USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=33 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 68 GLN : amide:sc= 0.875 K(o=0.49,f=-4.4) USER MOD Set 1.2: A 71 SER OG : rot 125:sc= -0.388! USER MOD Set 2.1: A 12 THR OG1 : rot -127:sc= 0.123 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0.232 USER MOD Single : A 1 GLY N :NH3+ -172:sc= -0.113 (180deg=-0.172) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -128:sc= -0.197 (180deg=-0.541) 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 18 THR OG1 : rot 46:sc= 0.231 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.287 F(o=-1.2,f=-0.29) USER MOD Single : A 36 SER OG : rot 108:sc= 0.672 USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= -0.0463 (180deg=-0.331) USER MOD Single : A 39 TYR OH : rot -170:sc= 1.25 USER MOD Single : A 44 THR OG1 : rot 170:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 136:sc= 0.333 (180deg=0.0439) USER MOD Single : A 49 GLN :FLIP amide:sc= -2.17 F(o=-3.2!,f=-2.2) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00977 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -58:sc= -0.627 USER MOD Single : A 60 ASN : amide:sc= -2.44! C(o=-2.4!,f=-2.6!) USER MOD Single : A 62 THR OG1 : rot 126:sc= 1.16 USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= -0.0363 (180deg=-0.249) USER MOD Single : A 69 SER OG : rot 160:sc= -0.162 USER MOD Single : A 72 THR OG1 : rot -110:sc= -3.5! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.0231 (180deg=-0.215) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -0.26 (180deg=-0.658) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0.0876 USER MOD Single : A 102 LYS NZ :NH3+ -147:sc= 1.03 (180deg=0.438) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.145 -20.355 -17.239 1.00 0.00 N ATOM 2 CA GLY A 1 2.194 -19.342 -17.543 1.00 0.00 C ATOM 3 C GLY A 1 2.027 -18.076 -16.731 1.00 0.00 C ATOM 4 O GLY A 1 2.951 -17.261 -16.645 1.00 0.00 O ATOM 0 H1 GLY A 1 1.378 -21.250 -17.715 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.101 -20.511 -16.212 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.223 -20.012 -17.577 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.177 -19.770 -17.345 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.161 -19.096 -18.604 1.00 0.00 H new ATOM 7 N SER A 2 0.841 -17.909 -16.137 1.00 0.00 N ATOM 8 CA SER A 2 0.522 -16.739 -15.321 1.00 0.00 C ATOM 9 C SER A 2 0.550 -15.462 -16.166 1.00 0.00 C ATOM 10 O SER A 2 0.772 -14.366 -15.656 1.00 0.00 O ATOM 11 CB SER A 2 1.507 -16.629 -14.147 1.00 0.00 C ATOM 12 OG SER A 2 1.526 -17.832 -13.390 1.00 0.00 O ATOM 0 H SER A 2 0.078 -18.582 -16.210 1.00 0.00 H new ATOM 0 HA SER A 2 -0.486 -16.860 -14.924 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.507 -16.416 -14.524 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.224 -15.795 -13.505 1.00 0.00 H new ATOM 0 HG SER A 2 2.160 -17.742 -12.649 1.00 0.00 H new ATOM 18 N MET A 3 0.301 -15.612 -17.455 1.00 0.00 N ATOM 19 CA MET A 3 0.329 -14.488 -18.368 1.00 0.00 C ATOM 20 C MET A 3 -1.040 -14.222 -18.959 1.00 0.00 C ATOM 21 O MET A 3 -1.414 -14.809 -19.975 1.00 0.00 O ATOM 22 CB MET A 3 1.352 -14.717 -19.486 1.00 0.00 C ATOM 23 CG MET A 3 2.787 -14.804 -18.994 1.00 0.00 C ATOM 24 SD MET A 3 3.312 -13.311 -18.130 1.00 0.00 S ATOM 25 CE MET A 3 3.268 -12.114 -19.462 1.00 0.00 C ATOM 0 H MET A 3 0.077 -16.506 -17.892 1.00 0.00 H new ATOM 0 HA MET A 3 0.628 -13.610 -17.795 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.101 -15.638 -20.012 1.00 0.00 H new ATOM 0 HB3 MET A 3 1.274 -13.905 -20.209 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.888 -15.660 -18.327 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.448 -14.981 -19.842 1.00 0.00 H new ATOM 0 HE1 MET A 3 4.221 -11.588 -19.510 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.089 -12.627 -20.407 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.467 -11.397 -19.281 1.00 0.00 H new ATOM 35 N SER A 4 -1.794 -13.355 -18.307 1.00 0.00 N ATOM 36 CA SER A 4 -3.109 -12.974 -18.791 1.00 0.00 C ATOM 37 C SER A 4 -2.966 -12.049 -19.994 1.00 0.00 C ATOM 38 O SER A 4 -3.792 -12.058 -20.905 1.00 0.00 O ATOM 39 CB SER A 4 -3.891 -12.286 -17.677 1.00 0.00 C ATOM 40 OG SER A 4 -3.969 -13.120 -16.533 1.00 0.00 O ATOM 0 H SER A 4 -1.517 -12.900 -17.437 1.00 0.00 H new ATOM 0 HA SER A 4 -3.655 -13.866 -19.099 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.409 -11.344 -17.415 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.895 -12.044 -18.026 1.00 0.00 H new ATOM 0 HG SER A 4 -4.473 -12.662 -15.828 1.00 0.00 H new ATOM 46 N SER A 5 -1.910 -11.262 -19.984 1.00 0.00 N ATOM 47 CA SER A 5 -1.602 -10.372 -21.073 1.00 0.00 C ATOM 48 C SER A 5 -0.161 -10.610 -21.511 1.00 0.00 C ATOM 49 O SER A 5 0.781 -10.340 -20.760 1.00 0.00 O ATOM 50 CB SER A 5 -1.811 -8.910 -20.650 1.00 0.00 C ATOM 51 OG SER A 5 -1.705 -8.033 -21.759 1.00 0.00 O ATOM 0 H SER A 5 -1.241 -11.225 -19.215 1.00 0.00 H new ATOM 0 HA SER A 5 -2.271 -10.571 -21.910 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.792 -8.799 -20.189 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.072 -8.638 -19.896 1.00 0.00 H new ATOM 0 HG SER A 5 -1.844 -7.110 -21.461 1.00 0.00 H new ATOM 57 N VAL A 6 0.000 -11.143 -22.699 1.00 0.00 N ATOM 58 CA VAL A 6 1.314 -11.465 -23.230 1.00 0.00 C ATOM 59 C VAL A 6 1.970 -10.226 -23.838 1.00 0.00 C ATOM 60 O VAL A 6 1.323 -9.449 -24.538 1.00 0.00 O ATOM 61 CB VAL A 6 1.219 -12.586 -24.296 1.00 0.00 C ATOM 62 CG1 VAL A 6 2.584 -12.904 -24.886 1.00 0.00 C ATOM 63 CG2 VAL A 6 0.592 -13.839 -23.697 1.00 0.00 C ATOM 0 H VAL A 6 -0.771 -11.367 -23.328 1.00 0.00 H new ATOM 0 HA VAL A 6 1.929 -11.820 -22.403 1.00 0.00 H new ATOM 0 HB VAL A 6 0.581 -12.227 -25.104 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.484 -13.694 -25.630 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.993 -12.011 -25.358 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.255 -13.235 -24.093 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.533 -14.616 -24.459 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.204 -14.191 -22.867 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.410 -13.608 -23.336 1.00 0.00 H new ATOM 73 N PHE A 7 3.244 -10.041 -23.553 1.00 0.00 N ATOM 74 CA PHE A 7 3.985 -8.907 -24.072 1.00 0.00 C ATOM 75 C PHE A 7 4.678 -9.277 -25.378 1.00 0.00 C ATOM 76 O PHE A 7 4.475 -10.371 -25.906 1.00 0.00 O ATOM 77 CB PHE A 7 5.008 -8.414 -23.043 1.00 0.00 C ATOM 78 CG PHE A 7 4.390 -7.895 -21.775 1.00 0.00 C ATOM 79 CD1 PHE A 7 4.280 -8.705 -20.656 1.00 0.00 C ATOM 80 CD2 PHE A 7 3.913 -6.595 -21.705 1.00 0.00 C ATOM 81 CE1 PHE A 7 3.708 -8.229 -19.491 1.00 0.00 C ATOM 82 CE2 PHE A 7 3.341 -6.113 -20.544 1.00 0.00 C ATOM 83 CZ PHE A 7 3.238 -6.932 -19.436 1.00 0.00 C ATOM 0 H PHE A 7 3.791 -10.666 -22.961 1.00 0.00 H new ATOM 0 HA PHE A 7 3.281 -8.098 -24.270 1.00 0.00 H new ATOM 0 HB2 PHE A 7 5.686 -9.232 -22.798 1.00 0.00 H new ATOM 0 HB3 PHE A 7 5.610 -7.624 -23.492 1.00 0.00 H new ATOM 0 HD1 PHE A 7 4.646 -9.721 -20.695 1.00 0.00 H new ATOM 0 HD2 PHE A 7 3.990 -5.951 -22.569 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.629 -8.870 -18.626 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.975 -5.098 -20.502 1.00 0.00 H new ATOM 0 HZ PHE A 7 2.790 -6.558 -18.527 1.00 0.00 H new ATOM 93 N GLY A 8 5.476 -8.363 -25.903 1.00 0.00 N ATOM 94 CA GLY A 8 6.190 -8.623 -27.135 1.00 0.00 C ATOM 95 C GLY A 8 5.285 -8.569 -28.346 1.00 0.00 C ATOM 96 O GLY A 8 5.081 -7.510 -28.927 1.00 0.00 O ATOM 0 H GLY A 8 5.643 -7.442 -25.497 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.990 -7.892 -27.250 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.660 -9.605 -27.079 1.00 0.00 H new ATOM 100 N ALA A 9 4.731 -9.709 -28.717 1.00 0.00 N ATOM 101 CA ALA A 9 3.851 -9.799 -29.872 1.00 0.00 C ATOM 102 C ALA A 9 2.502 -10.382 -29.478 1.00 0.00 C ATOM 103 O ALA A 9 1.717 -10.800 -30.332 1.00 0.00 O ATOM 104 CB ALA A 9 4.497 -10.642 -30.957 1.00 0.00 C ATOM 0 H ALA A 9 4.876 -10.594 -28.231 1.00 0.00 H new ATOM 0 HA ALA A 9 3.686 -8.794 -30.260 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.829 -10.703 -31.817 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.439 -10.185 -31.260 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.687 -11.645 -30.574 1.00 0.00 H new ATOM 110 N GLY A 10 2.231 -10.388 -28.185 1.00 0.00 N ATOM 111 CA GLY A 10 0.986 -10.926 -27.679 1.00 0.00 C ATOM 112 C GLY A 10 -0.154 -9.946 -27.797 1.00 0.00 C ATOM 113 O GLY A 10 -0.689 -9.482 -26.795 1.00 0.00 O ATOM 0 H GLY A 10 2.859 -10.025 -27.467 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.738 -11.836 -28.226 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.113 -11.207 -26.634 1.00 0.00 H new ATOM 117 N CYS A 11 -0.509 -9.623 -29.019 1.00 0.00 N ATOM 118 CA CYS A 11 -1.587 -8.684 -29.290 1.00 0.00 C ATOM 119 C CYS A 11 -2.963 -9.280 -28.956 1.00 0.00 C ATOM 120 O CYS A 11 -3.066 -10.362 -28.369 1.00 0.00 O ATOM 121 CB CYS A 11 -1.536 -8.243 -30.748 1.00 0.00 C ATOM 122 SG CYS A 11 -1.600 -9.595 -31.932 1.00 0.00 S ATOM 0 H CYS A 11 -0.063 -10.000 -29.856 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.446 -7.817 -28.645 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.369 -7.567 -30.940 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.620 -7.675 -30.912 1.00 0.00 H new ATOM 127 N THR A 12 -4.009 -8.571 -29.344 1.00 0.00 N ATOM 128 CA THR A 12 -5.368 -8.981 -29.054 1.00 0.00 C ATOM 129 C THR A 12 -5.870 -10.000 -30.078 1.00 0.00 C ATOM 130 O THR A 12 -5.348 -10.093 -31.194 1.00 0.00 O ATOM 131 CB THR A 12 -6.320 -7.759 -29.033 1.00 0.00 C ATOM 132 OG1 THR A 12 -7.651 -8.172 -28.705 1.00 0.00 O ATOM 133 CG2 THR A 12 -6.323 -7.051 -30.387 1.00 0.00 C ATOM 0 H THR A 12 -3.939 -7.698 -29.867 1.00 0.00 H new ATOM 0 HA THR A 12 -5.363 -9.448 -28.069 1.00 0.00 H new ATOM 0 HB THR A 12 -5.961 -7.064 -28.274 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.273 -7.843 -29.387 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.998 -6.196 -30.349 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.315 -6.707 -30.620 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.658 -7.744 -31.159 1.00 0.00 H new ATOM 141 N ASP A 13 -6.894 -10.753 -29.698 1.00 0.00 N ATOM 142 CA ASP A 13 -7.492 -11.743 -30.584 1.00 0.00 C ATOM 143 C ASP A 13 -8.233 -11.053 -31.721 1.00 0.00 C ATOM 144 O ASP A 13 -8.397 -11.611 -32.804 1.00 0.00 O ATOM 145 CB ASP A 13 -8.449 -12.656 -29.816 1.00 0.00 C ATOM 146 CG ASP A 13 -9.144 -13.661 -30.717 1.00 0.00 C ATOM 147 OD1 ASP A 13 -10.279 -13.389 -31.158 1.00 0.00 O ATOM 148 OD2 ASP A 13 -8.558 -14.733 -30.988 1.00 0.00 O ATOM 0 H ASP A 13 -7.330 -10.696 -28.777 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.691 -12.355 -30.999 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.896 -13.188 -29.043 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.199 -12.048 -29.310 1.00 0.00 H new ATOM 153 N THR A 14 -8.647 -9.821 -31.479 1.00 0.00 N ATOM 154 CA THR A 14 -9.378 -9.042 -32.462 1.00 0.00 C ATOM 155 C THR A 14 -8.521 -8.759 -33.710 1.00 0.00 C ATOM 156 O THR A 14 -9.029 -8.310 -34.747 1.00 0.00 O ATOM 157 CB THR A 14 -9.843 -7.718 -31.847 1.00 0.00 C ATOM 158 OG1 THR A 14 -10.137 -7.924 -30.457 1.00 0.00 O ATOM 159 CG2 THR A 14 -11.090 -7.227 -32.548 1.00 0.00 C ATOM 0 H THR A 14 -8.486 -9.334 -30.597 1.00 0.00 H new ATOM 0 HA THR A 14 -10.244 -9.628 -32.769 1.00 0.00 H new ATOM 0 HB THR A 14 -9.053 -6.975 -31.959 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.434 -7.080 -30.057 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.411 -6.286 -32.102 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.876 -7.074 -33.606 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.883 -7.968 -32.442 1.00 0.00 H new ATOM 167 N CYS A 15 -7.234 -9.041 -33.605 1.00 0.00 N ATOM 168 CA CYS A 15 -6.316 -8.846 -34.704 1.00 0.00 C ATOM 169 C CYS A 15 -6.239 -10.103 -35.566 1.00 0.00 C ATOM 170 O CYS A 15 -5.785 -10.067 -36.705 1.00 0.00 O ATOM 171 CB CYS A 15 -4.939 -8.515 -34.163 1.00 0.00 C ATOM 172 SG CYS A 15 -3.752 -8.015 -35.426 1.00 0.00 S ATOM 0 H CYS A 15 -6.801 -9.410 -32.758 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.676 -8.022 -35.319 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.032 -7.714 -33.429 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.548 -9.386 -33.637 1.00 0.00 H new ATOM 177 N LYS A 16 -6.713 -11.216 -35.020 1.00 0.00 N ATOM 178 CA LYS A 16 -6.664 -12.496 -35.726 1.00 0.00 C ATOM 179 C LYS A 16 -7.826 -12.596 -36.715 1.00 0.00 C ATOM 180 O LYS A 16 -8.075 -13.658 -37.289 1.00 0.00 O ATOM 181 CB LYS A 16 -6.760 -13.670 -34.728 1.00 0.00 C ATOM 182 CG LYS A 16 -6.010 -13.467 -33.407 1.00 0.00 C ATOM 183 CD LYS A 16 -4.516 -13.306 -33.592 1.00 0.00 C ATOM 184 CE LYS A 16 -3.875 -14.504 -34.280 1.00 0.00 C ATOM 185 NZ LYS A 16 -2.409 -14.314 -34.462 1.00 0.00 N ATOM 0 H LYS A 16 -7.135 -11.261 -34.093 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.716 -12.551 -36.261 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.812 -13.852 -34.506 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.376 -14.569 -35.211 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.405 -12.585 -32.903 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.200 -14.319 -32.754 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.322 -12.408 -34.179 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.048 -13.158 -32.619 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.055 -15.402 -33.690 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.345 -14.661 -35.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.007 -15.149 -34.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.238 -13.471 -35.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.957 -14.189 -33.534 1.00 0.00 H new ATOM 199 N GLN A 17 -8.533 -11.488 -36.908 1.00 0.00 N ATOM 200 CA GLN A 17 -9.714 -11.484 -37.748 1.00 0.00 C ATOM 201 C GLN A 17 -9.370 -11.084 -39.173 1.00 0.00 C ATOM 202 O GLN A 17 -8.316 -10.503 -39.430 1.00 0.00 O ATOM 203 CB GLN A 17 -10.760 -10.521 -37.193 1.00 0.00 C ATOM 204 CG GLN A 17 -10.929 -10.563 -35.682 1.00 0.00 C ATOM 205 CD GLN A 17 -11.243 -11.942 -35.139 1.00 0.00 C ATOM 206 OE1 GLN A 17 -10.234 -12.636 -34.664 1.00 0.00 O flip ATOM 207 NE2 GLN A 17 -12.404 -12.349 -35.098 1.00 0.00 N flip ATOM 0 H GLN A 17 -8.305 -10.585 -36.493 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.118 -12.496 -37.754 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.491 -9.506 -37.486 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.721 -10.743 -37.658 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.015 -10.198 -35.213 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.729 -9.880 -35.396 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.158 -11.778 -35.479 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.612 -13.257 -34.683 1.00 0.00 H new ATOM 216 N THR A 18 -10.271 -11.385 -40.087 1.00 0.00 N ATOM 217 CA THR A 18 -10.091 -11.055 -41.494 1.00 0.00 C ATOM 218 C THR A 18 -11.414 -10.587 -42.121 1.00 0.00 C ATOM 219 O THR A 18 -12.270 -11.410 -42.444 1.00 0.00 O ATOM 220 CB THR A 18 -9.560 -12.274 -42.289 1.00 0.00 C ATOM 221 OG1 THR A 18 -10.316 -13.447 -41.943 1.00 0.00 O ATOM 222 CG2 THR A 18 -8.081 -12.517 -42.010 1.00 0.00 C ATOM 0 H THR A 18 -11.147 -11.864 -39.880 1.00 0.00 H new ATOM 0 HA THR A 18 -9.360 -10.248 -41.545 1.00 0.00 H new ATOM 0 HB THR A 18 -9.675 -12.060 -43.352 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.273 -13.235 -41.954 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.739 -13.379 -42.583 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.507 -11.637 -42.301 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.938 -12.709 -40.947 1.00 0.00 H new ATOM 230 N PRO A 19 -11.613 -9.257 -42.294 1.00 0.00 N ATOM 231 CA PRO A 19 -10.631 -8.225 -41.894 1.00 0.00 C ATOM 232 C PRO A 19 -10.586 -8.014 -40.370 1.00 0.00 C ATOM 233 O PRO A 19 -11.441 -8.530 -39.643 1.00 0.00 O ATOM 234 CB PRO A 19 -11.159 -6.964 -42.588 1.00 0.00 C ATOM 235 CG PRO A 19 -12.634 -7.181 -42.699 1.00 0.00 C ATOM 236 CD PRO A 19 -12.826 -8.659 -42.915 1.00 0.00 C ATOM 0 HA PRO A 19 -9.613 -8.498 -42.172 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.933 -6.069 -42.008 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.703 -6.832 -43.569 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.145 -6.850 -41.795 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.050 -6.609 -43.528 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.739 -9.019 -42.442 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.898 -8.905 -43.975 1.00 0.00 H new ATOM 244 N CYS A 20 -9.582 -7.261 -39.898 1.00 0.00 N ATOM 245 CA CYS A 20 -9.416 -6.982 -38.471 1.00 0.00 C ATOM 246 C CYS A 20 -10.673 -6.393 -37.863 1.00 0.00 C ATOM 247 O CYS A 20 -11.371 -5.602 -38.494 1.00 0.00 O ATOM 248 CB CYS A 20 -8.253 -6.020 -38.242 1.00 0.00 C ATOM 249 SG CYS A 20 -6.624 -6.768 -38.380 1.00 0.00 S ATOM 0 H CYS A 20 -8.871 -6.834 -40.491 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.208 -7.934 -37.984 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.326 -5.205 -38.962 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.353 -5.579 -37.250 1.00 0.00 H new ATOM 254 N GLY A 21 -10.951 -6.774 -36.635 1.00 0.00 N ATOM 255 CA GLY A 21 -12.114 -6.258 -35.959 1.00 0.00 C ATOM 256 C GLY A 21 -11.772 -5.089 -35.062 1.00 0.00 C ATOM 257 O GLY A 21 -12.642 -4.551 -34.377 1.00 0.00 O ATOM 0 H GLY A 21 -10.392 -7.432 -36.092 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.854 -5.946 -36.696 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.570 -7.050 -35.365 1.00 0.00 H new ATOM 261 N CYS A 22 -10.496 -4.704 -35.058 1.00 0.00 N ATOM 262 CA CYS A 22 -10.021 -3.606 -34.224 1.00 0.00 C ATOM 263 C CYS A 22 -10.659 -2.291 -34.617 1.00 0.00 C ATOM 264 O CYS A 22 -11.439 -1.721 -33.868 1.00 0.00 O ATOM 265 CB CYS A 22 -8.504 -3.444 -34.336 1.00 0.00 C ATOM 266 SG CYS A 22 -7.550 -4.933 -34.024 1.00 0.00 S ATOM 0 H CYS A 22 -9.771 -5.141 -35.627 1.00 0.00 H new ATOM 0 HA CYS A 22 -10.298 -3.857 -33.200 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -8.266 -3.083 -35.337 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.184 -2.673 -33.634 1.00 0.00 H new ATOM 271 N GLY A 23 -10.316 -1.822 -35.800 1.00 0.00 N ATOM 272 CA GLY A 23 -10.755 -0.524 -36.240 1.00 0.00 C ATOM 273 C GLY A 23 -9.702 0.505 -35.913 1.00 0.00 C ATOM 274 O GLY A 23 -9.084 1.080 -36.804 1.00 0.00 O ATOM 0 H GLY A 23 -9.734 -2.325 -36.470 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.943 -0.537 -37.314 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.695 -0.263 -35.755 1.00 0.00 H new ATOM 278 N SER A 24 -9.481 0.709 -34.628 1.00 0.00 N ATOM 279 CA SER A 24 -8.450 1.612 -34.151 1.00 0.00 C ATOM 280 C SER A 24 -8.178 1.365 -32.671 1.00 0.00 C ATOM 281 O SER A 24 -7.044 1.492 -32.200 1.00 0.00 O ATOM 282 CB SER A 24 -8.851 3.069 -34.388 1.00 0.00 C ATOM 283 OG SER A 24 -10.079 3.371 -33.746 1.00 0.00 O ATOM 0 H SER A 24 -10.011 0.253 -33.885 1.00 0.00 H new ATOM 0 HA SER A 24 -7.536 1.418 -34.712 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.069 3.730 -34.014 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.941 3.255 -35.458 1.00 0.00 H new ATOM 0 HG SER A 24 -10.313 4.308 -33.911 1.00 0.00 H new ATOM 289 N GLY A 25 -9.225 0.996 -31.946 1.00 0.00 N ATOM 290 CA GLY A 25 -9.096 0.721 -30.533 1.00 0.00 C ATOM 291 C GLY A 25 -8.663 -0.703 -30.269 1.00 0.00 C ATOM 292 O GLY A 25 -9.436 -1.513 -29.759 1.00 0.00 O ATOM 0 H GLY A 25 -10.168 0.882 -32.317 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.371 1.407 -30.095 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.050 0.907 -30.039 1.00 0.00 H new ATOM 296 N CYS A 26 -7.439 -1.010 -30.626 1.00 0.00 N ATOM 297 CA CYS A 26 -6.893 -2.336 -30.429 1.00 0.00 C ATOM 298 C CYS A 26 -5.923 -2.354 -29.263 1.00 0.00 C ATOM 299 O CYS A 26 -5.430 -1.307 -28.835 1.00 0.00 O ATOM 300 CB CYS A 26 -6.171 -2.782 -31.684 1.00 0.00 C ATOM 301 SG CYS A 26 -5.088 -1.521 -32.394 1.00 0.00 S ATOM 0 H CYS A 26 -6.793 -0.351 -31.060 1.00 0.00 H new ATOM 0 HA CYS A 26 -7.717 -3.016 -30.211 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.579 -3.668 -31.455 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.909 -3.076 -32.431 1.00 0.00 H new ATOM 306 N ASN A 27 -5.649 -3.539 -28.754 1.00 0.00 N ATOM 307 CA ASN A 27 -4.683 -3.710 -27.678 1.00 0.00 C ATOM 308 C ASN A 27 -3.520 -4.570 -28.173 1.00 0.00 C ATOM 309 O ASN A 27 -3.115 -5.541 -27.535 1.00 0.00 O ATOM 310 CB ASN A 27 -5.346 -4.345 -26.446 1.00 0.00 C ATOM 311 CG ASN A 27 -4.435 -4.354 -25.224 1.00 0.00 C ATOM 312 OD1 ASN A 27 -3.556 -3.498 -25.079 1.00 0.00 O ATOM 313 ND2 ASN A 27 -4.645 -5.309 -24.334 1.00 0.00 N ATOM 0 H ASN A 27 -6.084 -4.406 -29.069 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.302 -2.733 -27.381 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.259 -3.799 -26.209 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.638 -5.368 -26.683 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.071 -5.357 -23.492 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.381 -5.998 -24.489 1.00 0.00 H new ATOM 320 N CYS A 28 -2.998 -4.211 -29.329 1.00 0.00 N ATOM 321 CA CYS A 28 -1.888 -4.929 -29.921 1.00 0.00 C ATOM 322 C CYS A 28 -0.574 -4.435 -29.348 1.00 0.00 C ATOM 323 O CYS A 28 -0.437 -3.254 -29.023 1.00 0.00 O ATOM 324 CB CYS A 28 -1.908 -4.775 -31.439 1.00 0.00 C ATOM 325 SG CYS A 28 -3.389 -5.459 -32.218 1.00 0.00 S ATOM 0 H CYS A 28 -3.329 -3.419 -29.881 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.988 -5.988 -29.682 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.832 -3.717 -31.689 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.029 -5.265 -31.857 1.00 0.00 H new ATOM 330 N LYS A 29 0.387 -5.337 -29.208 1.00 0.00 N ATOM 331 CA LYS A 29 1.672 -4.974 -28.647 1.00 0.00 C ATOM 332 C LYS A 29 2.475 -4.107 -29.625 1.00 0.00 C ATOM 333 O LYS A 29 2.223 -4.116 -30.828 1.00 0.00 O ATOM 334 CB LYS A 29 2.470 -6.217 -28.247 1.00 0.00 C ATOM 335 CG LYS A 29 1.724 -7.198 -27.329 1.00 0.00 C ATOM 336 CD LYS A 29 1.074 -6.507 -26.130 1.00 0.00 C ATOM 337 CE LYS A 29 2.081 -5.710 -25.321 1.00 0.00 C ATOM 338 NZ LYS A 29 1.435 -4.938 -24.234 1.00 0.00 N ATOM 0 H LYS A 29 0.299 -6.318 -29.474 1.00 0.00 H new ATOM 0 HA LYS A 29 1.486 -4.388 -27.747 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.769 -6.745 -29.152 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.385 -5.898 -27.747 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.957 -7.716 -27.905 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.421 -7.956 -26.972 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.282 -5.844 -26.479 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.605 -7.255 -25.490 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.820 -6.388 -24.894 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.617 -5.028 -25.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.159 -4.409 -23.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.748 -4.273 -24.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.945 -5.590 -23.589 1.00 0.00 H new ATOM 352 N GLU A 30 3.446 -3.384 -29.091 1.00 0.00 N ATOM 353 CA GLU A 30 4.267 -2.435 -29.863 1.00 0.00 C ATOM 354 C GLU A 30 5.096 -3.106 -30.975 1.00 0.00 C ATOM 355 O GLU A 30 5.617 -2.431 -31.862 1.00 0.00 O ATOM 356 CB GLU A 30 5.180 -1.663 -28.910 1.00 0.00 C ATOM 357 CG GLU A 30 6.083 -2.553 -28.068 1.00 0.00 C ATOM 358 CD GLU A 30 6.729 -1.808 -26.927 1.00 0.00 C ATOM 359 OE1 GLU A 30 6.124 -1.750 -25.840 1.00 0.00 O ATOM 360 OE2 GLU A 30 7.842 -1.271 -27.108 1.00 0.00 O ATOM 0 H GLU A 30 3.697 -3.432 -28.103 1.00 0.00 H new ATOM 0 HA GLU A 30 3.582 -1.754 -30.368 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.799 -0.978 -29.490 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.566 -1.054 -28.247 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.500 -3.384 -27.671 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.858 -2.982 -28.703 1.00 0.00 H new ATOM 367 N ASP A 31 5.216 -4.418 -30.925 1.00 0.00 N ATOM 368 CA ASP A 31 5.975 -5.156 -31.941 1.00 0.00 C ATOM 369 C ASP A 31 5.087 -5.495 -33.143 1.00 0.00 C ATOM 370 O ASP A 31 5.561 -5.977 -34.170 1.00 0.00 O ATOM 371 CB ASP A 31 6.566 -6.434 -31.323 1.00 0.00 C ATOM 372 CG ASP A 31 7.250 -7.348 -32.329 1.00 0.00 C ATOM 373 OD1 ASP A 31 6.650 -8.382 -32.697 1.00 0.00 O ATOM 374 OD2 ASP A 31 8.395 -7.054 -32.735 1.00 0.00 O ATOM 0 H ASP A 31 4.803 -5.002 -30.198 1.00 0.00 H new ATOM 0 HA ASP A 31 6.791 -4.527 -32.296 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.286 -6.154 -30.554 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.769 -6.988 -30.827 1.00 0.00 H new ATOM 379 N CYS A 32 3.805 -5.210 -33.019 1.00 0.00 N ATOM 380 CA CYS A 32 2.852 -5.529 -34.064 1.00 0.00 C ATOM 381 C CYS A 32 2.977 -4.554 -35.243 1.00 0.00 C ATOM 382 O CYS A 32 2.858 -3.337 -35.079 1.00 0.00 O ATOM 383 CB CYS A 32 1.430 -5.515 -33.501 1.00 0.00 C ATOM 384 SG CYS A 32 0.201 -6.303 -34.558 1.00 0.00 S ATOM 0 H CYS A 32 3.398 -4.756 -32.201 1.00 0.00 H new ATOM 0 HA CYS A 32 3.073 -6.530 -34.435 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.431 -6.014 -32.532 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.132 -4.481 -33.327 1.00 0.00 H new ATOM 389 N ARG A 33 3.220 -5.102 -36.427 1.00 0.00 N ATOM 390 CA ARG A 33 3.364 -4.312 -37.640 1.00 0.00 C ATOM 391 C ARG A 33 2.239 -4.633 -38.605 1.00 0.00 C ATOM 392 O ARG A 33 2.463 -5.158 -39.696 1.00 0.00 O ATOM 393 CB ARG A 33 4.717 -4.581 -38.313 1.00 0.00 C ATOM 394 CG ARG A 33 5.918 -4.069 -37.538 1.00 0.00 C ATOM 395 CD ARG A 33 5.948 -2.550 -37.503 1.00 0.00 C ATOM 396 NE ARG A 33 5.948 -1.969 -38.849 1.00 0.00 N ATOM 397 CZ ARG A 33 6.891 -1.153 -39.325 1.00 0.00 C ATOM 398 NH1 ARG A 33 7.950 -0.844 -38.587 1.00 0.00 N ATOM 399 NH2 ARG A 33 6.774 -0.653 -40.545 1.00 0.00 N ATOM 0 H ARG A 33 3.323 -6.106 -36.572 1.00 0.00 H new ATOM 0 HA ARG A 33 3.318 -3.258 -37.367 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.827 -5.655 -38.462 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.715 -4.121 -39.301 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.889 -4.458 -36.520 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.834 -4.442 -37.995 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.083 -2.183 -36.950 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.835 -2.217 -36.965 1.00 0.00 H new ATOM 0 HE ARG A 33 5.171 -2.205 -39.466 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.048 -1.231 -37.648 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.666 -0.220 -38.959 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.965 -0.892 -41.118 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.493 -0.029 -40.912 1.00 0.00 H new ATOM 413 N CYS A 34 1.032 -4.345 -38.190 1.00 0.00 N ATOM 414 CA CYS A 34 -0.123 -4.608 -39.015 1.00 0.00 C ATOM 415 C CYS A 34 -0.731 -3.302 -39.507 1.00 0.00 C ATOM 416 O CYS A 34 -1.388 -2.603 -38.751 1.00 0.00 O ATOM 417 CB CYS A 34 -1.162 -5.403 -38.226 1.00 0.00 C ATOM 418 SG CYS A 34 -2.111 -6.565 -39.223 1.00 0.00 S ATOM 0 H CYS A 34 0.821 -3.927 -37.284 1.00 0.00 H new ATOM 0 HA CYS A 34 0.192 -5.194 -39.878 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.657 -5.951 -37.431 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.849 -4.706 -37.746 1.00 0.00 H new ATOM 423 N GLN A 35 -0.514 -2.977 -40.785 1.00 0.00 N ATOM 424 CA GLN A 35 -1.050 -1.734 -41.377 1.00 0.00 C ATOM 425 C GLN A 35 -2.576 -1.719 -41.388 1.00 0.00 C ATOM 426 O GLN A 35 -3.201 -0.704 -41.726 1.00 0.00 O ATOM 427 CB GLN A 35 -0.521 -1.531 -42.791 1.00 0.00 C ATOM 428 CG GLN A 35 0.930 -1.097 -42.847 1.00 0.00 C ATOM 429 CD GLN A 35 1.169 0.219 -42.127 1.00 0.00 C ATOM 430 OE1 GLN A 35 1.531 0.144 -40.862 1.00 0.00 O flip ATOM 431 NE2 GLN A 35 1.044 1.294 -42.713 1.00 0.00 N flip ATOM 0 H GLN A 35 0.026 -3.551 -41.433 1.00 0.00 H new ATOM 0 HA GLN A 35 -0.709 -0.912 -40.748 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.634 -2.461 -43.348 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.134 -0.783 -43.294 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.555 -1.871 -42.401 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.237 -0.999 -43.888 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.762 1.311 -43.693 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.223 2.168 -42.219 1.00 0.00 H new ATOM 440 N SER A 36 -3.164 -2.842 -41.043 1.00 0.00 N ATOM 441 CA SER A 36 -4.593 -2.957 -40.943 1.00 0.00 C ATOM 442 C SER A 36 -5.113 -2.016 -39.855 1.00 0.00 C ATOM 443 O SER A 36 -5.988 -1.181 -40.106 1.00 0.00 O ATOM 444 CB SER A 36 -4.964 -4.401 -40.615 1.00 0.00 C ATOM 445 OG SER A 36 -4.251 -5.300 -41.448 1.00 0.00 O ATOM 0 H SER A 36 -2.659 -3.701 -40.824 1.00 0.00 H new ATOM 0 HA SER A 36 -5.049 -2.679 -41.893 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.741 -4.611 -39.569 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.036 -4.546 -40.748 1.00 0.00 H new ATOM 0 HG SER A 36 -3.565 -5.760 -40.921 1.00 0.00 H new ATOM 451 N CYS A 37 -4.538 -2.136 -38.666 1.00 0.00 N ATOM 452 CA CYS A 37 -4.931 -1.327 -37.522 1.00 0.00 C ATOM 453 C CYS A 37 -3.870 -0.266 -37.182 1.00 0.00 C ATOM 454 O CYS A 37 -4.166 0.738 -36.532 1.00 0.00 O ATOM 455 CB CYS A 37 -5.178 -2.244 -36.331 1.00 0.00 C ATOM 456 SG CYS A 37 -4.006 -3.619 -36.231 1.00 0.00 S ATOM 0 H CYS A 37 -3.787 -2.797 -38.468 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.846 -0.790 -37.771 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.120 -1.659 -35.413 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.191 -2.643 -36.392 1.00 0.00 H new ATOM 461 N LYS A 38 -2.646 -0.482 -37.643 1.00 0.00 N ATOM 462 CA LYS A 38 -1.559 0.442 -37.396 1.00 0.00 C ATOM 463 C LYS A 38 -1.514 1.454 -38.512 1.00 0.00 C ATOM 464 O LYS A 38 -0.679 1.392 -39.410 1.00 0.00 O ATOM 465 CB LYS A 38 -0.211 -0.303 -37.265 1.00 0.00 C ATOM 466 CG LYS A 38 0.905 0.456 -36.517 1.00 0.00 C ATOM 467 CD LYS A 38 1.693 1.424 -37.413 1.00 0.00 C ATOM 468 CE LYS A 38 1.150 2.843 -37.340 1.00 0.00 C ATOM 469 NZ LYS A 38 1.366 3.455 -36.005 1.00 0.00 N ATOM 0 H LYS A 38 -2.384 -1.299 -38.195 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.732 0.956 -36.450 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.388 -1.248 -36.752 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.148 -0.545 -38.265 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.464 1.015 -35.692 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.595 -0.266 -36.080 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.741 1.422 -37.114 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.655 1.075 -38.445 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.633 3.455 -38.102 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.084 2.835 -37.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.337 4.491 -36.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.619 3.140 -35.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.293 3.163 -35.635 1.00 0.00 H new ATOM 483 N TYR A 39 -2.460 2.331 -38.480 1.00 0.00 N ATOM 484 CA TYR A 39 -2.532 3.424 -39.422 1.00 0.00 C ATOM 485 C TYR A 39 -2.820 4.719 -38.686 1.00 0.00 C ATOM 486 O TYR A 39 -2.948 4.732 -37.462 1.00 0.00 O ATOM 487 CB TYR A 39 -3.602 3.177 -40.502 1.00 0.00 C ATOM 488 CG TYR A 39 -5.023 3.145 -39.976 1.00 0.00 C ATOM 489 CD1 TYR A 39 -5.855 4.244 -40.125 1.00 0.00 C ATOM 490 CD2 TYR A 39 -5.530 2.024 -39.335 1.00 0.00 C ATOM 491 CE1 TYR A 39 -7.146 4.231 -39.652 1.00 0.00 C ATOM 492 CE2 TYR A 39 -6.825 2.003 -38.856 1.00 0.00 C ATOM 493 CZ TYR A 39 -7.629 3.111 -39.018 1.00 0.00 C ATOM 494 OH TYR A 39 -8.922 3.095 -38.552 1.00 0.00 O ATOM 0 H TYR A 39 -3.218 2.319 -37.797 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.568 3.497 -39.925 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.525 3.958 -41.259 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.389 2.230 -40.998 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.482 5.127 -40.622 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.902 1.154 -39.209 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.778 5.097 -39.778 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.206 1.124 -38.357 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.059 2.301 -37.994 1.00 0.00 H new ATOM 504 N GLY A 40 -2.927 5.788 -39.430 1.00 0.00 N ATOM 505 CA GLY A 40 -3.189 7.078 -38.854 1.00 0.00 C ATOM 506 C GLY A 40 -2.517 8.146 -39.654 1.00 0.00 C ATOM 507 O GLY A 40 -1.285 8.268 -39.613 1.00 0.00 O ATOM 0 H GLY A 40 -2.836 5.789 -40.446 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.263 7.259 -38.822 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.831 7.104 -37.825 1.00 0.00 H new ATOM 511 N ALA A 41 -3.315 8.907 -40.403 1.00 0.00 N ATOM 512 CA ALA A 41 -2.804 9.938 -41.296 1.00 0.00 C ATOM 513 C ALA A 41 -1.956 9.301 -42.384 1.00 0.00 C ATOM 514 O ALA A 41 -0.903 9.817 -42.760 1.00 0.00 O ATOM 515 CB ALA A 41 -2.012 10.979 -40.521 1.00 0.00 C ATOM 0 H ALA A 41 -4.332 8.824 -40.405 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.645 10.449 -41.766 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.640 11.739 -41.208 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.657 11.447 -39.777 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.171 10.499 -40.022 1.00 0.00 H new ATOM 521 N GLY A 42 -2.428 8.171 -42.883 1.00 0.00 N ATOM 522 CA GLY A 42 -1.711 7.462 -43.911 1.00 0.00 C ATOM 523 C GLY A 42 -2.624 6.734 -44.865 1.00 0.00 C ATOM 524 O GLY A 42 -2.837 7.188 -45.987 1.00 0.00 O ATOM 0 H GLY A 42 -3.301 7.732 -42.590 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.096 8.167 -44.471 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.033 6.746 -43.447 1.00 0.00 H new ATOM 528 N CYS A 43 -3.178 5.611 -44.428 1.00 0.00 N ATOM 529 CA CYS A 43 -4.038 4.825 -45.292 1.00 0.00 C ATOM 530 C CYS A 43 -5.438 5.446 -45.383 1.00 0.00 C ATOM 531 O CYS A 43 -5.771 6.365 -44.630 1.00 0.00 O ATOM 532 CB CYS A 43 -4.109 3.384 -44.799 1.00 0.00 C ATOM 533 SG CYS A 43 -4.413 2.171 -46.110 1.00 0.00 S ATOM 0 H CYS A 43 -3.048 5.230 -43.491 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.611 4.823 -46.295 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.173 3.136 -44.298 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.900 3.304 -44.054 1.00 0.00 H new ATOM 538 N THR A 44 -6.249 4.937 -46.292 1.00 0.00 N ATOM 539 CA THR A 44 -7.575 5.482 -46.530 1.00 0.00 C ATOM 540 C THR A 44 -8.614 4.906 -45.564 1.00 0.00 C ATOM 541 O THR A 44 -8.395 3.859 -44.946 1.00 0.00 O ATOM 542 CB THR A 44 -8.017 5.219 -47.980 1.00 0.00 C ATOM 543 OG1 THR A 44 -7.974 3.810 -48.250 1.00 0.00 O ATOM 544 CG2 THR A 44 -7.103 5.946 -48.954 1.00 0.00 C ATOM 0 H THR A 44 -6.011 4.140 -46.883 1.00 0.00 H new ATOM 0 HA THR A 44 -7.513 6.557 -46.358 1.00 0.00 H new ATOM 0 HB THR A 44 -9.035 5.588 -48.106 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.405 3.629 -49.111 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.429 5.749 -49.975 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.144 7.018 -48.760 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.080 5.593 -48.826 1.00 0.00 H new ATOM 552 N ASP A 45 -9.750 5.594 -45.451 1.00 0.00 N ATOM 553 CA ASP A 45 -10.831 5.169 -44.562 1.00 0.00 C ATOM 554 C ASP A 45 -11.621 4.036 -45.178 1.00 0.00 C ATOM 555 O ASP A 45 -12.128 3.173 -44.469 1.00 0.00 O ATOM 556 CB ASP A 45 -11.789 6.327 -44.255 1.00 0.00 C ATOM 557 CG ASP A 45 -11.158 7.443 -43.457 1.00 0.00 C ATOM 558 OD1 ASP A 45 -10.698 8.431 -44.072 1.00 0.00 O ATOM 559 OD2 ASP A 45 -11.138 7.354 -42.215 1.00 0.00 O ATOM 0 H ASP A 45 -9.946 6.452 -45.967 1.00 0.00 H new ATOM 0 HA ASP A 45 -10.367 4.832 -43.635 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -12.167 6.732 -45.194 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.648 5.940 -43.706 1.00 0.00 H new ATOM 564 N VAL A 46 -11.718 4.044 -46.507 1.00 0.00 N ATOM 565 CA VAL A 46 -12.465 3.017 -47.240 1.00 0.00 C ATOM 566 C VAL A 46 -11.908 1.630 -46.950 1.00 0.00 C ATOM 567 O VAL A 46 -12.644 0.646 -46.881 1.00 0.00 O ATOM 568 CB VAL A 46 -12.434 3.275 -48.771 1.00 0.00 C ATOM 569 CG1 VAL A 46 -13.208 2.213 -49.513 1.00 0.00 C ATOM 570 CG2 VAL A 46 -12.998 4.642 -49.092 1.00 0.00 C ATOM 0 H VAL A 46 -11.288 4.752 -47.102 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.499 3.068 -46.899 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.394 3.237 -49.095 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.171 2.417 -50.583 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.768 1.236 -49.314 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.245 2.218 -49.178 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.968 4.804 -50.169 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.030 4.701 -48.745 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -12.403 5.407 -48.593 1.00 0.00 H new ATOM 580 N CYS A 47 -10.620 1.570 -46.757 1.00 0.00 N ATOM 581 CA CYS A 47 -9.952 0.325 -46.477 1.00 0.00 C ATOM 582 C CYS A 47 -10.221 -0.134 -45.035 1.00 0.00 C ATOM 583 O CYS A 47 -10.110 -1.308 -44.710 1.00 0.00 O ATOM 584 CB CYS A 47 -8.462 0.499 -46.710 1.00 0.00 C ATOM 585 SG CYS A 47 -7.507 -0.982 -46.447 1.00 0.00 S ATOM 0 H CYS A 47 -10.002 2.381 -46.789 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.340 -0.444 -47.145 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.303 0.845 -47.731 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.090 1.281 -46.047 1.00 0.00 H new ATOM 590 N LYS A 48 -10.602 0.802 -44.182 1.00 0.00 N ATOM 591 CA LYS A 48 -10.843 0.501 -42.780 1.00 0.00 C ATOM 592 C LYS A 48 -12.335 0.226 -42.530 1.00 0.00 C ATOM 593 O LYS A 48 -12.821 0.322 -41.398 1.00 0.00 O ATOM 594 CB LYS A 48 -10.343 1.665 -41.906 1.00 0.00 C ATOM 595 CG LYS A 48 -8.944 2.159 -42.286 1.00 0.00 C ATOM 596 CD LYS A 48 -7.884 1.067 -42.121 1.00 0.00 C ATOM 597 CE LYS A 48 -6.599 1.416 -42.854 1.00 0.00 C ATOM 598 NZ LYS A 48 -5.722 0.224 -43.027 1.00 0.00 N ATOM 0 H LYS A 48 -10.751 1.779 -44.436 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.292 -0.400 -42.511 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.046 2.495 -41.983 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.337 1.349 -40.863 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.950 2.504 -43.320 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.681 3.016 -41.665 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.671 0.923 -41.062 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.273 0.122 -42.499 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.840 1.835 -43.831 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.062 2.186 -42.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.344 0.209 -43.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.935 0.271 -42.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.274 -0.641 -42.858 1.00 0.00 H new ATOM 612 N GLN A 49 -13.052 -0.118 -43.595 1.00 0.00 N ATOM 613 CA GLN A 49 -14.467 -0.447 -43.504 1.00 0.00 C ATOM 614 C GLN A 49 -14.667 -1.891 -43.064 1.00 0.00 C ATOM 615 O GLN A 49 -13.722 -2.677 -43.014 1.00 0.00 O ATOM 616 CB GLN A 49 -15.159 -0.252 -44.849 1.00 0.00 C ATOM 617 CG GLN A 49 -15.324 1.185 -45.287 1.00 0.00 C ATOM 618 CD GLN A 49 -16.075 1.285 -46.608 1.00 0.00 C ATOM 619 OE1 GLN A 49 -15.855 2.361 -47.334 1.00 0.00 O flip ATOM 620 NE2 GLN A 49 -16.868 0.413 -46.950 1.00 0.00 N flip ATOM 0 H GLN A 49 -12.670 -0.176 -44.539 1.00 0.00 H new ATOM 0 HA GLN A 49 -14.904 0.224 -42.764 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.591 -0.784 -45.612 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.144 -0.716 -44.803 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.862 1.741 -44.519 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.343 1.650 -45.389 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -17.011 -0.406 -46.360 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.384 0.508 -47.825 1.00 0.00 H new ATOM 629 N THR A 50 -15.898 -2.233 -42.743 1.00 0.00 N ATOM 630 CA THR A 50 -16.243 -3.589 -42.383 1.00 0.00 C ATOM 631 C THR A 50 -17.666 -3.919 -42.848 1.00 0.00 C ATOM 632 O THR A 50 -18.636 -3.436 -42.267 1.00 0.00 O ATOM 633 CB THR A 50 -16.135 -3.825 -40.870 1.00 0.00 C ATOM 634 OG1 THR A 50 -14.832 -3.429 -40.411 1.00 0.00 O ATOM 635 CG2 THR A 50 -16.362 -5.294 -40.558 1.00 0.00 C ATOM 0 H THR A 50 -16.682 -1.581 -42.725 1.00 0.00 H new ATOM 0 HA THR A 50 -15.530 -4.245 -42.882 1.00 0.00 H new ATOM 0 HB THR A 50 -16.894 -3.231 -40.361 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.766 -3.579 -39.445 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.284 -5.454 -39.483 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.355 -5.589 -40.897 1.00 0.00 H new ATOM 0 HG23 THR A 50 -15.610 -5.895 -41.070 1.00 0.00 H new ATOM 643 N PRO A 51 -17.810 -4.719 -43.924 1.00 0.00 N ATOM 644 CA PRO A 51 -16.676 -5.275 -44.673 1.00 0.00 C ATOM 645 C PRO A 51 -15.916 -4.181 -45.411 1.00 0.00 C ATOM 646 O PRO A 51 -16.477 -3.113 -45.681 1.00 0.00 O ATOM 647 CB PRO A 51 -17.327 -6.243 -45.674 1.00 0.00 C ATOM 648 CG PRO A 51 -18.750 -6.382 -45.236 1.00 0.00 C ATOM 649 CD PRO A 51 -19.091 -5.125 -44.496 1.00 0.00 C ATOM 0 HA PRO A 51 -15.950 -5.762 -44.021 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -17.266 -5.854 -46.690 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.820 -7.208 -45.671 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -19.409 -6.518 -46.094 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -18.876 -7.255 -44.596 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -19.495 -4.362 -45.162 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -19.839 -5.302 -43.723 1.00 0.00 H new ATOM 657 N CYS A 52 -14.649 -4.444 -45.727 1.00 0.00 N ATOM 658 CA CYS A 52 -13.785 -3.457 -46.368 1.00 0.00 C ATOM 659 C CYS A 52 -14.439 -2.840 -47.584 1.00 0.00 C ATOM 660 O CYS A 52 -15.169 -3.508 -48.326 1.00 0.00 O ATOM 661 CB CYS A 52 -12.467 -4.072 -46.775 1.00 0.00 C ATOM 662 SG CYS A 52 -11.311 -2.887 -47.485 1.00 0.00 S ATOM 0 H CYS A 52 -14.196 -5.340 -45.547 1.00 0.00 H new ATOM 0 HA CYS A 52 -13.609 -2.673 -45.631 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -12.008 -4.538 -45.903 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -12.653 -4.865 -47.499 1.00 0.00 H new ATOM 667 N GLY A 53 -14.156 -1.580 -47.803 1.00 0.00 N ATOM 668 CA GLY A 53 -14.755 -0.884 -48.894 1.00 0.00 C ATOM 669 C GLY A 53 -13.922 -0.946 -50.137 1.00 0.00 C ATOM 670 O GLY A 53 -14.432 -0.760 -51.231 1.00 0.00 O ATOM 0 H GLY A 53 -13.515 -1.024 -47.237 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.738 -1.309 -49.097 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.910 0.158 -48.615 1.00 0.00 H new ATOM 674 N CYS A 54 -12.633 -1.214 -49.984 1.00 0.00 N ATOM 675 CA CYS A 54 -11.747 -1.342 -51.132 1.00 0.00 C ATOM 676 C CYS A 54 -12.220 -2.480 -52.042 1.00 0.00 C ATOM 677 O CYS A 54 -11.960 -2.491 -53.235 1.00 0.00 O ATOM 678 CB CYS A 54 -10.318 -1.604 -50.680 1.00 0.00 C ATOM 679 SG CYS A 54 -9.426 -0.166 -50.049 1.00 0.00 S ATOM 0 H CYS A 54 -12.179 -1.347 -49.080 1.00 0.00 H new ATOM 0 HA CYS A 54 -11.772 -0.405 -51.689 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -10.336 -2.368 -49.903 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.759 -2.016 -51.520 1.00 0.00 H new ATOM 684 N ALA A 55 -12.933 -3.429 -51.459 1.00 0.00 N ATOM 685 CA ALA A 55 -13.466 -4.554 -52.202 1.00 0.00 C ATOM 686 C ALA A 55 -14.891 -4.265 -52.669 1.00 0.00 C ATOM 687 O ALA A 55 -15.616 -5.166 -53.083 1.00 0.00 O ATOM 688 CB ALA A 55 -13.439 -5.797 -51.339 1.00 0.00 C ATOM 0 H ALA A 55 -13.157 -3.440 -50.464 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.845 -4.717 -53.083 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.841 -6.640 -51.902 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.412 -6.014 -51.045 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.045 -5.634 -50.448 1.00 0.00 H new ATOM 694 N THR A 56 -15.286 -3.011 -52.589 1.00 0.00 N ATOM 695 CA THR A 56 -16.622 -2.600 -52.998 1.00 0.00 C ATOM 696 C THR A 56 -16.581 -1.329 -53.865 1.00 0.00 C ATOM 697 O THR A 56 -17.169 -1.283 -54.947 1.00 0.00 O ATOM 698 CB THR A 56 -17.515 -2.348 -51.766 1.00 0.00 C ATOM 699 OG1 THR A 56 -17.414 -3.463 -50.868 1.00 0.00 O ATOM 700 CG2 THR A 56 -18.968 -2.165 -52.180 1.00 0.00 C ATOM 0 H THR A 56 -14.700 -2.251 -52.243 1.00 0.00 H new ATOM 0 HA THR A 56 -17.041 -3.412 -53.591 1.00 0.00 H new ATOM 0 HB THR A 56 -17.176 -1.438 -51.272 1.00 0.00 H new ATOM 0 HG1 THR A 56 -17.980 -3.304 -50.084 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.579 -1.989 -51.295 1.00 0.00 H new ATOM 0 HG22 THR A 56 -19.050 -1.312 -52.853 1.00 0.00 H new ATOM 0 HG23 THR A 56 -19.317 -3.063 -52.689 1.00 0.00 H new ATOM 708 N SER A 57 -15.864 -0.317 -53.399 1.00 0.00 N ATOM 709 CA SER A 57 -15.788 0.957 -54.105 1.00 0.00 C ATOM 710 C SER A 57 -14.543 1.007 -54.982 1.00 0.00 C ATOM 711 O SER A 57 -14.141 2.076 -55.450 1.00 0.00 O ATOM 712 CB SER A 57 -15.750 2.107 -53.089 1.00 0.00 C ATOM 713 OG SER A 57 -14.603 2.019 -52.259 1.00 0.00 O ATOM 0 H SER A 57 -15.325 -0.352 -52.534 1.00 0.00 H new ATOM 0 HA SER A 57 -16.668 1.059 -54.740 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.749 3.061 -53.616 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.650 2.083 -52.474 1.00 0.00 H new ATOM 0 HG SER A 57 -14.602 1.157 -51.792 1.00 0.00 H new ATOM 719 N GLY A 58 -13.947 -0.146 -55.210 1.00 0.00 N ATOM 720 CA GLY A 58 -12.712 -0.196 -55.944 1.00 0.00 C ATOM 721 C GLY A 58 -11.548 -0.054 -55.004 1.00 0.00 C ATOM 722 O GLY A 58 -11.602 0.754 -54.070 1.00 0.00 O ATOM 0 H GLY A 58 -14.299 -1.051 -54.898 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.639 -1.139 -56.486 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.689 0.601 -56.687 1.00 0.00 H new ATOM 726 N CYS A 59 -10.510 -0.840 -55.212 1.00 0.00 N ATOM 727 CA CYS A 59 -9.366 -0.800 -54.330 1.00 0.00 C ATOM 728 C CYS A 59 -8.684 0.554 -54.394 1.00 0.00 C ATOM 729 O CYS A 59 -8.522 1.140 -55.474 1.00 0.00 O ATOM 730 CB CYS A 59 -8.385 -1.908 -54.657 1.00 0.00 C ATOM 731 SG CYS A 59 -7.069 -2.079 -53.439 1.00 0.00 S ATOM 0 H CYS A 59 -10.437 -1.509 -55.979 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.724 -0.957 -53.312 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.926 -2.852 -54.732 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.943 -1.715 -55.634 1.00 0.00 H new ATOM 736 N ASN A 60 -8.294 1.053 -53.243 1.00 0.00 N ATOM 737 CA ASN A 60 -7.685 2.359 -53.159 1.00 0.00 C ATOM 738 C ASN A 60 -6.170 2.253 -53.050 1.00 0.00 C ATOM 739 O ASN A 60 -5.442 3.014 -53.685 1.00 0.00 O ATOM 740 CB ASN A 60 -8.256 3.122 -51.962 1.00 0.00 C ATOM 741 CG ASN A 60 -8.097 4.633 -52.067 1.00 0.00 C ATOM 742 OD1 ASN A 60 -8.952 5.378 -51.600 1.00 0.00 O ATOM 743 ND2 ASN A 60 -7.014 5.099 -52.664 1.00 0.00 N ATOM 0 H ASN A 60 -8.389 0.571 -52.349 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.915 2.906 -54.074 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.315 2.883 -51.862 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.763 2.776 -51.053 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.870 6.105 -52.747 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.322 4.452 -53.042 1.00 0.00 H new ATOM 750 N CYS A 61 -5.698 1.319 -52.256 1.00 0.00 N ATOM 751 CA CYS A 61 -4.274 1.161 -52.049 1.00 0.00 C ATOM 752 C CYS A 61 -3.684 0.049 -52.928 1.00 0.00 C ATOM 753 O CYS A 61 -3.787 0.103 -54.161 1.00 0.00 O ATOM 754 CB CYS A 61 -3.989 0.916 -50.575 1.00 0.00 C ATOM 755 SG CYS A 61 -4.996 -0.385 -49.858 1.00 0.00 S ATOM 0 H CYS A 61 -6.279 0.656 -51.742 1.00 0.00 H new ATOM 0 HA CYS A 61 -3.783 2.086 -52.351 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -2.937 0.658 -50.454 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.156 1.840 -50.022 1.00 0.00 H new ATOM 760 N THR A 62 -3.079 -0.953 -52.301 1.00 0.00 N ATOM 761 CA THR A 62 -2.411 -2.016 -53.025 1.00 0.00 C ATOM 762 C THR A 62 -2.559 -3.384 -52.335 1.00 0.00 C ATOM 763 O THR A 62 -2.918 -3.465 -51.160 1.00 0.00 O ATOM 764 CB THR A 62 -0.919 -1.677 -53.209 1.00 0.00 C ATOM 765 OG1 THR A 62 -0.466 -0.891 -52.095 1.00 0.00 O ATOM 766 CG2 THR A 62 -0.693 -0.904 -54.490 1.00 0.00 C ATOM 0 H THR A 62 -3.040 -1.047 -51.286 1.00 0.00 H new ATOM 0 HA THR A 62 -2.894 -2.092 -53.999 1.00 0.00 H new ATOM 0 HB THR A 62 -0.358 -2.610 -53.263 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.320 -1.316 -51.693 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.368 -0.677 -54.596 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.023 -1.503 -55.339 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.261 0.026 -54.459 1.00 0.00 H new ATOM 774 N ASP A 63 -2.245 -4.451 -53.085 1.00 0.00 N ATOM 775 CA ASP A 63 -2.370 -5.851 -52.611 1.00 0.00 C ATOM 776 C ASP A 63 -1.316 -6.186 -51.528 1.00 0.00 C ATOM 777 O ASP A 63 -1.321 -7.270 -50.953 1.00 0.00 O ATOM 778 CB ASP A 63 -2.249 -6.813 -53.834 1.00 0.00 C ATOM 779 CG ASP A 63 -2.345 -8.305 -53.496 1.00 0.00 C ATOM 780 OD1 ASP A 63 -3.474 -8.850 -53.472 1.00 0.00 O ATOM 781 OD2 ASP A 63 -1.290 -8.945 -53.301 1.00 0.00 O ATOM 0 H ASP A 63 -1.896 -4.375 -54.040 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.346 -5.980 -52.144 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.033 -6.567 -54.550 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.296 -6.629 -54.329 1.00 0.00 H new ATOM 786 N ASP A 64 -0.436 -5.231 -51.234 1.00 0.00 N ATOM 787 CA ASP A 64 0.617 -5.444 -50.235 1.00 0.00 C ATOM 788 C ASP A 64 0.145 -5.057 -48.834 1.00 0.00 C ATOM 789 O ASP A 64 0.872 -5.239 -47.853 1.00 0.00 O ATOM 790 CB ASP A 64 1.882 -4.658 -50.590 1.00 0.00 C ATOM 791 CG ASP A 64 1.766 -3.190 -50.268 1.00 0.00 C ATOM 792 OD1 ASP A 64 2.613 -2.670 -49.517 1.00 0.00 O ATOM 793 OD2 ASP A 64 0.836 -2.553 -50.762 1.00 0.00 O ATOM 0 H ASP A 64 -0.428 -4.308 -51.668 1.00 0.00 H new ATOM 0 HA ASP A 64 0.851 -6.509 -50.240 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.730 -5.078 -50.049 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.092 -4.777 -51.653 1.00 0.00 H new ATOM 798 N CYS A 65 -1.056 -4.508 -48.739 1.00 0.00 N ATOM 799 CA CYS A 65 -1.618 -4.164 -47.439 1.00 0.00 C ATOM 800 C CYS A 65 -1.968 -5.472 -46.724 1.00 0.00 C ATOM 801 O CYS A 65 -2.331 -6.454 -47.374 1.00 0.00 O ATOM 802 CB CYS A 65 -2.880 -3.261 -47.606 1.00 0.00 C ATOM 803 SG CYS A 65 -3.316 -2.233 -46.137 1.00 0.00 S ATOM 0 H CYS A 65 -1.656 -4.292 -49.535 1.00 0.00 H new ATOM 0 HA CYS A 65 -0.897 -3.598 -46.850 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.723 -2.599 -48.458 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.731 -3.897 -47.849 1.00 0.00 H new ATOM 808 N LYS A 66 -1.838 -5.506 -45.402 1.00 0.00 N ATOM 809 CA LYS A 66 -2.131 -6.735 -44.647 1.00 0.00 C ATOM 810 C LYS A 66 -3.611 -7.015 -44.580 1.00 0.00 C ATOM 811 O LYS A 66 -4.049 -7.980 -43.951 1.00 0.00 O ATOM 812 CB LYS A 66 -1.560 -6.683 -43.241 1.00 0.00 C ATOM 813 CG LYS A 66 -0.246 -7.409 -43.097 1.00 0.00 C ATOM 814 CD LYS A 66 0.116 -7.589 -41.641 1.00 0.00 C ATOM 815 CE LYS A 66 1.427 -8.346 -41.482 1.00 0.00 C ATOM 816 NZ LYS A 66 2.563 -7.632 -42.119 1.00 0.00 N ATOM 0 H LYS A 66 -1.537 -4.715 -44.832 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.648 -7.547 -45.190 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.424 -5.641 -42.951 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.282 -7.115 -42.548 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.309 -8.383 -43.583 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.540 -6.850 -43.605 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.198 -6.613 -41.162 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.682 -8.129 -41.131 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.637 -8.488 -40.422 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.329 -9.338 -41.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.459 -8.067 -41.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.477 -7.695 -43.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.550 -6.633 -41.831 1.00 0.00 H new ATOM 830 N CYS A 67 -4.371 -6.187 -45.227 1.00 0.00 N ATOM 831 CA CYS A 67 -5.778 -6.332 -45.242 1.00 0.00 C ATOM 832 C CYS A 67 -6.198 -7.343 -46.295 1.00 0.00 C ATOM 833 O CYS A 67 -6.257 -7.037 -47.486 1.00 0.00 O ATOM 834 CB CYS A 67 -6.430 -4.999 -45.494 1.00 0.00 C ATOM 835 SG CYS A 67 -8.188 -5.036 -45.254 1.00 0.00 S ATOM 0 H CYS A 67 -4.023 -5.390 -45.760 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.104 -6.701 -44.270 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -5.993 -4.254 -44.829 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.214 -4.681 -46.514 1.00 0.00 H new ATOM 840 N GLN A 68 -6.474 -8.558 -45.855 1.00 0.00 N ATOM 841 CA GLN A 68 -6.887 -9.614 -46.758 1.00 0.00 C ATOM 842 C GLN A 68 -8.374 -9.521 -47.077 1.00 0.00 C ATOM 843 O GLN A 68 -9.147 -10.446 -46.818 1.00 0.00 O ATOM 844 CB GLN A 68 -6.527 -10.989 -46.196 1.00 0.00 C ATOM 845 CG GLN A 68 -5.027 -11.229 -46.108 1.00 0.00 C ATOM 846 CD GLN A 68 -4.334 -11.110 -47.460 1.00 0.00 C ATOM 847 OE1 GLN A 68 -4.917 -11.402 -48.500 1.00 0.00 O ATOM 848 NE2 GLN A 68 -3.087 -10.678 -47.446 1.00 0.00 N ATOM 0 H GLN A 68 -6.419 -8.837 -44.875 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.342 -9.482 -47.693 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.964 -11.094 -45.203 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.975 -11.759 -46.824 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.588 -10.512 -45.415 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.845 -12.222 -45.697 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.638 -10.446 -46.560 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.573 -10.576 -48.321 1.00 0.00 H new ATOM 857 N SER A 69 -8.766 -8.381 -47.603 1.00 0.00 N ATOM 858 CA SER A 69 -10.131 -8.160 -48.028 1.00 0.00 C ATOM 859 C SER A 69 -10.127 -7.566 -49.432 1.00 0.00 C ATOM 860 O SER A 69 -10.880 -7.994 -50.309 1.00 0.00 O ATOM 861 CB SER A 69 -10.864 -7.229 -47.044 1.00 0.00 C ATOM 862 OG SER A 69 -12.270 -7.260 -47.253 1.00 0.00 O ATOM 0 H SER A 69 -8.148 -7.582 -47.748 1.00 0.00 H new ATOM 0 HA SER A 69 -10.663 -9.111 -48.041 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.640 -7.529 -46.020 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.499 -6.209 -47.164 1.00 0.00 H new ATOM 0 HG SER A 69 -12.727 -6.936 -46.449 1.00 0.00 H new ATOM 868 N CYS A 70 -9.258 -6.593 -49.644 1.00 0.00 N ATOM 869 CA CYS A 70 -9.127 -5.945 -50.934 1.00 0.00 C ATOM 870 C CYS A 70 -8.090 -6.645 -51.796 1.00 0.00 C ATOM 871 O CYS A 70 -8.093 -6.515 -53.020 1.00 0.00 O ATOM 872 CB CYS A 70 -8.743 -4.497 -50.731 1.00 0.00 C ATOM 873 SG CYS A 70 -7.417 -4.258 -49.534 1.00 0.00 S ATOM 0 H CYS A 70 -8.626 -6.232 -48.929 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.085 -6.002 -51.451 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.437 -4.074 -51.688 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.621 -3.940 -50.403 1.00 0.00 H new ATOM 878 N SER A 71 -7.216 -7.389 -51.154 1.00 0.00 N ATOM 879 CA SER A 71 -6.172 -8.113 -51.843 1.00 0.00 C ATOM 880 C SER A 71 -6.748 -9.289 -52.644 1.00 0.00 C ATOM 881 O SER A 71 -7.941 -9.619 -52.529 1.00 0.00 O ATOM 882 CB SER A 71 -5.154 -8.607 -50.825 1.00 0.00 C ATOM 883 OG SER A 71 -5.808 -9.256 -49.747 1.00 0.00 O ATOM 0 H SER A 71 -7.210 -7.509 -50.141 1.00 0.00 H new ATOM 0 HA SER A 71 -5.685 -7.443 -52.552 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.457 -9.295 -51.303 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.568 -7.768 -50.451 1.00 0.00 H new ATOM 0 HG SER A 71 -5.441 -10.158 -49.637 1.00 0.00 H new ATOM 889 N THR A 72 -5.907 -9.909 -53.446 1.00 0.00 N ATOM 890 CA THR A 72 -6.311 -11.037 -54.259 1.00 0.00 C ATOM 891 C THR A 72 -6.087 -12.364 -53.521 1.00 0.00 C ATOM 892 O THR A 72 -5.091 -12.538 -52.810 1.00 0.00 O ATOM 893 CB THR A 72 -5.579 -11.036 -55.616 1.00 0.00 C ATOM 894 OG1 THR A 72 -4.205 -10.682 -55.433 1.00 0.00 O ATOM 895 CG2 THR A 72 -6.230 -10.058 -56.581 1.00 0.00 C ATOM 0 H THR A 72 -4.927 -9.646 -53.552 1.00 0.00 H new ATOM 0 HA THR A 72 -7.379 -10.936 -54.452 1.00 0.00 H new ATOM 0 HB THR A 72 -5.644 -12.039 -56.037 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.043 -9.793 -55.811 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.696 -10.075 -57.531 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.269 -10.344 -56.743 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.192 -9.053 -56.161 1.00 0.00 H new ATOM 903 N ALA A 73 -7.014 -13.294 -53.711 1.00 0.00 N ATOM 904 CA ALA A 73 -7.015 -14.573 -52.999 1.00 0.00 C ATOM 905 C ALA A 73 -6.217 -15.649 -53.715 1.00 0.00 C ATOM 906 O ALA A 73 -6.755 -16.709 -54.050 1.00 0.00 O ATOM 907 CB ALA A 73 -8.412 -15.039 -52.845 1.00 0.00 C ATOM 0 H ALA A 73 -7.790 -13.186 -54.364 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.542 -14.404 -52.032 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.421 -15.992 -52.315 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.981 -14.303 -52.277 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.864 -15.166 -53.829 1.00 0.00 H new ATOM 913 N CYS A 74 -4.942 -15.385 -53.865 1.00 0.00 N ATOM 914 CA CYS A 74 -3.967 -16.238 -54.564 1.00 0.00 C ATOM 915 C CYS A 74 -4.576 -17.119 -55.690 1.00 0.00 C ATOM 916 O CYS A 74 -5.562 -16.752 -56.339 1.00 0.00 O ATOM 917 CB CYS A 74 -3.214 -17.110 -53.559 1.00 0.00 C ATOM 918 SG CYS A 74 -1.484 -17.472 -54.046 1.00 0.00 S ATOM 0 H CYS A 74 -4.520 -14.535 -53.492 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.279 -15.555 -55.063 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.212 -16.612 -52.589 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.751 -18.050 -53.434 1.00 0.00 H new ATOM 923 N LYS A 75 -3.911 -18.240 -55.948 1.00 0.00 N ATOM 924 CA LYS A 75 -4.362 -19.234 -56.934 1.00 0.00 C ATOM 925 C LYS A 75 -4.173 -20.671 -56.445 1.00 0.00 C ATOM 926 O LYS A 75 -4.785 -21.598 -56.987 1.00 0.00 O ATOM 927 CB LYS A 75 -3.593 -19.074 -58.240 1.00 0.00 C ATOM 928 CG LYS A 75 -3.888 -17.793 -58.970 1.00 0.00 C ATOM 929 CD LYS A 75 -5.330 -17.728 -59.391 1.00 0.00 C ATOM 930 CE LYS A 75 -5.655 -18.749 -60.462 1.00 0.00 C ATOM 931 NZ LYS A 75 -7.099 -18.756 -60.781 1.00 0.00 N ATOM 0 H LYS A 75 -3.040 -18.492 -55.481 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.426 -19.053 -57.085 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.525 -19.122 -58.029 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.827 -19.915 -58.893 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.655 -16.943 -58.328 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.246 -17.715 -59.848 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.969 -17.896 -58.524 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.554 -16.728 -59.763 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.083 -18.528 -61.363 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.350 -19.740 -60.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.288 -19.466 -61.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.642 -18.991 -59.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.383 -17.816 -61.124 1.00 0.00 H new ATOM 945 N CYS A 76 -3.337 -20.857 -55.439 1.00 0.00 N ATOM 946 CA CYS A 76 -2.999 -22.197 -54.961 1.00 0.00 C ATOM 947 C CYS A 76 -4.153 -22.910 -54.281 1.00 0.00 C ATOM 948 O CYS A 76 -5.163 -22.301 -53.915 1.00 0.00 O ATOM 949 CB CYS A 76 -1.794 -22.148 -54.041 1.00 0.00 C ATOM 950 SG CYS A 76 -0.296 -21.617 -54.871 1.00 0.00 S ATOM 0 H CYS A 76 -2.877 -20.100 -54.933 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.758 -22.781 -55.849 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.004 -21.470 -53.214 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.633 -23.136 -53.610 1.00 0.00 H new ATOM 955 N ALA A 77 -3.977 -24.212 -54.108 1.00 0.00 N ATOM 956 CA ALA A 77 -4.973 -25.066 -53.497 1.00 0.00 C ATOM 957 C ALA A 77 -4.320 -25.957 -52.456 1.00 0.00 C ATOM 958 O ALA A 77 -3.099 -25.898 -52.262 1.00 0.00 O ATOM 959 CB ALA A 77 -5.643 -25.920 -54.554 1.00 0.00 C ATOM 0 H ALA A 77 -3.130 -24.705 -54.392 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.725 -24.442 -53.014 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.391 -26.559 -54.085 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.126 -25.276 -55.290 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.895 -26.539 -55.049 1.00 0.00 H new ATOM 965 N ALA A 78 -5.120 -26.791 -51.806 1.00 0.00 N ATOM 966 CA ALA A 78 -4.621 -27.690 -50.781 1.00 0.00 C ATOM 967 C ALA A 78 -3.649 -28.714 -51.364 1.00 0.00 C ATOM 968 O ALA A 78 -4.060 -29.732 -51.930 1.00 0.00 O ATOM 969 CB ALA A 78 -5.774 -28.391 -50.076 1.00 0.00 C ATOM 0 H ALA A 78 -6.124 -26.862 -51.974 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.077 -27.091 -50.050 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.380 -29.060 -49.311 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.421 -27.648 -49.609 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.348 -28.967 -50.802 1.00 0.00 H new ATOM 975 N GLY A 79 -2.371 -28.412 -51.262 1.00 0.00 N ATOM 976 CA GLY A 79 -1.347 -29.329 -51.716 1.00 0.00 C ATOM 977 C GLY A 79 -0.771 -28.943 -53.057 1.00 0.00 C ATOM 978 O GLY A 79 0.027 -29.680 -53.630 1.00 0.00 O ATOM 0 H GLY A 79 -2.017 -27.540 -50.869 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.546 -29.366 -50.978 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.767 -30.333 -51.781 1.00 0.00 H new ATOM 982 N SER A 80 -1.156 -27.785 -53.561 1.00 0.00 N ATOM 983 CA SER A 80 -0.673 -27.341 -54.851 1.00 0.00 C ATOM 984 C SER A 80 -0.188 -25.895 -54.810 1.00 0.00 C ATOM 985 O SER A 80 -0.971 -24.963 -54.992 1.00 0.00 O ATOM 986 CB SER A 80 -1.761 -27.517 -55.909 1.00 0.00 C ATOM 987 OG SER A 80 -2.173 -28.873 -55.978 1.00 0.00 O ATOM 0 H SER A 80 -1.797 -27.140 -53.099 1.00 0.00 H new ATOM 0 HA SER A 80 0.184 -27.960 -55.117 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.615 -26.883 -55.670 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.387 -27.195 -56.881 1.00 0.00 H new ATOM 0 HG SER A 80 -2.871 -28.969 -56.659 1.00 0.00 H new ATOM 993 N CYS A 81 1.096 -25.727 -54.537 1.00 0.00 N ATOM 994 CA CYS A 81 1.737 -24.418 -54.525 1.00 0.00 C ATOM 995 C CYS A 81 2.466 -24.210 -55.846 1.00 0.00 C ATOM 996 O CYS A 81 3.347 -24.995 -56.194 1.00 0.00 O ATOM 997 CB CYS A 81 2.729 -24.334 -53.349 1.00 0.00 C ATOM 998 SG CYS A 81 3.857 -22.913 -53.398 1.00 0.00 S ATOM 0 H CYS A 81 1.727 -26.497 -54.316 1.00 0.00 H new ATOM 0 HA CYS A 81 0.985 -23.639 -54.401 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.163 -24.298 -52.418 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.321 -25.249 -53.327 1.00 0.00 H new ATOM 1003 N LYS A 82 2.097 -23.177 -56.593 1.00 0.00 N ATOM 1004 CA LYS A 82 2.721 -22.953 -57.894 1.00 0.00 C ATOM 1005 C LYS A 82 3.467 -21.627 -57.993 1.00 0.00 C ATOM 1006 O LYS A 82 4.355 -21.485 -58.832 1.00 0.00 O ATOM 1007 CB LYS A 82 1.723 -23.104 -59.055 1.00 0.00 C ATOM 1008 CG LYS A 82 0.505 -22.198 -58.989 1.00 0.00 C ATOM 1009 CD LYS A 82 -0.581 -22.754 -58.073 1.00 0.00 C ATOM 1010 CE LYS A 82 -1.185 -24.051 -58.608 1.00 0.00 C ATOM 1011 NZ LYS A 82 -1.812 -23.877 -59.947 1.00 0.00 N ATOM 0 H LYS A 82 1.386 -22.495 -56.330 1.00 0.00 H new ATOM 0 HA LYS A 82 3.469 -23.741 -57.985 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.248 -22.911 -59.991 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.383 -24.139 -59.088 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.807 -21.212 -58.634 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.099 -22.065 -59.992 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.161 -22.933 -57.083 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.369 -22.010 -57.955 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.407 -24.812 -58.671 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.933 -24.417 -57.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.393 -24.711 -60.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.413 -23.028 -59.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.069 -23.770 -60.667 1.00 0.00 H new ATOM 1025 N CYS A 83 3.115 -20.653 -57.164 1.00 0.00 N ATOM 1026 CA CYS A 83 3.826 -19.378 -57.192 1.00 0.00 C ATOM 1027 C CYS A 83 5.233 -19.548 -56.618 1.00 0.00 C ATOM 1028 O CYS A 83 6.191 -18.926 -57.085 1.00 0.00 O ATOM 1029 CB CYS A 83 3.060 -18.298 -56.427 1.00 0.00 C ATOM 1030 SG CYS A 83 2.867 -18.636 -54.672 1.00 0.00 S ATOM 0 H CYS A 83 2.361 -20.715 -56.480 1.00 0.00 H new ATOM 0 HA CYS A 83 3.905 -19.055 -58.230 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.578 -17.346 -56.548 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.073 -18.183 -56.874 1.00 0.00 H new ATOM 1035 N GLY A 84 5.352 -20.405 -55.611 1.00 0.00 N ATOM 1036 CA GLY A 84 6.645 -20.677 -55.019 1.00 0.00 C ATOM 1037 C GLY A 84 6.855 -19.968 -53.698 1.00 0.00 C ATOM 1038 O GLY A 84 7.974 -19.915 -53.191 1.00 0.00 O ATOM 0 H GLY A 84 4.574 -20.916 -55.194 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.750 -21.751 -54.868 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.427 -20.375 -55.715 1.00 0.00 H new ATOM 1042 N LYS A 85 5.790 -19.422 -53.137 1.00 0.00 N ATOM 1043 CA LYS A 85 5.892 -18.722 -51.864 1.00 0.00 C ATOM 1044 C LYS A 85 5.668 -19.682 -50.698 1.00 0.00 C ATOM 1045 O LYS A 85 6.083 -19.411 -49.570 1.00 0.00 O ATOM 1046 CB LYS A 85 4.896 -17.565 -51.801 1.00 0.00 C ATOM 1047 CG LYS A 85 5.058 -16.545 -52.923 1.00 0.00 C ATOM 1048 CD LYS A 85 6.423 -15.874 -52.907 1.00 0.00 C ATOM 1049 CE LYS A 85 6.532 -14.838 -54.017 1.00 0.00 C ATOM 1050 NZ LYS A 85 7.886 -14.231 -54.091 1.00 0.00 N ATOM 0 H LYS A 85 4.852 -19.448 -53.537 1.00 0.00 H new ATOM 0 HA LYS A 85 6.899 -18.314 -51.784 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.884 -17.968 -51.834 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.006 -17.057 -50.843 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.911 -17.039 -53.883 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.282 -15.785 -52.834 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.587 -15.396 -51.941 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.203 -16.625 -53.027 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.293 -15.306 -54.972 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.793 -14.054 -53.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.912 -13.532 -54.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.105 -13.761 -53.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.590 -14.974 -54.274 1.00 0.00 H new ATOM 1064 N GLY A 86 5.019 -20.801 -50.978 1.00 0.00 N ATOM 1065 CA GLY A 86 4.780 -21.793 -49.951 1.00 0.00 C ATOM 1066 C GLY A 86 3.403 -21.677 -49.335 1.00 0.00 C ATOM 1067 O GLY A 86 3.225 -21.926 -48.143 1.00 0.00 O ATOM 0 H GLY A 86 4.653 -21.041 -51.899 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.899 -22.788 -50.379 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.533 -21.689 -49.170 1.00 0.00 H new ATOM 1071 N CYS A 87 2.440 -21.295 -50.138 1.00 0.00 N ATOM 1072 CA CYS A 87 1.072 -21.161 -49.693 1.00 0.00 C ATOM 1073 C CYS A 87 0.192 -22.180 -50.397 1.00 0.00 C ATOM 1074 O CYS A 87 0.387 -22.474 -51.573 1.00 0.00 O ATOM 1075 CB CYS A 87 0.584 -19.748 -49.972 1.00 0.00 C ATOM 1076 SG CYS A 87 1.251 -19.058 -51.495 1.00 0.00 S ATOM 0 H CYS A 87 2.582 -21.067 -51.122 1.00 0.00 H new ATOM 0 HA CYS A 87 1.019 -21.347 -48.620 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.505 -19.750 -50.027 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.859 -19.104 -49.137 1.00 0.00 H new ATOM 1081 N THR A 88 -0.753 -22.736 -49.677 1.00 0.00 N ATOM 1082 CA THR A 88 -1.639 -23.727 -50.239 1.00 0.00 C ATOM 1083 C THR A 88 -3.071 -23.215 -50.328 1.00 0.00 C ATOM 1084 O THR A 88 -4.023 -23.928 -50.006 1.00 0.00 O ATOM 1085 CB THR A 88 -1.593 -25.015 -49.416 1.00 0.00 C ATOM 1086 OG1 THR A 88 -1.542 -24.690 -48.019 1.00 0.00 O ATOM 1087 CG2 THR A 88 -0.378 -25.842 -49.798 1.00 0.00 C ATOM 0 H THR A 88 -0.928 -22.518 -48.696 1.00 0.00 H new ATOM 0 HA THR A 88 -1.294 -23.937 -51.251 1.00 0.00 H new ATOM 0 HB THR A 88 -2.490 -25.599 -49.621 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.514 -25.516 -47.492 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.358 -26.756 -49.204 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.430 -26.098 -50.856 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.528 -25.267 -49.608 1.00 0.00 H new ATOM 1095 N GLY A 89 -3.217 -21.986 -50.775 1.00 0.00 N ATOM 1096 CA GLY A 89 -4.530 -21.410 -50.923 1.00 0.00 C ATOM 1097 C GLY A 89 -4.582 -20.002 -50.408 1.00 0.00 C ATOM 1098 O GLY A 89 -3.649 -19.556 -49.757 1.00 0.00 O ATOM 0 H GLY A 89 -2.446 -21.372 -51.040 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.816 -21.423 -51.975 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.257 -22.020 -50.387 1.00 0.00 H new ATOM 1102 N PRO A 90 -5.676 -19.278 -50.668 1.00 0.00 N ATOM 1103 CA PRO A 90 -5.817 -17.874 -50.265 1.00 0.00 C ATOM 1104 C PRO A 90 -5.890 -17.696 -48.757 1.00 0.00 C ATOM 1105 O PRO A 90 -5.372 -16.728 -48.218 1.00 0.00 O ATOM 1106 CB PRO A 90 -7.121 -17.453 -50.921 1.00 0.00 C ATOM 1107 CG PRO A 90 -7.894 -18.717 -51.062 1.00 0.00 C ATOM 1108 CD PRO A 90 -6.874 -19.763 -51.386 1.00 0.00 C ATOM 0 HA PRO A 90 -4.957 -17.277 -50.568 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.656 -16.727 -50.309 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.945 -16.986 -51.890 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.427 -18.958 -50.142 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.641 -18.636 -51.852 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.182 -20.750 -51.041 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.700 -19.841 -52.459 1.00 0.00 H new ATOM 1116 N ASP A 91 -6.522 -18.644 -48.084 1.00 0.00 N ATOM 1117 CA ASP A 91 -6.643 -18.603 -46.629 1.00 0.00 C ATOM 1118 C ASP A 91 -5.263 -18.727 -45.989 1.00 0.00 C ATOM 1119 O ASP A 91 -5.002 -18.173 -44.923 1.00 0.00 O ATOM 1120 CB ASP A 91 -7.567 -19.733 -46.154 1.00 0.00 C ATOM 1121 CG ASP A 91 -7.642 -19.870 -44.645 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -8.596 -19.340 -44.044 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -6.760 -20.541 -44.059 1.00 0.00 O ATOM 0 H ASP A 91 -6.961 -19.455 -48.520 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.077 -17.650 -46.328 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.570 -19.558 -46.544 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.220 -20.675 -46.578 1.00 0.00 H new ATOM 1128 N SER A 92 -4.377 -19.436 -46.669 1.00 0.00 N ATOM 1129 CA SER A 92 -3.024 -19.622 -46.195 1.00 0.00 C ATOM 1130 C SER A 92 -2.048 -18.673 -46.910 1.00 0.00 C ATOM 1131 O SER A 92 -0.848 -18.684 -46.631 1.00 0.00 O ATOM 1132 CB SER A 92 -2.597 -21.081 -46.378 1.00 0.00 C ATOM 1133 OG SER A 92 -3.423 -21.951 -45.609 1.00 0.00 O ATOM 0 H SER A 92 -4.577 -19.894 -47.558 1.00 0.00 H new ATOM 0 HA SER A 92 -2.998 -19.381 -45.132 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.657 -21.353 -47.432 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.556 -21.200 -46.077 1.00 0.00 H new ATOM 0 HG SER A 92 -3.134 -22.878 -45.742 1.00 0.00 H new ATOM 1139 N CYS A 93 -2.565 -17.859 -47.830 1.00 0.00 N ATOM 1140 CA CYS A 93 -1.737 -16.895 -48.531 1.00 0.00 C ATOM 1141 C CYS A 93 -1.663 -15.615 -47.737 1.00 0.00 C ATOM 1142 O CYS A 93 -2.458 -14.700 -47.924 1.00 0.00 O ATOM 1143 CB CYS A 93 -2.250 -16.605 -49.960 1.00 0.00 C ATOM 1144 SG CYS A 93 -1.205 -15.449 -50.910 1.00 0.00 S ATOM 0 H CYS A 93 -3.548 -17.852 -48.102 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.742 -17.329 -48.630 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.321 -17.546 -50.506 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.259 -16.197 -49.896 1.00 0.00 H new ATOM 1149 N LYS A 94 -0.730 -15.570 -46.821 1.00 0.00 N ATOM 1150 CA LYS A 94 -0.523 -14.389 -46.014 1.00 0.00 C ATOM 1151 C LYS A 94 0.625 -13.577 -46.614 1.00 0.00 C ATOM 1152 O LYS A 94 1.363 -12.889 -45.910 1.00 0.00 O ATOM 1153 CB LYS A 94 -0.244 -14.774 -44.537 1.00 0.00 C ATOM 1154 CG LYS A 94 -1.366 -15.611 -43.890 1.00 0.00 C ATOM 1155 CD LYS A 94 -1.124 -15.888 -42.389 1.00 0.00 C ATOM 1156 CE LYS A 94 -1.762 -14.821 -41.484 1.00 0.00 C ATOM 1157 NZ LYS A 94 -1.176 -13.466 -41.671 1.00 0.00 N ATOM 0 H LYS A 94 -0.096 -16.342 -46.612 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.425 -13.777 -46.015 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.689 -15.335 -44.487 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.101 -13.864 -43.955 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.316 -15.089 -44.009 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.455 -16.560 -44.419 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.530 -16.867 -42.133 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.052 -15.928 -42.198 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.833 -14.777 -41.684 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.644 -15.120 -40.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.455 -12.855 -40.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.139 -13.538 -41.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.524 -13.057 -42.562 1.00 0.00 H new ATOM 1171 N CYS A 95 0.753 -13.666 -47.937 1.00 0.00 N ATOM 1172 CA CYS A 95 1.798 -12.972 -48.681 1.00 0.00 C ATOM 1173 C CYS A 95 1.270 -11.667 -49.272 1.00 0.00 C ATOM 1174 O CYS A 95 0.059 -11.501 -49.462 1.00 0.00 O ATOM 1175 CB CYS A 95 2.330 -13.866 -49.810 1.00 0.00 C ATOM 1176 SG CYS A 95 3.004 -15.456 -49.262 1.00 0.00 S ATOM 0 H CYS A 95 0.132 -14.224 -48.523 1.00 0.00 H new ATOM 0 HA CYS A 95 2.608 -12.742 -47.988 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.523 -14.054 -50.518 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.107 -13.324 -50.349 1.00 0.00 H new ATOM 1181 N ASP A 96 2.184 -10.757 -49.574 1.00 0.00 N ATOM 1182 CA ASP A 96 1.830 -9.459 -50.147 1.00 0.00 C ATOM 1183 C ASP A 96 1.667 -9.565 -51.668 1.00 0.00 C ATOM 1184 O ASP A 96 1.458 -10.655 -52.213 1.00 0.00 O ATOM 1185 CB ASP A 96 2.909 -8.415 -49.810 1.00 0.00 C ATOM 1186 CG ASP A 96 3.138 -8.254 -48.324 1.00 0.00 C ATOM 1187 OD1 ASP A 96 2.177 -7.941 -47.596 1.00 0.00 O ATOM 1188 OD2 ASP A 96 4.291 -8.431 -47.878 1.00 0.00 O ATOM 0 H ASP A 96 3.185 -10.892 -49.432 1.00 0.00 H new ATOM 0 HA ASP A 96 0.880 -9.143 -49.715 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.846 -8.703 -50.286 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.619 -7.453 -50.233 1.00 0.00 H new ATOM 1193 N ARG A 97 1.795 -8.429 -52.350 1.00 0.00 N ATOM 1194 CA ARG A 97 1.650 -8.351 -53.812 1.00 0.00 C ATOM 1195 C ARG A 97 2.888 -8.901 -54.535 1.00 0.00 C ATOM 1196 O ARG A 97 3.087 -8.657 -55.723 1.00 0.00 O ATOM 1197 CB ARG A 97 1.400 -6.891 -54.226 1.00 0.00 C ATOM 1198 CG ARG A 97 2.547 -5.944 -53.887 1.00 0.00 C ATOM 1199 CD ARG A 97 2.177 -4.489 -54.165 1.00 0.00 C ATOM 1200 NE ARG A 97 3.162 -3.558 -53.606 1.00 0.00 N ATOM 1201 CZ ARG A 97 3.372 -2.321 -54.057 1.00 0.00 C ATOM 1202 NH1 ARG A 97 2.724 -1.877 -55.129 1.00 0.00 N ATOM 1203 NH2 ARG A 97 4.244 -1.532 -53.437 1.00 0.00 N ATOM 0 H ARG A 97 2.002 -7.533 -51.909 1.00 0.00 H new ATOM 0 HA ARG A 97 0.799 -8.968 -54.103 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.218 -6.855 -55.300 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.493 -6.536 -53.737 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.815 -6.057 -52.836 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.427 -6.214 -54.471 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.100 -4.333 -55.241 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.195 -4.277 -53.741 1.00 0.00 H new ATOM 0 HE ARG A 97 3.725 -3.879 -52.818 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.061 -2.484 -55.612 1.00 0.00 H new ATOM 0 HH12 ARG A 97 2.889 -0.930 -55.469 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.749 -1.874 -52.620 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.408 -0.585 -53.779 1.00 0.00 H new ATOM 1217 N SER A 98 3.693 -9.657 -53.818 1.00 0.00 N ATOM 1218 CA SER A 98 4.908 -10.232 -54.365 1.00 0.00 C ATOM 1219 C SER A 98 4.627 -11.578 -55.045 1.00 0.00 C ATOM 1220 O SER A 98 5.538 -12.230 -55.558 1.00 0.00 O ATOM 1221 CB SER A 98 5.928 -10.413 -53.248 1.00 0.00 C ATOM 1222 OG SER A 98 6.109 -9.201 -52.531 1.00 0.00 O ATOM 0 H SER A 98 3.525 -9.891 -52.840 1.00 0.00 H new ATOM 0 HA SER A 98 5.305 -9.553 -55.120 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.595 -11.197 -52.568 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.880 -10.739 -53.668 1.00 0.00 H new ATOM 0 HG SER A 98 6.766 -9.338 -51.817 1.00 0.00 H new ATOM 1228 N CYS A 99 3.370 -11.984 -55.043 1.00 0.00 N ATOM 1229 CA CYS A 99 2.976 -13.247 -55.643 1.00 0.00 C ATOM 1230 C CYS A 99 2.595 -13.087 -57.102 1.00 0.00 C ATOM 1231 O CYS A 99 1.974 -12.099 -57.494 1.00 0.00 O ATOM 1232 CB CYS A 99 1.822 -13.869 -54.874 1.00 0.00 C ATOM 1233 SG CYS A 99 2.322 -15.125 -53.696 1.00 0.00 S ATOM 0 H CYS A 99 2.601 -11.455 -54.631 1.00 0.00 H new ATOM 0 HA CYS A 99 3.841 -13.909 -55.593 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.286 -13.082 -54.344 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.122 -14.310 -55.584 1.00 0.00 H new ATOM 1238 N SER A 100 2.967 -14.072 -57.896 1.00 0.00 N ATOM 1239 CA SER A 100 2.652 -14.095 -59.308 1.00 0.00 C ATOM 1240 C SER A 100 1.206 -14.538 -59.524 1.00 0.00 C ATOM 1241 O SER A 100 0.591 -14.234 -60.546 1.00 0.00 O ATOM 1242 CB SER A 100 3.611 -15.045 -60.006 1.00 0.00 C ATOM 1243 OG SER A 100 3.829 -16.200 -59.204 1.00 0.00 O ATOM 0 H SER A 100 3.499 -14.882 -57.577 1.00 0.00 H new ATOM 0 HA SER A 100 2.761 -13.094 -59.726 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.205 -15.337 -60.974 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.559 -14.542 -60.197 1.00 0.00 H new ATOM 0 HG SER A 100 4.447 -16.806 -59.664 1.00 0.00 H new ATOM 1249 N CYS A 101 0.668 -15.240 -58.537 1.00 0.00 N ATOM 1250 CA CYS A 101 -0.696 -15.740 -58.588 1.00 0.00 C ATOM 1251 C CYS A 101 -1.716 -14.649 -58.261 1.00 0.00 C ATOM 1252 O CYS A 101 -2.926 -14.888 -58.277 1.00 0.00 O ATOM 1253 CB CYS A 101 -0.853 -16.919 -57.630 1.00 0.00 C ATOM 1254 SG CYS A 101 -0.101 -18.445 -58.218 1.00 0.00 S ATOM 0 H CYS A 101 1.166 -15.478 -57.679 1.00 0.00 H new ATOM 0 HA CYS A 101 -0.892 -16.072 -59.607 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -0.411 -16.655 -56.669 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -1.915 -17.093 -57.455 1.00 0.00 H new ATOM 1259 N LYS A 102 -1.239 -13.456 -57.977 1.00 0.00 N ATOM 1260 CA LYS A 102 -2.130 -12.364 -57.644 1.00 0.00 C ATOM 1261 C LYS A 102 -2.752 -11.768 -58.899 1.00 0.00 C ATOM 1262 O LYS A 102 -2.013 -11.053 -59.638 1.00 0.00 O ATOM 1263 CB LYS A 102 -1.403 -11.276 -56.856 1.00 0.00 C ATOM 1264 CG LYS A 102 -0.899 -11.727 -55.503 1.00 0.00 C ATOM 1265 CD LYS A 102 -1.974 -12.485 -54.747 1.00 0.00 C ATOM 1266 CE LYS A 102 -1.593 -12.683 -53.279 1.00 0.00 C ATOM 1267 NZ LYS A 102 -1.655 -11.410 -52.500 1.00 0.00 N ATOM 0 H LYS A 102 -0.247 -13.218 -57.970 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.924 -12.771 -57.018 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.559 -10.918 -57.445 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -2.077 -10.431 -56.718 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.023 -12.362 -55.631 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.583 -10.861 -54.922 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.916 -11.941 -54.809 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.135 -13.456 -55.216 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -2.263 -13.415 -52.828 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.585 -13.094 -53.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.923 -11.419 -51.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.494 -10.605 -53.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.592 -11.319 -52.058 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 200 1.340 -16.266 -51.345 1.00 0.00 CD HETATM 1283 CD CD A 201 2.041 -20.968 -53.391 1.00 0.00 CD HETATM 1284 CD CD A 202 0.169 -18.996 -55.503 1.00 0.00 CD HETATM 1285 CD CD A 203 -5.058 -0.340 -47.148 1.00 0.00 CD HETATM 1286 CD CD A 204 -8.589 -3.315 -47.197 1.00 0.00 CD HETATM 1287 CD CD A 205 -7.238 -1.728 -50.719 1.00 0.00 CD HETATM 1288 CD CD A 206 -2.116 -7.354 -33.553 1.00 0.00 CD HETATM 1289 CD CD A 207 -4.147 -6.262 -37.299 1.00 0.00 CD HETATM 1290 CD CD A 208 -4.954 -3.910 -33.770 1.00 0.00 CD