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 1 GLY N :NH3+ 173:sc= -0.0152 (180deg=0) USER MOD Set 1.2: A 3 MET CE :methyl -147:sc= -0.125 (180deg=-0.591) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0027 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0875 K(o=-0.088,f=-1.4) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.122 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= -0.43 X(o=-0.43,f=-0.13) USER MOD Single : A 30 THR OG1 : rot 145:sc= 1.25 USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= -0.0372 (180deg=-0.248) USER MOD Single : A 36 GLN : amide:sc=-0.00448 K(o=-0.0045,f=-1.2) USER MOD Single : A 37 SER OG : rot 93:sc= -0.141 USER MOD Single : A 39 LYS NZ :NH3+ -121:sc= 0.129 (180deg=-0.169) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -140:sc= -0.0885 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -171:sc=-0.000114 (180deg=-0.0905) USER MOD Single : A 50 GLN : amide:sc= -0.413 K(o=-0.41,f=-1.6!) 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= -0.0736 X(o=-0.074,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -3.42! C(o=-3.4!,f=-6.2!) USER MOD Single : A 69 SER OG : rot 102:sc= 0.0272 USER MOD Single : A 71 SER OG : rot 170:sc= -3.55! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc=-0.00648 (180deg=-0.136) USER MOD Single : A 80 SER OG : rot -50:sc= 0.167 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 14:sc= 0.895 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= 0.148 (180deg=-0.144) 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+ 164:sc= 1.11 (180deg=0.902) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.333 10.310 13.329 1.00 0.00 N ATOM 2 CA GLY A 1 21.784 10.314 12.987 1.00 0.00 C ATOM 3 C GLY A 1 22.109 11.277 11.857 1.00 0.00 C ATOM 4 O GLY A 1 23.062 12.062 11.947 1.00 0.00 O ATOM 0 H1 GLY A 1 20.141 9.556 14.019 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.070 11.229 13.738 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.774 10.141 12.468 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.362 10.586 13.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.091 9.307 12.703 1.00 0.00 H new ATOM 7 N SER A 2 21.321 11.221 10.796 1.00 0.00 N ATOM 8 CA SER A 2 21.519 12.091 9.649 1.00 0.00 C ATOM 9 C SER A 2 20.185 12.634 9.153 1.00 0.00 C ATOM 10 O SER A 2 19.336 11.878 8.671 1.00 0.00 O ATOM 11 CB SER A 2 22.238 11.336 8.526 1.00 0.00 C ATOM 12 OG SER A 2 23.507 10.864 8.964 1.00 0.00 O ATOM 0 H SER A 2 20.534 10.578 10.705 1.00 0.00 H new ATOM 0 HA SER A 2 22.140 12.932 9.957 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.626 10.496 8.197 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.367 11.992 7.665 1.00 0.00 H new ATOM 0 HG SER A 2 23.948 10.384 8.232 1.00 0.00 H new ATOM 18 N MET A 3 20.001 13.938 9.285 1.00 0.00 N ATOM 19 CA MET A 3 18.771 14.586 8.864 1.00 0.00 C ATOM 20 C MET A 3 19.051 15.988 8.335 1.00 0.00 C ATOM 21 O MET A 3 20.091 16.585 8.637 1.00 0.00 O ATOM 22 CB MET A 3 17.763 14.661 10.023 1.00 0.00 C ATOM 23 CG MET A 3 18.184 15.578 11.174 1.00 0.00 C ATOM 24 SD MET A 3 19.583 14.941 12.127 1.00 0.00 S ATOM 25 CE MET A 3 18.866 13.462 12.842 1.00 0.00 C ATOM 0 H MET A 3 20.694 14.572 9.683 1.00 0.00 H new ATOM 0 HA MET A 3 18.340 13.985 8.063 1.00 0.00 H new ATOM 0 HB2 MET A 3 16.805 15.006 9.633 1.00 0.00 H new ATOM 0 HB3 MET A 3 17.605 13.656 10.415 1.00 0.00 H new ATOM 0 HG2 MET A 3 18.444 16.557 10.772 1.00 0.00 H new ATOM 0 HG3 MET A 3 17.335 15.723 11.842 1.00 0.00 H new ATOM 0 HE1 MET A 3 19.299 13.287 13.827 1.00 0.00 H new ATOM 0 HE2 MET A 3 17.788 13.590 12.937 1.00 0.00 H new ATOM 0 HE3 MET A 3 19.075 12.608 12.197 1.00 0.00 H new ATOM 35 N SER A 4 18.127 16.504 7.555 1.00 0.00 N ATOM 36 CA SER A 4 18.248 17.830 6.998 1.00 0.00 C ATOM 37 C SER A 4 16.989 18.629 7.296 1.00 0.00 C ATOM 38 O SER A 4 15.875 18.106 7.197 1.00 0.00 O ATOM 39 CB SER A 4 18.483 17.744 5.484 1.00 0.00 C ATOM 40 OG SER A 4 18.675 19.029 4.905 1.00 0.00 O ATOM 0 H SER A 4 17.272 16.015 7.290 1.00 0.00 H new ATOM 0 HA SER A 4 19.100 18.335 7.453 1.00 0.00 H new ATOM 0 HB2 SER A 4 19.356 17.122 5.287 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.631 17.256 5.011 1.00 0.00 H new ATOM 0 HG SER A 4 18.823 18.935 3.941 1.00 0.00 H new ATOM 46 N SER A 5 17.161 19.878 7.672 1.00 0.00 N ATOM 47 CA SER A 5 16.041 20.733 7.975 1.00 0.00 C ATOM 48 C SER A 5 15.429 21.285 6.705 1.00 0.00 C ATOM 49 O SER A 5 15.867 22.307 6.180 1.00 0.00 O ATOM 50 CB SER A 5 16.468 21.869 8.901 1.00 0.00 C ATOM 51 OG SER A 5 17.020 21.358 10.101 1.00 0.00 O ATOM 0 H SER A 5 18.073 20.323 7.775 1.00 0.00 H new ATOM 0 HA SER A 5 15.286 20.136 8.487 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.201 22.499 8.397 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.609 22.500 9.130 1.00 0.00 H new ATOM 0 HG SER A 5 17.289 22.102 10.680 1.00 0.00 H new ATOM 57 N VAL A 6 14.440 20.580 6.194 1.00 0.00 N ATOM 58 CA VAL A 6 13.740 21.009 5.005 1.00 0.00 C ATOM 59 C VAL A 6 12.750 22.121 5.358 1.00 0.00 C ATOM 60 O VAL A 6 12.389 22.941 4.522 1.00 0.00 O ATOM 61 CB VAL A 6 13.003 19.819 4.328 1.00 0.00 C ATOM 62 CG1 VAL A 6 11.884 19.282 5.210 1.00 0.00 C ATOM 63 CG2 VAL A 6 12.480 20.206 2.951 1.00 0.00 C ATOM 0 H VAL A 6 14.103 19.702 6.588 1.00 0.00 H new ATOM 0 HA VAL A 6 14.471 21.395 4.295 1.00 0.00 H new ATOM 0 HB VAL A 6 13.730 19.017 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.390 18.451 4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 6 12.301 18.936 6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.159 20.073 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.970 19.353 2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.782 21.037 3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.314 20.505 2.316 1.00 0.00 H new ATOM 73 N PHE A 7 12.340 22.151 6.614 1.00 0.00 N ATOM 74 CA PHE A 7 11.419 23.158 7.085 1.00 0.00 C ATOM 75 C PHE A 7 12.181 24.317 7.703 1.00 0.00 C ATOM 76 O PHE A 7 13.310 24.155 8.182 1.00 0.00 O ATOM 77 CB PHE A 7 10.427 22.566 8.106 1.00 0.00 C ATOM 78 CG PHE A 7 11.079 22.010 9.350 1.00 0.00 C ATOM 79 CD1 PHE A 7 11.168 22.775 10.504 1.00 0.00 C ATOM 80 CD2 PHE A 7 11.600 20.724 9.362 1.00 0.00 C ATOM 81 CE1 PHE A 7 11.765 22.270 11.643 1.00 0.00 C ATOM 82 CE2 PHE A 7 12.198 20.214 10.500 1.00 0.00 C ATOM 83 CZ PHE A 7 12.281 20.988 11.641 1.00 0.00 C ATOM 0 H PHE A 7 12.635 21.483 7.326 1.00 0.00 H new ATOM 0 HA PHE A 7 10.849 23.524 6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.716 23.340 8.396 1.00 0.00 H new ATOM 0 HB3 PHE A 7 9.855 21.773 7.623 1.00 0.00 H new ATOM 0 HD1 PHE A 7 10.766 23.777 10.512 1.00 0.00 H new ATOM 0 HD2 PHE A 7 11.538 20.114 8.473 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.828 22.877 12.534 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.600 19.211 10.497 1.00 0.00 H new ATOM 0 HZ PHE A 7 12.748 20.592 12.530 1.00 0.00 H new ATOM 93 N GLY A 8 11.573 25.476 7.677 1.00 0.00 N ATOM 94 CA GLY A 8 12.175 26.637 8.269 1.00 0.00 C ATOM 95 C GLY A 8 11.782 26.780 9.706 1.00 0.00 C ATOM 96 O GLY A 8 12.576 26.524 10.611 1.00 0.00 O ATOM 0 H GLY A 8 10.660 25.638 7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.260 26.566 8.192 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.874 27.527 7.717 1.00 0.00 H new ATOM 100 N ALA A 9 10.545 27.175 9.907 1.00 0.00 N ATOM 101 CA ALA A 9 9.982 27.356 11.225 1.00 0.00 C ATOM 102 C ALA A 9 8.487 27.535 11.097 1.00 0.00 C ATOM 103 O ALA A 9 7.704 26.765 11.649 1.00 0.00 O ATOM 104 CB ALA A 9 10.604 28.564 11.911 1.00 0.00 C ATOM 0 H ALA A 9 9.894 27.382 9.150 1.00 0.00 H new ATOM 0 HA ALA A 9 10.195 26.478 11.835 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.167 28.684 12.902 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.680 28.416 12.004 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.411 29.458 11.319 1.00 0.00 H new ATOM 110 N GLY A 10 8.095 28.534 10.324 1.00 0.00 N ATOM 111 CA GLY A 10 6.694 28.804 10.116 1.00 0.00 C ATOM 112 C GLY A 10 6.175 28.185 8.842 1.00 0.00 C ATOM 113 O GLY A 10 5.521 28.856 8.041 1.00 0.00 O ATOM 0 H GLY A 10 8.729 29.166 9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.123 28.422 10.962 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.535 29.882 10.085 1.00 0.00 H new ATOM 117 N CYS A 11 6.478 26.910 8.636 1.00 0.00 N ATOM 118 CA CYS A 11 6.000 26.202 7.472 1.00 0.00 C ATOM 119 C CYS A 11 4.565 25.766 7.696 1.00 0.00 C ATOM 120 O CYS A 11 4.176 25.448 8.821 1.00 0.00 O ATOM 121 CB CYS A 11 6.880 24.992 7.198 1.00 0.00 C ATOM 122 SG CYS A 11 8.631 25.387 7.006 1.00 0.00 S ATOM 0 H CYS A 11 7.054 26.351 9.265 1.00 0.00 H new ATOM 0 HA CYS A 11 6.041 26.864 6.607 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.766 24.280 8.015 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.528 24.497 6.293 1.00 0.00 H new ATOM 127 N THR A 12 3.785 25.757 6.650 1.00 0.00 N ATOM 128 CA THR A 12 2.391 25.394 6.762 1.00 0.00 C ATOM 129 C THR A 12 2.191 23.892 6.633 1.00 0.00 C ATOM 130 O THR A 12 3.117 23.157 6.271 1.00 0.00 O ATOM 131 CB THR A 12 1.554 26.102 5.687 1.00 0.00 C ATOM 132 OG1 THR A 12 2.144 25.889 4.394 1.00 0.00 O ATOM 133 CG2 THR A 12 1.460 27.587 5.967 1.00 0.00 C ATOM 0 H THR A 12 4.088 25.997 5.706 1.00 0.00 H new ATOM 0 HA THR A 12 2.060 25.710 7.751 1.00 0.00 H new ATOM 0 HB THR A 12 0.548 25.684 5.703 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.606 26.341 3.711 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.862 28.066 5.192 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.990 27.745 6.938 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.460 28.020 5.974 1.00 0.00 H new ATOM 141 N ASP A 13 0.977 23.437 6.927 1.00 0.00 N ATOM 142 CA ASP A 13 0.613 22.033 6.761 1.00 0.00 C ATOM 143 C ASP A 13 0.659 21.679 5.291 1.00 0.00 C ATOM 144 O ASP A 13 0.838 20.521 4.914 1.00 0.00 O ATOM 145 CB ASP A 13 -0.796 21.767 7.303 1.00 0.00 C ATOM 146 CG ASP A 13 -0.832 21.523 8.797 1.00 0.00 C ATOM 147 OD1 ASP A 13 -1.260 20.420 9.212 1.00 0.00 O ATOM 148 OD2 ASP A 13 -0.434 22.419 9.568 1.00 0.00 O ATOM 0 H ASP A 13 0.223 24.025 7.284 1.00 0.00 H new ATOM 0 HA ASP A 13 1.320 21.420 7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.434 22.618 7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.216 20.901 6.791 1.00 0.00 H new ATOM 153 N VAL A 14 0.509 22.702 4.468 1.00 0.00 N ATOM 154 CA VAL A 14 0.538 22.564 3.029 1.00 0.00 C ATOM 155 C VAL A 14 1.965 22.255 2.556 1.00 0.00 C ATOM 156 O VAL A 14 2.166 21.610 1.522 1.00 0.00 O ATOM 157 CB VAL A 14 0.029 23.862 2.348 1.00 0.00 C ATOM 158 CG1 VAL A 14 -0.194 23.648 0.865 1.00 0.00 C ATOM 159 CG2 VAL A 14 -1.249 24.355 3.014 1.00 0.00 C ATOM 0 H VAL A 14 0.362 23.660 4.787 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.118 21.740 2.749 1.00 0.00 H new ATOM 0 HB VAL A 14 0.797 24.626 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.551 24.574 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.744 23.353 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.936 22.863 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.588 25.266 2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.020 23.589 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.054 24.563 4.066 1.00 0.00 H new ATOM 169 N CYS A 15 2.951 22.691 3.343 1.00 0.00 N ATOM 170 CA CYS A 15 4.348 22.457 3.024 1.00 0.00 C ATOM 171 C CYS A 15 4.725 21.031 3.410 1.00 0.00 C ATOM 172 O CYS A 15 5.600 20.414 2.807 1.00 0.00 O ATOM 173 CB CYS A 15 5.229 23.474 3.769 1.00 0.00 C ATOM 174 SG CYS A 15 7.007 23.288 3.502 1.00 0.00 S ATOM 0 H CYS A 15 2.799 23.210 4.208 1.00 0.00 H new ATOM 0 HA CYS A 15 4.507 22.583 1.953 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.935 24.478 3.464 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.027 23.393 4.837 1.00 0.00 H new ATOM 179 N LYS A 16 4.014 20.496 4.402 1.00 0.00 N ATOM 180 CA LYS A 16 4.258 19.143 4.889 1.00 0.00 C ATOM 181 C LYS A 16 3.497 18.122 4.040 1.00 0.00 C ATOM 182 O LYS A 16 3.415 16.946 4.392 1.00 0.00 O ATOM 183 CB LYS A 16 3.840 19.019 6.364 1.00 0.00 C ATOM 184 CG LYS A 16 4.386 20.123 7.262 1.00 0.00 C ATOM 185 CD LYS A 16 5.910 20.123 7.319 1.00 0.00 C ATOM 186 CE LYS A 16 6.427 21.446 7.840 1.00 0.00 C ATOM 187 NZ LYS A 16 6.220 21.588 9.307 1.00 0.00 N ATOM 0 H LYS A 16 3.260 20.984 4.885 1.00 0.00 H new ATOM 0 HA LYS A 16 5.326 18.938 4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.752 19.023 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.177 18.055 6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.038 21.090 6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.987 20.000 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.255 19.314 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.316 19.935 6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.490 21.534 7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.922 22.262 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.588 22.508 9.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.204 21.530 9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.723 20.825 9.804 1.00 0.00 H new ATOM 201 N GLN A 17 2.939 18.586 2.925 1.00 0.00 N ATOM 202 CA GLN A 17 2.218 17.707 2.000 1.00 0.00 C ATOM 203 C GLN A 17 3.189 16.867 1.182 1.00 0.00 C ATOM 204 O GLN A 17 4.410 16.992 1.315 1.00 0.00 O ATOM 205 CB GLN A 17 1.308 18.503 1.051 1.00 0.00 C ATOM 206 CG GLN A 17 -0.059 18.849 1.619 1.00 0.00 C ATOM 207 CD GLN A 17 -0.973 19.496 0.581 1.00 0.00 C ATOM 208 OE1 GLN A 17 -0.870 19.226 -0.613 1.00 0.00 O ATOM 209 NE2 GLN A 17 -1.868 20.348 1.039 1.00 0.00 N ATOM 0 H GLN A 17 2.970 19.564 2.638 1.00 0.00 H new ATOM 0 HA GLN A 17 1.594 17.051 2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.815 19.427 0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.170 17.928 0.135 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.531 17.944 2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.062 19.526 2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.920 20.544 2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.508 20.811 0.394 1.00 0.00 H new ATOM 218 N THR A 18 2.646 16.029 0.326 1.00 0.00 N ATOM 219 CA THR A 18 3.442 15.155 -0.521 1.00 0.00 C ATOM 220 C THR A 18 2.644 14.756 -1.774 1.00 0.00 C ATOM 221 O THR A 18 1.748 13.916 -1.703 1.00 0.00 O ATOM 222 CB THR A 18 3.900 13.876 0.236 1.00 0.00 C ATOM 223 OG1 THR A 18 4.629 14.244 1.421 1.00 0.00 O ATOM 224 CG2 THR A 18 4.792 13.015 -0.651 1.00 0.00 C ATOM 0 H THR A 18 1.639 15.931 0.194 1.00 0.00 H new ATOM 0 HA THR A 18 4.333 15.710 -0.815 1.00 0.00 H new ATOM 0 HB THR A 18 3.013 13.305 0.509 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.914 13.435 1.895 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.101 12.126 -0.102 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.240 12.718 -1.543 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.674 13.585 -0.943 1.00 0.00 H new ATOM 232 N PRO A 19 2.937 15.382 -2.935 1.00 0.00 N ATOM 233 CA PRO A 19 3.974 16.413 -3.059 1.00 0.00 C ATOM 234 C PRO A 19 3.573 17.699 -2.350 1.00 0.00 C ATOM 235 O PRO A 19 2.403 17.883 -2.008 1.00 0.00 O ATOM 236 CB PRO A 19 4.074 16.656 -4.578 1.00 0.00 C ATOM 237 CG PRO A 19 3.313 15.536 -5.208 1.00 0.00 C ATOM 238 CD PRO A 19 2.269 15.140 -4.214 1.00 0.00 C ATOM 0 HA PRO A 19 4.915 16.101 -2.607 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.649 17.622 -4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.113 16.660 -4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.858 15.852 -6.147 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.971 14.698 -5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.363 15.738 -4.318 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.977 14.096 -4.327 1.00 0.00 H new ATOM 246 N CYS A 20 4.545 18.571 -2.124 1.00 0.00 N ATOM 247 CA CYS A 20 4.313 19.835 -1.452 1.00 0.00 C ATOM 248 C CYS A 20 3.177 20.591 -2.123 1.00 0.00 C ATOM 249 O CYS A 20 3.218 20.855 -3.329 1.00 0.00 O ATOM 250 CB CYS A 20 5.584 20.660 -1.477 1.00 0.00 C ATOM 251 SG CYS A 20 5.485 22.202 -0.570 1.00 0.00 S ATOM 0 H CYS A 20 5.515 18.420 -2.402 1.00 0.00 H new ATOM 0 HA CYS A 20 4.030 19.644 -0.417 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.398 20.063 -1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.840 20.878 -2.514 1.00 0.00 H new ATOM 256 N GLY A 21 2.175 20.947 -1.345 1.00 0.00 N ATOM 257 CA GLY A 21 1.015 21.560 -1.898 1.00 0.00 C ATOM 258 C GLY A 21 1.174 23.041 -2.121 1.00 0.00 C ATOM 259 O GLY A 21 0.370 23.641 -2.804 1.00 0.00 O ATOM 0 H GLY A 21 2.153 20.817 -0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.776 21.080 -2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.169 21.388 -1.232 1.00 0.00 H new ATOM 263 N CYS A 22 2.219 23.642 -1.561 1.00 0.00 N ATOM 264 CA CYS A 22 2.443 25.084 -1.748 1.00 0.00 C ATOM 265 C CYS A 22 2.703 25.401 -3.222 1.00 0.00 C ATOM 266 O CYS A 22 2.413 26.494 -3.694 1.00 0.00 O ATOM 267 CB CYS A 22 3.628 25.576 -0.925 1.00 0.00 C ATOM 268 SG CYS A 22 3.398 25.641 0.869 1.00 0.00 S ATOM 0 H CYS A 22 2.915 23.170 -0.984 1.00 0.00 H new ATOM 0 HA CYS A 22 1.541 25.595 -1.412 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.481 24.931 -1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.892 26.575 -1.271 1.00 0.00 H new ATOM 273 N ALA A 23 3.221 24.424 -3.948 1.00 0.00 N ATOM 274 CA ALA A 23 3.560 24.606 -5.355 1.00 0.00 C ATOM 275 C ALA A 23 2.360 24.330 -6.243 1.00 0.00 C ATOM 276 O ALA A 23 2.455 24.347 -7.469 1.00 0.00 O ATOM 277 CB ALA A 23 4.705 23.691 -5.727 1.00 0.00 C ATOM 0 H ALA A 23 3.418 23.491 -3.586 1.00 0.00 H new ATOM 0 HA ALA A 23 3.862 25.642 -5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.955 23.830 -6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.574 23.928 -5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.412 22.655 -5.558 1.00 0.00 H new ATOM 283 N THR A 24 1.246 24.056 -5.617 1.00 0.00 N ATOM 284 CA THR A 24 0.040 23.758 -6.307 1.00 0.00 C ATOM 285 C THR A 24 -1.118 24.628 -5.783 1.00 0.00 C ATOM 286 O THR A 24 -1.977 25.071 -6.542 1.00 0.00 O ATOM 287 CB THR A 24 -0.287 22.273 -6.101 1.00 0.00 C ATOM 288 OG1 THR A 24 0.750 21.466 -6.676 1.00 0.00 O ATOM 289 CG2 THR A 24 -1.609 21.920 -6.709 1.00 0.00 C ATOM 0 H THR A 24 1.160 24.036 -4.601 1.00 0.00 H new ATOM 0 HA THR A 24 0.168 23.972 -7.368 1.00 0.00 H new ATOM 0 HB THR A 24 -0.348 22.080 -5.030 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.540 20.518 -6.542 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.813 20.862 -6.547 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.394 22.516 -6.244 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.584 22.125 -7.779 1.00 0.00 H new ATOM 297 N SER A 25 -1.105 24.883 -4.494 1.00 0.00 N ATOM 298 CA SER A 25 -2.167 25.617 -3.836 1.00 0.00 C ATOM 299 C SER A 25 -1.710 26.996 -3.337 1.00 0.00 C ATOM 300 O SER A 25 -2.524 27.789 -2.866 1.00 0.00 O ATOM 301 CB SER A 25 -2.700 24.781 -2.675 1.00 0.00 C ATOM 302 OG SER A 25 -3.311 23.588 -3.150 1.00 0.00 O ATOM 0 H SER A 25 -0.356 24.587 -3.869 1.00 0.00 H new ATOM 0 HA SER A 25 -2.956 25.798 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.884 24.532 -1.996 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.423 25.363 -2.104 1.00 0.00 H new ATOM 0 HG SER A 25 -3.644 23.066 -2.390 1.00 0.00 H new ATOM 308 N GLY A 26 -0.423 27.277 -3.440 1.00 0.00 N ATOM 309 CA GLY A 26 0.082 28.554 -2.984 1.00 0.00 C ATOM 310 C GLY A 26 0.887 28.425 -1.709 1.00 0.00 C ATOM 311 O GLY A 26 0.583 27.589 -0.858 1.00 0.00 O ATOM 0 H GLY A 26 0.279 26.648 -3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.704 28.996 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.753 29.235 -2.818 1.00 0.00 H new ATOM 315 N CYS A 27 1.911 29.241 -1.585 1.00 0.00 N ATOM 316 CA CYS A 27 2.783 29.219 -0.423 1.00 0.00 C ATOM 317 C CYS A 27 2.318 30.218 0.635 1.00 0.00 C ATOM 318 O CYS A 27 1.660 31.216 0.321 1.00 0.00 O ATOM 319 CB CYS A 27 4.222 29.532 -0.841 1.00 0.00 C ATOM 320 SG CYS A 27 5.373 29.734 0.539 1.00 0.00 S ATOM 0 H CYS A 27 2.165 29.939 -2.284 1.00 0.00 H new ATOM 0 HA CYS A 27 2.742 28.220 0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.583 28.730 -1.485 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.224 30.445 -1.437 1.00 0.00 H new ATOM 325 N ASN A 28 2.660 29.940 1.887 1.00 0.00 N ATOM 326 CA ASN A 28 2.307 30.815 2.998 1.00 0.00 C ATOM 327 C ASN A 28 3.360 30.693 4.114 1.00 0.00 C ATOM 328 O ASN A 28 3.128 31.065 5.261 1.00 0.00 O ATOM 329 CB ASN A 28 0.898 30.454 3.517 1.00 0.00 C ATOM 330 CG ASN A 28 0.309 31.492 4.470 1.00 0.00 C ATOM 331 OD1 ASN A 28 -0.258 32.492 4.035 1.00 0.00 O ATOM 332 ND2 ASN A 28 0.406 31.241 5.765 1.00 0.00 N ATOM 0 H ASN A 28 3.185 29.109 2.159 1.00 0.00 H new ATOM 0 HA ASN A 28 2.291 31.851 2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.227 30.333 2.666 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.944 29.491 4.026 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.002 31.889 6.442 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.885 30.400 6.087 1.00 0.00 H new ATOM 339 N CYS A 29 4.531 30.183 3.758 1.00 0.00 N ATOM 340 CA CYS A 29 5.611 30.002 4.721 1.00 0.00 C ATOM 341 C CYS A 29 6.372 31.290 4.947 1.00 0.00 C ATOM 342 O CYS A 29 6.178 32.279 4.234 1.00 0.00 O ATOM 343 CB CYS A 29 6.584 28.930 4.247 1.00 0.00 C ATOM 344 SG CYS A 29 5.887 27.283 4.173 1.00 0.00 S ATOM 0 H CYS A 29 4.758 29.887 2.809 1.00 0.00 H new ATOM 0 HA CYS A 29 5.153 29.692 5.660 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.951 29.201 3.257 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.446 28.917 4.914 1.00 0.00 H new ATOM 349 N THR A 30 7.234 31.272 5.938 1.00 0.00 N ATOM 350 CA THR A 30 8.068 32.400 6.232 1.00 0.00 C ATOM 351 C THR A 30 9.385 32.261 5.476 1.00 0.00 C ATOM 352 O THR A 30 9.643 31.224 4.858 1.00 0.00 O ATOM 353 CB THR A 30 8.341 32.503 7.744 1.00 0.00 C ATOM 354 OG1 THR A 30 8.951 31.289 8.214 1.00 0.00 O ATOM 355 CG2 THR A 30 7.051 32.747 8.511 1.00 0.00 C ATOM 0 H THR A 30 7.372 30.474 6.558 1.00 0.00 H new ATOM 0 HA THR A 30 7.554 33.308 5.917 1.00 0.00 H new ATOM 0 HB THR A 30 9.014 33.344 7.912 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.603 31.500 8.915 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.269 32.816 9.577 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.597 33.678 8.172 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.361 31.922 8.335 1.00 0.00 H new ATOM 363 N ASP A 31 10.230 33.275 5.548 1.00 0.00 N ATOM 364 CA ASP A 31 11.508 33.263 4.832 1.00 0.00 C ATOM 365 C ASP A 31 12.537 32.385 5.533 1.00 0.00 C ATOM 366 O ASP A 31 13.723 32.403 5.200 1.00 0.00 O ATOM 367 CB ASP A 31 12.044 34.684 4.662 1.00 0.00 C ATOM 368 CG ASP A 31 11.151 35.531 3.783 1.00 0.00 C ATOM 369 OD1 ASP A 31 11.196 35.366 2.547 1.00 0.00 O ATOM 370 OD2 ASP A 31 10.385 36.364 4.328 1.00 0.00 O ATOM 0 H ASP A 31 10.060 34.120 6.093 1.00 0.00 H new ATOM 0 HA ASP A 31 11.327 32.837 3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.139 35.154 5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.044 34.644 4.230 1.00 0.00 H new ATOM 375 N ASP A 32 12.074 31.609 6.498 1.00 0.00 N ATOM 376 CA ASP A 32 12.923 30.694 7.223 1.00 0.00 C ATOM 377 C ASP A 32 12.907 29.357 6.522 1.00 0.00 C ATOM 378 O ASP A 32 13.753 28.511 6.760 1.00 0.00 O ATOM 379 CB ASP A 32 12.410 30.510 8.659 1.00 0.00 C ATOM 380 CG ASP A 32 12.191 31.815 9.390 1.00 0.00 C ATOM 381 OD1 ASP A 32 13.113 32.272 10.087 1.00 0.00 O ATOM 382 OD2 ASP A 32 11.081 32.382 9.280 1.00 0.00 O ATOM 0 H ASP A 32 11.099 31.599 6.797 1.00 0.00 H new ATOM 0 HA ASP A 32 13.935 31.097 7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.473 29.955 8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.124 29.905 9.217 1.00 0.00 H new ATOM 387 N CYS A 33 11.922 29.189 5.648 1.00 0.00 N ATOM 388 CA CYS A 33 11.695 27.943 4.935 1.00 0.00 C ATOM 389 C CYS A 33 12.897 27.541 4.073 1.00 0.00 C ATOM 390 O CYS A 33 13.522 28.383 3.418 1.00 0.00 O ATOM 391 CB CYS A 33 10.446 28.071 4.076 1.00 0.00 C ATOM 392 SG CYS A 33 10.041 26.592 3.150 1.00 0.00 S ATOM 0 H CYS A 33 11.253 29.923 5.414 1.00 0.00 H new ATOM 0 HA CYS A 33 11.556 27.154 5.674 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.602 28.328 4.716 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.581 28.898 3.379 1.00 0.00 H new ATOM 397 N LYS A 34 13.211 26.245 4.083 1.00 0.00 N ATOM 398 CA LYS A 34 14.340 25.706 3.328 1.00 0.00 C ATOM 399 C LYS A 34 13.871 24.683 2.298 1.00 0.00 C ATOM 400 O LYS A 34 14.688 23.996 1.681 1.00 0.00 O ATOM 401 CB LYS A 34 15.325 25.017 4.279 1.00 0.00 C ATOM 402 CG LYS A 34 15.702 25.840 5.488 1.00 0.00 C ATOM 403 CD LYS A 34 16.282 27.171 5.082 1.00 0.00 C ATOM 404 CE LYS A 34 16.677 27.992 6.288 1.00 0.00 C ATOM 405 NZ LYS A 34 17.701 27.310 7.119 1.00 0.00 N ATOM 0 H LYS A 34 12.692 25.544 4.612 1.00 0.00 H new ATOM 0 HA LYS A 34 14.824 26.538 2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.889 24.077 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.231 24.768 3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.822 25.999 6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.427 25.294 6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.154 27.011 4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.552 27.722 4.488 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.063 28.957 5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.794 28.192 6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.125 27.994 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.254 26.541 7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.442 26.917 6.504 1.00 0.00 H new ATOM 419 N CYS A 35 12.572 24.583 2.110 1.00 0.00 N ATOM 420 CA CYS A 35 12.029 23.576 1.222 1.00 0.00 C ATOM 421 C CYS A 35 12.258 23.922 -0.243 1.00 0.00 C ATOM 422 O CYS A 35 11.987 25.029 -0.686 1.00 0.00 O ATOM 423 CB CYS A 35 10.545 23.355 1.489 1.00 0.00 C ATOM 424 SG CYS A 35 9.839 21.997 0.531 1.00 0.00 S ATOM 0 H CYS A 35 11.877 25.181 2.556 1.00 0.00 H new ATOM 0 HA CYS A 35 12.564 22.649 1.429 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.400 23.155 2.551 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.002 24.272 1.261 1.00 0.00 H new ATOM 429 N GLN A 36 12.753 22.957 -0.991 1.00 0.00 N ATOM 430 CA GLN A 36 13.006 23.137 -2.413 1.00 0.00 C ATOM 431 C GLN A 36 11.758 22.785 -3.217 1.00 0.00 C ATOM 432 O GLN A 36 11.779 22.765 -4.447 1.00 0.00 O ATOM 433 CB GLN A 36 14.164 22.244 -2.855 1.00 0.00 C ATOM 434 CG GLN A 36 15.464 22.493 -2.108 1.00 0.00 C ATOM 435 CD GLN A 36 16.527 21.471 -2.453 1.00 0.00 C ATOM 436 OE1 GLN A 36 16.219 20.327 -2.777 1.00 0.00 O ATOM 437 NE2 GLN A 36 17.777 21.866 -2.367 1.00 0.00 N ATOM 0 H GLN A 36 12.991 22.031 -0.637 1.00 0.00 H new ATOM 0 HA GLN A 36 13.266 24.180 -2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.875 21.201 -2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.336 22.393 -3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.832 23.491 -2.345 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.275 22.470 -1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.991 22.825 -2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.533 21.213 -2.573 1.00 0.00 H new ATOM 446 N SER A 37 10.675 22.506 -2.515 1.00 0.00 N ATOM 447 CA SER A 37 9.444 22.107 -3.153 1.00 0.00 C ATOM 448 C SER A 37 8.514 23.293 -3.378 1.00 0.00 C ATOM 449 O SER A 37 8.064 23.529 -4.503 1.00 0.00 O ATOM 450 CB SER A 37 8.743 21.045 -2.318 1.00 0.00 C ATOM 451 OG SER A 37 9.640 20.005 -1.957 1.00 0.00 O ATOM 0 H SER A 37 10.628 22.550 -1.497 1.00 0.00 H new ATOM 0 HA SER A 37 9.696 21.693 -4.129 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.328 21.500 -1.419 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.907 20.629 -2.880 1.00 0.00 H new ATOM 0 HG SER A 37 10.038 20.205 -1.084 1.00 0.00 H new ATOM 457 N CYS A 38 8.227 24.040 -2.319 1.00 0.00 N ATOM 458 CA CYS A 38 7.317 25.166 -2.425 1.00 0.00 C ATOM 459 C CYS A 38 8.018 26.365 -3.020 1.00 0.00 C ATOM 460 O CYS A 38 7.422 27.149 -3.758 1.00 0.00 O ATOM 461 CB CYS A 38 6.723 25.509 -1.065 1.00 0.00 C ATOM 462 SG CYS A 38 7.888 26.089 0.163 1.00 0.00 S ATOM 0 H CYS A 38 8.609 23.886 -1.386 1.00 0.00 H new ATOM 0 HA CYS A 38 6.502 24.883 -3.091 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.959 26.274 -1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.221 24.624 -0.674 1.00 0.00 H new ATOM 467 N LYS A 39 9.291 26.488 -2.719 1.00 0.00 N ATOM 468 CA LYS A 39 10.106 27.560 -3.236 1.00 0.00 C ATOM 469 C LYS A 39 10.637 27.193 -4.616 1.00 0.00 C ATOM 470 O LYS A 39 11.829 27.343 -4.902 1.00 0.00 O ATOM 471 CB LYS A 39 11.249 27.847 -2.273 1.00 0.00 C ATOM 472 CG LYS A 39 10.781 28.484 -0.980 1.00 0.00 C ATOM 473 CD LYS A 39 11.359 27.789 0.228 1.00 0.00 C ATOM 474 CE LYS A 39 12.860 27.996 0.335 1.00 0.00 C ATOM 475 NZ LYS A 39 13.208 29.409 0.627 1.00 0.00 N ATOM 0 H LYS A 39 9.791 25.844 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 39 9.500 28.461 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.770 26.917 -2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.970 28.506 -2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.069 29.535 -0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.693 28.452 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.875 28.165 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.143 26.722 0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.259 27.355 1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.335 27.691 -0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.816 29.780 -0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.338 29.976 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.714 29.462 1.534 1.00 0.00 H new ATOM 489 N TYR A 40 9.737 26.710 -5.467 1.00 0.00 N ATOM 490 CA TYR A 40 10.090 26.293 -6.812 1.00 0.00 C ATOM 491 C TYR A 40 10.581 27.469 -7.647 1.00 0.00 C ATOM 492 O TYR A 40 10.196 28.617 -7.423 1.00 0.00 O ATOM 493 CB TYR A 40 8.912 25.579 -7.507 1.00 0.00 C ATOM 494 CG TYR A 40 7.680 26.442 -7.745 1.00 0.00 C ATOM 495 CD1 TYR A 40 7.499 27.114 -8.951 1.00 0.00 C ATOM 496 CD2 TYR A 40 6.697 26.570 -6.773 1.00 0.00 C ATOM 497 CE1 TYR A 40 6.375 27.886 -9.177 1.00 0.00 C ATOM 498 CE2 TYR A 40 5.570 27.342 -6.991 1.00 0.00 C ATOM 499 CZ TYR A 40 5.414 27.998 -8.193 1.00 0.00 C ATOM 500 OH TYR A 40 4.289 28.761 -8.417 1.00 0.00 O ATOM 0 H TYR A 40 8.748 26.599 -5.242 1.00 0.00 H new ATOM 0 HA TYR A 40 10.909 25.579 -6.726 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.257 25.194 -8.467 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.622 24.719 -6.903 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.250 27.031 -9.723 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.814 26.058 -5.830 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.249 28.399 -10.119 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.816 27.430 -6.223 1.00 0.00 H new ATOM 0 HH TYR A 40 3.712 28.734 -7.625 1.00 0.00 H new ATOM 510 N GLY A 41 11.422 27.167 -8.607 1.00 0.00 N ATOM 511 CA GLY A 41 12.008 28.184 -9.446 1.00 0.00 C ATOM 512 C GLY A 41 13.450 27.862 -9.724 1.00 0.00 C ATOM 513 O GLY A 41 13.942 28.050 -10.831 1.00 0.00 O ATOM 0 H GLY A 41 11.718 26.216 -8.828 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.456 28.254 -10.384 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.933 29.156 -8.958 1.00 0.00 H new ATOM 517 N ALA A 42 14.120 27.344 -8.710 1.00 0.00 N ATOM 518 CA ALA A 42 15.509 26.932 -8.830 1.00 0.00 C ATOM 519 C ALA A 42 15.586 25.454 -9.191 1.00 0.00 C ATOM 520 O ALA A 42 16.639 24.828 -9.086 1.00 0.00 O ATOM 521 CB ALA A 42 16.247 27.199 -7.526 1.00 0.00 C ATOM 0 H ALA A 42 13.720 27.197 -7.783 1.00 0.00 H new ATOM 0 HA ALA A 42 15.983 27.510 -9.623 1.00 0.00 H new ATOM 0 HB1 ALA A 42 17.287 26.887 -7.626 1.00 0.00 H new ATOM 0 HB2 ALA A 42 16.208 28.264 -7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.776 26.637 -6.720 1.00 0.00 H new ATOM 527 N GLY A 43 14.467 24.912 -9.648 1.00 0.00 N ATOM 528 CA GLY A 43 14.409 23.511 -9.976 1.00 0.00 C ATOM 529 C GLY A 43 13.476 23.183 -11.126 1.00 0.00 C ATOM 530 O GLY A 43 13.501 22.075 -11.634 1.00 0.00 O ATOM 0 H GLY A 43 13.597 25.424 -9.796 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.412 23.165 -10.226 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.091 22.955 -9.094 1.00 0.00 H new ATOM 534 N CYS A 44 12.708 24.154 -11.578 1.00 0.00 N ATOM 535 CA CYS A 44 11.691 23.899 -12.604 1.00 0.00 C ATOM 536 C CYS A 44 11.727 24.903 -13.731 1.00 0.00 C ATOM 537 O CYS A 44 12.557 25.817 -13.754 1.00 0.00 O ATOM 538 CB CYS A 44 10.287 23.902 -11.995 1.00 0.00 C ATOM 539 SG CYS A 44 9.826 22.375 -11.175 1.00 0.00 S ATOM 0 H CYS A 44 12.760 25.122 -11.261 1.00 0.00 H new ATOM 0 HA CYS A 44 11.925 22.917 -13.014 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.218 24.720 -11.277 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.563 24.108 -12.784 1.00 0.00 H new ATOM 544 N THR A 45 10.806 24.718 -14.656 1.00 0.00 N ATOM 545 CA THR A 45 10.638 25.582 -15.783 1.00 0.00 C ATOM 546 C THR A 45 9.142 25.736 -16.066 1.00 0.00 C ATOM 547 O THR A 45 8.309 25.086 -15.423 1.00 0.00 O ATOM 548 CB THR A 45 11.360 25.019 -17.036 1.00 0.00 C ATOM 549 OG1 THR A 45 11.250 25.936 -18.130 1.00 0.00 O ATOM 550 CG2 THR A 45 10.775 23.675 -17.445 1.00 0.00 C ATOM 0 H THR A 45 10.144 23.942 -14.635 1.00 0.00 H new ATOM 0 HA THR A 45 11.080 26.552 -15.554 1.00 0.00 H new ATOM 0 HB THR A 45 12.411 24.883 -16.780 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.095 25.438 -18.960 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.299 23.303 -18.325 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.890 22.964 -16.627 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.716 23.794 -17.676 1.00 0.00 H new ATOM 558 N ASP A 46 8.814 26.565 -17.029 1.00 0.00 N ATOM 559 CA ASP A 46 7.423 26.835 -17.389 1.00 0.00 C ATOM 560 C ASP A 46 6.789 25.628 -18.096 1.00 0.00 C ATOM 561 O ASP A 46 5.574 25.477 -18.135 1.00 0.00 O ATOM 562 CB ASP A 46 7.360 28.074 -18.293 1.00 0.00 C ATOM 563 CG ASP A 46 5.959 28.405 -18.764 1.00 0.00 C ATOM 564 OD1 ASP A 46 5.530 27.852 -19.796 1.00 0.00 O ATOM 565 OD2 ASP A 46 5.286 29.235 -18.113 1.00 0.00 O ATOM 0 H ASP A 46 9.496 27.076 -17.590 1.00 0.00 H new ATOM 0 HA ASP A 46 6.857 27.021 -16.476 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.765 28.930 -17.753 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.999 27.914 -19.161 1.00 0.00 H new ATOM 570 N THR A 47 7.622 24.771 -18.624 1.00 0.00 N ATOM 571 CA THR A 47 7.164 23.626 -19.379 1.00 0.00 C ATOM 572 C THR A 47 6.741 22.450 -18.467 1.00 0.00 C ATOM 573 O THR A 47 5.855 21.669 -18.821 1.00 0.00 O ATOM 574 CB THR A 47 8.271 23.176 -20.345 1.00 0.00 C ATOM 575 OG1 THR A 47 8.909 24.340 -20.892 1.00 0.00 O ATOM 576 CG2 THR A 47 7.695 22.355 -21.480 1.00 0.00 C ATOM 0 H THR A 47 8.636 24.843 -18.545 1.00 0.00 H new ATOM 0 HA THR A 47 6.279 23.929 -19.939 1.00 0.00 H new ATOM 0 HB THR A 47 8.987 22.563 -19.798 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.619 24.064 -21.509 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.498 22.048 -22.151 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.202 21.471 -21.076 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.971 22.954 -22.032 1.00 0.00 H new ATOM 584 N CYS A 48 7.351 22.347 -17.293 1.00 0.00 N ATOM 585 CA CYS A 48 7.065 21.236 -16.370 1.00 0.00 C ATOM 586 C CYS A 48 5.721 21.400 -15.669 1.00 0.00 C ATOM 587 O CYS A 48 5.014 20.425 -15.422 1.00 0.00 O ATOM 588 CB CYS A 48 8.174 21.103 -15.324 1.00 0.00 C ATOM 589 SG CYS A 48 7.801 19.927 -14.000 1.00 0.00 S ATOM 0 H CYS A 48 8.045 23.012 -16.951 1.00 0.00 H new ATOM 0 HA CYS A 48 7.021 20.330 -16.974 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.093 20.794 -15.822 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.363 22.082 -14.884 1.00 0.00 H new ATOM 594 N LYS A 49 5.364 22.638 -15.376 1.00 0.00 N ATOM 595 CA LYS A 49 4.131 22.950 -14.644 1.00 0.00 C ATOM 596 C LYS A 49 2.878 22.612 -15.459 1.00 0.00 C ATOM 597 O LYS A 49 1.754 22.729 -14.964 1.00 0.00 O ATOM 598 CB LYS A 49 4.122 24.426 -14.284 1.00 0.00 C ATOM 599 CG LYS A 49 4.057 25.332 -15.500 1.00 0.00 C ATOM 600 CD LYS A 49 4.374 26.766 -15.152 1.00 0.00 C ATOM 601 CE LYS A 49 3.387 27.337 -14.136 1.00 0.00 C ATOM 602 NZ LYS A 49 1.996 27.375 -14.660 1.00 0.00 N ATOM 0 H LYS A 49 5.913 23.458 -15.634 1.00 0.00 H new ATOM 0 HA LYS A 49 4.112 22.338 -13.742 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.268 24.632 -13.638 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.019 24.660 -13.711 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.760 24.978 -16.254 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.062 25.277 -15.941 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.385 26.827 -14.750 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.354 27.372 -16.058 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.414 26.735 -13.228 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.696 28.345 -13.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.391 27.906 -14.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.988 27.841 -15.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.635 26.405 -14.756 1.00 0.00 H new ATOM 616 N GLN A 50 3.074 22.207 -16.698 1.00 0.00 N ATOM 617 CA GLN A 50 1.984 21.881 -17.570 1.00 0.00 C ATOM 618 C GLN A 50 1.416 20.515 -17.244 1.00 0.00 C ATOM 619 O GLN A 50 2.006 19.754 -16.484 1.00 0.00 O ATOM 620 CB GLN A 50 2.440 21.941 -19.006 1.00 0.00 C ATOM 621 CG GLN A 50 3.013 23.286 -19.353 1.00 0.00 C ATOM 622 CD GLN A 50 3.001 23.564 -20.817 1.00 0.00 C ATOM 623 OE1 GLN A 50 2.144 23.072 -21.554 1.00 0.00 O ATOM 624 NE2 GLN A 50 3.932 24.353 -21.261 1.00 0.00 N ATOM 0 H GLN A 50 3.996 22.098 -17.120 1.00 0.00 H new ATOM 0 HA GLN A 50 1.190 22.613 -17.421 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.190 21.170 -19.182 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.599 21.723 -19.664 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.446 24.061 -18.837 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.038 23.344 -18.986 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.623 24.739 -20.618 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.973 24.586 -22.253 1.00 0.00 H new ATOM 633 N THR A 51 0.278 20.219 -17.812 1.00 0.00 N ATOM 634 CA THR A 51 -0.384 18.959 -17.593 1.00 0.00 C ATOM 635 C THR A 51 -0.577 18.199 -18.905 1.00 0.00 C ATOM 636 O THR A 51 -1.037 18.768 -19.902 1.00 0.00 O ATOM 637 CB THR A 51 -1.736 19.158 -16.891 1.00 0.00 C ATOM 638 OG1 THR A 51 -2.362 20.364 -17.364 1.00 0.00 O ATOM 639 CG2 THR A 51 -1.545 19.237 -15.390 1.00 0.00 C ATOM 0 H THR A 51 -0.219 20.847 -18.443 1.00 0.00 H new ATOM 0 HA THR A 51 0.258 18.364 -16.943 1.00 0.00 H new ATOM 0 HB THR A 51 -2.376 18.306 -17.121 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.224 20.483 -16.913 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.512 19.378 -14.907 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.092 18.313 -15.032 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.894 20.077 -15.150 1.00 0.00 H new ATOM 647 N PRO A 52 -0.198 16.906 -18.935 1.00 0.00 N ATOM 648 CA PRO A 52 0.397 16.221 -17.776 1.00 0.00 C ATOM 649 C PRO A 52 1.782 16.767 -17.456 1.00 0.00 C ATOM 650 O PRO A 52 2.162 16.883 -16.293 1.00 0.00 O ATOM 651 CB PRO A 52 0.478 14.758 -18.223 1.00 0.00 C ATOM 652 CG PRO A 52 0.492 14.815 -19.714 1.00 0.00 C ATOM 653 CD PRO A 52 -0.330 16.015 -20.095 1.00 0.00 C ATOM 0 HA PRO A 52 -0.187 16.358 -16.866 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.376 14.276 -17.837 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.374 14.185 -17.857 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.511 14.905 -20.091 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.073 13.904 -20.142 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.043 16.484 -21.005 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.370 15.747 -20.278 1.00 0.00 H new ATOM 661 N CYS A 53 2.518 17.093 -18.505 1.00 0.00 N ATOM 662 CA CYS A 53 3.811 17.710 -18.393 1.00 0.00 C ATOM 663 C CYS A 53 4.331 18.041 -19.773 1.00 0.00 C ATOM 664 O CYS A 53 4.357 17.178 -20.654 1.00 0.00 O ATOM 665 CB CYS A 53 4.796 16.798 -17.696 1.00 0.00 C ATOM 666 SG CYS A 53 6.285 17.651 -17.164 1.00 0.00 S ATOM 0 H CYS A 53 2.222 16.931 -19.468 1.00 0.00 H new ATOM 0 HA CYS A 53 3.704 18.619 -17.801 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.314 16.345 -16.830 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.070 15.986 -18.369 1.00 0.00 H new ATOM 671 N GLY A 54 4.729 19.281 -19.978 1.00 0.00 N ATOM 672 CA GLY A 54 5.255 19.666 -21.261 1.00 0.00 C ATOM 673 C GLY A 54 6.690 19.211 -21.460 1.00 0.00 C ATOM 674 O GLY A 54 7.117 18.954 -22.588 1.00 0.00 O ATOM 0 H GLY A 54 4.697 20.025 -19.281 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.631 19.243 -22.048 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.204 20.750 -21.361 1.00 0.00 H new ATOM 678 N CYS A 55 7.432 19.086 -20.358 1.00 0.00 N ATOM 679 CA CYS A 55 8.841 18.701 -20.409 1.00 0.00 C ATOM 680 C CYS A 55 9.045 17.303 -20.966 1.00 0.00 C ATOM 681 O CYS A 55 10.157 16.941 -21.355 1.00 0.00 O ATOM 682 CB CYS A 55 9.481 18.824 -19.042 1.00 0.00 C ATOM 683 SG CYS A 55 9.734 20.519 -18.513 1.00 0.00 S ATOM 0 H CYS A 55 7.077 19.247 -19.415 1.00 0.00 H new ATOM 0 HA CYS A 55 9.330 19.393 -21.095 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.854 18.314 -18.310 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.442 18.309 -19.053 1.00 0.00 H new ATOM 688 N GLY A 56 7.976 16.521 -21.014 1.00 0.00 N ATOM 689 CA GLY A 56 8.064 15.198 -21.589 1.00 0.00 C ATOM 690 C GLY A 56 8.440 15.257 -23.059 1.00 0.00 C ATOM 691 O GLY A 56 8.979 14.303 -23.611 1.00 0.00 O ATOM 0 H GLY A 56 7.053 16.780 -20.666 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.805 14.612 -21.046 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.108 14.686 -21.477 1.00 0.00 H new ATOM 695 N SER A 57 8.164 16.395 -23.685 1.00 0.00 N ATOM 696 CA SER A 57 8.472 16.599 -25.086 1.00 0.00 C ATOM 697 C SER A 57 9.537 17.695 -25.247 1.00 0.00 C ATOM 698 O SER A 57 9.748 18.221 -26.346 1.00 0.00 O ATOM 699 CB SER A 57 7.201 16.997 -25.831 1.00 0.00 C ATOM 700 OG SER A 57 6.104 16.180 -25.435 1.00 0.00 O ATOM 0 H SER A 57 7.722 17.196 -23.234 1.00 0.00 H new ATOM 0 HA SER A 57 8.864 15.671 -25.502 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.971 18.044 -25.632 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.360 16.904 -26.905 1.00 0.00 H new ATOM 0 HG SER A 57 5.300 16.453 -25.923 1.00 0.00 H new ATOM 706 N GLY A 58 10.207 18.031 -24.150 1.00 0.00 N ATOM 707 CA GLY A 58 11.222 19.065 -24.189 1.00 0.00 C ATOM 708 C GLY A 58 11.424 19.721 -22.837 1.00 0.00 C ATOM 709 O GLY A 58 10.797 20.738 -22.531 1.00 0.00 O ATOM 0 H GLY A 58 10.064 17.605 -23.234 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.165 18.634 -24.526 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.939 19.823 -24.920 1.00 0.00 H new ATOM 713 N CYS A 59 12.297 19.143 -22.037 1.00 0.00 N ATOM 714 CA CYS A 59 12.581 19.648 -20.702 1.00 0.00 C ATOM 715 C CYS A 59 13.518 20.850 -20.746 1.00 0.00 C ATOM 716 O CYS A 59 14.359 20.970 -21.646 1.00 0.00 O ATOM 717 CB CYS A 59 13.187 18.538 -19.838 1.00 0.00 C ATOM 718 SG CYS A 59 13.812 19.090 -18.230 1.00 0.00 S ATOM 0 H CYS A 59 12.831 18.311 -22.290 1.00 0.00 H new ATOM 0 HA CYS A 59 11.640 19.975 -20.261 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.432 17.769 -19.675 1.00 0.00 H new ATOM 0 HB3 CYS A 59 14.003 18.071 -20.389 1.00 0.00 H new ATOM 723 N ASN A 60 13.365 21.743 -19.777 1.00 0.00 N ATOM 724 CA ASN A 60 14.208 22.926 -19.678 1.00 0.00 C ATOM 725 C ASN A 60 14.284 23.385 -18.218 1.00 0.00 C ATOM 726 O ASN A 60 14.476 24.569 -17.927 1.00 0.00 O ATOM 727 CB ASN A 60 13.650 24.050 -20.572 1.00 0.00 C ATOM 728 CG ASN A 60 14.715 25.058 -20.996 1.00 0.00 C ATOM 729 OD1 ASN A 60 15.398 24.864 -22.005 1.00 0.00 O ATOM 730 ND2 ASN A 60 14.857 26.133 -20.247 1.00 0.00 N ATOM 0 H ASN A 60 12.660 21.669 -19.044 1.00 0.00 H new ATOM 0 HA ASN A 60 15.213 22.682 -20.021 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.200 23.610 -21.462 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.856 24.572 -20.038 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.550 26.839 -20.495 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.274 26.259 -19.420 1.00 0.00 H new ATOM 737 N CYS A 61 14.138 22.425 -17.299 1.00 0.00 N ATOM 738 CA CYS A 61 14.176 22.708 -15.859 1.00 0.00 C ATOM 739 C CYS A 61 15.574 23.113 -15.390 1.00 0.00 C ATOM 740 O CYS A 61 16.481 23.323 -16.196 1.00 0.00 O ATOM 741 CB CYS A 61 13.686 21.497 -15.058 1.00 0.00 C ATOM 742 SG CYS A 61 11.897 21.311 -15.016 1.00 0.00 S ATOM 0 H CYS A 61 13.992 21.442 -17.527 1.00 0.00 H new ATOM 0 HA CYS A 61 13.509 23.551 -15.681 1.00 0.00 H new ATOM 0 HB2 CYS A 61 14.123 20.594 -15.483 1.00 0.00 H new ATOM 0 HB3 CYS A 61 14.055 21.579 -14.036 1.00 0.00 H new ATOM 747 N LYS A 62 15.743 23.204 -14.080 1.00 0.00 N ATOM 748 CA LYS A 62 17.003 23.620 -13.502 1.00 0.00 C ATOM 749 C LYS A 62 17.769 22.395 -13.023 1.00 0.00 C ATOM 750 O LYS A 62 18.677 21.920 -13.696 1.00 0.00 O ATOM 751 CB LYS A 62 16.759 24.594 -12.334 1.00 0.00 C ATOM 752 CG LYS A 62 16.028 25.888 -12.706 1.00 0.00 C ATOM 753 CD LYS A 62 16.993 27.051 -12.929 1.00 0.00 C ATOM 754 CE LYS A 62 17.915 26.786 -14.103 1.00 0.00 C ATOM 755 NZ LYS A 62 18.849 27.910 -14.353 1.00 0.00 N ATOM 0 H LYS A 62 15.016 22.993 -13.397 1.00 0.00 H new ATOM 0 HA LYS A 62 17.594 24.137 -14.259 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.183 24.078 -11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.721 24.853 -11.891 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.442 25.725 -13.611 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.326 26.147 -11.914 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.428 27.966 -13.107 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.585 27.213 -12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.487 25.877 -13.915 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.318 26.607 -14.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.458 27.681 -15.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.306 28.773 -14.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.439 28.065 -13.511 1.00 0.00 H new ATOM 769 N GLU A 63 17.365 21.870 -11.871 1.00 0.00 N ATOM 770 CA GLU A 63 17.980 20.678 -11.306 1.00 0.00 C ATOM 771 C GLU A 63 17.174 20.196 -10.103 1.00 0.00 C ATOM 772 O GLU A 63 17.014 19.013 -9.892 1.00 0.00 O ATOM 773 CB GLU A 63 19.440 20.944 -10.908 1.00 0.00 C ATOM 774 CG GLU A 63 20.245 19.684 -10.626 1.00 0.00 C ATOM 775 CD GLU A 63 21.716 19.968 -10.409 1.00 0.00 C ATOM 776 OE1 GLU A 63 22.154 20.004 -9.238 1.00 0.00 O ATOM 777 OE2 GLU A 63 22.442 20.158 -11.403 1.00 0.00 O ATOM 0 H GLU A 63 16.608 22.257 -11.308 1.00 0.00 H new ATOM 0 HA GLU A 63 17.981 19.897 -12.067 1.00 0.00 H new ATOM 0 HB2 GLU A 63 19.927 21.503 -11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.454 21.578 -10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.840 19.189 -9.743 1.00 0.00 H new ATOM 0 HG3 GLU A 63 20.132 18.991 -11.460 1.00 0.00 H new ATOM 784 N ASP A 64 16.638 21.130 -9.341 1.00 0.00 N ATOM 785 CA ASP A 64 15.839 20.805 -8.162 1.00 0.00 C ATOM 786 C ASP A 64 14.397 20.466 -8.531 1.00 0.00 C ATOM 787 O ASP A 64 13.454 20.930 -7.890 1.00 0.00 O ATOM 788 CB ASP A 64 15.870 21.976 -7.187 1.00 0.00 C ATOM 789 CG ASP A 64 17.146 22.023 -6.385 1.00 0.00 C ATOM 790 OD1 ASP A 64 17.368 21.118 -5.563 1.00 0.00 O ATOM 791 OD2 ASP A 64 17.945 22.958 -6.584 1.00 0.00 O ATOM 0 H ASP A 64 16.739 22.130 -9.515 1.00 0.00 H new ATOM 0 HA ASP A 64 16.272 19.922 -7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.757 22.909 -7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.020 21.903 -6.508 1.00 0.00 H new ATOM 796 N CYS A 65 14.232 19.650 -9.552 1.00 0.00 N ATOM 797 CA CYS A 65 12.913 19.241 -9.987 1.00 0.00 C ATOM 798 C CYS A 65 12.483 17.993 -9.244 1.00 0.00 C ATOM 799 O CYS A 65 13.271 17.054 -9.074 1.00 0.00 O ATOM 800 CB CYS A 65 12.883 18.989 -11.496 1.00 0.00 C ATOM 801 SG CYS A 65 11.273 18.427 -12.125 1.00 0.00 S ATOM 0 H CYS A 65 14.998 19.256 -10.098 1.00 0.00 H new ATOM 0 HA CYS A 65 12.217 20.050 -9.763 1.00 0.00 H new ATOM 0 HB2 CYS A 65 13.162 19.908 -12.012 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.638 18.243 -11.744 1.00 0.00 H new ATOM 806 N ARG A 66 11.238 17.985 -8.811 1.00 0.00 N ATOM 807 CA ARG A 66 10.683 16.870 -8.071 1.00 0.00 C ATOM 808 C ARG A 66 9.849 15.988 -8.989 1.00 0.00 C ATOM 809 O ARG A 66 9.045 15.181 -8.532 1.00 0.00 O ATOM 810 CB ARG A 66 9.821 17.390 -6.920 1.00 0.00 C ATOM 811 CG ARG A 66 10.600 18.147 -5.850 1.00 0.00 C ATOM 812 CD ARG A 66 9.662 18.868 -4.889 1.00 0.00 C ATOM 813 NE ARG A 66 8.962 19.988 -5.541 1.00 0.00 N ATOM 814 CZ ARG A 66 7.675 19.969 -5.921 1.00 0.00 C ATOM 815 NH1 ARG A 66 6.957 18.856 -5.807 1.00 0.00 N ATOM 816 NH2 ARG A 66 7.115 21.059 -6.432 1.00 0.00 N ATOM 0 H ARG A 66 10.583 18.752 -8.962 1.00 0.00 H new ATOM 0 HA ARG A 66 11.501 16.275 -7.665 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.050 18.046 -7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.310 16.548 -6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.229 17.451 -5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.265 18.869 -6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.930 18.161 -4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.231 19.242 -4.038 1.00 0.00 H new ATOM 0 HE ARG A 66 9.494 20.840 -5.717 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.384 18.010 -5.429 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.979 18.848 -6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.663 21.913 -6.536 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.137 21.042 -6.720 1.00 0.00 H new ATOM 830 N CYS A 67 10.042 16.153 -10.286 1.00 0.00 N ATOM 831 CA CYS A 67 9.302 15.388 -11.256 1.00 0.00 C ATOM 832 C CYS A 67 10.202 14.403 -11.969 1.00 0.00 C ATOM 833 O CYS A 67 11.147 14.787 -12.667 1.00 0.00 O ATOM 834 CB CYS A 67 8.645 16.303 -12.276 1.00 0.00 C ATOM 835 SG CYS A 67 7.319 15.524 -13.220 1.00 0.00 S ATOM 0 H CYS A 67 10.708 16.814 -10.686 1.00 0.00 H new ATOM 0 HA CYS A 67 8.529 14.837 -10.720 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.245 17.176 -11.760 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.406 16.663 -12.968 1.00 0.00 H new ATOM 840 N GLN A 68 9.902 13.140 -11.803 1.00 0.00 N ATOM 841 CA GLN A 68 10.656 12.087 -12.450 1.00 0.00 C ATOM 842 C GLN A 68 10.053 11.738 -13.795 1.00 0.00 C ATOM 843 O GLN A 68 10.477 10.791 -14.454 1.00 0.00 O ATOM 844 CB GLN A 68 10.777 10.836 -11.568 1.00 0.00 C ATOM 845 CG GLN A 68 9.469 10.306 -10.977 1.00 0.00 C ATOM 846 CD GLN A 68 8.955 11.156 -9.835 1.00 0.00 C ATOM 847 OE1 GLN A 68 9.467 11.091 -8.736 1.00 0.00 O ATOM 848 NE2 GLN A 68 7.886 11.891 -10.063 1.00 0.00 N ATOM 0 H GLN A 68 9.133 12.810 -11.220 1.00 0.00 H new ATOM 0 HA GLN A 68 11.664 12.468 -12.610 1.00 0.00 H new ATOM 0 HB2 GLN A 68 11.235 10.042 -12.158 1.00 0.00 H new ATOM 0 HB3 GLN A 68 11.460 11.058 -10.748 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.713 10.263 -11.761 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.622 9.286 -10.625 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.480 11.924 -10.998 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.464 12.427 -9.304 1.00 0.00 H new ATOM 857 N SER A 69 9.081 12.525 -14.210 1.00 0.00 N ATOM 858 CA SER A 69 8.432 12.321 -15.472 1.00 0.00 C ATOM 859 C SER A 69 9.276 12.916 -16.583 1.00 0.00 C ATOM 860 O SER A 69 9.253 12.442 -17.716 1.00 0.00 O ATOM 861 CB SER A 69 7.041 12.949 -15.445 1.00 0.00 C ATOM 862 OG SER A 69 6.277 12.414 -14.375 1.00 0.00 O ATOM 0 H SER A 69 8.726 13.319 -13.678 1.00 0.00 H new ATOM 0 HA SER A 69 8.322 11.253 -15.659 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.125 14.030 -15.335 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.533 12.764 -16.391 1.00 0.00 H new ATOM 0 HG SER A 69 6.261 13.054 -13.633 1.00 0.00 H new ATOM 868 N CYS A 70 10.044 13.949 -16.251 1.00 0.00 N ATOM 869 CA CYS A 70 10.903 14.569 -17.229 1.00 0.00 C ATOM 870 C CYS A 70 12.385 14.439 -16.859 1.00 0.00 C ATOM 871 O CYS A 70 13.255 14.600 -17.715 1.00 0.00 O ATOM 872 CB CYS A 70 10.511 16.028 -17.467 1.00 0.00 C ATOM 873 SG CYS A 70 10.603 17.096 -16.015 1.00 0.00 S ATOM 0 H CYS A 70 10.083 14.364 -15.320 1.00 0.00 H new ATOM 0 HA CYS A 70 10.762 14.030 -18.166 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.158 16.439 -18.242 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.492 16.055 -17.854 1.00 0.00 H new ATOM 878 N SER A 71 12.680 14.159 -15.583 1.00 0.00 N ATOM 879 CA SER A 71 14.073 13.939 -15.167 1.00 0.00 C ATOM 880 C SER A 71 14.639 12.687 -15.856 1.00 0.00 C ATOM 881 O SER A 71 13.874 11.843 -16.332 1.00 0.00 O ATOM 882 CB SER A 71 14.158 13.784 -13.653 1.00 0.00 C ATOM 883 OG SER A 71 13.454 12.639 -13.221 1.00 0.00 O ATOM 0 H SER A 71 11.991 14.080 -14.835 1.00 0.00 H new ATOM 0 HA SER A 71 14.664 14.805 -15.463 1.00 0.00 H new ATOM 0 HB2 SER A 71 15.202 13.709 -13.350 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.748 14.671 -13.170 1.00 0.00 H new ATOM 0 HG SER A 71 13.654 12.469 -12.277 1.00 0.00 H new ATOM 889 N THR A 72 15.962 12.556 -15.900 1.00 0.00 N ATOM 890 CA THR A 72 16.572 11.401 -16.569 1.00 0.00 C ATOM 891 C THR A 72 16.309 10.102 -15.806 1.00 0.00 C ATOM 892 O THR A 72 16.108 10.110 -14.574 1.00 0.00 O ATOM 893 CB THR A 72 18.099 11.591 -16.833 1.00 0.00 C ATOM 894 OG1 THR A 72 18.552 10.621 -17.783 1.00 0.00 O ATOM 895 CG2 THR A 72 18.910 11.438 -15.558 1.00 0.00 C ATOM 0 H THR A 72 16.623 13.217 -15.492 1.00 0.00 H new ATOM 0 HA THR A 72 16.088 11.327 -17.543 1.00 0.00 H new ATOM 0 HB THR A 72 18.242 12.600 -17.220 1.00 0.00 H new ATOM 0 HG1 THR A 72 19.510 10.746 -17.946 1.00 0.00 H new ATOM 0 HG21 THR A 72 19.968 11.577 -15.781 1.00 0.00 H new ATOM 0 HG22 THR A 72 18.591 12.186 -14.832 1.00 0.00 H new ATOM 0 HG23 THR A 72 18.754 10.441 -15.145 1.00 0.00 H new ATOM 903 N ALA A 73 16.301 8.997 -16.549 1.00 0.00 N ATOM 904 CA ALA A 73 15.999 7.683 -16.013 1.00 0.00 C ATOM 905 C ALA A 73 16.939 7.285 -14.890 1.00 0.00 C ATOM 906 O ALA A 73 18.164 7.316 -15.034 1.00 0.00 O ATOM 907 CB ALA A 73 16.025 6.642 -17.121 1.00 0.00 C ATOM 0 H ALA A 73 16.507 8.995 -17.548 1.00 0.00 H new ATOM 0 HA ALA A 73 14.996 7.732 -15.588 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.797 5.661 -16.704 1.00 0.00 H new ATOM 0 HB2 ALA A 73 15.282 6.897 -17.877 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.015 6.621 -17.577 1.00 0.00 H new ATOM 913 N CYS A 74 16.349 6.932 -13.775 1.00 0.00 N ATOM 914 CA CYS A 74 17.085 6.474 -12.606 1.00 0.00 C ATOM 915 C CYS A 74 17.664 5.087 -12.793 1.00 0.00 C ATOM 916 O CYS A 74 17.350 4.384 -13.755 1.00 0.00 O ATOM 917 CB CYS A 74 16.191 6.475 -11.376 1.00 0.00 C ATOM 918 SG CYS A 74 16.231 8.003 -10.467 1.00 0.00 S ATOM 0 H CYS A 74 15.338 6.952 -13.645 1.00 0.00 H new ATOM 0 HA CYS A 74 17.911 7.171 -12.469 1.00 0.00 H new ATOM 0 HB2 CYS A 74 15.165 6.271 -11.683 1.00 0.00 H new ATOM 0 HB3 CYS A 74 16.494 5.662 -10.717 1.00 0.00 H new ATOM 923 N LYS A 75 18.504 4.698 -11.845 1.00 0.00 N ATOM 924 CA LYS A 75 19.107 3.383 -11.843 1.00 0.00 C ATOM 925 C LYS A 75 18.274 2.433 -11.034 1.00 0.00 C ATOM 926 O LYS A 75 18.654 1.284 -10.807 1.00 0.00 O ATOM 927 CB LYS A 75 20.533 3.438 -11.302 1.00 0.00 C ATOM 928 CG LYS A 75 21.500 4.110 -12.246 1.00 0.00 C ATOM 929 CD LYS A 75 21.528 3.390 -13.580 1.00 0.00 C ATOM 930 CE LYS A 75 22.437 4.096 -14.574 1.00 0.00 C ATOM 931 NZ LYS A 75 23.841 4.165 -14.099 1.00 0.00 N ATOM 0 H LYS A 75 18.783 5.287 -11.060 1.00 0.00 H new ATOM 0 HA LYS A 75 19.150 3.024 -12.871 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.534 3.971 -10.351 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.878 2.424 -11.100 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.210 5.150 -12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.498 4.117 -11.809 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.871 2.366 -13.435 1.00 0.00 H new ATOM 0 HD3 LYS A 75 20.518 3.333 -13.986 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.404 3.572 -15.529 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.065 5.105 -14.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 24.453 4.498 -14.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.904 4.825 -13.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.151 3.220 -13.794 1.00 0.00 H new ATOM 945 N CYS A 76 17.138 2.909 -10.586 1.00 0.00 N ATOM 946 CA CYS A 76 16.246 2.081 -9.859 1.00 0.00 C ATOM 947 C CYS A 76 15.509 1.187 -10.830 1.00 0.00 C ATOM 948 O CYS A 76 14.678 1.648 -11.602 1.00 0.00 O ATOM 949 CB CYS A 76 15.251 2.907 -9.059 1.00 0.00 C ATOM 950 SG CYS A 76 15.987 4.219 -8.056 1.00 0.00 S ATOM 0 H CYS A 76 16.821 3.869 -10.719 1.00 0.00 H new ATOM 0 HA CYS A 76 16.821 1.480 -9.154 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.535 3.354 -9.748 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.690 2.240 -8.404 1.00 0.00 H new ATOM 955 N ALA A 77 15.845 -0.069 -10.805 1.00 0.00 N ATOM 956 CA ALA A 77 15.240 -1.057 -11.677 1.00 0.00 C ATOM 957 C ALA A 77 15.632 -2.445 -11.228 1.00 0.00 C ATOM 958 O ALA A 77 16.709 -2.630 -10.668 1.00 0.00 O ATOM 959 CB ALA A 77 15.672 -0.833 -13.124 1.00 0.00 C ATOM 0 H ALA A 77 16.552 -0.449 -10.176 1.00 0.00 H new ATOM 0 HA ALA A 77 14.156 -0.955 -11.621 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.208 -1.584 -13.763 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.361 0.160 -13.447 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.756 -0.915 -13.197 1.00 0.00 H new ATOM 965 N ALA A 78 14.734 -3.401 -11.428 1.00 0.00 N ATOM 966 CA ALA A 78 14.980 -4.814 -11.096 1.00 0.00 C ATOM 967 C ALA A 78 15.301 -5.028 -9.611 1.00 0.00 C ATOM 968 O ALA A 78 15.811 -6.076 -9.227 1.00 0.00 O ATOM 969 CB ALA A 78 16.096 -5.378 -11.971 1.00 0.00 C ATOM 0 H ALA A 78 13.811 -3.227 -11.825 1.00 0.00 H new ATOM 0 HA ALA A 78 14.055 -5.353 -11.298 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.267 -6.423 -11.714 1.00 0.00 H new ATOM 0 HB2 ALA A 78 15.808 -5.304 -13.020 1.00 0.00 H new ATOM 0 HB3 ALA A 78 17.011 -4.810 -11.805 1.00 0.00 H new ATOM 975 N GLY A 79 14.980 -4.046 -8.783 1.00 0.00 N ATOM 976 CA GLY A 79 15.256 -4.164 -7.366 1.00 0.00 C ATOM 977 C GLY A 79 16.475 -3.367 -6.936 1.00 0.00 C ATOM 978 O GLY A 79 16.846 -3.383 -5.770 1.00 0.00 O ATOM 0 H GLY A 79 14.535 -3.172 -9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.388 -3.824 -6.802 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.407 -5.214 -7.116 1.00 0.00 H new ATOM 982 N SER A 80 17.083 -2.648 -7.872 1.00 0.00 N ATOM 983 CA SER A 80 18.288 -1.867 -7.583 1.00 0.00 C ATOM 984 C SER A 80 17.947 -0.491 -6.967 1.00 0.00 C ATOM 985 O SER A 80 18.716 0.464 -7.074 1.00 0.00 O ATOM 986 CB SER A 80 19.113 -1.691 -8.861 1.00 0.00 C ATOM 987 OG SER A 80 20.444 -1.313 -8.559 1.00 0.00 O ATOM 0 H SER A 80 16.764 -2.587 -8.839 1.00 0.00 H new ATOM 0 HA SER A 80 18.875 -2.416 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.115 -2.622 -9.427 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.651 -0.934 -9.495 1.00 0.00 H new ATOM 0 HG SER A 80 20.436 -0.557 -7.935 1.00 0.00 H new ATOM 993 N CYS A 81 16.799 -0.400 -6.326 1.00 0.00 N ATOM 994 CA CYS A 81 16.395 0.808 -5.660 1.00 0.00 C ATOM 995 C CYS A 81 17.163 0.966 -4.336 1.00 0.00 C ATOM 996 O CYS A 81 17.042 0.126 -3.449 1.00 0.00 O ATOM 997 CB CYS A 81 14.904 0.735 -5.382 1.00 0.00 C ATOM 998 SG CYS A 81 14.322 1.936 -4.194 1.00 0.00 S ATOM 0 H CYS A 81 16.126 -1.163 -6.256 1.00 0.00 H new ATOM 0 HA CYS A 81 16.615 1.667 -6.294 1.00 0.00 H new ATOM 0 HB2 CYS A 81 14.364 0.875 -6.318 1.00 0.00 H new ATOM 0 HB3 CYS A 81 14.661 -0.264 -5.021 1.00 0.00 H new ATOM 1003 N LYS A 82 17.959 2.029 -4.202 1.00 0.00 N ATOM 1004 CA LYS A 82 18.696 2.241 -2.953 1.00 0.00 C ATOM 1005 C LYS A 82 18.415 3.606 -2.326 1.00 0.00 C ATOM 1006 O LYS A 82 19.215 4.109 -1.541 1.00 0.00 O ATOM 1007 CB LYS A 82 20.227 2.011 -3.102 1.00 0.00 C ATOM 1008 CG LYS A 82 20.964 2.929 -4.084 1.00 0.00 C ATOM 1009 CD LYS A 82 20.907 2.385 -5.496 1.00 0.00 C ATOM 1010 CE LYS A 82 21.991 2.975 -6.395 1.00 0.00 C ATOM 1011 NZ LYS A 82 21.877 4.453 -6.557 1.00 0.00 N ATOM 0 H LYS A 82 18.108 2.738 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 82 18.319 1.479 -2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.686 2.123 -2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 82 20.388 0.979 -3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.520 3.924 -4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 82 22.004 3.035 -3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.013 1.301 -5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.928 2.599 -5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 82 22.970 2.736 -5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 82 21.938 2.503 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.639 4.794 -7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 20.956 4.686 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.956 4.911 -5.627 1.00 0.00 H new ATOM 1025 N CYS A 83 17.278 4.202 -2.658 1.00 0.00 N ATOM 1026 CA CYS A 83 16.911 5.465 -2.034 1.00 0.00 C ATOM 1027 C CYS A 83 15.968 5.211 -0.865 1.00 0.00 C ATOM 1028 O CYS A 83 15.915 5.993 0.083 1.00 0.00 O ATOM 1029 CB CYS A 83 16.273 6.426 -3.035 1.00 0.00 C ATOM 1030 SG CYS A 83 14.644 5.927 -3.606 1.00 0.00 S ATOM 0 H CYS A 83 16.609 3.843 -3.339 1.00 0.00 H new ATOM 0 HA CYS A 83 17.823 5.936 -1.666 1.00 0.00 H new ATOM 0 HB2 CYS A 83 16.198 7.412 -2.577 1.00 0.00 H new ATOM 0 HB3 CYS A 83 16.933 6.525 -3.897 1.00 0.00 H new ATOM 1035 N GLY A 84 15.231 4.103 -0.936 1.00 0.00 N ATOM 1036 CA GLY A 84 14.336 3.741 0.142 1.00 0.00 C ATOM 1037 C GLY A 84 12.877 3.720 -0.270 1.00 0.00 C ATOM 1038 O GLY A 84 12.026 3.247 0.481 1.00 0.00 O ATOM 0 H GLY A 84 15.241 3.453 -1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.614 2.757 0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.464 4.446 0.963 1.00 0.00 H new ATOM 1042 N LYS A 85 12.581 4.218 -1.460 1.00 0.00 N ATOM 1043 CA LYS A 85 11.198 4.279 -1.929 1.00 0.00 C ATOM 1044 C LYS A 85 10.692 2.927 -2.397 1.00 0.00 C ATOM 1045 O LYS A 85 9.485 2.687 -2.408 1.00 0.00 O ATOM 1046 CB LYS A 85 11.043 5.307 -3.051 1.00 0.00 C ATOM 1047 CG LYS A 85 11.395 6.723 -2.639 1.00 0.00 C ATOM 1048 CD LYS A 85 10.541 7.200 -1.472 1.00 0.00 C ATOM 1049 CE LYS A 85 9.092 7.421 -1.874 1.00 0.00 C ATOM 1050 NZ LYS A 85 8.285 7.936 -0.739 1.00 0.00 N ATOM 0 H LYS A 85 13.270 4.584 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 85 10.593 4.587 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.676 5.015 -3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.013 5.288 -3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.448 6.770 -2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.258 7.393 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.585 6.466 -0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.953 8.129 -1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.047 8.127 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.665 6.483 -2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.302 8.076 -1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.309 7.251 0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.679 8.843 -0.416 1.00 0.00 H new ATOM 1064 N GLY A 86 11.611 2.050 -2.783 1.00 0.00 N ATOM 1065 CA GLY A 86 11.220 0.744 -3.286 1.00 0.00 C ATOM 1066 C GLY A 86 10.355 0.878 -4.515 1.00 0.00 C ATOM 1067 O GLY A 86 9.348 0.189 -4.662 1.00 0.00 O ATOM 0 H GLY A 86 12.617 2.218 -2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.109 0.160 -3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.678 0.199 -2.513 1.00 0.00 H new ATOM 1071 N CYS A 87 10.757 1.769 -5.401 1.00 0.00 N ATOM 1072 CA CYS A 87 9.976 2.074 -6.585 1.00 0.00 C ATOM 1073 C CYS A 87 10.482 1.296 -7.782 1.00 0.00 C ATOM 1074 O CYS A 87 9.697 0.764 -8.564 1.00 0.00 O ATOM 1075 CB CYS A 87 10.017 3.578 -6.856 1.00 0.00 C ATOM 1076 SG CYS A 87 11.671 4.284 -6.791 1.00 0.00 S ATOM 0 H CYS A 87 11.626 2.298 -5.322 1.00 0.00 H new ATOM 0 HA CYS A 87 8.942 1.775 -6.411 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.588 3.772 -7.839 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.386 4.086 -6.127 1.00 0.00 H new ATOM 1081 N THR A 88 11.803 1.226 -7.907 1.00 0.00 N ATOM 1082 CA THR A 88 12.469 0.494 -8.983 1.00 0.00 C ATOM 1083 C THR A 88 11.949 0.892 -10.366 1.00 0.00 C ATOM 1084 O THR A 88 11.434 0.064 -11.115 1.00 0.00 O ATOM 1085 CB THR A 88 12.388 -1.048 -8.792 1.00 0.00 C ATOM 1086 OG1 THR A 88 11.025 -1.486 -8.740 1.00 0.00 O ATOM 1087 CG2 THR A 88 13.084 -1.456 -7.508 1.00 0.00 C ATOM 0 H THR A 88 12.449 1.679 -7.260 1.00 0.00 H new ATOM 0 HA THR A 88 13.519 0.779 -8.927 1.00 0.00 H new ATOM 0 HB THR A 88 12.882 -1.515 -9.644 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.438 -0.765 -9.050 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.020 -2.537 -7.387 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.131 -1.157 -7.551 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.602 -0.967 -6.662 1.00 0.00 H new ATOM 1095 N GLY A 89 12.075 2.164 -10.681 1.00 0.00 N ATOM 1096 CA GLY A 89 11.659 2.646 -11.979 1.00 0.00 C ATOM 1097 C GLY A 89 11.303 4.112 -11.951 1.00 0.00 C ATOM 1098 O GLY A 89 10.720 4.578 -10.982 1.00 0.00 O ATOM 0 H GLY A 89 12.459 2.877 -10.061 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.459 2.481 -12.700 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.799 2.071 -12.321 1.00 0.00 H new ATOM 1102 N PRO A 90 11.621 4.868 -13.017 1.00 0.00 N ATOM 1103 CA PRO A 90 11.360 6.313 -13.070 1.00 0.00 C ATOM 1104 C PRO A 90 9.867 6.635 -13.095 1.00 0.00 C ATOM 1105 O PRO A 90 9.458 7.736 -12.762 1.00 0.00 O ATOM 1106 CB PRO A 90 12.031 6.752 -14.376 1.00 0.00 C ATOM 1107 CG PRO A 90 12.080 5.521 -15.210 1.00 0.00 C ATOM 1108 CD PRO A 90 12.251 4.374 -14.256 1.00 0.00 C ATOM 0 HA PRO A 90 11.743 6.828 -12.189 1.00 0.00 H new ATOM 0 HB2 PRO A 90 11.462 7.541 -14.868 1.00 0.00 H new ATOM 0 HB3 PRO A 90 13.031 7.147 -14.194 1.00 0.00 H new ATOM 0 HG2 PRO A 90 11.166 5.409 -15.793 1.00 0.00 H new ATOM 0 HG3 PRO A 90 12.907 5.564 -15.919 1.00 0.00 H new ATOM 0 HD2 PRO A 90 11.764 3.470 -14.622 1.00 0.00 H new ATOM 0 HD3 PRO A 90 13.302 4.131 -14.104 1.00 0.00 H new ATOM 1116 N ASP A 91 9.060 5.658 -13.485 1.00 0.00 N ATOM 1117 CA ASP A 91 7.614 5.837 -13.528 1.00 0.00 C ATOM 1118 C ASP A 91 7.009 5.591 -12.158 1.00 0.00 C ATOM 1119 O ASP A 91 5.906 6.041 -11.864 1.00 0.00 O ATOM 1120 CB ASP A 91 6.978 4.884 -14.543 1.00 0.00 C ATOM 1121 CG ASP A 91 7.438 5.134 -15.960 1.00 0.00 C ATOM 1122 OD1 ASP A 91 8.302 4.368 -16.454 1.00 0.00 O ATOM 1123 OD2 ASP A 91 6.941 6.088 -16.592 1.00 0.00 O ATOM 0 H ASP A 91 9.381 4.734 -13.776 1.00 0.00 H new ATOM 0 HA ASP A 91 7.413 6.864 -13.833 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.215 3.857 -14.266 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.894 4.984 -14.496 1.00 0.00 H new ATOM 1128 N SER A 92 7.739 4.875 -11.324 1.00 0.00 N ATOM 1129 CA SER A 92 7.269 4.537 -9.997 1.00 0.00 C ATOM 1130 C SER A 92 7.953 5.405 -8.943 1.00 0.00 C ATOM 1131 O SER A 92 7.509 5.465 -7.783 1.00 0.00 O ATOM 1132 CB SER A 92 7.523 3.053 -9.719 1.00 0.00 C ATOM 1133 OG SER A 92 7.003 2.662 -8.459 1.00 0.00 O ATOM 0 H SER A 92 8.667 4.514 -11.546 1.00 0.00 H new ATOM 0 HA SER A 92 6.197 4.728 -9.946 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.066 2.452 -10.505 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.594 2.855 -9.749 1.00 0.00 H new ATOM 0 HG SER A 92 7.181 1.709 -8.313 1.00 0.00 H new ATOM 1139 N CYS A 93 9.036 6.061 -9.348 1.00 0.00 N ATOM 1140 CA CYS A 93 9.796 6.938 -8.470 1.00 0.00 C ATOM 1141 C CYS A 93 8.905 8.094 -8.010 1.00 0.00 C ATOM 1142 O CYS A 93 7.978 8.490 -8.720 1.00 0.00 O ATOM 1143 CB CYS A 93 11.038 7.480 -9.218 1.00 0.00 C ATOM 1144 SG CYS A 93 12.603 7.332 -8.321 1.00 0.00 S ATOM 0 H CYS A 93 9.410 5.998 -10.295 1.00 0.00 H new ATOM 0 HA CYS A 93 10.132 6.379 -7.596 1.00 0.00 H new ATOM 0 HB2 CYS A 93 11.130 6.952 -10.167 1.00 0.00 H new ATOM 0 HB3 CYS A 93 10.871 8.531 -9.453 1.00 0.00 H new ATOM 1149 N LYS A 94 9.157 8.594 -6.815 1.00 0.00 N ATOM 1150 CA LYS A 94 8.400 9.728 -6.267 1.00 0.00 C ATOM 1151 C LYS A 94 9.325 10.633 -5.455 1.00 0.00 C ATOM 1152 O LYS A 94 9.101 10.863 -4.263 1.00 0.00 O ATOM 1153 CB LYS A 94 7.240 9.244 -5.376 1.00 0.00 C ATOM 1154 CG LYS A 94 6.047 8.677 -6.133 1.00 0.00 C ATOM 1155 CD LYS A 94 4.968 8.151 -5.180 1.00 0.00 C ATOM 1156 CE LYS A 94 5.419 6.873 -4.482 1.00 0.00 C ATOM 1157 NZ LYS A 94 5.710 5.782 -5.454 1.00 0.00 N ATOM 0 H LYS A 94 9.883 8.237 -6.194 1.00 0.00 H new ATOM 0 HA LYS A 94 7.983 10.288 -7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.617 8.480 -4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.900 10.078 -4.762 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.622 9.450 -6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.380 7.870 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.736 8.912 -4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.051 7.959 -5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.310 7.078 -3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.644 6.545 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.814 4.882 -4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.927 5.706 -6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.592 5.996 -5.962 1.00 0.00 H new ATOM 1171 N CYS A 95 10.357 11.129 -6.098 1.00 0.00 N ATOM 1172 CA CYS A 95 11.335 11.975 -5.447 1.00 0.00 C ATOM 1173 C CYS A 95 12.004 12.915 -6.454 1.00 0.00 C ATOM 1174 O CYS A 95 11.654 12.924 -7.637 1.00 0.00 O ATOM 1175 CB CYS A 95 12.371 11.107 -4.721 1.00 0.00 C ATOM 1176 SG CYS A 95 12.699 9.512 -5.519 1.00 0.00 S ATOM 0 H CYS A 95 10.544 10.959 -7.086 1.00 0.00 H new ATOM 0 HA CYS A 95 10.828 12.598 -4.710 1.00 0.00 H new ATOM 0 HB2 CYS A 95 13.306 11.663 -4.648 1.00 0.00 H new ATOM 0 HB3 CYS A 95 12.027 10.927 -3.703 1.00 0.00 H new ATOM 1181 N ASP A 96 12.949 13.722 -5.981 1.00 0.00 N ATOM 1182 CA ASP A 96 13.646 14.661 -6.852 1.00 0.00 C ATOM 1183 C ASP A 96 14.779 13.979 -7.593 1.00 0.00 C ATOM 1184 O ASP A 96 15.115 12.829 -7.324 1.00 0.00 O ATOM 1185 CB ASP A 96 14.180 15.860 -6.067 1.00 0.00 C ATOM 1186 CG ASP A 96 15.185 15.463 -5.019 1.00 0.00 C ATOM 1187 OD1 ASP A 96 16.389 15.466 -5.318 1.00 0.00 O ATOM 1188 OD2 ASP A 96 14.774 15.146 -3.888 1.00 0.00 O ATOM 0 H ASP A 96 13.248 13.745 -5.006 1.00 0.00 H new ATOM 0 HA ASP A 96 12.921 15.024 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 96 14.640 16.566 -6.758 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.348 16.377 -5.590 1.00 0.00 H new ATOM 1193 N ARG A 97 15.394 14.707 -8.500 1.00 0.00 N ATOM 1194 CA ARG A 97 16.435 14.137 -9.347 1.00 0.00 C ATOM 1195 C ARG A 97 17.812 14.224 -8.707 1.00 0.00 C ATOM 1196 O ARG A 97 18.827 14.061 -9.386 1.00 0.00 O ATOM 1197 CB ARG A 97 16.456 14.822 -10.708 1.00 0.00 C ATOM 1198 CG ARG A 97 16.976 16.251 -10.687 1.00 0.00 C ATOM 1199 CD ARG A 97 17.024 16.853 -12.089 1.00 0.00 C ATOM 1200 NE ARG A 97 15.679 16.972 -12.683 1.00 0.00 N ATOM 1201 CZ ARG A 97 15.443 17.379 -13.940 1.00 0.00 C ATOM 1202 NH1 ARG A 97 16.460 17.691 -14.735 1.00 0.00 N ATOM 1203 NH2 ARG A 97 14.188 17.475 -14.393 1.00 0.00 N ATOM 0 H ARG A 97 15.196 15.692 -8.674 1.00 0.00 H new ATOM 0 HA ARG A 97 16.194 13.082 -9.475 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.074 14.234 -11.387 1.00 0.00 H new ATOM 0 HB3 ARG A 97 15.445 14.823 -11.116 1.00 0.00 H new ATOM 0 HG2 ARG A 97 16.337 16.862 -10.050 1.00 0.00 H new ATOM 0 HG3 ARG A 97 17.974 16.269 -10.248 1.00 0.00 H new ATOM 0 HD2 ARG A 97 17.490 17.837 -12.046 1.00 0.00 H new ATOM 0 HD3 ARG A 97 17.650 16.232 -12.730 1.00 0.00 H new ATOM 0 HE ARG A 97 14.877 16.729 -12.101 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.417 17.621 -14.390 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.284 18.001 -15.691 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.406 17.238 -13.782 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.013 17.785 -15.349 1.00 0.00 H new ATOM 1217 N SER A 98 17.855 14.464 -7.426 1.00 0.00 N ATOM 1218 CA SER A 98 19.111 14.556 -6.735 1.00 0.00 C ATOM 1219 C SER A 98 19.062 13.715 -5.458 1.00 0.00 C ATOM 1220 O SER A 98 19.884 13.875 -4.549 1.00 0.00 O ATOM 1221 CB SER A 98 19.411 16.025 -6.429 1.00 0.00 C ATOM 1222 OG SER A 98 20.802 16.250 -6.259 1.00 0.00 O ATOM 0 H SER A 98 17.033 14.600 -6.838 1.00 0.00 H new ATOM 0 HA SER A 98 19.913 14.165 -7.360 1.00 0.00 H new ATOM 0 HB2 SER A 98 19.037 16.650 -7.240 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.880 16.325 -5.525 1.00 0.00 H new ATOM 0 HG SER A 98 20.959 17.198 -6.066 1.00 0.00 H new ATOM 1228 N CYS A 99 18.100 12.793 -5.416 1.00 0.00 N ATOM 1229 CA CYS A 99 17.916 11.910 -4.275 1.00 0.00 C ATOM 1230 C CYS A 99 19.072 10.896 -4.184 1.00 0.00 C ATOM 1231 O CYS A 99 19.988 10.917 -5.006 1.00 0.00 O ATOM 1232 CB CYS A 99 16.567 11.185 -4.389 1.00 0.00 C ATOM 1233 SG CYS A 99 16.039 10.337 -2.879 1.00 0.00 S ATOM 0 H CYS A 99 17.431 12.641 -6.171 1.00 0.00 H new ATOM 0 HA CYS A 99 17.918 12.507 -3.363 1.00 0.00 H new ATOM 0 HB2 CYS A 99 15.802 11.909 -4.670 1.00 0.00 H new ATOM 0 HB3 CYS A 99 16.628 10.456 -5.197 1.00 0.00 H new ATOM 1238 N SER A 100 19.012 10.011 -3.197 1.00 0.00 N ATOM 1239 CA SER A 100 20.071 9.029 -2.967 1.00 0.00 C ATOM 1240 C SER A 100 20.241 8.075 -4.161 1.00 0.00 C ATOM 1241 O SER A 100 21.318 7.512 -4.368 1.00 0.00 O ATOM 1242 CB SER A 100 19.790 8.232 -1.684 1.00 0.00 C ATOM 1243 OG SER A 100 20.906 7.433 -1.316 1.00 0.00 O ATOM 0 H SER A 100 18.236 9.951 -2.537 1.00 0.00 H new ATOM 0 HA SER A 100 21.006 9.578 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.549 8.919 -0.873 1.00 0.00 H new ATOM 0 HB3 SER A 100 18.918 7.595 -1.833 1.00 0.00 H new ATOM 0 HG SER A 100 20.698 6.939 -0.496 1.00 0.00 H new ATOM 1249 N CYS A 101 19.189 7.896 -4.940 1.00 0.00 N ATOM 1250 CA CYS A 101 19.252 7.026 -6.099 1.00 0.00 C ATOM 1251 C CYS A 101 20.026 7.690 -7.238 1.00 0.00 C ATOM 1252 O CYS A 101 20.674 7.012 -8.036 1.00 0.00 O ATOM 1253 CB CYS A 101 17.851 6.652 -6.543 1.00 0.00 C ATOM 1254 SG CYS A 101 16.714 8.039 -6.547 1.00 0.00 S ATOM 0 H CYS A 101 18.283 8.341 -4.791 1.00 0.00 H new ATOM 0 HA CYS A 101 19.785 6.116 -5.823 1.00 0.00 H new ATOM 0 HB2 CYS A 101 17.897 6.226 -7.545 1.00 0.00 H new ATOM 0 HB3 CYS A 101 17.464 5.875 -5.884 1.00 0.00 H new ATOM 1259 N LYS A 102 19.959 9.013 -7.299 1.00 0.00 N ATOM 1260 CA LYS A 102 20.682 9.783 -8.304 1.00 0.00 C ATOM 1261 C LYS A 102 22.092 10.113 -7.829 1.00 0.00 C ATOM 1262 O LYS A 102 22.241 11.100 -7.048 1.00 0.00 O ATOM 1263 CB LYS A 102 19.917 11.063 -8.639 1.00 0.00 C ATOM 1264 CG LYS A 102 18.829 10.870 -9.678 1.00 0.00 C ATOM 1265 CD LYS A 102 19.412 10.882 -11.083 1.00 0.00 C ATOM 1266 CE LYS A 102 18.429 10.318 -12.105 1.00 0.00 C ATOM 1267 NZ LYS A 102 17.124 11.036 -12.105 1.00 0.00 N ATOM 0 H LYS A 102 19.405 9.581 -6.657 1.00 0.00 H new ATOM 0 HA LYS A 102 20.764 9.176 -9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 102 19.470 11.457 -7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 102 20.621 11.813 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 102 18.315 9.925 -9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 102 18.085 11.660 -9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.678 11.903 -11.358 1.00 0.00 H new ATOM 0 HD3 LYS A 102 20.332 10.297 -11.101 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.871 10.377 -13.099 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.258 9.262 -11.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 16.602 10.807 -12.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.566 10.741 -11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.292 12.061 -12.061 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 15.374 6.909 -8.328 1.00 0.00 CD HETATM 1283 CD CD A 202 14.153 4.114 -5.644 1.00 0.00 CD HETATM 1284 CD CD A 203 14.963 8.418 -4.655 1.00 0.00 CD HETATM 1285 CD CD A 204 7.986 17.548 -15.088 1.00 0.00 CD HETATM 1286 CD CD A 205 10.204 20.518 -13.102 1.00 0.00 CD HETATM 1287 CD CD A 206 11.529 19.512 -16.943 1.00 0.00 CD HETATM 1288 CD CD A 207 7.877 25.625 4.449 1.00 0.00 CD HETATM 1289 CD CD A 208 5.635 27.207 1.474 1.00 0.00 CD HETATM 1290 CD CD A 209 7.526 23.419 0.896 1.00 0.00 CD