USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 602 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 45 THR OG1 : rot -140:sc= -0.162 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 174:sc= -0.133 (180deg=-0.134) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 23:sc= 0.0777 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -178:sc= -0.698 USER MOD Single : A 16 LYS NZ :NH3+ 141:sc= 0.166 (180deg=-0.152) USER MOD Single : A 17 GLN : amide:sc= -3.93! K(o=-3.9!,f=-3.1) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0869 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.906 K(o=-0.91,f=-0.16) USER MOD Single : A 30 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 34 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00719) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 93:sc= 0.881 USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= 1.31 (180deg=1.17) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.0975 X(o=0.098,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -3.63! C(o=-3.6!,f=-2.3!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 103:sc= 1.26 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -32:sc= 0.825 USER MOD Single : A 82 LYS NZ :NH3+ -120:sc= 1.24 (180deg=0.325) USER MOD Single : A 85 LYS NZ :NH3+ 153:sc= -0.114 (180deg=-0.541) USER MOD Single : A 88 THR OG1 : rot 6:sc= 1.04 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0174) USER MOD Single : A 98 SER OG : rot -40:sc= 0.572 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 175:sc= -0.879 (180deg=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.333 11.141 3.144 1.00 0.00 N ATOM 2 CA GLY A 1 20.766 11.233 3.550 1.00 0.00 C ATOM 3 C GLY A 1 21.129 12.612 4.072 1.00 0.00 C ATOM 4 O GLY A 1 22.272 12.859 4.474 1.00 0.00 O ATOM 0 H1 GLY A 1 19.156 10.217 2.701 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.727 11.244 3.983 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.115 11.898 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.972 10.490 4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.400 10.992 2.697 1.00 0.00 H new ATOM 7 N SER A 2 20.155 13.510 4.067 1.00 0.00 N ATOM 8 CA SER A 2 20.360 14.873 4.520 1.00 0.00 C ATOM 9 C SER A 2 20.495 14.929 6.044 1.00 0.00 C ATOM 10 O SER A 2 19.751 14.267 6.762 1.00 0.00 O ATOM 11 CB SER A 2 19.195 15.748 4.063 1.00 0.00 C ATOM 12 OG SER A 2 18.987 15.624 2.661 1.00 0.00 O ATOM 0 H SER A 2 19.206 13.313 3.750 1.00 0.00 H new ATOM 0 HA SER A 2 21.286 15.247 4.084 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.289 15.461 4.596 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.397 16.789 4.314 1.00 0.00 H new ATOM 0 HG SER A 2 18.235 16.191 2.390 1.00 0.00 H new ATOM 18 N MET A 3 21.450 15.712 6.528 1.00 0.00 N ATOM 19 CA MET A 3 21.658 15.861 7.966 1.00 0.00 C ATOM 20 C MET A 3 20.666 16.851 8.552 1.00 0.00 C ATOM 21 O MET A 3 20.421 16.867 9.765 1.00 0.00 O ATOM 22 CB MET A 3 23.092 16.296 8.272 1.00 0.00 C ATOM 23 CG MET A 3 24.117 15.193 8.077 1.00 0.00 C ATOM 24 SD MET A 3 25.801 15.735 8.405 1.00 0.00 S ATOM 25 CE MET A 3 26.688 14.195 8.176 1.00 0.00 C ATOM 0 H MET A 3 22.092 16.253 5.949 1.00 0.00 H new ATOM 0 HA MET A 3 21.492 14.889 8.431 1.00 0.00 H new ATOM 0 HB2 MET A 3 23.352 17.139 7.631 1.00 0.00 H new ATOM 0 HB3 MET A 3 23.143 16.650 9.302 1.00 0.00 H new ATOM 0 HG2 MET A 3 23.875 14.359 8.735 1.00 0.00 H new ATOM 0 HG3 MET A 3 24.053 14.821 7.054 1.00 0.00 H new ATOM 0 HE1 MET A 3 27.752 14.360 8.344 1.00 0.00 H new ATOM 0 HE2 MET A 3 26.319 13.454 8.885 1.00 0.00 H new ATOM 0 HE3 MET A 3 26.533 13.834 7.159 1.00 0.00 H new ATOM 35 N SER A 4 20.100 17.670 7.695 1.00 0.00 N ATOM 36 CA SER A 4 19.108 18.626 8.105 1.00 0.00 C ATOM 37 C SER A 4 17.773 18.279 7.452 1.00 0.00 C ATOM 38 O SER A 4 17.737 17.581 6.438 1.00 0.00 O ATOM 39 CB SER A 4 19.545 20.043 7.732 1.00 0.00 C ATOM 40 OG SER A 4 18.750 21.011 8.391 1.00 0.00 O ATOM 0 H SER A 4 20.316 17.689 6.698 1.00 0.00 H new ATOM 0 HA SER A 4 18.993 18.587 9.188 1.00 0.00 H new ATOM 0 HB2 SER A 4 20.592 20.186 7.998 1.00 0.00 H new ATOM 0 HB3 SER A 4 19.469 20.178 6.653 1.00 0.00 H new ATOM 0 HG SER A 4 18.350 20.615 9.193 1.00 0.00 H new ATOM 46 N SER A 5 16.690 18.768 8.025 1.00 0.00 N ATOM 47 CA SER A 5 15.354 18.462 7.531 1.00 0.00 C ATOM 48 C SER A 5 14.874 19.504 6.509 1.00 0.00 C ATOM 49 O SER A 5 13.690 19.860 6.481 1.00 0.00 O ATOM 50 CB SER A 5 14.388 18.368 8.711 1.00 0.00 C ATOM 51 OG SER A 5 14.886 17.463 9.688 1.00 0.00 O ATOM 0 H SER A 5 16.706 19.383 8.838 1.00 0.00 H new ATOM 0 HA SER A 5 15.386 17.503 7.013 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.250 19.354 9.156 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.410 18.036 8.363 1.00 0.00 H new ATOM 0 HG SER A 5 14.258 17.414 10.439 1.00 0.00 H new ATOM 57 N VAL A 6 15.822 19.973 5.665 1.00 0.00 N ATOM 58 CA VAL A 6 15.567 20.947 4.576 1.00 0.00 C ATOM 59 C VAL A 6 14.541 22.038 4.974 1.00 0.00 C ATOM 60 O VAL A 6 13.516 22.254 4.326 1.00 0.00 O ATOM 61 CB VAL A 6 15.167 20.229 3.252 1.00 0.00 C ATOM 62 CG1 VAL A 6 13.836 19.524 3.388 1.00 0.00 C ATOM 63 CG2 VAL A 6 15.168 21.193 2.071 1.00 0.00 C ATOM 0 H VAL A 6 16.798 19.682 5.721 1.00 0.00 H new ATOM 0 HA VAL A 6 16.508 21.468 4.398 1.00 0.00 H new ATOM 0 HB VAL A 6 15.922 19.469 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.586 19.033 2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.899 18.778 4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 6 13.062 20.251 3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.885 20.658 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.455 21.996 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.165 21.615 1.946 1.00 0.00 H new ATOM 73 N PHE A 7 14.830 22.696 6.052 1.00 0.00 N ATOM 74 CA PHE A 7 13.979 23.755 6.559 1.00 0.00 C ATOM 75 C PHE A 7 14.695 25.103 6.529 1.00 0.00 C ATOM 76 O PHE A 7 15.900 25.176 6.270 1.00 0.00 O ATOM 77 CB PHE A 7 13.506 23.431 7.987 1.00 0.00 C ATOM 78 CG PHE A 7 14.623 23.209 8.979 1.00 0.00 C ATOM 79 CD1 PHE A 7 15.139 24.263 9.718 1.00 0.00 C ATOM 80 CD2 PHE A 7 15.150 21.945 9.174 1.00 0.00 C ATOM 81 CE1 PHE A 7 16.157 24.057 10.628 1.00 0.00 C ATOM 82 CE2 PHE A 7 16.168 21.733 10.082 1.00 0.00 C ATOM 83 CZ PHE A 7 16.672 22.790 10.810 1.00 0.00 C ATOM 0 H PHE A 7 15.662 22.522 6.615 1.00 0.00 H new ATOM 0 HA PHE A 7 13.107 23.822 5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.878 24.248 8.343 1.00 0.00 H new ATOM 0 HB3 PHE A 7 12.881 22.538 7.956 1.00 0.00 H new ATOM 0 HD1 PHE A 7 14.740 25.257 9.580 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.760 21.112 8.608 1.00 0.00 H new ATOM 0 HE1 PHE A 7 16.550 24.887 11.197 1.00 0.00 H new ATOM 0 HE2 PHE A 7 16.569 20.740 10.222 1.00 0.00 H new ATOM 0 HZ PHE A 7 17.468 22.626 11.521 1.00 0.00 H new ATOM 93 N GLY A 8 13.939 26.159 6.772 1.00 0.00 N ATOM 94 CA GLY A 8 14.499 27.492 6.827 1.00 0.00 C ATOM 95 C GLY A 8 14.776 27.919 8.247 1.00 0.00 C ATOM 96 O GLY A 8 15.719 27.438 8.880 1.00 0.00 O ATOM 0 H GLY A 8 12.933 26.116 6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.423 27.523 6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 8 13.809 28.197 6.362 1.00 0.00 H new ATOM 100 N ALA A 9 13.951 28.814 8.752 1.00 0.00 N ATOM 101 CA ALA A 9 14.084 29.292 10.112 1.00 0.00 C ATOM 102 C ALA A 9 12.853 28.912 10.913 1.00 0.00 C ATOM 103 O ALA A 9 12.927 28.669 12.114 1.00 0.00 O ATOM 104 CB ALA A 9 14.291 30.800 10.128 1.00 0.00 C ATOM 0 H ALA A 9 13.175 29.228 8.235 1.00 0.00 H new ATOM 0 HA ALA A 9 14.957 28.825 10.568 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.389 31.143 11.158 1.00 0.00 H new ATOM 0 HB2 ALA A 9 15.197 31.049 9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.436 31.290 9.663 1.00 0.00 H new ATOM 110 N GLY A 10 11.725 28.860 10.232 1.00 0.00 N ATOM 111 CA GLY A 10 10.488 28.483 10.863 1.00 0.00 C ATOM 112 C GLY A 10 9.524 27.898 9.866 1.00 0.00 C ATOM 113 O GLY A 10 8.604 28.574 9.408 1.00 0.00 O ATOM 0 H GLY A 10 11.646 29.076 9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.686 27.756 11.651 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.039 29.355 11.339 1.00 0.00 H new ATOM 117 N CYS A 11 9.750 26.658 9.492 1.00 0.00 N ATOM 118 CA CYS A 11 8.895 26.000 8.548 1.00 0.00 C ATOM 119 C CYS A 11 7.720 25.353 9.217 1.00 0.00 C ATOM 120 O CYS A 11 7.828 24.797 10.315 1.00 0.00 O ATOM 121 CB CYS A 11 9.666 24.980 7.744 1.00 0.00 C ATOM 122 SG CYS A 11 10.906 25.710 6.679 1.00 0.00 S ATOM 0 H CYS A 11 10.524 26.089 9.833 1.00 0.00 H new ATOM 0 HA CYS A 11 8.514 26.765 7.872 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.149 24.280 8.426 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.968 24.404 7.136 1.00 0.00 H new ATOM 127 N THR A 12 6.605 25.428 8.553 1.00 0.00 N ATOM 128 CA THR A 12 5.398 24.845 9.023 1.00 0.00 C ATOM 129 C THR A 12 5.417 23.347 8.745 1.00 0.00 C ATOM 130 O THR A 12 6.152 22.882 7.865 1.00 0.00 O ATOM 131 CB THR A 12 4.208 25.504 8.318 1.00 0.00 C ATOM 132 OG1 THR A 12 4.541 25.710 6.938 1.00 0.00 O ATOM 133 CG2 THR A 12 3.879 26.843 8.950 1.00 0.00 C ATOM 0 H THR A 12 6.514 25.905 7.656 1.00 0.00 H new ATOM 0 HA THR A 12 5.304 25.002 10.097 1.00 0.00 H new ATOM 0 HB THR A 12 3.340 24.851 8.411 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.797 26.159 6.485 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.031 27.291 8.432 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.627 26.697 10.000 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.742 27.504 8.872 1.00 0.00 H new ATOM 141 N ASP A 13 4.628 22.590 9.483 1.00 0.00 N ATOM 142 CA ASP A 13 4.581 21.142 9.303 1.00 0.00 C ATOM 143 C ASP A 13 4.018 20.786 7.939 1.00 0.00 C ATOM 144 O ASP A 13 4.234 19.685 7.431 1.00 0.00 O ATOM 145 CB ASP A 13 3.770 20.472 10.412 1.00 0.00 C ATOM 146 CG ASP A 13 4.413 20.632 11.771 1.00 0.00 C ATOM 147 OD1 ASP A 13 5.576 20.216 11.935 1.00 0.00 O ATOM 148 OD2 ASP A 13 3.757 21.173 12.689 1.00 0.00 O ATOM 0 H ASP A 13 4.011 22.947 10.212 1.00 0.00 H new ATOM 0 HA ASP A 13 5.603 20.767 9.361 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.767 20.899 10.434 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.659 19.411 10.188 1.00 0.00 H new ATOM 153 N VAL A 14 3.306 21.734 7.344 1.00 0.00 N ATOM 154 CA VAL A 14 2.742 21.564 6.019 1.00 0.00 C ATOM 155 C VAL A 14 3.859 21.566 4.959 1.00 0.00 C ATOM 156 O VAL A 14 3.697 21.029 3.867 1.00 0.00 O ATOM 157 CB VAL A 14 1.694 22.677 5.708 1.00 0.00 C ATOM 158 CG1 VAL A 14 2.350 24.033 5.553 1.00 0.00 C ATOM 159 CG2 VAL A 14 0.879 22.339 4.482 1.00 0.00 C ATOM 0 H VAL A 14 3.106 22.640 7.769 1.00 0.00 H new ATOM 0 HA VAL A 14 2.230 20.602 5.989 1.00 0.00 H new ATOM 0 HB VAL A 14 1.018 22.727 6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.589 24.783 5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.866 24.295 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.068 23.998 4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.158 23.135 4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.541 22.237 3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.349 21.401 4.645 1.00 0.00 H new ATOM 169 N CYS A 15 5.002 22.143 5.314 1.00 0.00 N ATOM 170 CA CYS A 15 6.144 22.209 4.417 1.00 0.00 C ATOM 171 C CYS A 15 6.878 20.875 4.411 1.00 0.00 C ATOM 172 O CYS A 15 7.449 20.462 3.407 1.00 0.00 O ATOM 173 CB CYS A 15 7.087 23.339 4.859 1.00 0.00 C ATOM 174 SG CYS A 15 8.569 23.530 3.848 1.00 0.00 S ATOM 0 H CYS A 15 5.160 22.574 6.225 1.00 0.00 H new ATOM 0 HA CYS A 15 5.796 22.418 3.406 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.534 24.278 4.849 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.389 23.158 5.890 1.00 0.00 H new ATOM 179 N LYS A 16 6.828 20.187 5.543 1.00 0.00 N ATOM 180 CA LYS A 16 7.482 18.901 5.689 1.00 0.00 C ATOM 181 C LYS A 16 6.587 17.767 5.155 1.00 0.00 C ATOM 182 O LYS A 16 6.881 16.582 5.346 1.00 0.00 O ATOM 183 CB LYS A 16 7.841 18.658 7.168 1.00 0.00 C ATOM 184 CG LYS A 16 8.630 19.803 7.826 1.00 0.00 C ATOM 185 CD LYS A 16 9.949 20.074 7.103 1.00 0.00 C ATOM 186 CE LYS A 16 9.989 21.494 6.529 1.00 0.00 C ATOM 187 NZ LYS A 16 10.996 21.627 5.440 1.00 0.00 N ATOM 0 H LYS A 16 6.336 20.504 6.378 1.00 0.00 H new ATOM 0 HA LYS A 16 8.400 18.909 5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.922 18.496 7.731 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.425 17.741 7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.023 20.709 7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.831 19.554 8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.780 19.936 7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.080 19.351 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.003 21.758 6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.221 22.201 7.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.616 22.236 4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.866 22.050 5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.211 20.687 5.049 1.00 0.00 H new ATOM 201 N GLN A 17 5.497 18.143 4.482 1.00 0.00 N ATOM 202 CA GLN A 17 4.567 17.174 3.900 1.00 0.00 C ATOM 203 C GLN A 17 5.152 16.533 2.640 1.00 0.00 C ATOM 204 O GLN A 17 6.257 16.866 2.209 1.00 0.00 O ATOM 205 CB GLN A 17 3.220 17.833 3.565 1.00 0.00 C ATOM 206 CG GLN A 17 2.303 18.046 4.759 1.00 0.00 C ATOM 207 CD GLN A 17 0.972 18.690 4.373 1.00 0.00 C ATOM 208 OE1 GLN A 17 0.505 18.554 3.239 1.00 0.00 O ATOM 209 NE2 GLN A 17 0.335 19.340 5.326 1.00 0.00 N ATOM 0 H GLN A 17 5.236 19.117 4.326 1.00 0.00 H new ATOM 0 HA GLN A 17 4.404 16.396 4.646 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.410 18.797 3.093 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.701 17.216 2.831 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.112 17.087 5.241 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.808 18.676 5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.756 19.430 6.251 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.579 19.753 5.139 1.00 0.00 H new ATOM 218 N THR A 18 4.408 15.613 2.059 1.00 0.00 N ATOM 219 CA THR A 18 4.830 14.928 0.848 1.00 0.00 C ATOM 220 C THR A 18 3.605 14.503 0.022 1.00 0.00 C ATOM 221 O THR A 18 2.890 13.569 0.395 1.00 0.00 O ATOM 222 CB THR A 18 5.700 13.695 1.175 1.00 0.00 C ATOM 223 OG1 THR A 18 6.798 14.096 2.011 1.00 0.00 O ATOM 224 CG2 THR A 18 6.246 13.063 -0.101 1.00 0.00 C ATOM 0 H THR A 18 3.497 15.318 2.410 1.00 0.00 H new ATOM 0 HA THR A 18 5.433 15.623 0.264 1.00 0.00 H new ATOM 0 HB THR A 18 5.082 12.961 1.692 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.351 13.315 2.221 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.856 12.196 0.154 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.417 12.749 -0.735 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.856 13.791 -0.635 1.00 0.00 H new ATOM 232 N PRO A 19 3.335 15.198 -1.109 1.00 0.00 N ATOM 233 CA PRO A 19 4.164 16.306 -1.593 1.00 0.00 C ATOM 234 C PRO A 19 4.064 17.515 -0.686 1.00 0.00 C ATOM 235 O PRO A 19 3.191 17.574 0.188 1.00 0.00 O ATOM 236 CB PRO A 19 3.572 16.635 -2.978 1.00 0.00 C ATOM 237 CG PRO A 19 2.665 15.494 -3.295 1.00 0.00 C ATOM 238 CD PRO A 19 2.187 14.975 -1.977 1.00 0.00 C ATOM 0 HA PRO A 19 5.221 16.040 -1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.027 17.579 -2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 19 4.356 16.735 -3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.829 15.820 -3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.191 14.719 -3.853 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.305 15.511 -1.627 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.919 13.920 -2.031 1.00 0.00 H new ATOM 246 N CYS A 20 4.957 18.460 -0.885 1.00 0.00 N ATOM 247 CA CYS A 20 5.004 19.660 -0.082 1.00 0.00 C ATOM 248 C CYS A 20 3.643 20.334 -0.038 1.00 0.00 C ATOM 249 O CYS A 20 3.121 20.799 -1.060 1.00 0.00 O ATOM 250 CB CYS A 20 6.041 20.598 -0.642 1.00 0.00 C ATOM 251 SG CYS A 20 6.533 21.905 0.478 1.00 0.00 S ATOM 0 H CYS A 20 5.672 18.417 -1.611 1.00 0.00 H new ATOM 0 HA CYS A 20 5.276 19.392 0.939 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.924 20.022 -0.919 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.653 21.046 -1.557 1.00 0.00 H new ATOM 256 N GLY A 21 3.082 20.396 1.151 1.00 0.00 N ATOM 257 CA GLY A 21 1.765 20.924 1.325 1.00 0.00 C ATOM 258 C GLY A 21 1.706 22.423 1.181 1.00 0.00 C ATOM 259 O GLY A 21 0.630 22.982 0.995 1.00 0.00 O ATOM 0 H GLY A 21 3.530 20.082 2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.098 20.468 0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.395 20.645 2.312 1.00 0.00 H new ATOM 263 N CYS A 22 2.854 23.085 1.256 1.00 0.00 N ATOM 264 CA CYS A 22 2.906 24.537 1.103 1.00 0.00 C ATOM 265 C CYS A 22 2.309 24.967 -0.237 1.00 0.00 C ATOM 266 O CYS A 22 1.699 26.022 -0.343 1.00 0.00 O ATOM 267 CB CYS A 22 4.349 25.050 1.199 1.00 0.00 C ATOM 268 SG CYS A 22 5.074 25.036 2.859 1.00 0.00 S ATOM 0 H CYS A 22 3.759 22.644 1.421 1.00 0.00 H new ATOM 0 HA CYS A 22 2.319 24.969 1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.975 24.445 0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.379 26.070 0.817 1.00 0.00 H new ATOM 273 N ALA A 23 2.447 24.117 -1.241 1.00 0.00 N ATOM 274 CA ALA A 23 1.998 24.453 -2.584 1.00 0.00 C ATOM 275 C ALA A 23 0.497 24.229 -2.786 1.00 0.00 C ATOM 276 O ALA A 23 -0.077 24.727 -3.753 1.00 0.00 O ATOM 277 CB ALA A 23 2.795 23.670 -3.616 1.00 0.00 C ATOM 0 H ALA A 23 2.865 23.191 -1.153 1.00 0.00 H new ATOM 0 HA ALA A 23 2.175 25.520 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.450 23.930 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.853 23.916 -3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.655 22.602 -3.450 1.00 0.00 H new ATOM 283 N THR A 24 -0.140 23.495 -1.890 1.00 0.00 N ATOM 284 CA THR A 24 -1.561 23.213 -2.051 1.00 0.00 C ATOM 285 C THR A 24 -2.393 23.705 -0.858 1.00 0.00 C ATOM 286 O THR A 24 -3.605 23.899 -0.977 1.00 0.00 O ATOM 287 CB THR A 24 -1.820 21.699 -2.296 1.00 0.00 C ATOM 288 OG1 THR A 24 -3.216 21.463 -2.534 1.00 0.00 O ATOM 289 CG2 THR A 24 -1.357 20.863 -1.109 1.00 0.00 C ATOM 0 H THR A 24 0.291 23.090 -1.059 1.00 0.00 H new ATOM 0 HA THR A 24 -1.883 23.768 -2.932 1.00 0.00 H new ATOM 0 HB THR A 24 -1.248 21.402 -3.175 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.364 20.507 -2.688 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.551 19.809 -1.309 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.289 21.013 -0.953 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.900 21.169 -0.215 1.00 0.00 H new ATOM 297 N SER A 25 -1.751 23.911 0.275 1.00 0.00 N ATOM 298 CA SER A 25 -2.453 24.349 1.469 1.00 0.00 C ATOM 299 C SER A 25 -2.160 25.806 1.785 1.00 0.00 C ATOM 300 O SER A 25 -2.971 26.481 2.423 1.00 0.00 O ATOM 301 CB SER A 25 -2.073 23.474 2.663 1.00 0.00 C ATOM 302 OG SER A 25 -2.736 23.902 3.846 1.00 0.00 O ATOM 0 H SER A 25 -0.746 23.783 0.396 1.00 0.00 H new ATOM 0 HA SER A 25 -3.521 24.251 1.276 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.331 22.436 2.453 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.994 23.509 2.814 1.00 0.00 H new ATOM 0 HG SER A 25 -2.476 23.324 4.594 1.00 0.00 H new ATOM 308 N GLY A 26 -1.017 26.287 1.348 1.00 0.00 N ATOM 309 CA GLY A 26 -0.647 27.646 1.632 1.00 0.00 C ATOM 310 C GLY A 26 0.724 27.733 2.239 1.00 0.00 C ATOM 311 O GLY A 26 0.940 27.300 3.373 1.00 0.00 O ATOM 0 H GLY A 26 -0.337 25.759 0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.676 28.231 0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.375 28.087 2.313 1.00 0.00 H new ATOM 315 N CYS A 27 1.653 28.264 1.478 1.00 0.00 N ATOM 316 CA CYS A 27 3.020 28.425 1.920 1.00 0.00 C ATOM 317 C CYS A 27 3.067 29.375 3.119 1.00 0.00 C ATOM 318 O CYS A 27 2.751 30.562 2.990 1.00 0.00 O ATOM 319 CB CYS A 27 3.847 28.970 0.765 1.00 0.00 C ATOM 320 SG CYS A 27 5.613 28.897 1.026 1.00 0.00 S ATOM 0 H CYS A 27 1.481 28.598 0.530 1.00 0.00 H new ATOM 0 HA CYS A 27 3.431 27.465 2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.602 28.411 -0.138 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.561 30.006 0.586 1.00 0.00 H new ATOM 325 N ASN A 28 3.445 28.858 4.286 1.00 0.00 N ATOM 326 CA ASN A 28 3.408 29.666 5.501 1.00 0.00 C ATOM 327 C ASN A 28 4.719 29.579 6.299 1.00 0.00 C ATOM 328 O ASN A 28 4.775 29.966 7.461 1.00 0.00 O ATOM 329 CB ASN A 28 2.208 29.227 6.360 1.00 0.00 C ATOM 330 CG ASN A 28 1.823 30.230 7.443 1.00 0.00 C ATOM 331 OD1 ASN A 28 1.083 31.185 7.186 1.00 0.00 O ATOM 332 ND2 ASN A 28 2.286 30.007 8.657 1.00 0.00 N ATOM 0 H ASN A 28 3.774 27.901 4.415 1.00 0.00 H new ATOM 0 HA ASN A 28 3.293 30.712 5.215 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.349 29.062 5.709 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.440 28.271 6.830 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.035 30.634 9.422 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.895 29.208 8.832 1.00 0.00 H new ATOM 339 N CYS A 29 5.772 29.083 5.682 1.00 0.00 N ATOM 340 CA CYS A 29 7.054 29.013 6.360 1.00 0.00 C ATOM 341 C CYS A 29 7.827 30.301 6.156 1.00 0.00 C ATOM 342 O CYS A 29 7.317 31.265 5.567 1.00 0.00 O ATOM 343 CB CYS A 29 7.880 27.841 5.848 1.00 0.00 C ATOM 344 SG CYS A 29 8.134 27.851 4.082 1.00 0.00 S ATOM 0 H CYS A 29 5.769 28.727 4.726 1.00 0.00 H new ATOM 0 HA CYS A 29 6.862 28.868 7.423 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.850 27.849 6.345 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.386 26.911 6.129 1.00 0.00 H new ATOM 349 N THR A 30 9.045 30.320 6.636 1.00 0.00 N ATOM 350 CA THR A 30 9.907 31.457 6.470 1.00 0.00 C ATOM 351 C THR A 30 10.518 31.407 5.091 1.00 0.00 C ATOM 352 O THR A 30 10.765 30.325 4.574 1.00 0.00 O ATOM 353 CB THR A 30 11.028 31.435 7.516 1.00 0.00 C ATOM 354 OG1 THR A 30 11.634 30.120 7.539 1.00 0.00 O ATOM 355 CG2 THR A 30 10.483 31.775 8.895 1.00 0.00 C ATOM 0 H THR A 30 9.464 29.547 7.152 1.00 0.00 H new ATOM 0 HA THR A 30 9.324 32.369 6.596 1.00 0.00 H new ATOM 0 HB THR A 30 11.775 32.182 7.248 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.242 30.026 6.776 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.295 31.754 9.622 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.039 32.770 8.876 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.724 31.045 9.177 1.00 0.00 H new ATOM 363 N ASP A 31 10.788 32.552 4.498 1.00 0.00 N ATOM 364 CA ASP A 31 11.372 32.571 3.158 1.00 0.00 C ATOM 365 C ASP A 31 12.815 32.087 3.206 1.00 0.00 C ATOM 366 O ASP A 31 13.428 31.804 2.180 1.00 0.00 O ATOM 367 CB ASP A 31 11.279 33.955 2.524 1.00 0.00 C ATOM 368 CG ASP A 31 11.745 33.957 1.078 1.00 0.00 C ATOM 369 OD1 ASP A 31 11.116 33.263 0.245 1.00 0.00 O ATOM 370 OD2 ASP A 31 12.735 34.657 0.766 1.00 0.00 O ATOM 0 H ASP A 31 10.619 33.471 4.908 1.00 0.00 H new ATOM 0 HA ASP A 31 10.797 31.891 2.530 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.248 34.306 2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.882 34.657 3.099 1.00 0.00 H new ATOM 375 N ASP A 32 13.345 31.977 4.427 1.00 0.00 N ATOM 376 CA ASP A 32 14.677 31.425 4.656 1.00 0.00 C ATOM 377 C ASP A 32 14.681 29.933 4.331 1.00 0.00 C ATOM 378 O ASP A 32 15.732 29.291 4.284 1.00 0.00 O ATOM 379 CB ASP A 32 15.114 31.656 6.107 1.00 0.00 C ATOM 380 CG ASP A 32 16.516 31.154 6.379 1.00 0.00 C ATOM 381 OD1 ASP A 32 17.472 31.709 5.798 1.00 0.00 O ATOM 382 OD2 ASP A 32 16.673 30.206 7.171 1.00 0.00 O ATOM 0 H ASP A 32 12.864 32.267 5.278 1.00 0.00 H new ATOM 0 HA ASP A 32 15.385 31.933 4.002 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.063 32.721 6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.416 31.154 6.777 1.00 0.00 H new ATOM 387 N CYS A 33 13.479 29.397 4.116 1.00 0.00 N ATOM 388 CA CYS A 33 13.277 28.022 3.733 1.00 0.00 C ATOM 389 C CYS A 33 14.200 27.615 2.578 1.00 0.00 C ATOM 390 O CYS A 33 14.277 28.298 1.550 1.00 0.00 O ATOM 391 CB CYS A 33 11.826 27.826 3.326 1.00 0.00 C ATOM 392 SG CYS A 33 11.493 26.232 2.598 1.00 0.00 S ATOM 0 H CYS A 33 12.611 29.925 4.208 1.00 0.00 H new ATOM 0 HA CYS A 33 13.518 27.389 4.587 1.00 0.00 H new ATOM 0 HB2 CYS A 33 11.192 27.954 4.203 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.549 28.605 2.615 1.00 0.00 H new ATOM 397 N LYS A 34 14.909 26.518 2.771 1.00 0.00 N ATOM 398 CA LYS A 34 15.816 25.994 1.769 1.00 0.00 C ATOM 399 C LYS A 34 15.193 24.830 1.006 1.00 0.00 C ATOM 400 O LYS A 34 15.910 23.982 0.465 1.00 0.00 O ATOM 401 CB LYS A 34 17.118 25.544 2.431 1.00 0.00 C ATOM 402 CG LYS A 34 17.881 26.670 3.097 1.00 0.00 C ATOM 403 CD LYS A 34 18.245 27.754 2.097 1.00 0.00 C ATOM 404 CE LYS A 34 18.906 28.921 2.780 1.00 0.00 C ATOM 405 NZ LYS A 34 20.281 28.595 3.229 1.00 0.00 N ATOM 0 H LYS A 34 14.872 25.966 3.628 1.00 0.00 H new ATOM 0 HA LYS A 34 16.025 26.791 1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.892 24.780 3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 34 17.756 25.079 1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.278 27.098 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.788 26.276 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.914 27.345 1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.347 28.092 1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.939 29.770 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.307 29.226 3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.713 29.435 3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.245 27.824 3.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.851 28.296 2.412 1.00 0.00 H new ATOM 419 N CYS A 35 13.871 24.799 0.935 1.00 0.00 N ATOM 420 CA CYS A 35 13.191 23.750 0.227 1.00 0.00 C ATOM 421 C CYS A 35 12.930 24.258 -1.169 1.00 0.00 C ATOM 422 O CYS A 35 13.070 25.443 -1.418 1.00 0.00 O ATOM 423 CB CYS A 35 11.872 23.391 0.944 1.00 0.00 C ATOM 424 SG CYS A 35 11.053 21.882 0.348 1.00 0.00 S ATOM 0 H CYS A 35 13.257 25.492 1.362 1.00 0.00 H new ATOM 0 HA CYS A 35 13.794 22.843 0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 35 12.075 23.279 2.009 1.00 0.00 H new ATOM 0 HB3 CYS A 35 11.180 24.227 0.838 1.00 0.00 H new ATOM 429 N GLN A 36 12.610 23.392 -2.087 1.00 0.00 N ATOM 430 CA GLN A 36 12.325 23.839 -3.433 1.00 0.00 C ATOM 431 C GLN A 36 10.979 23.340 -3.876 1.00 0.00 C ATOM 432 O GLN A 36 10.541 23.595 -4.992 1.00 0.00 O ATOM 433 CB GLN A 36 13.406 23.382 -4.389 1.00 0.00 C ATOM 434 CG GLN A 36 14.791 23.819 -3.977 1.00 0.00 C ATOM 435 CD GLN A 36 15.821 23.463 -5.000 1.00 0.00 C ATOM 436 OE1 GLN A 36 16.135 24.250 -5.890 1.00 0.00 O ATOM 437 NE2 GLN A 36 16.348 22.262 -4.902 1.00 0.00 N ATOM 0 H GLN A 36 12.539 22.385 -1.939 1.00 0.00 H new ATOM 0 HA GLN A 36 12.307 24.929 -3.438 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.382 22.295 -4.461 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.190 23.772 -5.384 1.00 0.00 H new ATOM 0 HG2 GLN A 36 14.798 24.897 -3.817 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.049 23.354 -3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.060 21.639 -4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.045 21.954 -5.580 1.00 0.00 H new ATOM 446 N SER A 37 10.309 22.651 -2.983 1.00 0.00 N ATOM 447 CA SER A 37 9.019 22.092 -3.282 1.00 0.00 C ATOM 448 C SER A 37 7.945 23.165 -3.203 1.00 0.00 C ATOM 449 O SER A 37 6.894 23.064 -3.842 1.00 0.00 O ATOM 450 CB SER A 37 8.726 20.945 -2.334 1.00 0.00 C ATOM 451 OG SER A 37 9.781 19.994 -2.353 1.00 0.00 O ATOM 0 H SER A 37 10.642 22.465 -2.037 1.00 0.00 H new ATOM 0 HA SER A 37 9.022 21.703 -4.300 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.594 21.328 -1.322 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.790 20.463 -2.617 1.00 0.00 H new ATOM 0 HG SER A 37 10.420 20.200 -1.640 1.00 0.00 H new ATOM 457 N CYS A 38 8.219 24.194 -2.427 1.00 0.00 N ATOM 458 CA CYS A 38 7.326 25.315 -2.308 1.00 0.00 C ATOM 459 C CYS A 38 7.907 26.503 -3.052 1.00 0.00 C ATOM 460 O CYS A 38 7.246 27.518 -3.257 1.00 0.00 O ATOM 461 CB CYS A 38 7.119 25.651 -0.837 1.00 0.00 C ATOM 462 SG CYS A 38 8.653 25.796 0.103 1.00 0.00 S ATOM 0 H CYS A 38 9.066 24.271 -1.865 1.00 0.00 H new ATOM 0 HA CYS A 38 6.359 25.065 -2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.569 26.589 -0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.497 24.880 -0.382 1.00 0.00 H new ATOM 467 N LYS A 39 9.153 26.349 -3.476 1.00 0.00 N ATOM 468 CA LYS A 39 9.877 27.396 -4.174 1.00 0.00 C ATOM 469 C LYS A 39 10.155 26.948 -5.608 1.00 0.00 C ATOM 470 O LYS A 39 11.164 27.330 -6.205 1.00 0.00 O ATOM 471 CB LYS A 39 11.213 27.674 -3.459 1.00 0.00 C ATOM 472 CG LYS A 39 11.182 27.482 -1.944 1.00 0.00 C ATOM 473 CD LYS A 39 10.286 28.467 -1.232 1.00 0.00 C ATOM 474 CE LYS A 39 10.833 29.886 -1.312 1.00 0.00 C ATOM 475 NZ LYS A 39 10.051 30.838 -0.474 1.00 0.00 N ATOM 0 H LYS A 39 9.690 25.492 -3.344 1.00 0.00 H new ATOM 0 HA LYS A 39 9.277 28.306 -4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.976 27.019 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.518 28.698 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.846 26.469 -1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.195 27.575 -1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.289 28.436 -1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.183 28.175 -0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.874 29.891 -0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.819 30.221 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.642 31.661 -0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.211 31.154 -1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.753 30.365 0.403 1.00 0.00 H new ATOM 489 N TYR A 40 9.243 26.135 -6.147 1.00 0.00 N ATOM 490 CA TYR A 40 9.374 25.575 -7.498 1.00 0.00 C ATOM 491 C TYR A 40 9.687 26.644 -8.542 1.00 0.00 C ATOM 492 O TYR A 40 9.157 27.755 -8.495 1.00 0.00 O ATOM 493 CB TYR A 40 8.113 24.784 -7.891 1.00 0.00 C ATOM 494 CG TYR A 40 6.814 25.564 -7.770 1.00 0.00 C ATOM 495 CD1 TYR A 40 6.286 26.249 -8.859 1.00 0.00 C ATOM 496 CD2 TYR A 40 6.117 25.611 -6.566 1.00 0.00 C ATOM 497 CE1 TYR A 40 5.104 26.958 -8.752 1.00 0.00 C ATOM 498 CE2 TYR A 40 4.934 26.317 -6.453 1.00 0.00 C ATOM 499 CZ TYR A 40 4.433 26.988 -7.549 1.00 0.00 C ATOM 500 OH TYR A 40 3.254 27.692 -7.440 1.00 0.00 O ATOM 0 H TYR A 40 8.394 25.846 -5.662 1.00 0.00 H new ATOM 0 HA TYR A 40 10.222 24.890 -7.475 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.221 24.441 -8.920 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.048 23.895 -7.264 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.808 26.227 -9.804 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.507 25.087 -5.706 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.709 27.486 -9.607 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.405 26.343 -5.512 1.00 0.00 H new ATOM 0 HH TYR A 40 2.908 27.611 -6.527 1.00 0.00 H new ATOM 510 N GLY A 41 10.551 26.296 -9.475 1.00 0.00 N ATOM 511 CA GLY A 41 10.964 27.221 -10.498 1.00 0.00 C ATOM 512 C GLY A 41 12.387 26.958 -10.887 1.00 0.00 C ATOM 513 O GLY A 41 12.773 27.120 -12.042 1.00 0.00 O ATOM 0 H GLY A 41 10.980 25.373 -9.541 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.317 27.124 -11.370 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.861 28.244 -10.137 1.00 0.00 H new ATOM 517 N ALA A 42 13.166 26.512 -9.913 1.00 0.00 N ATOM 518 CA ALA A 42 14.558 26.169 -10.126 1.00 0.00 C ATOM 519 C ALA A 42 14.676 24.705 -10.528 1.00 0.00 C ATOM 520 O ALA A 42 15.749 24.105 -10.454 1.00 0.00 O ATOM 521 CB ALA A 42 15.363 26.440 -8.863 1.00 0.00 C ATOM 0 H ALA A 42 12.848 26.379 -8.953 1.00 0.00 H new ATOM 0 HA ALA A 42 14.958 26.786 -10.931 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.407 26.179 -9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 42 15.291 27.497 -8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.968 25.839 -8.044 1.00 0.00 H new ATOM 527 N GLY A 43 13.568 24.141 -10.970 1.00 0.00 N ATOM 528 CA GLY A 43 13.554 22.765 -11.369 1.00 0.00 C ATOM 529 C GLY A 43 12.664 22.470 -12.544 1.00 0.00 C ATOM 530 O GLY A 43 12.722 21.385 -13.095 1.00 0.00 O ATOM 0 H GLY A 43 12.673 24.621 -11.058 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.571 22.459 -11.613 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.233 22.157 -10.523 1.00 0.00 H new ATOM 534 N CYS A 44 11.888 23.437 -12.963 1.00 0.00 N ATOM 535 CA CYS A 44 10.904 23.197 -14.019 1.00 0.00 C ATOM 536 C CYS A 44 10.995 24.184 -15.157 1.00 0.00 C ATOM 537 O CYS A 44 11.825 25.096 -15.154 1.00 0.00 O ATOM 538 CB CYS A 44 9.484 23.196 -13.452 1.00 0.00 C ATOM 539 SG CYS A 44 8.963 21.614 -12.777 1.00 0.00 S ATOM 0 H CYS A 44 11.908 24.391 -12.602 1.00 0.00 H new ATOM 0 HA CYS A 44 11.140 22.214 -14.426 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.416 23.952 -12.670 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.790 23.489 -14.240 1.00 0.00 H new ATOM 544 N THR A 45 10.130 23.975 -16.130 1.00 0.00 N ATOM 545 CA THR A 45 10.031 24.805 -17.290 1.00 0.00 C ATOM 546 C THR A 45 8.572 24.860 -17.729 1.00 0.00 C ATOM 547 O THR A 45 7.731 24.108 -17.218 1.00 0.00 O ATOM 548 CB THR A 45 10.907 24.257 -18.449 1.00 0.00 C ATOM 549 OG1 THR A 45 10.855 25.137 -19.579 1.00 0.00 O ATOM 550 CG2 THR A 45 10.444 22.872 -18.873 1.00 0.00 C ATOM 0 H THR A 45 9.465 23.201 -16.125 1.00 0.00 H new ATOM 0 HA THR A 45 10.391 25.803 -17.042 1.00 0.00 H new ATOM 0 HB THR A 45 11.933 24.193 -18.085 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.814 24.609 -20.403 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.074 22.511 -19.686 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.517 22.189 -18.027 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.409 22.922 -19.211 1.00 0.00 H new ATOM 558 N ASP A 46 8.280 25.713 -18.677 1.00 0.00 N ATOM 559 CA ASP A 46 6.914 25.878 -19.168 1.00 0.00 C ATOM 560 C ASP A 46 6.508 24.701 -20.035 1.00 0.00 C ATOM 561 O ASP A 46 5.328 24.457 -20.261 1.00 0.00 O ATOM 562 CB ASP A 46 6.778 27.179 -19.956 1.00 0.00 C ATOM 563 CG ASP A 46 6.926 28.407 -19.088 1.00 0.00 C ATOM 564 OD1 ASP A 46 8.077 28.753 -18.728 1.00 0.00 O ATOM 565 OD2 ASP A 46 5.900 29.040 -18.766 1.00 0.00 O ATOM 0 H ASP A 46 8.967 26.313 -19.134 1.00 0.00 H new ATOM 0 HA ASP A 46 6.250 25.920 -18.305 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.532 27.203 -20.743 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.805 27.201 -20.447 1.00 0.00 H new ATOM 570 N THR A 47 7.493 23.964 -20.496 1.00 0.00 N ATOM 571 CA THR A 47 7.266 22.817 -21.344 1.00 0.00 C ATOM 572 C THR A 47 6.784 21.605 -20.515 1.00 0.00 C ATOM 573 O THR A 47 6.173 20.678 -21.045 1.00 0.00 O ATOM 574 CB THR A 47 8.566 22.462 -22.096 1.00 0.00 C ATOM 575 OG1 THR A 47 9.205 23.676 -22.535 1.00 0.00 O ATOM 576 CG2 THR A 47 8.276 21.595 -23.308 1.00 0.00 C ATOM 0 H THR A 47 8.476 24.144 -20.293 1.00 0.00 H new ATOM 0 HA THR A 47 6.487 23.066 -22.065 1.00 0.00 H new ATOM 0 HB THR A 47 9.216 21.909 -21.418 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.032 23.456 -23.012 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.210 21.360 -23.819 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.795 20.671 -22.988 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.615 22.131 -23.989 1.00 0.00 H new ATOM 584 N CYS A 48 7.030 21.644 -19.214 1.00 0.00 N ATOM 585 CA CYS A 48 6.655 20.540 -18.327 1.00 0.00 C ATOM 586 C CYS A 48 5.247 20.725 -17.775 1.00 0.00 C ATOM 587 O CYS A 48 4.538 19.754 -17.506 1.00 0.00 O ATOM 588 CB CYS A 48 7.659 20.418 -17.172 1.00 0.00 C ATOM 589 SG CYS A 48 7.205 19.198 -15.912 1.00 0.00 S ATOM 0 H CYS A 48 7.487 22.425 -18.744 1.00 0.00 H new ATOM 0 HA CYS A 48 6.671 19.622 -18.915 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.634 20.154 -17.581 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.766 21.392 -16.695 1.00 0.00 H new ATOM 594 N LYS A 49 4.829 21.972 -17.640 1.00 0.00 N ATOM 595 CA LYS A 49 3.526 22.283 -17.064 1.00 0.00 C ATOM 596 C LYS A 49 2.394 22.055 -18.070 1.00 0.00 C ATOM 597 O LYS A 49 1.224 22.311 -17.770 1.00 0.00 O ATOM 598 CB LYS A 49 3.506 23.722 -16.557 1.00 0.00 C ATOM 599 CG LYS A 49 3.541 24.768 -17.660 1.00 0.00 C ATOM 600 CD LYS A 49 3.818 26.148 -17.100 1.00 0.00 C ATOM 601 CE LYS A 49 2.780 26.562 -16.065 1.00 0.00 C ATOM 602 NZ LYS A 49 3.150 27.829 -15.390 1.00 0.00 N ATOM 0 H LYS A 49 5.372 22.789 -17.921 1.00 0.00 H new ATOM 0 HA LYS A 49 3.361 21.606 -16.226 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.609 23.872 -15.957 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.360 23.876 -15.898 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.310 24.507 -18.387 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.589 24.773 -18.190 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.809 26.163 -16.646 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.829 26.874 -17.913 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.810 26.678 -16.549 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.673 25.772 -15.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.419 28.077 -14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.063 27.711 -14.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.227 28.589 -16.096 1.00 0.00 H new ATOM 616 N GLN A 50 2.747 21.570 -19.250 1.00 0.00 N ATOM 617 CA GLN A 50 1.778 21.291 -20.281 1.00 0.00 C ATOM 618 C GLN A 50 1.014 20.010 -19.944 1.00 0.00 C ATOM 619 O GLN A 50 1.277 19.375 -18.922 1.00 0.00 O ATOM 620 CB GLN A 50 2.478 21.146 -21.627 1.00 0.00 C ATOM 621 CG GLN A 50 3.489 22.242 -21.896 1.00 0.00 C ATOM 622 CD GLN A 50 3.821 22.386 -23.357 1.00 0.00 C ATOM 623 OE1 GLN A 50 3.716 21.435 -24.128 1.00 0.00 O ATOM 624 NE2 GLN A 50 4.264 23.545 -23.732 1.00 0.00 N ATOM 0 H GLN A 50 3.710 21.362 -19.513 1.00 0.00 H new ATOM 0 HA GLN A 50 1.071 22.119 -20.339 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.981 20.180 -21.665 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.730 21.148 -22.420 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.099 23.189 -21.522 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.403 22.031 -21.340 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.334 24.307 -23.057 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.542 23.695 -24.702 1.00 0.00 H new ATOM 633 N THR A 51 0.093 19.633 -20.795 1.00 0.00 N ATOM 634 CA THR A 51 -0.692 18.433 -20.585 1.00 0.00 C ATOM 635 C THR A 51 -0.748 17.599 -21.874 1.00 0.00 C ATOM 636 O THR A 51 -1.206 18.081 -22.913 1.00 0.00 O ATOM 637 CB THR A 51 -2.128 18.772 -20.112 1.00 0.00 C ATOM 638 OG1 THR A 51 -2.070 19.629 -18.958 1.00 0.00 O ATOM 639 CG2 THR A 51 -2.892 17.505 -19.751 1.00 0.00 C ATOM 0 H THR A 51 -0.136 20.142 -21.649 1.00 0.00 H new ATOM 0 HA THR A 51 -0.206 17.851 -19.802 1.00 0.00 H new ATOM 0 HB THR A 51 -2.645 19.278 -20.927 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.980 19.842 -18.663 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.897 17.768 -19.422 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.954 16.856 -20.625 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.372 16.983 -18.948 1.00 0.00 H new ATOM 647 N PRO A 52 -0.276 16.331 -21.827 1.00 0.00 N ATOM 648 CA PRO A 52 0.262 15.717 -20.603 1.00 0.00 C ATOM 649 C PRO A 52 1.594 16.326 -20.193 1.00 0.00 C ATOM 650 O PRO A 52 1.825 16.596 -19.018 1.00 0.00 O ATOM 651 CB PRO A 52 0.450 14.237 -20.983 1.00 0.00 C ATOM 652 CG PRO A 52 -0.259 14.065 -22.288 1.00 0.00 C ATOM 653 CD PRO A 52 -0.235 15.401 -22.960 1.00 0.00 C ATOM 0 HA PRO A 52 -0.403 15.868 -19.752 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.507 13.987 -21.075 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.032 13.580 -20.220 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.235 13.312 -22.902 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.283 13.727 -22.132 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.664 15.536 -23.562 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.088 15.535 -23.625 1.00 0.00 H new ATOM 661 N CYS A 53 2.462 16.525 -21.169 1.00 0.00 N ATOM 662 CA CYS A 53 3.756 17.135 -20.946 1.00 0.00 C ATOM 663 C CYS A 53 4.426 17.391 -22.287 1.00 0.00 C ATOM 664 O CYS A 53 4.304 16.583 -23.203 1.00 0.00 O ATOM 665 CB CYS A 53 4.636 16.215 -20.099 1.00 0.00 C ATOM 666 SG CYS A 53 6.073 17.032 -19.373 1.00 0.00 S ATOM 0 H CYS A 53 2.287 16.267 -22.140 1.00 0.00 H new ATOM 0 HA CYS A 53 3.621 18.077 -20.415 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.032 15.788 -19.299 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.977 15.386 -20.718 1.00 0.00 H new ATOM 671 N GLY A 54 5.102 18.523 -22.414 1.00 0.00 N ATOM 672 CA GLY A 54 5.804 18.821 -23.642 1.00 0.00 C ATOM 673 C GLY A 54 7.257 18.387 -23.582 1.00 0.00 C ATOM 674 O GLY A 54 7.901 18.189 -24.615 1.00 0.00 O ATOM 0 H GLY A 54 5.176 19.238 -21.690 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.309 18.320 -24.474 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.753 19.892 -23.839 1.00 0.00 H new ATOM 678 N CYS A 55 7.772 18.220 -22.364 1.00 0.00 N ATOM 679 CA CYS A 55 9.161 17.848 -22.156 1.00 0.00 C ATOM 680 C CYS A 55 9.451 16.422 -22.607 1.00 0.00 C ATOM 681 O CYS A 55 10.611 16.022 -22.710 1.00 0.00 O ATOM 682 CB CYS A 55 9.549 18.038 -20.700 1.00 0.00 C ATOM 683 SG CYS A 55 9.652 19.760 -20.189 1.00 0.00 S ATOM 0 H CYS A 55 7.238 18.339 -21.503 1.00 0.00 H new ATOM 0 HA CYS A 55 9.768 18.509 -22.775 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.821 17.526 -20.071 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.513 17.560 -20.526 1.00 0.00 H new ATOM 688 N GLY A 56 8.407 15.659 -22.883 1.00 0.00 N ATOM 689 CA GLY A 56 8.603 14.320 -23.385 1.00 0.00 C ATOM 690 C GLY A 56 9.197 14.354 -24.776 1.00 0.00 C ATOM 691 O GLY A 56 9.945 13.455 -25.173 1.00 0.00 O ATOM 0 H GLY A 56 7.434 15.941 -22.769 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.263 13.768 -22.716 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.651 13.790 -23.403 1.00 0.00 H new ATOM 695 N SER A 57 8.872 15.407 -25.511 1.00 0.00 N ATOM 696 CA SER A 57 9.377 15.605 -26.854 1.00 0.00 C ATOM 697 C SER A 57 10.595 16.523 -26.841 1.00 0.00 C ATOM 698 O SER A 57 11.277 16.692 -27.853 1.00 0.00 O ATOM 699 CB SER A 57 8.280 16.200 -27.735 1.00 0.00 C ATOM 700 OG SER A 57 7.113 15.387 -27.715 1.00 0.00 O ATOM 0 H SER A 57 8.249 16.148 -25.189 1.00 0.00 H new ATOM 0 HA SER A 57 9.680 14.640 -27.260 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.034 17.204 -27.388 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.643 16.297 -28.758 1.00 0.00 H new ATOM 0 HG SER A 57 6.424 15.789 -28.285 1.00 0.00 H new ATOM 706 N GLY A 58 10.869 17.099 -25.693 1.00 0.00 N ATOM 707 CA GLY A 58 11.985 18.003 -25.566 1.00 0.00 C ATOM 708 C GLY A 58 11.974 18.721 -24.244 1.00 0.00 C ATOM 709 O GLY A 58 11.308 19.746 -24.089 1.00 0.00 O ATOM 0 H GLY A 58 10.334 16.957 -24.836 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.917 17.447 -25.670 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.956 18.732 -26.376 1.00 0.00 H new ATOM 713 N CYS A 59 12.699 18.180 -23.293 1.00 0.00 N ATOM 714 CA CYS A 59 12.771 18.744 -21.964 1.00 0.00 C ATOM 715 C CYS A 59 13.630 19.997 -21.937 1.00 0.00 C ATOM 716 O CYS A 59 14.611 20.111 -22.679 1.00 0.00 O ATOM 717 CB CYS A 59 13.320 17.708 -20.989 1.00 0.00 C ATOM 718 SG CYS A 59 13.675 18.353 -19.340 1.00 0.00 S ATOM 0 H CYS A 59 13.257 17.335 -23.418 1.00 0.00 H new ATOM 0 HA CYS A 59 11.762 19.026 -21.662 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.602 16.893 -20.901 1.00 0.00 H new ATOM 0 HB3 CYS A 59 14.234 17.284 -21.405 1.00 0.00 H new ATOM 723 N ASN A 60 13.255 20.937 -21.085 1.00 0.00 N ATOM 724 CA ASN A 60 14.002 22.172 -20.932 1.00 0.00 C ATOM 725 C ASN A 60 13.940 22.626 -19.475 1.00 0.00 C ATOM 726 O ASN A 60 14.008 23.819 -19.175 1.00 0.00 O ATOM 727 CB ASN A 60 13.429 23.262 -21.854 1.00 0.00 C ATOM 728 CG ASN A 60 14.481 24.280 -22.285 1.00 0.00 C ATOM 729 OD1 ASN A 60 15.128 24.116 -23.324 1.00 0.00 O ATOM 730 ND2 ASN A 60 14.660 25.329 -21.502 1.00 0.00 N ATOM 0 H ASN A 60 12.432 20.866 -20.486 1.00 0.00 H new ATOM 0 HA ASN A 60 15.041 21.998 -21.211 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.998 22.794 -22.739 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.619 23.778 -21.340 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.351 26.037 -21.748 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.107 25.431 -20.651 1.00 0.00 H new ATOM 737 N CYS A 61 13.804 21.661 -18.568 1.00 0.00 N ATOM 738 CA CYS A 61 13.735 21.953 -17.140 1.00 0.00 C ATOM 739 C CYS A 61 15.099 22.336 -16.578 1.00 0.00 C ATOM 740 O CYS A 61 16.091 22.425 -17.311 1.00 0.00 O ATOM 741 CB CYS A 61 13.167 20.764 -16.363 1.00 0.00 C ATOM 742 SG CYS A 61 11.379 20.618 -16.442 1.00 0.00 S ATOM 0 H CYS A 61 13.739 20.669 -18.798 1.00 0.00 H new ATOM 0 HA CYS A 61 13.065 22.805 -17.020 1.00 0.00 H new ATOM 0 HB2 CYS A 61 13.612 19.847 -16.748 1.00 0.00 H new ATOM 0 HB3 CYS A 61 13.467 20.850 -15.319 1.00 0.00 H new ATOM 747 N LYS A 62 15.150 22.533 -15.274 1.00 0.00 N ATOM 748 CA LYS A 62 16.370 22.963 -14.618 1.00 0.00 C ATOM 749 C LYS A 62 17.135 21.766 -14.044 1.00 0.00 C ATOM 750 O LYS A 62 18.112 21.311 -14.628 1.00 0.00 O ATOM 751 CB LYS A 62 16.044 23.957 -13.501 1.00 0.00 C ATOM 752 CG LYS A 62 15.202 25.157 -13.926 1.00 0.00 C ATOM 753 CD LYS A 62 15.971 26.466 -13.773 1.00 0.00 C ATOM 754 CE LYS A 62 17.177 26.517 -14.680 1.00 0.00 C ATOM 755 NZ LYS A 62 17.932 27.783 -14.518 1.00 0.00 N ATOM 0 H LYS A 62 14.357 22.401 -14.646 1.00 0.00 H new ATOM 0 HA LYS A 62 17.002 23.450 -15.361 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.518 23.427 -12.707 1.00 0.00 H new ATOM 0 HB3 LYS A 62 16.979 24.322 -13.076 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.892 25.036 -14.964 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.294 25.196 -13.325 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.311 27.304 -13.998 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.290 26.581 -12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.831 25.673 -14.463 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.857 26.414 -15.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.753 27.782 -15.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.315 28.587 -14.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.259 27.869 -13.534 1.00 0.00 H new ATOM 769 N GLU A 63 16.652 21.249 -12.912 1.00 0.00 N ATOM 770 CA GLU A 63 17.301 20.127 -12.212 1.00 0.00 C ATOM 771 C GLU A 63 16.402 19.615 -11.076 1.00 0.00 C ATOM 772 O GLU A 63 16.432 18.452 -10.728 1.00 0.00 O ATOM 773 CB GLU A 63 18.668 20.566 -11.653 1.00 0.00 C ATOM 774 CG GLU A 63 19.875 19.859 -12.284 1.00 0.00 C ATOM 775 CD GLU A 63 20.070 18.449 -11.760 1.00 0.00 C ATOM 776 OE1 GLU A 63 19.914 17.485 -12.533 1.00 0.00 O ATOM 777 OE2 GLU A 63 20.356 18.302 -10.557 1.00 0.00 O ATOM 0 H GLU A 63 15.807 21.590 -12.454 1.00 0.00 H new ATOM 0 HA GLU A 63 17.458 19.317 -12.924 1.00 0.00 H new ATOM 0 HB2 GLU A 63 18.777 21.641 -11.798 1.00 0.00 H new ATOM 0 HB3 GLU A 63 18.680 20.387 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.746 19.825 -13.366 1.00 0.00 H new ATOM 0 HG3 GLU A 63 20.775 20.442 -12.089 1.00 0.00 H new ATOM 784 N ASP A 64 15.606 20.508 -10.513 1.00 0.00 N ATOM 785 CA ASP A 64 14.664 20.165 -9.433 1.00 0.00 C ATOM 786 C ASP A 64 13.259 19.848 -10.010 1.00 0.00 C ATOM 787 O ASP A 64 12.260 20.466 -9.635 1.00 0.00 O ATOM 788 CB ASP A 64 14.591 21.346 -8.432 1.00 0.00 C ATOM 789 CG ASP A 64 13.723 21.070 -7.216 1.00 0.00 C ATOM 790 OD1 ASP A 64 12.686 21.752 -7.062 1.00 0.00 O ATOM 791 OD2 ASP A 64 14.065 20.182 -6.419 1.00 0.00 O ATOM 0 H ASP A 64 15.586 21.492 -10.783 1.00 0.00 H new ATOM 0 HA ASP A 64 15.017 19.273 -8.915 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.600 21.589 -8.098 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.206 22.225 -8.949 1.00 0.00 H new ATOM 796 N CYS A 65 13.197 18.912 -10.952 1.00 0.00 N ATOM 797 CA CYS A 65 11.908 18.518 -11.543 1.00 0.00 C ATOM 798 C CYS A 65 11.299 17.350 -10.783 1.00 0.00 C ATOM 799 O CYS A 65 12.005 16.421 -10.385 1.00 0.00 O ATOM 800 CB CYS A 65 12.052 18.159 -13.029 1.00 0.00 C ATOM 801 SG CYS A 65 10.498 17.593 -13.811 1.00 0.00 S ATOM 0 H CYS A 65 14.007 18.415 -11.323 1.00 0.00 H new ATOM 0 HA CYS A 65 11.242 19.377 -11.465 1.00 0.00 H new ATOM 0 HB2 CYS A 65 12.422 19.031 -13.569 1.00 0.00 H new ATOM 0 HB3 CYS A 65 12.805 17.377 -13.132 1.00 0.00 H new ATOM 806 N ARG A 66 9.983 17.398 -10.606 1.00 0.00 N ATOM 807 CA ARG A 66 9.246 16.377 -9.863 1.00 0.00 C ATOM 808 C ARG A 66 8.480 15.468 -10.803 1.00 0.00 C ATOM 809 O ARG A 66 7.608 14.711 -10.379 1.00 0.00 O ATOM 810 CB ARG A 66 8.282 17.053 -8.884 1.00 0.00 C ATOM 811 CG ARG A 66 8.991 17.699 -7.724 1.00 0.00 C ATOM 812 CD ARG A 66 8.170 18.802 -7.057 1.00 0.00 C ATOM 813 NE ARG A 66 8.922 19.346 -5.924 1.00 0.00 N ATOM 814 CZ ARG A 66 10.075 20.019 -6.058 1.00 0.00 C ATOM 815 NH1 ARG A 66 10.481 20.412 -7.251 1.00 0.00 N ATOM 816 NH2 ARG A 66 10.805 20.318 -4.999 1.00 0.00 N ATOM 0 H ARG A 66 9.395 18.146 -10.973 1.00 0.00 H new ATOM 0 HA ARG A 66 9.960 15.766 -9.310 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.701 17.807 -9.415 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.576 16.313 -8.507 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.233 16.936 -6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.936 18.117 -8.071 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.949 19.592 -7.775 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.214 18.404 -6.717 1.00 0.00 H new ATOM 0 HE ARG A 66 8.550 19.206 -4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.918 20.204 -8.075 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.358 20.923 -7.348 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.494 20.037 -4.069 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.680 20.830 -5.111 1.00 0.00 H new ATOM 830 N CYS A 67 8.811 15.533 -12.068 1.00 0.00 N ATOM 831 CA CYS A 67 8.122 14.750 -13.054 1.00 0.00 C ATOM 832 C CYS A 67 8.975 13.600 -13.553 1.00 0.00 C ATOM 833 O CYS A 67 10.113 13.789 -13.974 1.00 0.00 O ATOM 834 CB CYS A 67 7.708 15.619 -14.218 1.00 0.00 C ATOM 835 SG CYS A 67 6.637 14.780 -15.379 1.00 0.00 S ATOM 0 H CYS A 67 9.557 16.123 -12.437 1.00 0.00 H new ATOM 0 HA CYS A 67 7.235 14.332 -12.578 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.198 16.505 -13.838 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.600 15.964 -14.741 1.00 0.00 H new ATOM 840 N GLN A 68 8.404 12.413 -13.525 1.00 0.00 N ATOM 841 CA GLN A 68 9.083 11.213 -13.988 1.00 0.00 C ATOM 842 C GLN A 68 8.783 10.954 -15.470 1.00 0.00 C ATOM 843 O GLN A 68 9.028 9.862 -15.982 1.00 0.00 O ATOM 844 CB GLN A 68 8.675 9.988 -13.143 1.00 0.00 C ATOM 845 CG GLN A 68 7.163 9.710 -13.106 1.00 0.00 C ATOM 846 CD GLN A 68 6.385 10.647 -12.202 1.00 0.00 C ATOM 847 OE1 GLN A 68 5.233 10.956 -12.465 1.00 0.00 O ATOM 848 NE2 GLN A 68 7.002 11.089 -11.127 1.00 0.00 N ATOM 0 H GLN A 68 7.457 12.250 -13.182 1.00 0.00 H new ATOM 0 HA GLN A 68 10.155 11.372 -13.872 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.183 9.107 -13.535 1.00 0.00 H new ATOM 0 HB3 GLN A 68 9.029 10.133 -12.122 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.765 9.785 -14.118 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.001 8.684 -12.775 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.965 10.809 -10.940 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.517 11.711 -10.480 1.00 0.00 H new ATOM 857 N SER A 69 8.256 11.961 -16.152 1.00 0.00 N ATOM 858 CA SER A 69 7.929 11.831 -17.562 1.00 0.00 C ATOM 859 C SER A 69 9.077 12.339 -18.435 1.00 0.00 C ATOM 860 O SER A 69 9.316 11.822 -19.532 1.00 0.00 O ATOM 861 CB SER A 69 6.624 12.591 -17.889 1.00 0.00 C ATOM 862 OG SER A 69 6.226 12.392 -19.239 1.00 0.00 O ATOM 0 H SER A 69 8.047 12.875 -15.751 1.00 0.00 H new ATOM 0 HA SER A 69 7.777 10.774 -17.779 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.830 12.255 -17.222 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.767 13.656 -17.704 1.00 0.00 H new ATOM 0 HG SER A 69 5.397 12.885 -19.412 1.00 0.00 H new ATOM 868 N CYS A 70 9.795 13.339 -17.948 1.00 0.00 N ATOM 869 CA CYS A 70 10.878 13.919 -18.720 1.00 0.00 C ATOM 870 C CYS A 70 12.238 13.797 -18.015 1.00 0.00 C ATOM 871 O CYS A 70 13.286 13.901 -18.661 1.00 0.00 O ATOM 872 CB CYS A 70 10.558 15.371 -19.046 1.00 0.00 C ATOM 873 SG CYS A 70 10.229 16.393 -17.600 1.00 0.00 S ATOM 0 H CYS A 70 9.648 13.761 -17.031 1.00 0.00 H new ATOM 0 HA CYS A 70 10.964 13.352 -19.647 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.393 15.801 -19.599 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.690 15.402 -19.705 1.00 0.00 H new ATOM 878 N SER A 71 12.224 13.582 -16.697 1.00 0.00 N ATOM 879 CA SER A 71 13.470 13.406 -15.942 1.00 0.00 C ATOM 880 C SER A 71 14.142 12.071 -16.299 1.00 0.00 C ATOM 881 O SER A 71 13.601 11.290 -17.082 1.00 0.00 O ATOM 882 CB SER A 71 13.193 13.484 -14.444 1.00 0.00 C ATOM 883 OG SER A 71 12.602 14.731 -14.110 1.00 0.00 O ATOM 0 H SER A 71 11.375 13.526 -16.135 1.00 0.00 H new ATOM 0 HA SER A 71 14.154 14.210 -16.213 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.531 12.671 -14.148 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.123 13.356 -13.889 1.00 0.00 H new ATOM 0 HG SER A 71 11.641 14.608 -13.960 1.00 0.00 H new ATOM 889 N THR A 72 15.310 11.805 -15.724 1.00 0.00 N ATOM 890 CA THR A 72 16.027 10.592 -16.040 1.00 0.00 C ATOM 891 C THR A 72 15.653 9.500 -15.057 1.00 0.00 C ATOM 892 O THR A 72 15.021 9.774 -14.034 1.00 0.00 O ATOM 893 CB THR A 72 17.560 10.829 -16.025 1.00 0.00 C ATOM 894 OG1 THR A 72 18.265 9.642 -16.417 1.00 0.00 O ATOM 895 CG2 THR A 72 18.024 11.260 -14.647 1.00 0.00 C ATOM 0 H THR A 72 15.770 12.411 -15.045 1.00 0.00 H new ATOM 0 HA THR A 72 15.746 10.279 -17.046 1.00 0.00 H new ATOM 0 HB THR A 72 17.778 11.623 -16.739 1.00 0.00 H new ATOM 0 HG1 THR A 72 19.230 9.814 -16.402 1.00 0.00 H new ATOM 0 HG21 THR A 72 19.102 11.421 -14.660 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.522 12.186 -14.367 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.781 10.483 -13.922 1.00 0.00 H new ATOM 903 N ALA A 73 16.026 8.272 -15.373 1.00 0.00 N ATOM 904 CA ALA A 73 15.738 7.146 -14.515 1.00 0.00 C ATOM 905 C ALA A 73 16.394 7.329 -13.169 1.00 0.00 C ATOM 906 O ALA A 73 17.619 7.390 -13.062 1.00 0.00 O ATOM 907 CB ALA A 73 16.198 5.852 -15.158 1.00 0.00 C ATOM 0 H ALA A 73 16.533 8.033 -16.225 1.00 0.00 H new ATOM 0 HA ALA A 73 14.659 7.091 -14.370 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.972 5.016 -14.496 1.00 0.00 H new ATOM 0 HB2 ALA A 73 15.680 5.713 -16.107 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.273 5.895 -15.334 1.00 0.00 H new ATOM 913 N CYS A 74 15.577 7.453 -12.159 1.00 0.00 N ATOM 914 CA CYS A 74 16.041 7.612 -10.802 1.00 0.00 C ATOM 915 C CYS A 74 16.766 6.363 -10.320 1.00 0.00 C ATOM 916 O CYS A 74 16.828 5.351 -11.027 1.00 0.00 O ATOM 917 CB CYS A 74 14.863 7.922 -9.902 1.00 0.00 C ATOM 918 SG CYS A 74 13.931 9.370 -10.417 1.00 0.00 S ATOM 0 H CYS A 74 14.561 7.447 -12.252 1.00 0.00 H new ATOM 0 HA CYS A 74 16.751 8.439 -10.768 1.00 0.00 H new ATOM 0 HB2 CYS A 74 14.197 7.060 -9.879 1.00 0.00 H new ATOM 0 HB3 CYS A 74 15.223 8.074 -8.884 1.00 0.00 H new ATOM 923 N LYS A 75 17.300 6.424 -9.114 1.00 0.00 N ATOM 924 CA LYS A 75 18.030 5.299 -8.567 1.00 0.00 C ATOM 925 C LYS A 75 17.112 4.304 -7.913 1.00 0.00 C ATOM 926 O LYS A 75 17.542 3.455 -7.127 1.00 0.00 O ATOM 927 CB LYS A 75 19.134 5.755 -7.619 1.00 0.00 C ATOM 928 CG LYS A 75 20.360 6.280 -8.341 1.00 0.00 C ATOM 929 CD LYS A 75 20.936 5.218 -9.269 1.00 0.00 C ATOM 930 CE LYS A 75 22.107 5.749 -10.064 1.00 0.00 C ATOM 931 NZ LYS A 75 22.534 4.783 -11.100 1.00 0.00 N ATOM 0 H LYS A 75 17.242 7.236 -8.499 1.00 0.00 H new ATOM 0 HA LYS A 75 18.511 4.790 -9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 75 18.744 6.535 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.425 4.920 -6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.097 7.168 -8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.114 6.582 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.254 4.356 -8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 75 20.160 4.871 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 75 21.832 6.693 -10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.940 5.958 -9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.339 5.175 -11.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.819 3.891 -10.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 21.745 4.603 -11.753 1.00 0.00 H new ATOM 945 N CYS A 76 15.853 4.388 -8.246 1.00 0.00 N ATOM 946 CA CYS A 76 14.924 3.444 -7.780 1.00 0.00 C ATOM 947 C CYS A 76 14.860 2.283 -8.756 1.00 0.00 C ATOM 948 O CYS A 76 14.444 2.441 -9.897 1.00 0.00 O ATOM 949 CB CYS A 76 13.548 4.081 -7.535 1.00 0.00 C ATOM 950 SG CYS A 76 12.948 5.231 -8.826 1.00 0.00 S ATOM 0 H CYS A 76 15.462 5.115 -8.845 1.00 0.00 H new ATOM 0 HA CYS A 76 15.252 3.062 -6.813 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.816 3.282 -7.421 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.583 4.618 -6.587 1.00 0.00 H new ATOM 955 N ALA A 77 15.335 1.133 -8.299 1.00 0.00 N ATOM 956 CA ALA A 77 15.363 -0.111 -9.086 1.00 0.00 C ATOM 957 C ALA A 77 16.049 -1.193 -8.278 1.00 0.00 C ATOM 958 O ALA A 77 16.941 -0.894 -7.511 1.00 0.00 O ATOM 959 CB ALA A 77 16.110 0.087 -10.405 1.00 0.00 C ATOM 0 H ALA A 77 15.719 1.027 -7.360 1.00 0.00 H new ATOM 0 HA ALA A 77 14.337 -0.400 -9.314 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.114 -0.848 -10.965 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.613 0.859 -10.992 1.00 0.00 H new ATOM 0 HB3 ALA A 77 17.136 0.392 -10.200 1.00 0.00 H new ATOM 965 N ALA A 78 15.606 -2.439 -8.426 1.00 0.00 N ATOM 966 CA ALA A 78 16.215 -3.589 -7.719 1.00 0.00 C ATOM 967 C ALA A 78 16.269 -3.368 -6.201 1.00 0.00 C ATOM 968 O ALA A 78 17.190 -3.836 -5.529 1.00 0.00 O ATOM 969 CB ALA A 78 17.613 -3.865 -8.265 1.00 0.00 C ATOM 0 H ALA A 78 14.824 -2.690 -9.030 1.00 0.00 H new ATOM 0 HA ALA A 78 15.581 -4.457 -7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 78 18.049 -4.713 -7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.549 -4.094 -9.329 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.240 -2.985 -8.120 1.00 0.00 H new ATOM 975 N GLY A 79 15.267 -2.681 -5.670 1.00 0.00 N ATOM 976 CA GLY A 79 15.234 -2.386 -4.247 1.00 0.00 C ATOM 977 C GLY A 79 16.333 -1.424 -3.828 1.00 0.00 C ATOM 978 O GLY A 79 16.716 -1.377 -2.659 1.00 0.00 O ATOM 0 H GLY A 79 14.473 -2.321 -6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.264 -1.960 -3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.334 -3.314 -3.684 1.00 0.00 H new ATOM 982 N SER A 80 16.825 -0.642 -4.776 1.00 0.00 N ATOM 983 CA SER A 80 17.915 0.277 -4.518 1.00 0.00 C ATOM 984 C SER A 80 17.400 1.670 -4.188 1.00 0.00 C ATOM 985 O SER A 80 18.191 2.599 -4.005 1.00 0.00 O ATOM 986 CB SER A 80 18.854 0.338 -5.728 1.00 0.00 C ATOM 987 OG SER A 80 19.979 1.169 -5.473 1.00 0.00 O ATOM 0 H SER A 80 16.482 -0.628 -5.736 1.00 0.00 H new ATOM 0 HA SER A 80 18.466 -0.093 -3.653 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.192 -0.667 -5.978 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.310 0.716 -6.594 1.00 0.00 H new ATOM 0 HG SER A 80 19.719 1.895 -4.868 1.00 0.00 H new ATOM 993 N CYS A 81 16.085 1.827 -4.108 1.00 0.00 N ATOM 994 CA CYS A 81 15.536 3.107 -3.776 1.00 0.00 C ATOM 995 C CYS A 81 15.883 3.416 -2.315 1.00 0.00 C ATOM 996 O CYS A 81 15.534 2.641 -1.420 1.00 0.00 O ATOM 997 CB CYS A 81 14.043 3.111 -3.957 1.00 0.00 C ATOM 998 SG CYS A 81 13.403 4.739 -4.306 1.00 0.00 S ATOM 0 H CYS A 81 15.400 1.089 -4.268 1.00 0.00 H new ATOM 0 HA CYS A 81 15.957 3.865 -4.436 1.00 0.00 H new ATOM 0 HB2 CYS A 81 13.777 2.437 -4.771 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.570 2.723 -3.055 1.00 0.00 H new ATOM 1003 N LYS A 82 16.568 4.512 -2.061 1.00 0.00 N ATOM 1004 CA LYS A 82 17.027 4.793 -0.700 1.00 0.00 C ATOM 1005 C LYS A 82 16.451 6.071 -0.127 1.00 0.00 C ATOM 1006 O LYS A 82 16.811 6.478 0.971 1.00 0.00 O ATOM 1007 CB LYS A 82 18.531 4.860 -0.670 1.00 0.00 C ATOM 1008 CG LYS A 82 19.111 5.984 -1.494 1.00 0.00 C ATOM 1009 CD LYS A 82 20.589 5.826 -1.575 1.00 0.00 C ATOM 1010 CE LYS A 82 21.264 6.939 -2.372 1.00 0.00 C ATOM 1011 NZ LYS A 82 21.315 8.217 -1.622 1.00 0.00 N ATOM 0 H LYS A 82 16.819 5.214 -2.757 1.00 0.00 H new ATOM 0 HA LYS A 82 16.669 3.975 -0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.859 4.974 0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.934 3.913 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.678 5.977 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 82 18.861 6.945 -1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.003 5.806 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.822 4.865 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 82 22.277 6.633 -2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.726 7.091 -3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 20.803 8.951 -2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.872 8.090 -0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.306 8.508 -1.498 1.00 0.00 H new ATOM 1025 N CYS A 83 15.565 6.697 -0.849 1.00 0.00 N ATOM 1026 CA CYS A 83 14.973 7.928 -0.377 1.00 0.00 C ATOM 1027 C CYS A 83 13.862 7.631 0.624 1.00 0.00 C ATOM 1028 O CYS A 83 13.523 8.472 1.459 1.00 0.00 O ATOM 1029 CB CYS A 83 14.441 8.712 -1.546 1.00 0.00 C ATOM 1030 SG CYS A 83 13.320 7.756 -2.551 1.00 0.00 S ATOM 0 H CYS A 83 15.235 6.382 -1.761 1.00 0.00 H new ATOM 0 HA CYS A 83 15.734 8.523 0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.928 9.602 -1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 83 15.274 9.054 -2.160 1.00 0.00 H new ATOM 1035 N GLY A 84 13.286 6.435 0.524 1.00 0.00 N ATOM 1036 CA GLY A 84 12.259 6.037 1.461 1.00 0.00 C ATOM 1037 C GLY A 84 10.923 5.877 0.793 1.00 0.00 C ATOM 1038 O GLY A 84 9.884 5.919 1.443 1.00 0.00 O ATOM 0 H GLY A 84 13.514 5.740 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.543 5.097 1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.182 6.782 2.253 1.00 0.00 H new ATOM 1042 N LYS A 85 10.949 5.708 -0.511 1.00 0.00 N ATOM 1043 CA LYS A 85 9.735 5.549 -1.279 1.00 0.00 C ATOM 1044 C LYS A 85 9.499 4.083 -1.616 1.00 0.00 C ATOM 1045 O LYS A 85 8.381 3.580 -1.492 1.00 0.00 O ATOM 1046 CB LYS A 85 9.810 6.375 -2.559 1.00 0.00 C ATOM 1047 CG LYS A 85 9.991 7.876 -2.349 1.00 0.00 C ATOM 1048 CD LYS A 85 8.810 8.497 -1.622 1.00 0.00 C ATOM 1049 CE LYS A 85 9.059 8.635 -0.126 1.00 0.00 C ATOM 1050 NZ LYS A 85 10.181 9.561 0.169 1.00 0.00 N ATOM 0 H LYS A 85 11.805 5.677 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 85 8.899 5.903 -0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.638 6.006 -3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.898 6.211 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.902 8.055 -1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.119 8.364 -3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.602 9.480 -2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.923 7.885 -1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.153 8.997 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.278 7.654 0.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.044 9.983 1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.078 9.036 0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.207 10.314 -0.548 1.00 0.00 H new ATOM 1064 N GLY A 86 10.564 3.399 -2.028 1.00 0.00 N ATOM 1065 CA GLY A 86 10.459 1.994 -2.380 1.00 0.00 C ATOM 1066 C GLY A 86 9.801 1.787 -3.729 1.00 0.00 C ATOM 1067 O GLY A 86 9.190 0.751 -3.976 1.00 0.00 O ATOM 0 H GLY A 86 11.499 3.794 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.454 1.549 -2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.885 1.472 -1.614 1.00 0.00 H new ATOM 1071 N CYS A 87 9.942 2.769 -4.606 1.00 0.00 N ATOM 1072 CA CYS A 87 9.322 2.714 -5.935 1.00 0.00 C ATOM 1073 C CYS A 87 9.992 1.662 -6.789 1.00 0.00 C ATOM 1074 O CYS A 87 9.332 0.893 -7.485 1.00 0.00 O ATOM 1075 CB CYS A 87 9.454 4.059 -6.618 1.00 0.00 C ATOM 1076 SG CYS A 87 9.190 5.441 -5.524 1.00 0.00 S ATOM 0 H CYS A 87 10.479 3.617 -4.428 1.00 0.00 H new ATOM 0 HA CYS A 87 8.269 2.460 -5.813 1.00 0.00 H new ATOM 0 HB2 CYS A 87 10.448 4.138 -7.057 1.00 0.00 H new ATOM 0 HB3 CYS A 87 8.738 4.113 -7.438 1.00 0.00 H new ATOM 1081 N THR A 88 11.314 1.647 -6.720 1.00 0.00 N ATOM 1082 CA THR A 88 12.152 0.729 -7.478 1.00 0.00 C ATOM 1083 C THR A 88 11.843 0.793 -8.975 1.00 0.00 C ATOM 1084 O THR A 88 11.665 -0.228 -9.635 1.00 0.00 O ATOM 1085 CB THR A 88 12.060 -0.733 -6.962 1.00 0.00 C ATOM 1086 OG1 THR A 88 10.745 -1.272 -7.174 1.00 0.00 O ATOM 1087 CG2 THR A 88 12.382 -0.787 -5.483 1.00 0.00 C ATOM 0 H THR A 88 11.845 2.283 -6.125 1.00 0.00 H new ATOM 0 HA THR A 88 13.179 1.059 -7.324 1.00 0.00 H new ATOM 0 HB THR A 88 12.782 -1.329 -7.520 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.206 -0.630 -7.682 1.00 0.00 H new ATOM 0 HG21 THR A 88 12.314 -1.817 -5.133 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.392 -0.413 -5.317 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.672 -0.170 -4.933 1.00 0.00 H new ATOM 1095 N GLY A 89 11.805 2.003 -9.499 1.00 0.00 N ATOM 1096 CA GLY A 89 11.531 2.185 -10.911 1.00 0.00 C ATOM 1097 C GLY A 89 11.003 3.563 -11.219 1.00 0.00 C ATOM 1098 O GLY A 89 10.237 4.117 -10.433 1.00 0.00 O ATOM 0 H GLY A 89 11.958 2.865 -8.976 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.444 2.012 -11.481 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.806 1.439 -11.237 1.00 0.00 H new ATOM 1102 N PRO A 90 11.357 4.132 -12.391 1.00 0.00 N ATOM 1103 CA PRO A 90 10.961 5.501 -12.761 1.00 0.00 C ATOM 1104 C PRO A 90 9.506 5.574 -13.216 1.00 0.00 C ATOM 1105 O PRO A 90 9.000 6.636 -13.579 1.00 0.00 O ATOM 1106 CB PRO A 90 11.889 5.810 -13.933 1.00 0.00 C ATOM 1107 CG PRO A 90 12.112 4.486 -14.584 1.00 0.00 C ATOM 1108 CD PRO A 90 12.153 3.477 -13.469 1.00 0.00 C ATOM 0 HA PRO A 90 11.039 6.197 -11.926 1.00 0.00 H new ATOM 0 HB2 PRO A 90 11.435 6.521 -14.623 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.827 6.249 -13.593 1.00 0.00 H new ATOM 0 HG2 PRO A 90 11.312 4.258 -15.288 1.00 0.00 H new ATOM 0 HG3 PRO A 90 13.044 4.481 -15.149 1.00 0.00 H new ATOM 0 HD2 PRO A 90 11.716 2.525 -13.771 1.00 0.00 H new ATOM 0 HD3 PRO A 90 13.174 3.272 -13.148 1.00 0.00 H new ATOM 1116 N ASP A 91 8.850 4.437 -13.209 1.00 0.00 N ATOM 1117 CA ASP A 91 7.470 4.344 -13.639 1.00 0.00 C ATOM 1118 C ASP A 91 6.526 4.451 -12.459 1.00 0.00 C ATOM 1119 O ASP A 91 5.365 4.809 -12.616 1.00 0.00 O ATOM 1120 CB ASP A 91 7.230 3.014 -14.352 1.00 0.00 C ATOM 1121 CG ASP A 91 8.134 2.806 -15.543 1.00 0.00 C ATOM 1122 OD1 ASP A 91 7.720 3.132 -16.676 1.00 0.00 O ATOM 1123 OD2 ASP A 91 9.260 2.305 -15.354 1.00 0.00 O ATOM 0 H ASP A 91 9.255 3.551 -12.906 1.00 0.00 H new ATOM 0 HA ASP A 91 7.276 5.170 -14.323 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.378 2.198 -13.645 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.191 2.967 -14.680 1.00 0.00 H new ATOM 1128 N SER A 92 7.025 4.147 -11.280 1.00 0.00 N ATOM 1129 CA SER A 92 6.190 4.131 -10.089 1.00 0.00 C ATOM 1130 C SER A 92 6.776 4.993 -8.980 1.00 0.00 C ATOM 1131 O SER A 92 6.451 4.810 -7.809 1.00 0.00 O ATOM 1132 CB SER A 92 6.030 2.693 -9.601 1.00 0.00 C ATOM 1133 OG SER A 92 5.522 1.863 -10.640 1.00 0.00 O ATOM 0 H SER A 92 8.003 3.907 -11.116 1.00 0.00 H new ATOM 0 HA SER A 92 5.217 4.546 -10.350 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.992 2.310 -9.260 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.355 2.667 -8.745 1.00 0.00 H new ATOM 0 HG SER A 92 5.428 0.945 -10.309 1.00 0.00 H new ATOM 1139 N CYS A 93 7.608 5.942 -9.343 1.00 0.00 N ATOM 1140 CA CYS A 93 8.240 6.785 -8.359 1.00 0.00 C ATOM 1141 C CYS A 93 7.494 8.089 -8.206 1.00 0.00 C ATOM 1142 O CYS A 93 6.874 8.591 -9.152 1.00 0.00 O ATOM 1143 CB CYS A 93 9.688 7.054 -8.729 1.00 0.00 C ATOM 1144 SG CYS A 93 9.887 7.977 -10.257 1.00 0.00 S ATOM 0 H CYS A 93 7.861 6.148 -10.309 1.00 0.00 H new ATOM 0 HA CYS A 93 8.216 6.258 -7.405 1.00 0.00 H new ATOM 0 HB2 CYS A 93 10.164 7.605 -7.918 1.00 0.00 H new ATOM 0 HB3 CYS A 93 10.213 6.103 -8.819 1.00 0.00 H new ATOM 1149 N LYS A 94 7.525 8.617 -7.008 1.00 0.00 N ATOM 1150 CA LYS A 94 6.894 9.887 -6.708 1.00 0.00 C ATOM 1151 C LYS A 94 7.925 10.867 -6.171 1.00 0.00 C ATOM 1152 O LYS A 94 7.599 11.789 -5.424 1.00 0.00 O ATOM 1153 CB LYS A 94 5.753 9.703 -5.699 1.00 0.00 C ATOM 1154 CG LYS A 94 4.588 8.864 -6.225 1.00 0.00 C ATOM 1155 CD LYS A 94 4.841 7.362 -6.120 1.00 0.00 C ATOM 1156 CE LYS A 94 5.042 6.900 -4.678 1.00 0.00 C ATOM 1157 NZ LYS A 94 3.813 7.051 -3.856 1.00 0.00 N ATOM 0 H LYS A 94 7.987 8.182 -6.210 1.00 0.00 H new ATOM 0 HA LYS A 94 6.471 10.289 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.149 9.232 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.378 10.684 -5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.686 9.115 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.401 9.124 -7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.999 6.824 -6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.723 7.104 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.352 5.855 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.851 7.474 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.981 6.662 -2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.569 8.059 -3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.029 6.538 -4.307 1.00 0.00 H new ATOM 1171 N CYS A 95 9.165 10.664 -6.569 1.00 0.00 N ATOM 1172 CA CYS A 95 10.260 11.506 -6.136 1.00 0.00 C ATOM 1173 C CYS A 95 10.791 12.365 -7.289 1.00 0.00 C ATOM 1174 O CYS A 95 10.448 12.142 -8.454 1.00 0.00 O ATOM 1175 CB CYS A 95 11.376 10.648 -5.521 1.00 0.00 C ATOM 1176 SG CYS A 95 11.795 9.150 -6.459 1.00 0.00 S ATOM 0 H CYS A 95 9.441 9.912 -7.201 1.00 0.00 H new ATOM 0 HA CYS A 95 9.888 12.187 -5.371 1.00 0.00 H new ATOM 0 HB2 CYS A 95 12.273 11.260 -5.423 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.077 10.357 -4.514 1.00 0.00 H new ATOM 1181 N ASP A 96 11.594 13.370 -6.952 1.00 0.00 N ATOM 1182 CA ASP A 96 12.184 14.259 -7.947 1.00 0.00 C ATOM 1183 C ASP A 96 13.612 13.835 -8.287 1.00 0.00 C ATOM 1184 O ASP A 96 14.168 12.935 -7.670 1.00 0.00 O ATOM 1185 CB ASP A 96 12.167 15.717 -7.455 1.00 0.00 C ATOM 1186 CG ASP A 96 12.872 15.913 -6.130 1.00 0.00 C ATOM 1187 OD1 ASP A 96 12.273 15.601 -5.073 1.00 0.00 O ATOM 1188 OD2 ASP A 96 14.016 16.394 -6.137 1.00 0.00 O ATOM 0 H ASP A 96 11.852 13.590 -5.990 1.00 0.00 H new ATOM 0 HA ASP A 96 11.581 14.189 -8.852 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.638 16.351 -8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.133 16.049 -7.360 1.00 0.00 H new ATOM 1193 N ARG A 97 14.211 14.506 -9.260 1.00 0.00 N ATOM 1194 CA ARG A 97 15.576 14.171 -9.694 1.00 0.00 C ATOM 1195 C ARG A 97 16.629 14.889 -8.868 1.00 0.00 C ATOM 1196 O ARG A 97 17.814 14.868 -9.195 1.00 0.00 O ATOM 1197 CB ARG A 97 15.778 14.472 -11.159 1.00 0.00 C ATOM 1198 CG ARG A 97 15.435 15.877 -11.527 1.00 0.00 C ATOM 1199 CD ARG A 97 15.706 16.144 -12.975 1.00 0.00 C ATOM 1200 NE ARG A 97 17.122 16.337 -13.289 1.00 0.00 N ATOM 1201 CZ ARG A 97 17.593 16.439 -14.541 1.00 0.00 C ATOM 1202 NH1 ARG A 97 16.767 16.333 -15.579 1.00 0.00 N ATOM 1203 NH2 ARG A 97 18.876 16.673 -14.750 1.00 0.00 N ATOM 0 H ARG A 97 13.784 15.282 -9.766 1.00 0.00 H new ATOM 0 HA ARG A 97 15.696 13.099 -9.537 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.818 14.279 -11.422 1.00 0.00 H new ATOM 0 HB3 ARG A 97 15.167 13.790 -11.750 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.383 16.065 -11.311 1.00 0.00 H new ATOM 0 HG3 ARG A 97 16.014 16.567 -10.914 1.00 0.00 H new ATOM 0 HD2 ARG A 97 15.324 15.311 -13.565 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.152 17.032 -13.280 1.00 0.00 H new ATOM 0 HE ARG A 97 17.785 16.397 -12.516 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.771 16.174 -15.424 1.00 0.00 H new ATOM 0 HH12 ARG A 97 17.129 16.411 -16.529 1.00 0.00 H new ATOM 0 HH21 ARG A 97 19.511 16.777 -13.959 1.00 0.00 H new ATOM 0 HH22 ARG A 97 19.232 16.750 -15.703 1.00 0.00 H new ATOM 1217 N SER A 98 16.199 15.518 -7.822 1.00 0.00 N ATOM 1218 CA SER A 98 17.090 16.151 -6.896 1.00 0.00 C ATOM 1219 C SER A 98 16.815 15.547 -5.534 1.00 0.00 C ATOM 1220 O SER A 98 17.126 16.121 -4.485 1.00 0.00 O ATOM 1221 CB SER A 98 16.862 17.667 -6.902 1.00 0.00 C ATOM 1222 OG SER A 98 17.758 18.335 -6.026 1.00 0.00 O ATOM 0 H SER A 98 15.212 15.609 -7.582 1.00 0.00 H new ATOM 0 HA SER A 98 18.133 15.989 -7.168 1.00 0.00 H new ATOM 0 HB2 SER A 98 16.989 18.050 -7.914 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.835 17.882 -6.606 1.00 0.00 H new ATOM 0 HG SER A 98 17.866 17.810 -5.206 1.00 0.00 H new ATOM 1228 N CYS A 99 16.240 14.349 -5.580 1.00 0.00 N ATOM 1229 CA CYS A 99 15.823 13.633 -4.408 1.00 0.00 C ATOM 1230 C CYS A 99 17.014 13.003 -3.697 1.00 0.00 C ATOM 1231 O CYS A 99 18.155 13.117 -4.150 1.00 0.00 O ATOM 1232 CB CYS A 99 14.817 12.559 -4.811 1.00 0.00 C ATOM 1233 SG CYS A 99 13.867 11.872 -3.454 1.00 0.00 S ATOM 0 H CYS A 99 16.054 13.853 -6.451 1.00 0.00 H new ATOM 0 HA CYS A 99 15.356 14.332 -3.714 1.00 0.00 H new ATOM 0 HB2 CYS A 99 14.127 12.983 -5.541 1.00 0.00 H new ATOM 0 HB3 CYS A 99 15.351 11.750 -5.309 1.00 0.00 H new ATOM 1238 N SER A 100 16.733 12.316 -2.604 1.00 0.00 N ATOM 1239 CA SER A 100 17.752 11.689 -1.788 1.00 0.00 C ATOM 1240 C SER A 100 18.449 10.537 -2.527 1.00 0.00 C ATOM 1241 O SER A 100 19.499 10.076 -2.104 1.00 0.00 O ATOM 1242 CB SER A 100 17.128 11.191 -0.488 1.00 0.00 C ATOM 1243 OG SER A 100 16.383 12.226 0.145 1.00 0.00 O ATOM 0 H SER A 100 15.784 12.178 -2.257 1.00 0.00 H new ATOM 0 HA SER A 100 18.515 12.435 -1.565 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.476 10.342 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.910 10.837 0.184 1.00 0.00 H new ATOM 0 HG SER A 100 15.990 11.885 0.976 1.00 0.00 H new ATOM 1249 N CYS A 101 17.849 10.056 -3.607 1.00 0.00 N ATOM 1250 CA CYS A 101 18.470 8.999 -4.396 1.00 0.00 C ATOM 1251 C CYS A 101 19.113 9.571 -5.668 1.00 0.00 C ATOM 1252 O CYS A 101 20.133 9.066 -6.138 1.00 0.00 O ATOM 1253 CB CYS A 101 17.453 7.923 -4.747 1.00 0.00 C ATOM 1254 SG CYS A 101 16.071 8.522 -5.722 1.00 0.00 S ATOM 0 H CYS A 101 16.945 10.375 -3.954 1.00 0.00 H new ATOM 0 HA CYS A 101 19.256 8.545 -3.793 1.00 0.00 H new ATOM 0 HB2 CYS A 101 17.955 7.127 -5.297 1.00 0.00 H new ATOM 0 HB3 CYS A 101 17.072 7.482 -3.826 1.00 0.00 H new ATOM 1259 N LYS A 102 18.509 10.626 -6.212 1.00 0.00 N ATOM 1260 CA LYS A 102 19.043 11.301 -7.399 1.00 0.00 C ATOM 1261 C LYS A 102 20.056 12.373 -6.999 1.00 0.00 C ATOM 1262 O LYS A 102 21.243 12.011 -6.799 1.00 0.00 O ATOM 1263 CB LYS A 102 17.912 11.938 -8.220 1.00 0.00 C ATOM 1264 CG LYS A 102 17.148 10.978 -9.132 1.00 0.00 C ATOM 1265 CD LYS A 102 17.659 11.027 -10.595 1.00 0.00 C ATOM 1266 CE LYS A 102 19.119 10.615 -10.699 1.00 0.00 C ATOM 1267 NZ LYS A 102 19.602 10.553 -12.098 1.00 0.00 N ATOM 0 H LYS A 102 17.647 11.035 -5.850 1.00 0.00 H new ATOM 0 HA LYS A 102 19.543 10.552 -8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.204 12.402 -7.534 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.334 12.736 -8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.245 9.962 -8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.087 11.227 -9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.051 10.368 -11.214 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.538 12.036 -10.989 1.00 0.00 H new ATOM 0 HE2 LYS A 102 19.732 11.322 -10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 102 19.250 9.639 -10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 20.622 10.351 -12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 19.096 9.800 -12.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.427 11.465 -12.566 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 12.200 8.010 -9.072 1.00 0.00 CD HETATM 1283 CD CD A 202 11.837 6.098 -6.184 1.00 0.00 CD HETATM 1284 CD CD A 203 13.713 9.304 -4.549 1.00 0.00 CD HETATM 1285 CD CD A 204 7.523 16.852 -17.070 1.00 0.00 CD HETATM 1286 CD CD A 205 9.517 19.762 -14.754 1.00 0.00 CD HETATM 1287 CD CD A 206 11.244 18.789 -18.398 1.00 0.00 CD HETATM 1288 CD CD A 207 9.733 25.796 4.313 1.00 0.00 CD HETATM 1289 CD CD A 208 6.878 26.889 2.014 1.00 0.00 CD HETATM 1290 CD CD A 209 8.718 23.251 1.178 1.00 0.00 CD