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= -0.163 USER MOD Set 1.2: A 47 THR OG1 : rot 176:sc= 0.0408 USER MOD Set 1.3: A 60 ASN : amide:sc= 0.0417 K(o=-0.08,f=-0.71) USER MOD Set 2.1: A 1 GLY N :NH3+ -172:sc= -0.112 (180deg=-0.195) USER MOD Set 2.2: A 5 SER OG : rot -160:sc= 0 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 4 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -170:sc= -0.0293 USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0277) USER MOD Single : A 17 GLN : amide:sc= -0.427 K(o=-0.43,f=-1.7) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.164 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= -0.555 X(o=-0.56,f=-0.78) USER MOD Single : A 30 THR OG1 : rot 129:sc= 1.3 USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= -1.53! (180deg=-2.35!) USER MOD Single : A 36 GLN : amide:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : A 37 SER OG : rot 100:sc= 0.0423 USER MOD Single : A 39 LYS NZ :NH3+ -133:sc= 1.12 (180deg=0.183) 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= -0.0982 K(o=-0.098,f=-1) 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 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.898 F(o=-2.2!,f=-0.9) USER MOD Single : A 69 SER OG : rot 93:sc= 0.169 USER MOD Single : A 71 SER OG : rot -142:sc= -0.829! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 88:sc= 0.711 USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= -0.0187 (180deg=-0.147) USER MOD Single : A 85 LYS NZ :NH3+ 151:sc= -0.0663 (180deg=-0.445) USER MOD Single : A 88 THR OG1 : rot 5:sc= 0.966 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 144:sc= 1.52 (180deg=0.492) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.063 26.916 8.959 1.00 0.00 N ATOM 2 CA GLY A 1 22.432 26.984 9.544 1.00 0.00 C ATOM 3 C GLY A 1 23.347 25.927 8.965 1.00 0.00 C ATOM 4 O GLY A 1 24.569 25.973 9.140 1.00 0.00 O ATOM 0 H1 GLY A 1 20.508 27.736 9.278 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.128 26.925 7.921 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.596 26.040 9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.856 27.971 9.361 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.371 26.859 10.625 1.00 0.00 H new ATOM 7 N SER A 2 22.754 24.977 8.275 1.00 0.00 N ATOM 8 CA SER A 2 23.488 23.904 7.655 1.00 0.00 C ATOM 9 C SER A 2 22.810 23.536 6.341 1.00 0.00 C ATOM 10 O SER A 2 21.673 23.942 6.095 1.00 0.00 O ATOM 11 CB SER A 2 23.541 22.691 8.600 1.00 0.00 C ATOM 12 OG SER A 2 24.390 21.672 8.093 1.00 0.00 O ATOM 0 H SER A 2 21.745 24.930 8.130 1.00 0.00 H new ATOM 0 HA SER A 2 24.511 24.221 7.452 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.897 23.008 9.580 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.536 22.293 8.739 1.00 0.00 H new ATOM 0 HG SER A 2 24.403 20.917 8.717 1.00 0.00 H new ATOM 18 N MET A 3 23.492 22.764 5.506 1.00 0.00 N ATOM 19 CA MET A 3 22.935 22.356 4.216 1.00 0.00 C ATOM 20 C MET A 3 21.825 21.327 4.400 1.00 0.00 C ATOM 21 O MET A 3 21.130 20.964 3.451 1.00 0.00 O ATOM 22 CB MET A 3 24.027 21.801 3.298 1.00 0.00 C ATOM 23 CG MET A 3 25.085 22.821 2.911 1.00 0.00 C ATOM 24 SD MET A 3 26.326 22.145 1.791 1.00 0.00 S ATOM 25 CE MET A 3 27.389 23.571 1.566 1.00 0.00 C ATOM 0 H MET A 3 24.429 22.407 5.694 1.00 0.00 H new ATOM 0 HA MET A 3 22.508 23.242 3.746 1.00 0.00 H new ATOM 0 HB2 MET A 3 24.512 20.960 3.794 1.00 0.00 H new ATOM 0 HB3 MET A 3 23.563 21.412 2.392 1.00 0.00 H new ATOM 0 HG2 MET A 3 24.603 23.677 2.439 1.00 0.00 H new ATOM 0 HG3 MET A 3 25.576 23.189 3.812 1.00 0.00 H new ATOM 0 HE1 MET A 3 28.208 23.312 0.895 1.00 0.00 H new ATOM 0 HE2 MET A 3 26.813 24.390 1.136 1.00 0.00 H new ATOM 0 HE3 MET A 3 27.793 23.879 2.530 1.00 0.00 H new ATOM 35 N SER A 4 21.670 20.859 5.626 1.00 0.00 N ATOM 36 CA SER A 4 20.628 19.916 5.960 1.00 0.00 C ATOM 37 C SER A 4 19.344 20.656 6.340 1.00 0.00 C ATOM 38 O SER A 4 18.265 20.064 6.416 1.00 0.00 O ATOM 39 CB SER A 4 21.091 19.029 7.114 1.00 0.00 C ATOM 40 OG SER A 4 21.573 19.818 8.194 1.00 0.00 O ATOM 0 H SER A 4 22.263 21.124 6.413 1.00 0.00 H new ATOM 0 HA SER A 4 20.420 19.291 5.091 1.00 0.00 H new ATOM 0 HB2 SER A 4 20.264 18.405 7.454 1.00 0.00 H new ATOM 0 HB3 SER A 4 21.877 18.357 6.770 1.00 0.00 H new ATOM 0 HG SER A 4 21.863 19.232 8.924 1.00 0.00 H new ATOM 46 N SER A 5 19.466 21.958 6.568 1.00 0.00 N ATOM 47 CA SER A 5 18.332 22.766 6.954 1.00 0.00 C ATOM 48 C SER A 5 17.543 23.211 5.732 1.00 0.00 C ATOM 49 O SER A 5 17.707 24.324 5.234 1.00 0.00 O ATOM 50 CB SER A 5 18.784 23.975 7.782 1.00 0.00 C ATOM 51 OG SER A 5 19.581 23.566 8.890 1.00 0.00 O ATOM 0 H SER A 5 20.344 22.471 6.490 1.00 0.00 H new ATOM 0 HA SER A 5 17.676 22.156 7.575 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.353 24.659 7.153 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.912 24.522 8.139 1.00 0.00 H new ATOM 0 HG SER A 5 19.593 24.277 9.564 1.00 0.00 H new ATOM 57 N VAL A 6 16.713 22.314 5.235 1.00 0.00 N ATOM 58 CA VAL A 6 15.867 22.601 4.094 1.00 0.00 C ATOM 59 C VAL A 6 14.584 23.283 4.564 1.00 0.00 C ATOM 60 O VAL A 6 13.876 23.924 3.798 1.00 0.00 O ATOM 61 CB VAL A 6 15.532 21.299 3.320 1.00 0.00 C ATOM 62 CG1 VAL A 6 14.645 20.372 4.145 1.00 0.00 C ATOM 63 CG2 VAL A 6 14.904 21.606 1.967 1.00 0.00 C ATOM 0 H VAL A 6 16.607 21.371 5.609 1.00 0.00 H new ATOM 0 HA VAL A 6 16.402 23.270 3.419 1.00 0.00 H new ATOM 0 HB VAL A 6 16.471 20.776 3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.430 19.470 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.159 20.102 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 6 13.711 20.881 4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.681 20.673 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.982 22.169 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 6 15.599 22.196 1.369 1.00 0.00 H new ATOM 73 N PHE A 7 14.320 23.149 5.842 1.00 0.00 N ATOM 74 CA PHE A 7 13.153 23.729 6.464 1.00 0.00 C ATOM 75 C PHE A 7 13.462 25.136 6.958 1.00 0.00 C ATOM 76 O PHE A 7 14.623 25.556 6.994 1.00 0.00 O ATOM 77 CB PHE A 7 12.697 22.845 7.631 1.00 0.00 C ATOM 78 CG PHE A 7 13.835 22.400 8.508 1.00 0.00 C ATOM 79 CD1 PHE A 7 14.302 23.209 9.529 1.00 0.00 C ATOM 80 CD2 PHE A 7 14.451 21.177 8.294 1.00 0.00 C ATOM 81 CE1 PHE A 7 15.358 22.807 10.319 1.00 0.00 C ATOM 82 CE2 PHE A 7 15.503 20.770 9.082 1.00 0.00 C ATOM 83 CZ PHE A 7 15.960 21.586 10.094 1.00 0.00 C ATOM 0 H PHE A 7 14.916 22.629 6.486 1.00 0.00 H new ATOM 0 HA PHE A 7 12.351 23.790 5.728 1.00 0.00 H new ATOM 0 HB2 PHE A 7 11.973 23.393 8.234 1.00 0.00 H new ATOM 0 HB3 PHE A 7 12.184 21.968 7.237 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.834 24.166 9.709 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.101 20.535 7.499 1.00 0.00 H new ATOM 0 HE1 PHE A 7 15.714 23.447 11.113 1.00 0.00 H new ATOM 0 HE2 PHE A 7 15.970 19.812 8.908 1.00 0.00 H new ATOM 0 HZ PHE A 7 16.789 21.270 10.710 1.00 0.00 H new ATOM 93 N GLY A 8 12.431 25.851 7.334 1.00 0.00 N ATOM 94 CA GLY A 8 12.604 27.186 7.834 1.00 0.00 C ATOM 95 C GLY A 8 12.518 27.250 9.337 1.00 0.00 C ATOM 96 O GLY A 8 13.273 26.577 10.038 1.00 0.00 O ATOM 0 H GLY A 8 11.464 25.528 7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.572 27.570 7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.843 27.835 7.401 1.00 0.00 H new ATOM 100 N ALA A 9 11.588 28.044 9.835 1.00 0.00 N ATOM 101 CA ALA A 9 11.418 28.213 11.267 1.00 0.00 C ATOM 102 C ALA A 9 9.999 27.878 11.678 1.00 0.00 C ATOM 103 O ALA A 9 9.631 28.011 12.846 1.00 0.00 O ATOM 104 CB ALA A 9 11.765 29.635 11.677 1.00 0.00 C ATOM 0 H ALA A 9 10.936 28.584 9.266 1.00 0.00 H new ATOM 0 HA ALA A 9 12.095 27.528 11.777 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.633 29.746 12.753 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.802 29.846 11.415 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.110 30.334 11.157 1.00 0.00 H new ATOM 110 N GLY A 10 9.211 27.430 10.724 1.00 0.00 N ATOM 111 CA GLY A 10 7.837 27.100 10.999 1.00 0.00 C ATOM 112 C GLY A 10 7.165 26.469 9.810 1.00 0.00 C ATOM 113 O GLY A 10 6.167 26.983 9.308 1.00 0.00 O ATOM 0 H GLY A 10 9.501 27.288 9.756 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.790 26.418 11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.297 28.002 11.285 1.00 0.00 H new ATOM 117 N CYS A 11 7.720 25.371 9.342 1.00 0.00 N ATOM 118 CA CYS A 11 7.160 24.672 8.204 1.00 0.00 C ATOM 119 C CYS A 11 6.011 23.779 8.640 1.00 0.00 C ATOM 120 O CYS A 11 6.032 23.221 9.739 1.00 0.00 O ATOM 121 CB CYS A 11 8.228 23.835 7.533 1.00 0.00 C ATOM 122 SG CYS A 11 9.714 24.757 7.114 1.00 0.00 S ATOM 0 H CYS A 11 8.559 24.943 9.732 1.00 0.00 H new ATOM 0 HA CYS A 11 6.783 25.411 7.497 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.497 23.010 8.192 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.815 23.396 6.625 1.00 0.00 H new ATOM 127 N THR A 12 5.022 23.641 7.785 1.00 0.00 N ATOM 128 CA THR A 12 3.872 22.816 8.084 1.00 0.00 C ATOM 129 C THR A 12 4.168 21.345 7.808 1.00 0.00 C ATOM 130 O THR A 12 5.227 21.003 7.264 1.00 0.00 O ATOM 131 CB THR A 12 2.664 23.240 7.233 1.00 0.00 C ATOM 132 OG1 THR A 12 2.989 23.109 5.838 1.00 0.00 O ATOM 133 CG2 THR A 12 2.275 24.674 7.529 1.00 0.00 C ATOM 0 H THR A 12 4.991 24.093 6.871 1.00 0.00 H new ATOM 0 HA THR A 12 3.644 22.949 9.142 1.00 0.00 H new ATOM 0 HB THR A 12 1.822 22.593 7.479 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.285 23.524 5.298 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.418 24.953 6.916 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.013 24.770 8.583 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.113 25.333 7.302 1.00 0.00 H new ATOM 141 N ASP A 13 3.234 20.473 8.175 1.00 0.00 N ATOM 142 CA ASP A 13 3.378 19.053 7.885 1.00 0.00 C ATOM 143 C ASP A 13 3.151 18.821 6.411 1.00 0.00 C ATOM 144 O ASP A 13 3.590 17.820 5.851 1.00 0.00 O ATOM 145 CB ASP A 13 2.406 18.199 8.701 1.00 0.00 C ATOM 146 CG ASP A 13 2.747 18.151 10.173 1.00 0.00 C ATOM 147 OD1 ASP A 13 3.915 17.883 10.513 1.00 0.00 O ATOM 148 OD2 ASP A 13 1.838 18.358 11.001 1.00 0.00 O ATOM 0 H ASP A 13 2.377 20.723 8.669 1.00 0.00 H new ATOM 0 HA ASP A 13 4.388 18.753 8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.397 18.593 8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.401 17.184 8.302 1.00 0.00 H new ATOM 153 N VAL A 14 2.472 19.775 5.782 1.00 0.00 N ATOM 154 CA VAL A 14 2.215 19.734 4.354 1.00 0.00 C ATOM 155 C VAL A 14 3.540 19.857 3.608 1.00 0.00 C ATOM 156 O VAL A 14 3.720 19.303 2.517 1.00 0.00 O ATOM 157 CB VAL A 14 1.277 20.892 3.919 1.00 0.00 C ATOM 158 CG1 VAL A 14 0.849 20.730 2.475 1.00 0.00 C ATOM 159 CG2 VAL A 14 0.059 20.977 4.826 1.00 0.00 C ATOM 0 H VAL A 14 2.087 20.595 6.250 1.00 0.00 H new ATOM 0 HA VAL A 14 1.727 18.789 4.117 1.00 0.00 H new ATOM 0 HB VAL A 14 1.837 21.823 4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.193 21.554 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.729 20.733 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.317 19.786 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.581 21.796 4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.497 20.041 4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.381 21.155 5.852 1.00 0.00 H new ATOM 169 N CYS A 15 4.471 20.562 4.230 1.00 0.00 N ATOM 170 CA CYS A 15 5.788 20.766 3.686 1.00 0.00 C ATOM 171 C CYS A 15 6.635 19.506 3.882 1.00 0.00 C ATOM 172 O CYS A 15 7.506 19.190 3.073 1.00 0.00 O ATOM 173 CB CYS A 15 6.431 21.969 4.384 1.00 0.00 C ATOM 174 SG CYS A 15 8.131 22.304 3.913 1.00 0.00 S ATOM 0 H CYS A 15 4.324 21.010 5.135 1.00 0.00 H new ATOM 0 HA CYS A 15 5.723 20.966 2.616 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.831 22.854 4.174 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.394 21.807 5.461 1.00 0.00 H new ATOM 179 N LYS A 16 6.342 18.763 4.948 1.00 0.00 N ATOM 180 CA LYS A 16 7.081 17.541 5.261 1.00 0.00 C ATOM 181 C LYS A 16 6.550 16.362 4.437 1.00 0.00 C ATOM 182 O LYS A 16 7.040 15.233 4.559 1.00 0.00 O ATOM 183 CB LYS A 16 6.991 17.215 6.765 1.00 0.00 C ATOM 184 CG LYS A 16 7.269 18.400 7.688 1.00 0.00 C ATOM 185 CD LYS A 16 8.715 18.904 7.601 1.00 0.00 C ATOM 186 CE LYS A 16 8.789 20.339 8.070 1.00 0.00 C ATOM 187 NZ LYS A 16 8.412 20.474 9.501 1.00 0.00 N ATOM 0 H LYS A 16 5.598 18.986 5.609 1.00 0.00 H new ATOM 0 HA LYS A 16 8.127 17.707 5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.995 16.828 6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.699 16.418 6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.591 19.215 7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.053 18.111 8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.365 18.278 8.213 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.074 18.829 6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.801 20.717 7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.128 20.955 7.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.604 21.445 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.399 20.266 9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.968 19.805 10.071 1.00 0.00 H new ATOM 201 N GLN A 17 5.536 16.627 3.605 1.00 0.00 N ATOM 202 CA GLN A 17 4.963 15.595 2.731 1.00 0.00 C ATOM 203 C GLN A 17 5.975 15.153 1.680 1.00 0.00 C ATOM 204 O GLN A 17 7.063 15.721 1.560 1.00 0.00 O ATOM 205 CB GLN A 17 3.687 16.085 2.020 1.00 0.00 C ATOM 206 CG GLN A 17 2.434 16.131 2.882 1.00 0.00 C ATOM 207 CD GLN A 17 1.167 16.442 2.070 1.00 0.00 C ATOM 208 OE1 GLN A 17 1.061 16.095 0.897 1.00 0.00 O ATOM 209 NE2 GLN A 17 0.207 17.084 2.709 1.00 0.00 N ATOM 0 H GLN A 17 5.096 17.543 3.518 1.00 0.00 H new ATOM 0 HA GLN A 17 4.703 14.753 3.372 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.873 17.084 1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.496 15.436 1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.311 15.173 3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.559 16.887 3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.336 17.354 3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.664 17.310 2.228 1.00 0.00 H new ATOM 218 N THR A 18 5.610 14.155 0.917 1.00 0.00 N ATOM 219 CA THR A 18 6.465 13.634 -0.128 1.00 0.00 C ATOM 220 C THR A 18 5.610 12.990 -1.222 1.00 0.00 C ATOM 221 O THR A 18 5.073 11.898 -1.036 1.00 0.00 O ATOM 222 CB THR A 18 7.482 12.612 0.424 1.00 0.00 C ATOM 223 OG1 THR A 18 8.212 13.200 1.511 1.00 0.00 O ATOM 224 CG2 THR A 18 8.463 12.184 -0.660 1.00 0.00 C ATOM 0 H THR A 18 4.712 13.678 1.000 1.00 0.00 H new ATOM 0 HA THR A 18 7.030 14.466 -0.548 1.00 0.00 H new ATOM 0 HB THR A 18 6.934 11.735 0.770 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.856 12.550 1.862 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.170 11.464 -0.247 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.917 11.725 -1.484 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.005 13.056 -1.025 1.00 0.00 H new ATOM 232 N PRO A 19 5.462 13.671 -2.377 1.00 0.00 N ATOM 233 CA PRO A 19 6.122 14.944 -2.647 1.00 0.00 C ATOM 234 C PRO A 19 5.528 16.053 -1.813 1.00 0.00 C ATOM 235 O PRO A 19 4.405 15.925 -1.316 1.00 0.00 O ATOM 236 CB PRO A 19 5.844 15.198 -4.144 1.00 0.00 C ATOM 237 CG PRO A 19 5.244 13.930 -4.653 1.00 0.00 C ATOM 238 CD PRO A 19 4.591 13.285 -3.474 1.00 0.00 C ATOM 0 HA PRO A 19 7.185 14.916 -2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.163 16.038 -4.281 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.762 15.441 -4.679 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.518 14.130 -5.441 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.008 13.280 -5.081 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.572 13.644 -3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.534 12.202 -3.584 1.00 0.00 H new ATOM 246 N CYS A 20 6.289 17.117 -1.645 1.00 0.00 N ATOM 247 CA CYS A 20 5.865 18.258 -0.862 1.00 0.00 C ATOM 248 C CYS A 20 4.455 18.676 -1.253 1.00 0.00 C ATOM 249 O CYS A 20 4.197 19.058 -2.399 1.00 0.00 O ATOM 250 CB CYS A 20 6.833 19.395 -1.077 1.00 0.00 C ATOM 251 SG CYS A 20 6.651 20.742 0.080 1.00 0.00 S ATOM 0 H CYS A 20 7.221 17.213 -2.049 1.00 0.00 H new ATOM 0 HA CYS A 20 5.856 17.988 0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.850 19.009 -1.010 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.704 19.780 -2.089 1.00 0.00 H new ATOM 256 N GLY A 21 3.553 18.613 -0.293 1.00 0.00 N ATOM 257 CA GLY A 21 2.172 18.853 -0.562 1.00 0.00 C ATOM 258 C GLY A 21 1.849 20.308 -0.667 1.00 0.00 C ATOM 259 O GLY A 21 0.765 20.668 -1.072 1.00 0.00 O ATOM 0 H GLY A 21 3.766 18.396 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.895 18.356 -1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.569 18.407 0.229 1.00 0.00 H new ATOM 263 N CYS A 22 2.786 21.154 -0.309 1.00 0.00 N ATOM 264 CA CYS A 22 2.581 22.589 -0.411 1.00 0.00 C ATOM 265 C CYS A 22 2.440 23.019 -1.869 1.00 0.00 C ATOM 266 O CYS A 22 1.881 24.071 -2.166 1.00 0.00 O ATOM 267 CB CYS A 22 3.722 23.333 0.247 1.00 0.00 C ATOM 268 SG CYS A 22 3.574 23.523 2.029 1.00 0.00 S ATOM 0 H CYS A 22 3.698 20.879 0.056 1.00 0.00 H new ATOM 0 HA CYS A 22 1.655 22.836 0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.652 22.809 0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.800 24.322 -0.204 1.00 0.00 H new ATOM 273 N ALA A 23 2.931 22.193 -2.775 1.00 0.00 N ATOM 274 CA ALA A 23 2.846 22.486 -4.194 1.00 0.00 C ATOM 275 C ALA A 23 1.600 21.850 -4.796 1.00 0.00 C ATOM 276 O ALA A 23 1.261 22.093 -5.950 1.00 0.00 O ATOM 277 CB ALA A 23 4.089 21.984 -4.906 1.00 0.00 C ATOM 0 H ALA A 23 3.394 21.312 -2.552 1.00 0.00 H new ATOM 0 HA ALA A 23 2.779 23.566 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.015 22.209 -5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.969 22.476 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.177 20.906 -4.768 1.00 0.00 H new ATOM 283 N THR A 24 0.930 21.040 -4.004 1.00 0.00 N ATOM 284 CA THR A 24 -0.236 20.335 -4.439 1.00 0.00 C ATOM 285 C THR A 24 -1.497 20.840 -3.708 1.00 0.00 C ATOM 286 O THR A 24 -2.584 20.922 -4.288 1.00 0.00 O ATOM 287 CB THR A 24 -0.044 18.842 -4.146 1.00 0.00 C ATOM 288 OG1 THR A 24 1.214 18.402 -4.681 1.00 0.00 O ATOM 289 CG2 THR A 24 -1.153 18.034 -4.746 1.00 0.00 C ATOM 0 H THR A 24 1.189 20.857 -3.034 1.00 0.00 H new ATOM 0 HA THR A 24 -0.372 20.504 -5.507 1.00 0.00 H new ATOM 0 HB THR A 24 -0.055 18.699 -3.065 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.335 17.448 -4.491 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.995 16.978 -4.525 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.106 18.354 -4.324 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.167 18.180 -5.826 1.00 0.00 H new ATOM 297 N SER A 25 -1.329 21.187 -2.451 1.00 0.00 N ATOM 298 CA SER A 25 -2.429 21.604 -1.605 1.00 0.00 C ATOM 299 C SER A 25 -2.365 23.109 -1.299 1.00 0.00 C ATOM 300 O SER A 25 -3.398 23.760 -1.129 1.00 0.00 O ATOM 301 CB SER A 25 -2.388 20.795 -0.298 1.00 0.00 C ATOM 302 OG SER A 25 -3.563 20.980 0.475 1.00 0.00 O ATOM 0 H SER A 25 -0.422 21.188 -1.984 1.00 0.00 H new ATOM 0 HA SER A 25 -3.365 21.417 -2.131 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.269 19.737 -0.530 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.518 21.093 0.287 1.00 0.00 H new ATOM 0 HG SER A 25 -3.501 20.449 1.297 1.00 0.00 H new ATOM 308 N GLY A 26 -1.159 23.650 -1.230 1.00 0.00 N ATOM 309 CA GLY A 26 -0.992 25.051 -0.912 1.00 0.00 C ATOM 310 C GLY A 26 0.073 25.260 0.142 1.00 0.00 C ATOM 311 O GLY A 26 0.255 24.413 1.015 1.00 0.00 O ATOM 0 H GLY A 26 -0.290 23.141 -1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.724 25.600 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.939 25.460 -0.559 1.00 0.00 H new ATOM 315 N CYS A 27 0.781 26.367 0.056 1.00 0.00 N ATOM 316 CA CYS A 27 1.845 26.668 1.007 1.00 0.00 C ATOM 317 C CYS A 27 1.314 27.461 2.198 1.00 0.00 C ATOM 318 O CYS A 27 0.357 28.236 2.067 1.00 0.00 O ATOM 319 CB CYS A 27 2.972 27.442 0.325 1.00 0.00 C ATOM 320 SG CYS A 27 4.312 27.927 1.440 1.00 0.00 S ATOM 0 H CYS A 27 0.643 27.078 -0.662 1.00 0.00 H new ATOM 0 HA CYS A 27 2.238 25.720 1.375 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.384 26.831 -0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.556 28.337 -0.137 1.00 0.00 H new ATOM 325 N ASN A 28 1.946 27.277 3.354 1.00 0.00 N ATOM 326 CA ASN A 28 1.531 27.957 4.581 1.00 0.00 C ATOM 327 C ASN A 28 2.752 28.221 5.491 1.00 0.00 C ATOM 328 O ASN A 28 2.615 28.472 6.689 1.00 0.00 O ATOM 329 CB ASN A 28 0.495 27.088 5.311 1.00 0.00 C ATOM 330 CG ASN A 28 -0.139 27.772 6.510 1.00 0.00 C ATOM 331 OD1 ASN A 28 -0.375 28.984 6.504 1.00 0.00 O ATOM 332 ND2 ASN A 28 -0.400 27.006 7.551 1.00 0.00 N ATOM 0 H ASN A 28 2.751 26.661 3.468 1.00 0.00 H new ATOM 0 HA ASN A 28 1.084 28.919 4.329 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.289 26.805 4.608 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.975 26.166 5.641 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.812 27.411 8.392 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.190 26.009 7.516 1.00 0.00 H new ATOM 339 N CYS A 29 3.940 28.178 4.907 1.00 0.00 N ATOM 340 CA CYS A 29 5.180 28.367 5.667 1.00 0.00 C ATOM 341 C CYS A 29 5.570 29.833 5.788 1.00 0.00 C ATOM 342 O CYS A 29 4.915 30.720 5.224 1.00 0.00 O ATOM 343 CB CYS A 29 6.316 27.602 5.014 1.00 0.00 C ATOM 344 SG CYS A 29 6.044 25.837 4.932 1.00 0.00 S ATOM 0 H CYS A 29 4.078 28.014 3.910 1.00 0.00 H new ATOM 0 HA CYS A 29 4.996 27.985 6.671 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.466 27.984 4.004 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.236 27.793 5.567 1.00 0.00 H new ATOM 349 N THR A 30 6.652 30.075 6.523 1.00 0.00 N ATOM 350 CA THR A 30 7.174 31.411 6.715 1.00 0.00 C ATOM 351 C THR A 30 8.267 31.700 5.683 1.00 0.00 C ATOM 352 O THR A 30 8.645 30.819 4.906 1.00 0.00 O ATOM 353 CB THR A 30 7.764 31.579 8.140 1.00 0.00 C ATOM 354 OG1 THR A 30 8.917 30.735 8.303 1.00 0.00 O ATOM 355 CG2 THR A 30 6.732 31.217 9.197 1.00 0.00 C ATOM 0 H THR A 30 7.186 29.347 6.998 1.00 0.00 H new ATOM 0 HA THR A 30 6.350 32.114 6.590 1.00 0.00 H new ATOM 0 HB THR A 30 8.052 32.623 8.263 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.666 31.267 8.645 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.167 31.342 10.188 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.864 31.869 9.097 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.424 30.180 9.064 1.00 0.00 H new ATOM 363 N ASP A 31 8.789 32.921 5.696 1.00 0.00 N ATOM 364 CA ASP A 31 9.844 33.336 4.758 1.00 0.00 C ATOM 365 C ASP A 31 11.151 32.614 5.043 1.00 0.00 C ATOM 366 O ASP A 31 12.067 32.606 4.214 1.00 0.00 O ATOM 367 CB ASP A 31 10.069 34.844 4.840 1.00 0.00 C ATOM 368 CG ASP A 31 8.899 35.642 4.324 1.00 0.00 C ATOM 369 OD1 ASP A 31 7.858 35.708 5.023 1.00 0.00 O ATOM 370 OD2 ASP A 31 9.009 36.213 3.221 1.00 0.00 O ATOM 0 H ASP A 31 8.501 33.651 6.348 1.00 0.00 H new ATOM 0 HA ASP A 31 9.512 33.072 3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.262 35.121 5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.960 35.105 4.269 1.00 0.00 H new ATOM 375 N ASP A 32 11.231 32.007 6.217 1.00 0.00 N ATOM 376 CA ASP A 32 12.422 31.280 6.638 1.00 0.00 C ATOM 377 C ASP A 32 12.542 29.973 5.886 1.00 0.00 C ATOM 378 O ASP A 32 13.595 29.353 5.883 1.00 0.00 O ATOM 379 CB ASP A 32 12.363 30.970 8.137 1.00 0.00 C ATOM 380 CG ASP A 32 12.024 32.169 8.979 1.00 0.00 C ATOM 381 OD1 ASP A 32 12.946 32.781 9.549 1.00 0.00 O ATOM 382 OD2 ASP A 32 10.823 32.502 9.074 1.00 0.00 O ATOM 0 H ASP A 32 10.476 32.003 6.903 1.00 0.00 H new ATOM 0 HA ASP A 32 13.285 31.911 6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.621 30.191 8.311 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.325 30.571 8.457 1.00 0.00 H new ATOM 387 N CYS A 33 11.450 29.551 5.266 1.00 0.00 N ATOM 388 CA CYS A 33 11.416 28.284 4.558 1.00 0.00 C ATOM 389 C CYS A 33 12.421 28.244 3.419 1.00 0.00 C ATOM 390 O CYS A 33 12.365 29.052 2.486 1.00 0.00 O ATOM 391 CB CYS A 33 10.022 27.990 4.034 1.00 0.00 C ATOM 392 SG CYS A 33 9.908 26.439 3.129 1.00 0.00 S ATOM 0 H CYS A 33 10.573 30.071 5.240 1.00 0.00 H new ATOM 0 HA CYS A 33 11.692 27.512 5.276 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.325 27.965 4.872 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.708 28.806 3.383 1.00 0.00 H new ATOM 397 N LYS A 34 13.339 27.305 3.511 1.00 0.00 N ATOM 398 CA LYS A 34 14.358 27.109 2.511 1.00 0.00 C ATOM 399 C LYS A 34 13.949 26.009 1.547 1.00 0.00 C ATOM 400 O LYS A 34 14.763 25.547 0.742 1.00 0.00 O ATOM 401 CB LYS A 34 15.664 26.699 3.195 1.00 0.00 C ATOM 402 CG LYS A 34 16.029 27.561 4.390 1.00 0.00 C ATOM 403 CD LYS A 34 16.227 29.010 3.993 1.00 0.00 C ATOM 404 CE LYS A 34 17.646 29.283 3.520 1.00 0.00 C ATOM 405 NZ LYS A 34 18.064 28.419 2.379 1.00 0.00 N ATOM 0 H LYS A 34 13.396 26.651 4.292 1.00 0.00 H new ATOM 0 HA LYS A 34 14.492 28.040 1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.583 25.661 3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.474 26.743 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.243 27.493 5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.942 27.181 4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.525 29.268 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.998 29.653 4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.728 30.329 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.334 29.132 4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.891 28.840 1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.310 27.472 2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.282 28.341 1.698 1.00 0.00 H new ATOM 419 N CYS A 35 12.697 25.597 1.603 1.00 0.00 N ATOM 420 CA CYS A 35 12.276 24.482 0.808 1.00 0.00 C ATOM 421 C CYS A 35 11.902 24.896 -0.598 1.00 0.00 C ATOM 422 O CYS A 35 10.982 25.681 -0.829 1.00 0.00 O ATOM 423 CB CYS A 35 11.151 23.702 1.466 1.00 0.00 C ATOM 424 SG CYS A 35 10.959 22.037 0.789 1.00 0.00 S ATOM 0 H CYS A 35 11.971 26.016 2.184 1.00 0.00 H new ATOM 0 HA CYS A 35 13.135 23.815 0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 35 11.341 23.633 2.537 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.216 24.249 1.343 1.00 0.00 H new ATOM 429 N GLN A 36 12.638 24.354 -1.523 1.00 0.00 N ATOM 430 CA GLN A 36 12.460 24.594 -2.943 1.00 0.00 C ATOM 431 C GLN A 36 11.247 23.856 -3.486 1.00 0.00 C ATOM 432 O GLN A 36 10.805 24.104 -4.607 1.00 0.00 O ATOM 433 CB GLN A 36 13.701 24.131 -3.657 1.00 0.00 C ATOM 434 CG GLN A 36 14.083 22.709 -3.303 1.00 0.00 C ATOM 435 CD GLN A 36 15.553 22.508 -3.348 1.00 0.00 C ATOM 436 OE1 GLN A 36 16.258 22.717 -2.359 1.00 0.00 O ATOM 437 NE2 GLN A 36 16.036 22.108 -4.491 1.00 0.00 N ATOM 0 H GLN A 36 13.403 23.713 -1.315 1.00 0.00 H new ATOM 0 HA GLN A 36 12.294 25.659 -3.106 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.544 24.204 -4.733 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.527 24.797 -3.410 1.00 0.00 H new ATOM 0 HG2 GLN A 36 13.713 22.470 -2.306 1.00 0.00 H new ATOM 0 HG3 GLN A 36 13.600 22.019 -3.995 1.00 0.00 H new ATOM 0 HE21 GLN A 36 15.411 21.949 -5.281 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.039 21.954 -4.595 1.00 0.00 H new ATOM 446 N SER A 37 10.707 22.968 -2.682 1.00 0.00 N ATOM 447 CA SER A 37 9.593 22.163 -3.094 1.00 0.00 C ATOM 448 C SER A 37 8.307 22.983 -3.133 1.00 0.00 C ATOM 449 O SER A 37 7.537 22.892 -4.093 1.00 0.00 O ATOM 450 CB SER A 37 9.453 20.958 -2.180 1.00 0.00 C ATOM 451 OG SER A 37 10.654 20.196 -2.154 1.00 0.00 O ATOM 0 H SER A 37 11.029 22.788 -1.731 1.00 0.00 H new ATOM 0 HA SER A 37 9.779 21.805 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.206 21.289 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.628 20.332 -2.521 1.00 0.00 H new ATOM 0 HG SER A 37 11.160 20.410 -1.342 1.00 0.00 H new ATOM 457 N CYS A 38 8.073 23.792 -2.105 1.00 0.00 N ATOM 458 CA CYS A 38 6.900 24.641 -2.095 1.00 0.00 C ATOM 459 C CYS A 38 7.171 25.941 -2.824 1.00 0.00 C ATOM 460 O CYS A 38 6.273 26.531 -3.426 1.00 0.00 O ATOM 461 CB CYS A 38 6.386 24.890 -0.676 1.00 0.00 C ATOM 462 SG CYS A 38 7.651 25.140 0.575 1.00 0.00 S ATOM 0 H CYS A 38 8.672 23.874 -1.284 1.00 0.00 H new ATOM 0 HA CYS A 38 6.108 24.114 -2.628 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.738 25.766 -0.692 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.769 24.042 -0.378 1.00 0.00 H new ATOM 467 N LYS A 39 8.412 26.376 -2.785 1.00 0.00 N ATOM 468 CA LYS A 39 8.830 27.564 -3.508 1.00 0.00 C ATOM 469 C LYS A 39 9.367 27.141 -4.865 1.00 0.00 C ATOM 470 O LYS A 39 10.423 27.604 -5.307 1.00 0.00 O ATOM 471 CB LYS A 39 9.912 28.335 -2.722 1.00 0.00 C ATOM 472 CG LYS A 39 9.406 29.054 -1.465 1.00 0.00 C ATOM 473 CD LYS A 39 8.924 28.077 -0.415 1.00 0.00 C ATOM 474 CE LYS A 39 8.344 28.783 0.806 1.00 0.00 C ATOM 475 NZ LYS A 39 7.046 29.435 0.508 1.00 0.00 N ATOM 0 H LYS A 39 9.157 25.922 -2.256 1.00 0.00 H new ATOM 0 HA LYS A 39 7.976 28.229 -3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.697 27.637 -2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.368 29.070 -3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.206 29.668 -1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.593 29.729 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.167 27.424 -0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.753 27.441 -0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.210 28.062 1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.052 29.531 1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.049 30.404 0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.901 29.466 -0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.276 28.894 0.950 1.00 0.00 H new ATOM 489 N TYR A 40 8.623 26.254 -5.521 1.00 0.00 N ATOM 490 CA TYR A 40 9.034 25.694 -6.792 1.00 0.00 C ATOM 491 C TYR A 40 9.173 26.756 -7.868 1.00 0.00 C ATOM 492 O TYR A 40 8.500 27.786 -7.846 1.00 0.00 O ATOM 493 CB TYR A 40 8.095 24.562 -7.244 1.00 0.00 C ATOM 494 CG TYR A 40 6.656 24.968 -7.484 1.00 0.00 C ATOM 495 CD1 TYR A 40 6.214 25.311 -8.756 1.00 0.00 C ATOM 496 CD2 TYR A 40 5.735 24.984 -6.445 1.00 0.00 C ATOM 497 CE1 TYR A 40 4.898 25.658 -8.985 1.00 0.00 C ATOM 498 CE2 TYR A 40 4.418 25.334 -6.665 1.00 0.00 C ATOM 499 CZ TYR A 40 4.006 25.668 -7.937 1.00 0.00 C ATOM 500 OH TYR A 40 2.692 26.006 -8.163 1.00 0.00 O ATOM 0 H TYR A 40 7.724 25.909 -5.183 1.00 0.00 H new ATOM 0 HA TYR A 40 10.023 25.262 -6.638 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.491 24.130 -8.163 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.112 23.776 -6.489 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.912 25.306 -9.580 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.054 24.718 -5.448 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.570 25.920 -9.980 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.715 25.346 -5.845 1.00 0.00 H new ATOM 0 HH TYR A 40 2.194 25.963 -7.320 1.00 0.00 H new ATOM 510 N GLY A 41 10.047 26.479 -8.804 1.00 0.00 N ATOM 511 CA GLY A 41 10.367 27.412 -9.855 1.00 0.00 C ATOM 512 C GLY A 41 11.799 27.225 -10.259 1.00 0.00 C ATOM 513 O GLY A 41 12.168 27.401 -11.416 1.00 0.00 O ATOM 0 H GLY A 41 10.558 25.598 -8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.711 27.253 -10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.203 28.434 -9.513 1.00 0.00 H new ATOM 517 N ALA A 42 12.605 26.830 -9.282 1.00 0.00 N ATOM 518 CA ALA A 42 14.007 26.518 -9.493 1.00 0.00 C ATOM 519 C ALA A 42 14.162 25.021 -9.757 1.00 0.00 C ATOM 520 O ALA A 42 15.227 24.443 -9.568 1.00 0.00 O ATOM 521 CB ALA A 42 14.821 26.929 -8.275 1.00 0.00 C ATOM 0 H ALA A 42 12.299 26.717 -8.315 1.00 0.00 H new ATOM 0 HA ALA A 42 14.375 27.071 -10.357 1.00 0.00 H new ATOM 0 HB1 ALA A 42 15.871 26.691 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.713 28.001 -8.110 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.462 26.390 -7.399 1.00 0.00 H new ATOM 527 N GLY A 43 13.081 24.410 -10.210 1.00 0.00 N ATOM 528 CA GLY A 43 13.087 22.999 -10.494 1.00 0.00 C ATOM 529 C GLY A 43 12.345 22.633 -11.755 1.00 0.00 C ATOM 530 O GLY A 43 12.655 21.631 -12.388 1.00 0.00 O ATOM 0 H GLY A 43 12.191 24.876 -10.387 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.119 22.658 -10.578 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.643 22.466 -9.653 1.00 0.00 H new ATOM 534 N CYS A 44 11.427 23.476 -12.149 1.00 0.00 N ATOM 535 CA CYS A 44 10.533 23.184 -13.267 1.00 0.00 C ATOM 536 C CYS A 44 10.627 24.221 -14.365 1.00 0.00 C ATOM 537 O CYS A 44 11.471 25.117 -14.329 1.00 0.00 O ATOM 538 CB CYS A 44 9.078 23.102 -12.784 1.00 0.00 C ATOM 539 SG CYS A 44 8.608 21.525 -12.051 1.00 0.00 S ATOM 0 H CYS A 44 11.269 24.385 -11.714 1.00 0.00 H new ATOM 0 HA CYS A 44 10.849 22.224 -13.676 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.909 23.891 -12.051 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.419 23.304 -13.628 1.00 0.00 H new ATOM 544 N THR A 45 9.748 24.076 -15.334 1.00 0.00 N ATOM 545 CA THR A 45 9.644 24.970 -16.450 1.00 0.00 C ATOM 546 C THR A 45 8.185 25.025 -16.896 1.00 0.00 C ATOM 547 O THR A 45 7.349 24.245 -16.413 1.00 0.00 O ATOM 548 CB THR A 45 10.530 24.493 -17.627 1.00 0.00 C ATOM 549 OG1 THR A 45 10.462 25.421 -18.716 1.00 0.00 O ATOM 550 CG2 THR A 45 10.089 23.121 -18.110 1.00 0.00 C ATOM 0 H THR A 45 9.073 23.312 -15.361 1.00 0.00 H new ATOM 0 HA THR A 45 9.988 25.959 -16.148 1.00 0.00 H new ATOM 0 HB THR A 45 11.557 24.433 -17.268 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.353 25.528 -19.110 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.725 22.805 -18.937 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.172 22.404 -17.294 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.053 23.169 -18.446 1.00 0.00 H new ATOM 558 N ASP A 46 7.884 25.907 -17.819 1.00 0.00 N ATOM 559 CA ASP A 46 6.517 26.066 -18.315 1.00 0.00 C ATOM 560 C ASP A 46 6.142 24.914 -19.242 1.00 0.00 C ATOM 561 O ASP A 46 4.972 24.702 -19.551 1.00 0.00 O ATOM 562 CB ASP A 46 6.348 27.407 -19.048 1.00 0.00 C ATOM 563 CG ASP A 46 7.108 27.474 -20.360 1.00 0.00 C ATOM 564 OD1 ASP A 46 6.510 27.178 -21.415 1.00 0.00 O ATOM 565 OD2 ASP A 46 8.304 27.832 -20.342 1.00 0.00 O ATOM 0 H ASP A 46 8.564 26.534 -18.250 1.00 0.00 H new ATOM 0 HA ASP A 46 5.849 26.056 -17.454 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.289 27.577 -19.241 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.687 28.214 -18.398 1.00 0.00 H new ATOM 570 N THR A 47 7.138 24.167 -19.662 1.00 0.00 N ATOM 571 CA THR A 47 6.940 23.051 -20.559 1.00 0.00 C ATOM 572 C THR A 47 6.470 21.797 -19.789 1.00 0.00 C ATOM 573 O THR A 47 5.847 20.902 -20.358 1.00 0.00 O ATOM 574 CB THR A 47 8.254 22.738 -21.305 1.00 0.00 C ATOM 575 OG1 THR A 47 8.930 23.967 -21.620 1.00 0.00 O ATOM 576 CG2 THR A 47 7.977 21.989 -22.593 1.00 0.00 C ATOM 0 H THR A 47 8.110 24.316 -19.391 1.00 0.00 H new ATOM 0 HA THR A 47 6.167 23.325 -21.277 1.00 0.00 H new ATOM 0 HB THR A 47 8.876 22.117 -20.660 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.795 23.767 -22.036 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.918 21.779 -23.102 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.470 21.051 -22.367 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.343 22.597 -23.239 1.00 0.00 H new ATOM 584 N CYS A 48 6.737 21.763 -18.493 1.00 0.00 N ATOM 585 CA CYS A 48 6.388 20.601 -17.661 1.00 0.00 C ATOM 586 C CYS A 48 4.944 20.684 -17.172 1.00 0.00 C ATOM 587 O CYS A 48 4.264 19.670 -17.023 1.00 0.00 O ATOM 588 CB CYS A 48 7.350 20.491 -16.461 1.00 0.00 C ATOM 589 SG CYS A 48 6.989 19.127 -15.314 1.00 0.00 S ATOM 0 H CYS A 48 7.194 22.521 -17.986 1.00 0.00 H new ATOM 0 HA CYS A 48 6.486 19.707 -18.277 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.366 20.370 -16.838 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.325 21.429 -15.907 1.00 0.00 H new ATOM 594 N LYS A 49 4.469 21.900 -16.969 1.00 0.00 N ATOM 595 CA LYS A 49 3.126 22.128 -16.435 1.00 0.00 C ATOM 596 C LYS A 49 2.046 21.997 -17.510 1.00 0.00 C ATOM 597 O LYS A 49 0.873 22.279 -17.260 1.00 0.00 O ATOM 598 CB LYS A 49 3.055 23.508 -15.811 1.00 0.00 C ATOM 599 CG LYS A 49 3.272 24.630 -16.811 1.00 0.00 C ATOM 600 CD LYS A 49 3.348 25.973 -16.128 1.00 0.00 C ATOM 601 CE LYS A 49 2.062 26.297 -15.383 1.00 0.00 C ATOM 602 NZ LYS A 49 2.164 27.572 -14.633 1.00 0.00 N ATOM 0 H LYS A 49 4.992 22.753 -17.165 1.00 0.00 H new ATOM 0 HA LYS A 49 2.937 21.362 -15.683 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.082 23.636 -15.337 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.805 23.582 -15.023 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.193 24.451 -17.366 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.458 24.635 -17.536 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.185 25.980 -15.430 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.545 26.748 -16.869 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.237 26.358 -16.093 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.829 25.487 -14.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.268 27.757 -14.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.935 27.505 -13.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.361 28.349 -15.295 1.00 0.00 H new ATOM 616 N GLN A 50 2.439 21.575 -18.696 1.00 0.00 N ATOM 617 CA GLN A 50 1.501 21.416 -19.785 1.00 0.00 C ATOM 618 C GLN A 50 0.680 20.152 -19.599 1.00 0.00 C ATOM 619 O GLN A 50 0.777 19.487 -18.569 1.00 0.00 O ATOM 620 CB GLN A 50 2.239 21.368 -21.103 1.00 0.00 C ATOM 621 CG GLN A 50 3.216 22.498 -21.261 1.00 0.00 C ATOM 622 CD GLN A 50 3.681 22.665 -22.670 1.00 0.00 C ATOM 623 OE1 GLN A 50 3.703 21.716 -23.450 1.00 0.00 O ATOM 624 NE2 GLN A 50 4.102 23.848 -22.992 1.00 0.00 N ATOM 0 H GLN A 50 3.403 21.336 -18.928 1.00 0.00 H new ATOM 0 HA GLN A 50 0.825 22.271 -19.789 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.770 20.420 -21.183 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.518 21.399 -21.920 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.751 23.425 -20.924 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.077 22.321 -20.617 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.064 24.606 -22.310 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.471 24.021 -23.927 1.00 0.00 H new ATOM 633 N THR A 51 -0.113 19.819 -20.581 1.00 0.00 N ATOM 634 CA THR A 51 -0.945 18.642 -20.503 1.00 0.00 C ATOM 635 C THR A 51 -0.831 17.818 -21.788 1.00 0.00 C ATOM 636 O THR A 51 -1.154 18.303 -22.869 1.00 0.00 O ATOM 637 CB THR A 51 -2.421 19.015 -20.259 1.00 0.00 C ATOM 638 OG1 THR A 51 -2.514 19.929 -19.153 1.00 0.00 O ATOM 639 CG2 THR A 51 -3.245 17.773 -19.951 1.00 0.00 C ATOM 0 H THR A 51 -0.203 20.347 -21.449 1.00 0.00 H new ATOM 0 HA THR A 51 -0.594 18.047 -19.660 1.00 0.00 H new ATOM 0 HB THR A 51 -2.811 19.484 -21.162 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.453 20.165 -19.002 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.283 18.058 -19.782 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.191 17.082 -20.793 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.852 17.288 -19.058 1.00 0.00 H new ATOM 647 N PRO A 52 -0.347 16.564 -21.689 1.00 0.00 N ATOM 648 CA PRO A 52 0.091 15.966 -20.420 1.00 0.00 C ATOM 649 C PRO A 52 1.411 16.558 -19.922 1.00 0.00 C ATOM 650 O PRO A 52 1.579 16.797 -18.729 1.00 0.00 O ATOM 651 CB PRO A 52 0.268 14.486 -20.767 1.00 0.00 C ATOM 652 CG PRO A 52 0.545 14.470 -22.228 1.00 0.00 C ATOM 653 CD PRO A 52 -0.224 15.621 -22.812 1.00 0.00 C ATOM 0 HA PRO A 52 -0.623 16.148 -19.617 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.089 14.043 -20.204 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.628 13.913 -20.528 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.612 14.576 -22.423 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.231 13.526 -22.674 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.303 16.068 -23.655 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.201 15.305 -23.178 1.00 0.00 H new ATOM 661 N CYS A 53 2.336 16.779 -20.843 1.00 0.00 N ATOM 662 CA CYS A 53 3.624 17.354 -20.525 1.00 0.00 C ATOM 663 C CYS A 53 4.376 17.658 -21.807 1.00 0.00 C ATOM 664 O CYS A 53 4.417 16.830 -22.717 1.00 0.00 O ATOM 665 CB CYS A 53 4.434 16.382 -19.675 1.00 0.00 C ATOM 666 SG CYS A 53 5.905 17.103 -18.917 1.00 0.00 S ATOM 0 H CYS A 53 2.210 16.563 -21.832 1.00 0.00 H new ATOM 0 HA CYS A 53 3.473 18.277 -19.964 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.793 15.984 -18.889 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.736 15.539 -20.297 1.00 0.00 H new ATOM 671 N GLY A 54 4.951 18.838 -21.894 1.00 0.00 N ATOM 672 CA GLY A 54 5.704 19.192 -23.069 1.00 0.00 C ATOM 673 C GLY A 54 7.135 18.717 -22.979 1.00 0.00 C ATOM 674 O GLY A 54 7.779 18.453 -23.997 1.00 0.00 O ATOM 0 H GLY A 54 4.911 19.558 -21.173 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.231 18.757 -23.949 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.687 20.274 -23.200 1.00 0.00 H new ATOM 678 N CYS A 55 7.633 18.576 -21.752 1.00 0.00 N ATOM 679 CA CYS A 55 8.999 18.147 -21.524 1.00 0.00 C ATOM 680 C CYS A 55 9.203 16.692 -21.931 1.00 0.00 C ATOM 681 O CYS A 55 10.337 16.229 -22.068 1.00 0.00 O ATOM 682 CB CYS A 55 9.391 18.359 -20.070 1.00 0.00 C ATOM 683 SG CYS A 55 9.448 20.089 -19.562 1.00 0.00 S ATOM 0 H CYS A 55 7.102 18.755 -20.900 1.00 0.00 H new ATOM 0 HA CYS A 55 9.648 18.759 -22.151 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.682 17.829 -19.434 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.370 17.910 -19.900 1.00 0.00 H new ATOM 688 N GLY A 56 8.101 15.981 -22.137 1.00 0.00 N ATOM 689 CA GLY A 56 8.176 14.604 -22.582 1.00 0.00 C ATOM 690 C GLY A 56 8.773 14.501 -23.975 1.00 0.00 C ATOM 691 O GLY A 56 9.331 13.470 -24.347 1.00 0.00 O ATOM 0 H GLY A 56 7.154 16.336 -22.003 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.781 14.027 -21.882 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.178 14.165 -22.579 1.00 0.00 H new ATOM 695 N SER A 57 8.657 15.579 -24.741 1.00 0.00 N ATOM 696 CA SER A 57 9.208 15.633 -26.084 1.00 0.00 C ATOM 697 C SER A 57 10.337 16.670 -26.159 1.00 0.00 C ATOM 698 O SER A 57 10.960 16.854 -27.205 1.00 0.00 O ATOM 699 CB SER A 57 8.108 15.977 -27.087 1.00 0.00 C ATOM 700 OG SER A 57 7.026 15.066 -26.982 1.00 0.00 O ATOM 0 H SER A 57 8.182 16.433 -24.449 1.00 0.00 H new ATOM 0 HA SER A 57 9.620 14.655 -26.332 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.753 16.992 -26.910 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.512 15.953 -28.099 1.00 0.00 H new ATOM 0 HG SER A 57 6.332 15.306 -27.632 1.00 0.00 H new ATOM 706 N GLY A 58 10.592 17.323 -25.038 1.00 0.00 N ATOM 707 CA GLY A 58 11.618 18.345 -24.968 1.00 0.00 C ATOM 708 C GLY A 58 11.585 19.047 -23.630 1.00 0.00 C ATOM 709 O GLY A 58 10.749 19.921 -23.404 1.00 0.00 O ATOM 0 H GLY A 58 10.099 17.161 -24.160 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.598 17.894 -25.123 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.471 19.070 -25.768 1.00 0.00 H new ATOM 713 N CYS A 59 12.477 18.652 -22.744 1.00 0.00 N ATOM 714 CA CYS A 59 12.518 19.185 -21.392 1.00 0.00 C ATOM 715 C CYS A 59 13.268 20.515 -21.314 1.00 0.00 C ATOM 716 O CYS A 59 14.224 20.754 -22.064 1.00 0.00 O ATOM 717 CB CYS A 59 13.150 18.154 -20.455 1.00 0.00 C ATOM 718 SG CYS A 59 13.502 18.763 -18.791 1.00 0.00 S ATOM 0 H CYS A 59 13.194 17.953 -22.938 1.00 0.00 H new ATOM 0 HA CYS A 59 11.493 19.385 -21.080 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.483 17.295 -20.379 1.00 0.00 H new ATOM 0 HB3 CYS A 59 14.079 17.799 -20.901 1.00 0.00 H new ATOM 723 N ASN A 60 12.819 21.380 -20.399 1.00 0.00 N ATOM 724 CA ASN A 60 13.438 22.694 -20.184 1.00 0.00 C ATOM 725 C ASN A 60 13.503 23.018 -18.692 1.00 0.00 C ATOM 726 O ASN A 60 13.675 24.175 -18.308 1.00 0.00 O ATOM 727 CB ASN A 60 12.636 23.799 -20.893 1.00 0.00 C ATOM 728 CG ASN A 60 12.635 23.672 -22.399 1.00 0.00 C ATOM 729 OD1 ASN A 60 11.748 23.045 -22.983 1.00 0.00 O ATOM 730 ND2 ASN A 60 13.616 24.271 -23.038 1.00 0.00 N ATOM 0 H ASN A 60 12.022 21.192 -19.790 1.00 0.00 H new ATOM 0 HA ASN A 60 14.446 22.654 -20.597 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.607 23.777 -20.534 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.049 24.770 -20.619 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.663 24.227 -24.056 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.330 24.779 -22.516 1.00 0.00 H new ATOM 737 N CYS A 61 13.372 21.999 -17.855 1.00 0.00 N ATOM 738 CA CYS A 61 13.348 22.195 -16.404 1.00 0.00 C ATOM 739 C CYS A 61 14.701 22.600 -15.829 1.00 0.00 C ATOM 740 O CYS A 61 15.679 22.773 -16.553 1.00 0.00 O ATOM 741 CB CYS A 61 12.827 20.957 -15.696 1.00 0.00 C ATOM 742 SG CYS A 61 11.045 20.797 -15.760 1.00 0.00 S ATOM 0 H CYS A 61 13.280 21.027 -18.151 1.00 0.00 H new ATOM 0 HA CYS A 61 12.666 23.026 -16.225 1.00 0.00 H new ATOM 0 HB2 CYS A 61 13.280 20.073 -16.145 1.00 0.00 H new ATOM 0 HB3 CYS A 61 13.145 20.983 -14.654 1.00 0.00 H new ATOM 747 N LYS A 62 14.744 22.726 -14.514 1.00 0.00 N ATOM 748 CA LYS A 62 15.935 23.183 -13.818 1.00 0.00 C ATOM 749 C LYS A 62 16.729 21.993 -13.257 1.00 0.00 C ATOM 750 O LYS A 62 17.755 21.595 -13.818 1.00 0.00 O ATOM 751 CB LYS A 62 15.527 24.129 -12.680 1.00 0.00 C ATOM 752 CG LYS A 62 14.671 25.339 -13.096 1.00 0.00 C ATOM 753 CD LYS A 62 15.510 26.553 -13.507 1.00 0.00 C ATOM 754 CE LYS A 62 16.194 26.336 -14.845 1.00 0.00 C ATOM 755 NZ LYS A 62 16.888 27.554 -15.323 1.00 0.00 N ATOM 0 H LYS A 62 13.957 22.515 -13.900 1.00 0.00 H new ATOM 0 HA LYS A 62 16.574 23.714 -14.523 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.976 23.556 -11.935 1.00 0.00 H new ATOM 0 HB3 LYS A 62 16.431 24.496 -12.195 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.026 25.052 -13.926 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.020 25.618 -12.268 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.871 27.434 -13.564 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.261 26.752 -12.742 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.913 25.522 -14.756 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.454 26.028 -15.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.340 27.359 -16.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.199 28.325 -15.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.613 27.834 -14.632 1.00 0.00 H new ATOM 769 N GLU A 63 16.232 21.422 -12.158 1.00 0.00 N ATOM 770 CA GLU A 63 16.873 20.285 -11.498 1.00 0.00 C ATOM 771 C GLU A 63 15.931 19.738 -10.412 1.00 0.00 C ATOM 772 O GLU A 63 15.834 18.535 -10.215 1.00 0.00 O ATOM 773 CB GLU A 63 18.227 20.711 -10.872 1.00 0.00 C ATOM 774 CG GLU A 63 19.178 19.555 -10.521 1.00 0.00 C ATOM 775 CD GLU A 63 20.100 19.152 -11.679 1.00 0.00 C ATOM 776 OE1 GLU A 63 21.200 19.727 -11.800 1.00 0.00 O ATOM 777 OE2 GLU A 63 19.709 18.278 -12.474 1.00 0.00 O ATOM 0 H GLU A 63 15.375 21.735 -11.702 1.00 0.00 H new ATOM 0 HA GLU A 63 17.072 19.506 -12.234 1.00 0.00 H new ATOM 0 HB2 GLU A 63 18.735 21.381 -11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 63 18.026 21.283 -9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.787 19.843 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 63 18.589 18.690 -10.217 1.00 0.00 H new ATOM 784 N ASP A 64 15.220 20.644 -9.729 1.00 0.00 N ATOM 785 CA ASP A 64 14.261 20.257 -8.666 1.00 0.00 C ATOM 786 C ASP A 64 12.894 19.873 -9.268 1.00 0.00 C ATOM 787 O ASP A 64 11.867 20.453 -8.931 1.00 0.00 O ATOM 788 CB ASP A 64 14.082 21.412 -7.652 1.00 0.00 C ATOM 789 CG ASP A 64 13.325 20.990 -6.394 1.00 0.00 C ATOM 790 OD1 ASP A 64 12.236 21.542 -6.132 1.00 0.00 O ATOM 791 OD2 ASP A 64 13.823 20.116 -5.668 1.00 0.00 O ATOM 0 H ASP A 64 15.285 21.650 -9.887 1.00 0.00 H new ATOM 0 HA ASP A 64 14.668 19.388 -8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.063 21.794 -7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.548 22.231 -8.133 1.00 0.00 H new ATOM 796 N CYS A 65 12.902 18.924 -10.182 1.00 0.00 N ATOM 797 CA CYS A 65 11.662 18.458 -10.806 1.00 0.00 C ATOM 798 C CYS A 65 11.206 17.155 -10.161 1.00 0.00 C ATOM 799 O CYS A 65 12.016 16.256 -9.918 1.00 0.00 O ATOM 800 CB CYS A 65 11.848 18.270 -12.316 1.00 0.00 C ATOM 801 SG CYS A 65 10.382 17.646 -13.195 1.00 0.00 S ATOM 0 H CYS A 65 13.746 18.457 -10.514 1.00 0.00 H new ATOM 0 HA CYS A 65 10.894 19.215 -10.650 1.00 0.00 H new ATOM 0 HB2 CYS A 65 12.137 19.225 -12.754 1.00 0.00 H new ATOM 0 HB3 CYS A 65 12.675 17.580 -12.483 1.00 0.00 H new ATOM 806 N ARG A 66 9.914 17.061 -9.889 1.00 0.00 N ATOM 807 CA ARG A 66 9.338 15.886 -9.238 1.00 0.00 C ATOM 808 C ARG A 66 8.547 15.045 -10.227 1.00 0.00 C ATOM 809 O ARG A 66 7.837 14.116 -9.841 1.00 0.00 O ATOM 810 CB ARG A 66 8.443 16.325 -8.077 1.00 0.00 C ATOM 811 CG ARG A 66 9.205 17.055 -6.992 1.00 0.00 C ATOM 812 CD ARG A 66 8.372 18.140 -6.342 1.00 0.00 C ATOM 813 NE ARG A 66 9.185 19.338 -6.123 1.00 0.00 N ATOM 814 CZ ARG A 66 8.783 20.579 -6.382 1.00 0.00 C ATOM 815 NH1 ARG A 66 7.528 20.810 -6.760 1.00 0.00 N ATOM 816 NH2 ARG A 66 9.634 21.590 -6.270 1.00 0.00 N ATOM 0 H ARG A 66 9.235 17.790 -10.110 1.00 0.00 H new ATOM 0 HA ARG A 66 10.151 15.271 -8.852 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.653 16.972 -8.458 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.958 15.449 -7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.527 16.342 -6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.106 17.496 -7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.518 18.382 -6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.974 17.783 -5.392 1.00 0.00 H new ATOM 0 HE ARG A 66 10.124 19.212 -5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.872 20.034 -6.852 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.222 21.763 -6.958 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.598 21.416 -5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.325 22.541 -6.469 1.00 0.00 H new ATOM 830 N CYS A 67 8.668 15.374 -11.496 1.00 0.00 N ATOM 831 CA CYS A 67 7.985 14.637 -12.531 1.00 0.00 C ATOM 832 C CYS A 67 8.848 13.480 -12.986 1.00 0.00 C ATOM 833 O CYS A 67 10.067 13.564 -12.958 1.00 0.00 O ATOM 834 CB CYS A 67 7.676 15.544 -13.724 1.00 0.00 C ATOM 835 SG CYS A 67 6.584 14.797 -14.959 1.00 0.00 S ATOM 0 H CYS A 67 9.236 16.151 -11.834 1.00 0.00 H new ATOM 0 HA CYS A 67 7.046 14.259 -12.126 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.218 16.463 -13.359 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.613 15.824 -14.206 1.00 0.00 H new ATOM 840 N GLN A 68 8.215 12.402 -13.388 1.00 0.00 N ATOM 841 CA GLN A 68 8.926 11.241 -13.893 1.00 0.00 C ATOM 842 C GLN A 68 8.691 11.090 -15.385 1.00 0.00 C ATOM 843 O GLN A 68 9.141 10.127 -16.001 1.00 0.00 O ATOM 844 CB GLN A 68 8.501 9.953 -13.159 1.00 0.00 C ATOM 845 CG GLN A 68 6.991 9.702 -13.135 1.00 0.00 C ATOM 846 CD GLN A 68 6.265 10.470 -12.052 1.00 0.00 C ATOM 847 OE1 GLN A 68 6.911 10.650 -10.911 1.00 0.00 O flip ATOM 848 NE2 GLN A 68 5.119 10.877 -12.226 1.00 0.00 N flip ATOM 0 H GLN A 68 7.200 12.301 -13.376 1.00 0.00 H new ATOM 0 HA GLN A 68 9.989 11.397 -13.709 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.990 9.102 -13.633 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.865 9.998 -12.133 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.571 9.972 -14.104 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.811 8.636 -12.996 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.652 10.720 -13.119 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.634 11.372 -11.477 1.00 0.00 H new ATOM 857 N SER A 69 8.002 12.060 -15.966 1.00 0.00 N ATOM 858 CA SER A 69 7.674 12.019 -17.367 1.00 0.00 C ATOM 859 C SER A 69 8.783 12.641 -18.205 1.00 0.00 C ATOM 860 O SER A 69 8.917 12.341 -19.387 1.00 0.00 O ATOM 861 CB SER A 69 6.352 12.738 -17.611 1.00 0.00 C ATOM 862 OG SER A 69 5.339 12.229 -16.751 1.00 0.00 O ATOM 0 H SER A 69 7.661 12.888 -15.477 1.00 0.00 H new ATOM 0 HA SER A 69 7.572 10.977 -17.669 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.477 13.807 -17.442 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.050 12.613 -18.651 1.00 0.00 H new ATOM 0 HG SER A 69 5.302 12.769 -15.934 1.00 0.00 H new ATOM 868 N CYS A 70 9.580 13.509 -17.598 1.00 0.00 N ATOM 869 CA CYS A 70 10.668 14.134 -18.322 1.00 0.00 C ATOM 870 C CYS A 70 12.011 13.961 -17.612 1.00 0.00 C ATOM 871 O CYS A 70 13.061 14.267 -18.172 1.00 0.00 O ATOM 872 CB CYS A 70 10.366 15.609 -18.589 1.00 0.00 C ATOM 873 SG CYS A 70 10.125 16.623 -17.113 1.00 0.00 S ATOM 0 H CYS A 70 9.493 13.791 -16.621 1.00 0.00 H new ATOM 0 HA CYS A 70 10.753 13.624 -19.281 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.185 16.032 -19.171 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.470 15.674 -19.206 1.00 0.00 H new ATOM 878 N SER A 71 11.977 13.470 -16.383 1.00 0.00 N ATOM 879 CA SER A 71 13.203 13.232 -15.628 1.00 0.00 C ATOM 880 C SER A 71 13.881 11.928 -16.084 1.00 0.00 C ATOM 881 O SER A 71 13.213 11.015 -16.589 1.00 0.00 O ATOM 882 CB SER A 71 12.888 13.167 -14.138 1.00 0.00 C ATOM 883 OG SER A 71 12.004 12.104 -13.855 1.00 0.00 O ATOM 0 H SER A 71 11.119 13.229 -15.887 1.00 0.00 H new ATOM 0 HA SER A 71 13.891 14.057 -15.814 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.811 13.038 -13.573 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.445 14.109 -13.815 1.00 0.00 H new ATOM 0 HG SER A 71 11.366 12.384 -13.166 1.00 0.00 H new ATOM 889 N THR A 72 15.201 11.844 -15.915 1.00 0.00 N ATOM 890 CA THR A 72 15.934 10.642 -16.292 1.00 0.00 C ATOM 891 C THR A 72 15.758 9.550 -15.243 1.00 0.00 C ATOM 892 O THR A 72 15.614 9.835 -14.037 1.00 0.00 O ATOM 893 CB THR A 72 17.446 10.925 -16.542 1.00 0.00 C ATOM 894 OG1 THR A 72 18.096 9.749 -17.039 1.00 0.00 O ATOM 895 CG2 THR A 72 18.141 11.372 -15.270 1.00 0.00 C ATOM 0 H THR A 72 15.778 12.588 -15.523 1.00 0.00 H new ATOM 0 HA THR A 72 15.512 10.294 -17.235 1.00 0.00 H new ATOM 0 HB THR A 72 17.512 11.725 -17.279 1.00 0.00 H new ATOM 0 HG1 THR A 72 19.045 9.940 -17.194 1.00 0.00 H new ATOM 0 HG21 THR A 72 19.194 11.561 -15.478 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.674 12.285 -14.902 1.00 0.00 H new ATOM 0 HG23 THR A 72 18.055 10.591 -14.515 1.00 0.00 H new ATOM 903 N ALA A 73 15.765 8.308 -15.712 1.00 0.00 N ATOM 904 CA ALA A 73 15.542 7.148 -14.873 1.00 0.00 C ATOM 905 C ALA A 73 16.526 7.068 -13.721 1.00 0.00 C ATOM 906 O ALA A 73 17.745 7.104 -13.913 1.00 0.00 O ATOM 907 CB ALA A 73 15.594 5.878 -15.704 1.00 0.00 C ATOM 0 H ALA A 73 15.927 8.081 -16.693 1.00 0.00 H new ATOM 0 HA ALA A 73 14.548 7.253 -14.437 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.425 5.015 -15.060 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.822 5.914 -16.473 1.00 0.00 H new ATOM 0 HB3 ALA A 73 16.573 5.792 -16.176 1.00 0.00 H new ATOM 913 N CYS A 74 15.979 6.987 -12.529 1.00 0.00 N ATOM 914 CA CYS A 74 16.764 6.831 -11.315 1.00 0.00 C ATOM 915 C CYS A 74 17.477 5.487 -11.276 1.00 0.00 C ATOM 916 O CYS A 74 17.207 4.602 -12.085 1.00 0.00 O ATOM 917 CB CYS A 74 15.873 6.976 -10.083 1.00 0.00 C ATOM 918 SG CYS A 74 15.647 8.667 -9.543 1.00 0.00 S ATOM 0 H CYS A 74 14.972 7.027 -12.369 1.00 0.00 H new ATOM 0 HA CYS A 74 17.520 7.617 -11.312 1.00 0.00 H new ATOM 0 HB2 CYS A 74 14.897 6.541 -10.300 1.00 0.00 H new ATOM 0 HB3 CYS A 74 16.305 6.399 -9.265 1.00 0.00 H new ATOM 923 N LYS A 75 18.382 5.338 -10.315 1.00 0.00 N ATOM 924 CA LYS A 75 19.121 4.095 -10.142 1.00 0.00 C ATOM 925 C LYS A 75 18.294 3.089 -9.383 1.00 0.00 C ATOM 926 O LYS A 75 18.773 2.013 -9.028 1.00 0.00 O ATOM 927 CB LYS A 75 20.445 4.341 -9.412 1.00 0.00 C ATOM 928 CG LYS A 75 21.466 5.092 -10.239 1.00 0.00 C ATOM 929 CD LYS A 75 21.856 4.295 -11.469 1.00 0.00 C ATOM 930 CE LYS A 75 22.669 5.140 -12.433 1.00 0.00 C ATOM 931 NZ LYS A 75 22.887 4.455 -13.730 1.00 0.00 N ATOM 0 H LYS A 75 18.621 6.066 -9.642 1.00 0.00 H new ATOM 0 HA LYS A 75 19.341 3.696 -11.132 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.247 4.902 -8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.868 3.382 -9.112 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.058 6.057 -10.540 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.351 5.294 -9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.434 3.420 -11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 75 20.959 3.929 -11.969 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.157 6.086 -12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.633 5.377 -11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.446 5.068 -14.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.399 3.564 -13.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 21.969 4.252 -14.174 1.00 0.00 H new ATOM 945 N CYS A 76 17.052 3.431 -9.141 1.00 0.00 N ATOM 946 CA CYS A 76 16.173 2.566 -8.431 1.00 0.00 C ATOM 947 C CYS A 76 15.786 1.384 -9.313 1.00 0.00 C ATOM 948 O CYS A 76 15.173 1.560 -10.358 1.00 0.00 O ATOM 949 CB CYS A 76 14.918 3.314 -7.987 1.00 0.00 C ATOM 950 SG CYS A 76 15.207 4.843 -7.063 1.00 0.00 S ATOM 0 H CYS A 76 16.634 4.314 -9.433 1.00 0.00 H new ATOM 0 HA CYS A 76 16.690 2.202 -7.543 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.326 3.551 -8.871 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.317 2.646 -7.370 1.00 0.00 H new ATOM 955 N ALA A 77 16.150 0.194 -8.879 1.00 0.00 N ATOM 956 CA ALA A 77 15.848 -1.038 -9.608 1.00 0.00 C ATOM 957 C ALA A 77 16.218 -2.248 -8.766 1.00 0.00 C ATOM 958 O ALA A 77 17.292 -2.287 -8.188 1.00 0.00 O ATOM 959 CB ALA A 77 16.605 -1.078 -10.933 1.00 0.00 C ATOM 0 H ALA A 77 16.664 0.046 -8.011 1.00 0.00 H new ATOM 0 HA ALA A 77 14.778 -1.060 -9.816 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.367 -2.002 -11.460 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.312 -0.225 -11.545 1.00 0.00 H new ATOM 0 HB3 ALA A 77 17.677 -1.036 -10.741 1.00 0.00 H new ATOM 965 N ALA A 78 15.304 -3.208 -8.669 1.00 0.00 N ATOM 966 CA ALA A 78 15.532 -4.455 -7.916 1.00 0.00 C ATOM 967 C ALA A 78 15.900 -4.196 -6.445 1.00 0.00 C ATOM 968 O ALA A 78 16.538 -5.024 -5.803 1.00 0.00 O ATOM 969 CB ALA A 78 16.609 -5.295 -8.597 1.00 0.00 C ATOM 0 H ALA A 78 14.384 -3.152 -9.106 1.00 0.00 H new ATOM 0 HA ALA A 78 14.592 -5.007 -7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.767 -6.213 -8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.290 -5.544 -9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 78 17.540 -4.729 -8.638 1.00 0.00 H new ATOM 975 N GLY A 79 15.476 -3.057 -5.917 1.00 0.00 N ATOM 976 CA GLY A 79 15.763 -2.736 -4.527 1.00 0.00 C ATOM 977 C GLY A 79 16.892 -1.732 -4.372 1.00 0.00 C ATOM 978 O GLY A 79 17.377 -1.499 -3.268 1.00 0.00 O ATOM 0 H GLY A 79 14.940 -2.350 -6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.863 -2.338 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.022 -3.651 -3.994 1.00 0.00 H new ATOM 982 N SER A 80 17.307 -1.130 -5.473 1.00 0.00 N ATOM 983 CA SER A 80 18.379 -0.160 -5.456 1.00 0.00 C ATOM 984 C SER A 80 17.884 1.252 -5.100 1.00 0.00 C ATOM 985 O SER A 80 18.530 2.239 -5.429 1.00 0.00 O ATOM 986 CB SER A 80 19.081 -0.155 -6.803 1.00 0.00 C ATOM 987 OG SER A 80 19.712 -1.399 -7.056 1.00 0.00 O ATOM 0 H SER A 80 16.911 -1.301 -6.397 1.00 0.00 H new ATOM 0 HA SER A 80 19.082 -0.453 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 80 18.359 0.057 -7.592 1.00 0.00 H new ATOM 0 HB3 SER A 80 19.823 0.644 -6.827 1.00 0.00 H new ATOM 0 HG SER A 80 19.077 -2.006 -7.490 1.00 0.00 H new ATOM 993 N CYS A 81 16.743 1.344 -4.430 1.00 0.00 N ATOM 994 CA CYS A 81 16.257 2.631 -3.975 1.00 0.00 C ATOM 995 C CYS A 81 16.954 2.977 -2.665 1.00 0.00 C ATOM 996 O CYS A 81 16.894 2.199 -1.710 1.00 0.00 O ATOM 997 CB CYS A 81 14.755 2.606 -3.744 1.00 0.00 C ATOM 998 SG CYS A 81 14.139 4.060 -2.852 1.00 0.00 S ATOM 0 H CYS A 81 16.146 0.551 -4.194 1.00 0.00 H new ATOM 0 HA CYS A 81 16.472 3.375 -4.742 1.00 0.00 H new ATOM 0 HB2 CYS A 81 14.248 2.538 -4.706 1.00 0.00 H new ATOM 0 HB3 CYS A 81 14.496 1.708 -3.183 1.00 0.00 H new ATOM 1003 N LYS A 82 17.610 4.117 -2.603 1.00 0.00 N ATOM 1004 CA LYS A 82 18.334 4.476 -1.391 1.00 0.00 C ATOM 1005 C LYS A 82 17.790 5.738 -0.730 1.00 0.00 C ATOM 1006 O LYS A 82 18.424 6.294 0.165 1.00 0.00 O ATOM 1007 CB LYS A 82 19.860 4.592 -1.639 1.00 0.00 C ATOM 1008 CG LYS A 82 20.282 5.537 -2.769 1.00 0.00 C ATOM 1009 CD LYS A 82 20.159 4.890 -4.153 1.00 0.00 C ATOM 1010 CE LYS A 82 21.076 3.681 -4.309 1.00 0.00 C ATOM 1011 NZ LYS A 82 22.506 4.028 -4.130 1.00 0.00 N ATOM 0 H LYS A 82 17.660 4.801 -3.358 1.00 0.00 H new ATOM 0 HA LYS A 82 18.171 3.655 -0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.335 4.925 -0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 82 20.250 3.598 -1.857 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.666 6.436 -2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.313 5.851 -2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.126 4.584 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.399 5.627 -4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.796 2.920 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.932 3.245 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.097 3.219 -4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.741 4.850 -4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.685 4.258 -3.132 1.00 0.00 H new ATOM 1025 N CYS A 83 16.613 6.181 -1.142 1.00 0.00 N ATOM 1026 CA CYS A 83 16.019 7.359 -0.527 1.00 0.00 C ATOM 1027 C CYS A 83 15.081 6.948 0.608 1.00 0.00 C ATOM 1028 O CYS A 83 14.944 7.663 1.605 1.00 0.00 O ATOM 1029 CB CYS A 83 15.260 8.192 -1.555 1.00 0.00 C ATOM 1030 SG CYS A 83 13.570 7.630 -1.858 1.00 0.00 S ATOM 0 H CYS A 83 16.059 5.754 -1.884 1.00 0.00 H new ATOM 0 HA CYS A 83 16.826 7.969 -0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.232 9.228 -1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 83 15.810 8.178 -2.496 1.00 0.00 H new ATOM 1035 N GLY A 84 14.437 5.789 0.448 1.00 0.00 N ATOM 1036 CA GLY A 84 13.530 5.299 1.465 1.00 0.00 C ATOM 1037 C GLY A 84 12.126 5.041 0.937 1.00 0.00 C ATOM 1038 O GLY A 84 11.310 4.412 1.613 1.00 0.00 O ATOM 0 H GLY A 84 14.531 5.185 -0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.929 4.376 1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.479 6.024 2.278 1.00 0.00 H new ATOM 1042 N LYS A 85 11.841 5.512 -0.271 1.00 0.00 N ATOM 1043 CA LYS A 85 10.511 5.343 -0.864 1.00 0.00 C ATOM 1044 C LYS A 85 10.318 3.955 -1.459 1.00 0.00 C ATOM 1045 O LYS A 85 9.195 3.450 -1.529 1.00 0.00 O ATOM 1046 CB LYS A 85 10.247 6.414 -1.927 1.00 0.00 C ATOM 1047 CG LYS A 85 10.173 7.830 -1.370 1.00 0.00 C ATOM 1048 CD LYS A 85 9.055 7.969 -0.346 1.00 0.00 C ATOM 1049 CE LYS A 85 7.683 7.890 -0.998 1.00 0.00 C ATOM 1050 NZ LYS A 85 7.304 9.167 -1.656 1.00 0.00 N ATOM 0 H LYS A 85 12.506 6.012 -0.860 1.00 0.00 H new ATOM 0 HA LYS A 85 9.789 5.459 -0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.036 6.370 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.311 6.184 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.125 8.091 -0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.011 8.535 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.148 7.183 0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.156 8.920 0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.678 7.087 -1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.938 7.636 -0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.670 8.970 -2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.816 9.779 -0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.160 9.647 -2.001 1.00 0.00 H new ATOM 1064 N GLY A 86 11.398 3.342 -1.887 1.00 0.00 N ATOM 1065 CA GLY A 86 11.311 2.024 -2.476 1.00 0.00 C ATOM 1066 C GLY A 86 10.734 2.070 -3.870 1.00 0.00 C ATOM 1067 O GLY A 86 9.927 1.222 -4.243 1.00 0.00 O ATOM 0 H GLY A 86 12.340 3.730 -1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.303 1.574 -2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.691 1.385 -1.847 1.00 0.00 H new ATOM 1071 N CYS A 87 11.136 3.082 -4.630 1.00 0.00 N ATOM 1072 CA CYS A 87 10.671 3.261 -6.001 1.00 0.00 C ATOM 1073 C CYS A 87 11.006 2.043 -6.838 1.00 0.00 C ATOM 1074 O CYS A 87 10.128 1.415 -7.421 1.00 0.00 O ATOM 1075 CB CYS A 87 11.343 4.481 -6.606 1.00 0.00 C ATOM 1076 SG CYS A 87 11.410 5.889 -5.496 1.00 0.00 S ATOM 0 H CYS A 87 11.790 3.799 -4.316 1.00 0.00 H new ATOM 0 HA CYS A 87 9.590 3.397 -5.989 1.00 0.00 H new ATOM 0 HB2 CYS A 87 12.357 4.216 -6.905 1.00 0.00 H new ATOM 0 HB3 CYS A 87 10.809 4.768 -7.512 1.00 0.00 H new ATOM 1081 N THR A 88 12.292 1.710 -6.867 1.00 0.00 N ATOM 1082 CA THR A 88 12.820 0.587 -7.640 1.00 0.00 C ATOM 1083 C THR A 88 12.389 0.667 -9.109 1.00 0.00 C ATOM 1084 O THR A 88 12.108 -0.346 -9.751 1.00 0.00 O ATOM 1085 CB THR A 88 12.437 -0.789 -7.026 1.00 0.00 C ATOM 1086 OG1 THR A 88 11.024 -0.992 -7.055 1.00 0.00 O ATOM 1087 CG2 THR A 88 12.920 -0.879 -5.588 1.00 0.00 C ATOM 0 H THR A 88 13.008 2.218 -6.348 1.00 0.00 H new ATOM 0 HA THR A 88 13.906 0.666 -7.598 1.00 0.00 H new ATOM 0 HB THR A 88 12.918 -1.562 -7.626 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.597 -0.253 -7.537 1.00 0.00 H new ATOM 0 HG21 THR A 88 12.644 -1.848 -5.172 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.004 -0.767 -5.561 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.459 -0.086 -4.999 1.00 0.00 H new ATOM 1095 N GLY A 89 12.370 1.881 -9.634 1.00 0.00 N ATOM 1096 CA GLY A 89 11.990 2.084 -11.020 1.00 0.00 C ATOM 1097 C GLY A 89 11.494 3.487 -11.276 1.00 0.00 C ATOM 1098 O GLY A 89 10.823 4.056 -10.429 1.00 0.00 O ATOM 0 H GLY A 89 12.611 2.732 -9.127 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.846 1.880 -11.663 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.211 1.370 -11.290 1.00 0.00 H new ATOM 1102 N PRO A 90 11.777 4.049 -12.471 1.00 0.00 N ATOM 1103 CA PRO A 90 11.439 5.446 -12.814 1.00 0.00 C ATOM 1104 C PRO A 90 9.940 5.735 -12.807 1.00 0.00 C ATOM 1105 O PRO A 90 9.518 6.839 -12.471 1.00 0.00 O ATOM 1106 CB PRO A 90 12.001 5.614 -14.229 1.00 0.00 C ATOM 1107 CG PRO A 90 12.106 4.229 -14.764 1.00 0.00 C ATOM 1108 CD PRO A 90 12.431 3.358 -13.591 1.00 0.00 C ATOM 0 HA PRO A 90 11.852 6.137 -12.079 1.00 0.00 H new ATOM 0 HB2 PRO A 90 11.344 6.227 -14.845 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.973 6.106 -14.212 1.00 0.00 H new ATOM 0 HG2 PRO A 90 11.172 3.920 -15.233 1.00 0.00 H new ATOM 0 HG3 PRO A 90 12.882 4.163 -15.526 1.00 0.00 H new ATOM 0 HD2 PRO A 90 12.046 2.347 -13.721 1.00 0.00 H new ATOM 0 HD3 PRO A 90 13.507 3.272 -13.439 1.00 0.00 H new ATOM 1116 N ASP A 91 9.139 4.749 -13.169 1.00 0.00 N ATOM 1117 CA ASP A 91 7.693 4.938 -13.209 1.00 0.00 C ATOM 1118 C ASP A 91 7.102 4.771 -11.822 1.00 0.00 C ATOM 1119 O ASP A 91 5.974 5.177 -11.553 1.00 0.00 O ATOM 1120 CB ASP A 91 7.041 3.967 -14.196 1.00 0.00 C ATOM 1121 CG ASP A 91 5.532 4.119 -14.259 1.00 0.00 C ATOM 1122 OD1 ASP A 91 4.822 3.119 -14.019 1.00 0.00 O ATOM 1123 OD2 ASP A 91 5.046 5.240 -14.539 1.00 0.00 O ATOM 0 H ASP A 91 9.457 3.818 -13.437 1.00 0.00 H new ATOM 0 HA ASP A 91 7.489 5.952 -13.553 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.460 4.129 -15.189 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.287 2.945 -13.909 1.00 0.00 H new ATOM 1128 N SER A 92 7.881 4.189 -10.941 1.00 0.00 N ATOM 1129 CA SER A 92 7.465 3.978 -9.573 1.00 0.00 C ATOM 1130 C SER A 92 8.114 5.020 -8.665 1.00 0.00 C ATOM 1131 O SER A 92 7.994 4.961 -7.438 1.00 0.00 O ATOM 1132 CB SER A 92 7.847 2.570 -9.125 1.00 0.00 C ATOM 1133 OG SER A 92 7.347 1.593 -10.031 1.00 0.00 O ATOM 0 H SER A 92 8.819 3.849 -11.151 1.00 0.00 H new ATOM 0 HA SER A 92 6.382 4.084 -9.507 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.932 2.488 -9.058 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.451 2.382 -8.127 1.00 0.00 H new ATOM 0 HG SER A 92 7.606 0.699 -9.724 1.00 0.00 H new ATOM 1139 N CYS A 93 8.797 5.975 -9.281 1.00 0.00 N ATOM 1140 CA CYS A 93 9.475 7.025 -8.553 1.00 0.00 C ATOM 1141 C CYS A 93 8.514 8.078 -8.069 1.00 0.00 C ATOM 1142 O CYS A 93 7.642 8.548 -8.811 1.00 0.00 O ATOM 1143 CB CYS A 93 10.565 7.661 -9.404 1.00 0.00 C ATOM 1144 SG CYS A 93 11.983 6.610 -9.661 1.00 0.00 S ATOM 0 H CYS A 93 8.893 6.039 -10.294 1.00 0.00 H new ATOM 0 HA CYS A 93 9.936 6.564 -7.680 1.00 0.00 H new ATOM 0 HB2 CYS A 93 10.145 7.932 -10.373 1.00 0.00 H new ATOM 0 HB3 CYS A 93 10.891 8.586 -8.928 1.00 0.00 H new ATOM 1149 N LYS A 94 8.674 8.435 -6.824 1.00 0.00 N ATOM 1150 CA LYS A 94 7.874 9.454 -6.191 1.00 0.00 C ATOM 1151 C LYS A 94 8.803 10.408 -5.475 1.00 0.00 C ATOM 1152 O LYS A 94 8.515 10.893 -4.374 1.00 0.00 O ATOM 1153 CB LYS A 94 6.873 8.817 -5.223 1.00 0.00 C ATOM 1154 CG LYS A 94 5.793 8.011 -5.932 1.00 0.00 C ATOM 1155 CD LYS A 94 5.715 6.579 -5.424 1.00 0.00 C ATOM 1156 CE LYS A 94 5.170 6.511 -4.013 1.00 0.00 C ATOM 1157 NZ LYS A 94 4.968 5.115 -3.563 1.00 0.00 N ATOM 0 H LYS A 94 9.374 8.021 -6.209 1.00 0.00 H new ATOM 0 HA LYS A 94 7.298 10.003 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.408 8.167 -4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.403 9.600 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.828 8.497 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.992 8.004 -7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.080 5.992 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.707 6.129 -5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.858 7.015 -3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.223 7.048 -3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.594 5.114 -2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.292 4.641 -4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.876 4.608 -3.585 1.00 0.00 H new ATOM 1171 N CYS A 95 9.917 10.664 -6.128 1.00 0.00 N ATOM 1172 CA CYS A 95 10.956 11.527 -5.622 1.00 0.00 C ATOM 1173 C CYS A 95 11.426 12.480 -6.727 1.00 0.00 C ATOM 1174 O CYS A 95 11.035 12.324 -7.890 1.00 0.00 O ATOM 1175 CB CYS A 95 12.121 10.682 -5.069 1.00 0.00 C ATOM 1176 SG CYS A 95 12.496 9.166 -6.009 1.00 0.00 S ATOM 0 H CYS A 95 10.127 10.268 -7.044 1.00 0.00 H new ATOM 0 HA CYS A 95 10.563 12.130 -4.803 1.00 0.00 H new ATOM 0 HB2 CYS A 95 13.017 11.303 -5.039 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.891 10.405 -4.040 1.00 0.00 H new ATOM 1181 N ASP A 96 12.236 13.470 -6.371 1.00 0.00 N ATOM 1182 CA ASP A 96 12.696 14.452 -7.349 1.00 0.00 C ATOM 1183 C ASP A 96 14.091 14.122 -7.885 1.00 0.00 C ATOM 1184 O ASP A 96 14.721 13.149 -7.469 1.00 0.00 O ATOM 1185 CB ASP A 96 12.652 15.881 -6.778 1.00 0.00 C ATOM 1186 CG ASP A 96 13.508 16.066 -5.547 1.00 0.00 C ATOM 1187 OD1 ASP A 96 14.738 16.092 -5.685 1.00 0.00 O ATOM 1188 OD2 ASP A 96 12.943 16.203 -4.442 1.00 0.00 O ATOM 0 H ASP A 96 12.585 13.615 -5.424 1.00 0.00 H new ATOM 0 HA ASP A 96 12.004 14.403 -8.190 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.979 16.581 -7.547 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.620 16.135 -6.535 1.00 0.00 H new ATOM 1193 N ARG A 97 14.570 14.953 -8.806 1.00 0.00 N ATOM 1194 CA ARG A 97 15.866 14.728 -9.465 1.00 0.00 C ATOM 1195 C ARG A 97 17.037 15.056 -8.545 1.00 0.00 C ATOM 1196 O ARG A 97 18.192 14.787 -8.878 1.00 0.00 O ATOM 1197 CB ARG A 97 15.985 15.571 -10.736 1.00 0.00 C ATOM 1198 CG ARG A 97 14.700 15.711 -11.536 1.00 0.00 C ATOM 1199 CD ARG A 97 14.955 16.271 -12.939 1.00 0.00 C ATOM 1200 NE ARG A 97 16.212 17.030 -13.050 1.00 0.00 N ATOM 1201 CZ ARG A 97 16.497 17.850 -14.073 1.00 0.00 C ATOM 1202 NH1 ARG A 97 15.583 18.090 -15.012 1.00 0.00 N ATOM 1203 NH2 ARG A 97 17.683 18.439 -14.153 1.00 0.00 N ATOM 0 H ARG A 97 14.083 15.793 -9.118 1.00 0.00 H new ATOM 0 HA ARG A 97 15.907 13.669 -9.719 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.335 16.566 -10.462 1.00 0.00 H new ATOM 0 HB3 ARG A 97 16.748 15.129 -11.377 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.215 14.738 -11.617 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.011 16.367 -11.004 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.973 15.447 -13.652 1.00 0.00 H new ATOM 0 HD3 ARG A 97 14.124 16.918 -13.220 1.00 0.00 H new ATOM 0 HE ARG A 97 16.904 16.927 -12.308 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.665 17.650 -14.954 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.802 18.714 -15.789 1.00 0.00 H new ATOM 0 HH21 ARG A 97 18.386 18.270 -13.434 1.00 0.00 H new ATOM 0 HH22 ARG A 97 17.892 19.061 -14.934 1.00 0.00 H new ATOM 1217 N SER A 98 16.743 15.633 -7.408 1.00 0.00 N ATOM 1218 CA SER A 98 17.763 15.997 -6.456 1.00 0.00 C ATOM 1219 C SER A 98 17.721 15.054 -5.257 1.00 0.00 C ATOM 1220 O SER A 98 18.420 15.256 -4.264 1.00 0.00 O ATOM 1221 CB SER A 98 17.560 17.447 -6.012 1.00 0.00 C ATOM 1222 OG SER A 98 17.666 18.343 -7.115 1.00 0.00 O ATOM 0 H SER A 98 15.793 15.863 -7.116 1.00 0.00 H new ATOM 0 HA SER A 98 18.743 15.910 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 98 16.580 17.554 -5.546 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.302 17.706 -5.257 1.00 0.00 H new ATOM 0 HG SER A 98 17.531 19.262 -6.804 1.00 0.00 H new ATOM 1228 N CYS A 99 16.912 14.007 -5.370 1.00 0.00 N ATOM 1229 CA CYS A 99 16.754 13.041 -4.300 1.00 0.00 C ATOM 1230 C CYS A 99 18.029 12.213 -4.135 1.00 0.00 C ATOM 1231 O CYS A 99 18.927 12.260 -4.988 1.00 0.00 O ATOM 1232 CB CYS A 99 15.560 12.127 -4.587 1.00 0.00 C ATOM 1233 SG CYS A 99 14.685 11.551 -3.108 1.00 0.00 S ATOM 0 H CYS A 99 16.353 13.808 -6.200 1.00 0.00 H new ATOM 0 HA CYS A 99 16.569 13.578 -3.370 1.00 0.00 H new ATOM 0 HB2 CYS A 99 14.856 12.659 -5.226 1.00 0.00 H new ATOM 0 HB3 CYS A 99 15.908 11.260 -5.149 1.00 0.00 H new ATOM 1238 N SER A 100 18.096 11.445 -3.056 1.00 0.00 N ATOM 1239 CA SER A 100 19.268 10.625 -2.747 1.00 0.00 C ATOM 1240 C SER A 100 19.498 9.532 -3.798 1.00 0.00 C ATOM 1241 O SER A 100 20.558 8.910 -3.837 1.00 0.00 O ATOM 1242 CB SER A 100 19.106 10.001 -1.366 1.00 0.00 C ATOM 1243 OG SER A 100 18.845 11.001 -0.396 1.00 0.00 O ATOM 0 H SER A 100 17.345 11.370 -2.370 1.00 0.00 H new ATOM 0 HA SER A 100 20.143 11.274 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 100 18.290 9.279 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.011 9.455 -1.099 1.00 0.00 H new ATOM 0 HG SER A 100 18.742 10.584 0.485 1.00 0.00 H new ATOM 1249 N CYS A 101 18.501 9.301 -4.631 1.00 0.00 N ATOM 1250 CA CYS A 101 18.594 8.311 -5.689 1.00 0.00 C ATOM 1251 C CYS A 101 19.477 8.813 -6.830 1.00 0.00 C ATOM 1252 O CYS A 101 20.001 8.023 -7.620 1.00 0.00 O ATOM 1253 CB CYS A 101 17.205 8.001 -6.196 1.00 0.00 C ATOM 1254 SG CYS A 101 16.018 7.789 -4.868 1.00 0.00 S ATOM 0 H CYS A 101 17.607 9.791 -4.595 1.00 0.00 H new ATOM 0 HA CYS A 101 19.050 7.405 -5.291 1.00 0.00 H new ATOM 0 HB2 CYS A 101 16.873 8.807 -6.850 1.00 0.00 H new ATOM 0 HB3 CYS A 101 17.236 7.093 -6.799 1.00 0.00 H new ATOM 1259 N LYS A 102 19.629 10.127 -6.919 1.00 0.00 N ATOM 1260 CA LYS A 102 20.472 10.731 -7.942 1.00 0.00 C ATOM 1261 C LYS A 102 21.851 11.061 -7.397 1.00 0.00 C ATOM 1262 O LYS A 102 22.713 10.142 -7.410 1.00 0.00 O ATOM 1263 CB LYS A 102 19.805 11.978 -8.509 1.00 0.00 C ATOM 1264 CG LYS A 102 18.696 11.663 -9.491 1.00 0.00 C ATOM 1265 CD LYS A 102 19.265 11.258 -10.846 1.00 0.00 C ATOM 1266 CE LYS A 102 18.315 10.330 -11.599 1.00 0.00 C ATOM 1267 NZ LYS A 102 16.935 10.885 -11.709 1.00 0.00 N ATOM 0 H LYS A 102 19.179 10.796 -6.294 1.00 0.00 H new ATOM 0 HA LYS A 102 20.599 10.006 -8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 102 19.399 12.570 -7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 102 20.557 12.592 -9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 102 18.075 10.858 -9.098 1.00 0.00 H new ATOM 0 HG3 LYS A 102 18.051 12.534 -9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.453 12.150 -11.444 1.00 0.00 H new ATOM 0 HD3 LYS A 102 20.225 10.761 -10.705 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.709 10.147 -12.599 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.275 9.367 -11.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 16.528 10.624 -12.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.343 10.497 -10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.970 11.921 -11.627 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 13.846 7.312 -8.087 1.00 0.00 CD HETATM 1283 CD CD A 202 14.175 5.599 -5.014 1.00 0.00 CD HETATM 1284 CD CD A 203 14.170 9.048 -3.998 1.00 0.00 CD HETATM 1285 CD CD A 204 7.391 16.914 -16.581 1.00 0.00 CD HETATM 1286 CD CD A 205 9.266 19.776 -14.111 1.00 0.00 CD HETATM 1287 CD CD A 206 11.049 19.074 -17.798 1.00 0.00 CD HETATM 1288 CD CD A 207 8.446 24.819 4.784 1.00 0.00 CD HETATM 1289 CD CD A 208 5.388 25.616 2.238 1.00 0.00 CD HETATM 1290 CD CD A 209 8.363 22.545 1.328 1.00 0.00 CD