C ATOM 634 O GLU A 51 3.219 37.056 -2.750 1.00 0.00 O ATOM 635 CB GLU A 51 3.356 37.032 0.121 1.00 0.00 C ATOM 636 CG GLU A 51 4.611 37.802 -0.242 1.00 0.00 C ATOM 637 CD GLU A 51 5.814 37.331 0.529 1.00 0.00 C ATOM 638 OE1 GLU A 51 6.059 37.855 1.639 1.00 0.00 O ATOM 639 OE2 GLU A 51 6.522 36.431 0.037 1.00 0.00 O ATOM 0 H GLU A 51 0.224 37.709 0.259 1.00 0.00 H new ATOM 0 HA GLU A 51 2.065 38.564 -0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.172 37.142 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.527 35.972 -0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.803 37.697 -1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.452 38.863 -0.050 1.00 0.00 H new ATOM 646 N CYS A 52 1.024 36.621 -2.637 1.00 0.00 N ATOM 647 CA CYS A 52 0.907 36.201 -4.020 1.00 0.00 C ATOM 648 C CYS A 52 1.165 37.382 -4.947 1.00 0.00 C ATOM 649 O CYS A 52 1.966 37.299 -5.881 1.00 0.00 O ATOM 650 CB CYS A 52 -0.484 35.648 -4.243 1.00 0.00 C ATOM 651 SG CYS A 52 -1.742 36.493 -3.270 1.00 0.00 S ATOM 0 H CYS A 52 0.149 36.577 -2.115 1.00 0.00 H new ATOM 0 HA CYS A 52 1.645 35.429 -4.238 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.736 35.728 -5.300 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.491 34.587 -3.993 1.00 0.00 H new ATOM 656 N THR A 53 0.482 38.486 -4.656 1.00 0.00 N ATOM 657 CA THR A 53 0.625 39.751 -5.380 1.00 0.00 C ATOM 658 C THR A 53 0.450 39.600 -6.896 1.00 0.00 C ATOM 659 O THR A 53 1.243 40.131 -7.683 1.00 0.00 O ATOM 660 CB THR A 53 1.973 40.461 -5.053 1.00 0.00 C ATOM 661 OG1 THR A 53 3.093 39.594 -5.308 1.00 0.00 O ATOM 662 CG2 THR A 53 2.002 40.896 -3.600 1.00 0.00 C ATOM 0 H THR A 53 -0.199 38.530 -3.898 1.00 0.00 H new ATOM 0 HA THR A 53 -0.190 40.383 -5.025 1.00 0.00 H new ATOM 0 HB THR A 53 2.050 41.335 -5.700 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.809 38.853 -5.882 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.950 41.390 -3.387 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.181 41.588 -3.411 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.896 40.023 -2.957 1.00 0.00 H new ATOM 670 N GLY A 54 -0.587 38.884 -7.297 1.00 0.00 N ATOM 671 CA GLY A 54 -0.859 38.726 -8.704 1.00 0.00 C ATOM 672 C GLY A 54 -1.193 37.302 -9.076 1.00 0.00 C ATOM 673 O GLY A 54 -0.750 36.368 -8.414 1.00 0.00 O ATOM 0 H GLY A 54 -1.242 38.412 -6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.689 39.375 -8.985 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.009 39.053 -9.277 1.00 0.00 H new ATOM 677 N PRO A 55 -1.973 37.100 -10.155 1.00 0.00 N ATOM 678 CA PRO A 55 -2.392 35.763 -10.593 1.00 0.00 C ATOM 679 C PRO A 55 -1.245 34.953 -11.189 1.00 0.00 C ATOM 680 O PRO A 55 -1.317 33.731 -11.271 1.00 0.00 O ATOM 681 CB PRO A 55 -3.450 36.055 -11.660 1.00 0.00 C ATOM 682 CG PRO A 55 -3.094 37.403 -12.188 1.00 0.00 C ATOM 683 CD PRO A 55 -2.506 38.164 -11.032 1.00 0.00 C ATOM 0 HA PRO A 55 -2.757 35.161 -9.761 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.434 35.304 -12.450 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.454 36.049 -11.235 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.378 37.324 -13.006 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.974 37.912 -12.582 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.721 38.846 -11.358 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.259 38.765 -10.522 1.00 0.00 H new ATOM 691 N ASP A 56 -0.180 35.639 -11.577 1.00 0.00 N ATOM 692 CA ASP A 56 0.976 34.986 -12.186 1.00 0.00 C ATOM 693 C ASP A 56 1.890 34.401 -11.117 1.00 0.00 C ATOM 694 O ASP A 56 2.887 33.749 -11.420 1.00 0.00 O ATOM 695 CB ASP A 56 1.764 35.978 -13.057 1.00 0.00 C ATOM 696 CG ASP A 56 0.914 36.630 -14.129 1.00 0.00 C ATOM 697 OD1 ASP A 56 0.319 37.693 -13.855 1.00 0.00 O ATOM 698 OD2 ASP A 56 0.842 36.087 -15.256 1.00 0.00 O ATOM 0 H ASP A 56 -0.090 36.651 -11.482 1.00 0.00 H new ATOM 0 HA ASP A 56 0.609 34.177 -12.817 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.192 36.752 -12.420 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.597 35.457 -13.529 1.00 0.00 H new ATOM 703 N SER A 57 1.559 34.656 -9.864 1.00 0.00 N ATOM 704 CA SER A 57 2.329 34.145 -8.743 1.00 0.00 C ATOM 705 C SER A 57 1.416 33.883 -7.554 1.00 0.00 C ATOM 706 O SER A 57 1.848 33.891 -6.402 1.00 0.00 O ATOM 707 CB SER A 57 3.421 35.147 -8.365 1.00 0.00 C ATOM 708 OG SER A 57 4.289 35.376 -9.471 1.00 0.00 O ATOM 0 H SER A 57 0.753 35.220 -9.595 1.00 0.00 H new ATOM 0 HA SER A 57 2.798 33.204 -9.032 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.968 36.087 -8.050 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.993 34.769 -7.518 1.00 0.00 H new ATOM 0 HG SER A 57 4.982 36.020 -9.215 1.00 0.00 H new ATOM 714 N CYS A 58 0.155 33.621 -7.846 1.00 0.00 N ATOM 715 CA CYS A 58 -0.827 33.409 -6.812 1.00 0.00 C ATOM 716 C CYS A 58 -0.808 31.966 -6.330 1.00 0.00 C ATOM 717 O CYS A 58 -0.683 31.031 -7.124 1.00 0.00 O ATOM 718 CB CYS A 58 -2.220 33.793 -7.317 1.00 0.00 C ATOM 719 SG CYS A 58 -3.465 33.972 -6.020 1.00 0.00 S ATOM 0 H CYS A 58 -0.209 33.551 -8.796 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.576 34.047 -5.965 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.148 34.732 -7.865 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.557 33.036 -8.025 1.00 0.00 H new ATOM 724 N LYS A 59 -0.914 31.794 -5.022 1.00 0.00 N ATOM 725 CA LYS A 59 -0.926 30.472 -4.411 1.00 0.00 C ATOM 726 C LYS A 59 -2.308 30.187 -3.853 1.00 0.00 C ATOM 727 O LYS A 59 -2.512 29.236 -3.092 1.00 0.00 O ATOM 728 CB LYS A 59 0.117 30.395 -3.286 1.00 0.00 C ATOM 729 CG LYS A 59 1.535 30.732 -3.726 1.00 0.00 C ATOM 730 CD LYS A 59 2.034 29.771 -4.793 1.00 0.00 C ATOM 731 CE LYS A 59 3.440 30.128 -5.244 1.00 0.00 C ATOM 732 NZ LYS A 59 3.937 29.206 -6.292 1.00 0.00 N ATOM 0 H LYS A 59 -0.994 32.562 -4.356 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.678 29.728 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.175 31.077 -2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.108 29.389 -2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.564 31.751 -4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.202 30.698 -2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.022 28.753 -4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.359 29.792 -5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.450 31.149 -5.625 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.114 30.100 -4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.899 29.485 -6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.952 28.235 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.309 29.251 -7.120 1.00 0.00 H new ATOM 746 N CYS A 60 -3.248 31.015 -4.234 1.00 0.00 N ATOM 747 CA CYS A 60 -4.602 30.897 -3.766 1.00 0.00 C ATOM 748 C CYS A 60 -5.511 30.408 -4.885 1.00 0.00 C ATOM 749 O CYS A 60 -5.250 30.664 -6.066 1.00 0.00 O ATOM 750 CB CYS A 60 -5.063 32.246 -3.250 1.00 0.00 C ATOM 751 SG CYS A 60 -3.865 33.024 -2.142 1.00 0.00 S ATOM 0 H CYS A 60 -3.094 31.790 -4.878 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.648 30.167 -2.958 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.251 32.908 -4.096 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.010 32.124 -2.724 1.00 0.00 H new ATOM 756 N GLY A 61 -6.572 29.715 -4.517 1.00 0.00 N ATOM 757 CA GLY A 61 -7.483 29.165 -5.498 1.00 0.00 C ATOM 758 C GLY A 61 -8.590 30.127 -5.865 1.00 0.00 C ATOM 759 O GLY A 61 -8.359 31.113 -6.559 1.00 0.00 O ATOM 0 H GLY A 61 -6.822 29.521 -3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.926 28.897 -6.396 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.920 28.246 -5.108 1.00 0.00 H new ATOM 763 N SER A 62 -9.785 29.852 -5.393 1.00 0.00 N ATOM 764 CA SER A 62 -10.937 30.685 -5.693 1.00 0.00 C ATOM 765 C SER A 62 -11.684 31.070 -4.420 1.00 0.00 C ATOM 766 O SER A 62 -12.573 31.918 -4.442 1.00 0.00 O ATOM 767 CB SER A 62 -11.879 29.936 -6.636 1.00 0.00 C ATOM 768 OG SER A 62 -12.264 28.688 -6.072 1.00 0.00 O ATOM 0 H SER A 62 -9.989 29.052 -4.794 1.00 0.00 H new ATOM 0 HA SER A 62 -10.584 31.599 -6.171 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.764 30.542 -6.831 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.387 29.772 -7.595 1.00 0.00 H new ATOM 0 HG SER A 62 -12.868 28.223 -6.688 1.00 0.00 H new ATOM 774 N SER A 63 -11.304 30.462 -3.311 1.00 0.00 N ATOM 775 CA SER A 63 -11.996 30.676 -2.051 1.00 0.00 C ATOM 776 C SER A 63 -11.202 31.585 -1.112 1.00 0.00 C ATOM 777 O SER A 63 -11.423 31.584 0.100 1.00 0.00 O ATOM 778 CB SER A 63 -12.257 29.328 -1.387 1.00 0.00 C ATOM 779 OG SER A 63 -12.853 28.423 -2.311 1.00 0.00 O ATOM 0 H SER A 63 -10.518 29.814 -3.256 1.00 0.00 H new ATOM 0 HA SER A 63 -12.941 31.177 -2.260 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.321 28.912 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.912 29.461 -0.526 1.00 0.00 H new ATOM 0 HG SER A 63 -13.012 27.563 -1.870 1.00 0.00 H new ATOM 785 N CYS A 64 -10.287 32.359 -1.665 1.00 0.00 N ATOM 786 CA CYS A 64 -9.499 33.261 -0.854 1.00 0.00 C ATOM 787 C CYS A 64 -10.016 34.688 -0.980 1.00 0.00 C ATOM 788 O CYS A 64 -10.848 34.984 -1.840 1.00 0.00 O ATOM 789 CB CYS A 64 -8.021 33.197 -1.237 1.00 0.00 C ATOM 790 SG CYS A 64 -6.931 34.103 -0.108 1.00 0.00 S ATOM 0 H CYS A 64 -10.074 32.380 -2.662 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.595 32.946 0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.709 32.153 -1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.899 33.597 -2.244 1.00 0.00 H new ATOM 795 N SER A 65 -9.501 35.567 -0.137 1.00 0.00 N ATOM 796 CA SER A 65 -9.914 36.953 -0.114 1.00 0.00 C ATOM 797 C SER A 65 -9.519 37.670 -1.409 1.00 0.00 C ATOM 798 O SER A 65 -10.205 38.597 -1.848 1.00 0.00 O ATOM 799 CB SER A 65 -9.304 37.662 1.105 1.00 0.00 C ATOM 800 OG SER A 65 -9.804 38.984 1.248 1.00 0.00 O ATOM 0 H SER A 65 -8.784 35.336 0.550 1.00 0.00 H new ATOM 0 HA SER A 65 -11.001 36.986 -0.036 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.524 37.090 2.006 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.219 37.692 1.003 1.00 0.00 H new ATOM 0 HG SER A 65 -9.396 39.405 2.034 1.00 0.00 H new ATOM 806 N CYS A 66 -8.436 37.218 -2.043 1.00 0.00 N ATOM 807 CA CYS A 66 -7.969 37.848 -3.269 1.00 0.00 C ATOM 808 C CYS A 66 -8.767 37.376 -4.478 1.00 0.00 C ATOM 809 O CYS A 66 -8.508 37.792 -5.606 1.00 0.00 O ATOM 810 CB CYS A 66 -6.467 37.598 -3.486 1.00 0.00 C ATOM 811 SG CYS A 66 -5.956 35.860 -3.455 1.00 0.00 S ATOM 0 H CYS A 66 -7.874 36.427 -1.729 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.125 38.921 -3.160 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.180 38.026 -4.446 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.912 38.136 -2.718 1.00 0.00 H new ATOM 816 N LYS A 67 -9.754 36.525 -4.240 1.00 0.00 N ATOM 817 CA LYS A 67 -10.573 35.990 -5.317 1.00 0.00 C ATOM 818 C LYS A 67 -12.030 36.388 -5.128 1.00 0.00 C ATOM 819 O LYS A 67 -12.604 36.011 -4.074 1.00 0.00 O ATOM 820 CB LYS A 67 -10.439 34.464 -5.381 1.00 0.00 C ATOM 821 CG LYS A 67 -8.997 33.976 -5.382 1.00 0.00 C ATOM 822 CD LYS A 67 -8.194 34.609 -6.509 1.00 0.00 C ATOM 823 CE LYS A 67 -6.734 34.209 -6.439 1.00 0.00 C ATOM 824 NZ LYS A 67 -6.470 32.919 -7.114 1.00 0.00 N ATOM 0 H LYS A 67 -10.007 36.190 -3.310 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.221 36.410 -6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.961 34.026 -4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.937 34.102 -6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.531 34.212 -4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.979 32.891 -5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.610 34.306 -7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.279 35.694 -6.453 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.124 34.987 -6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.429 34.139 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.830 32.345 -6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.366 32.409 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.028 33.095 -8.039 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 ZN ZN A 101 -15.796 29.409 -14.708 1.00 0.00 ZN HETATM 840 ZN ZN A 102 -15.404 33.056 -16.024 1.00 0.00 ZN HETATM 841 ZN ZN A 103 -16.414 32.378 -12.221 1.00 0.00 ZN HETATM 842 ZN ZN A 104 -3.801 36.030 -4.730 1.00 0.00 ZN HETATM 843 ZN ZN A 105 -5.172 34.965 -1.515 1.00 0.00 ZN HETATM 844 ZN ZN A 106 -2.679 38.007 -1.835 1.00 0.00 ZN