USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 5 SER OG : rot 23:sc= 1.27 USER MOD Single : A 7 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.12) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0474 X(o=-0.047,f=-0.29) USER MOD Single : A 25 GLN : amide:sc= -0.758 K(o=-0.76,f=-2.8!) USER MOD Single : A 28 TYR OH : rot 165:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -143:sc= 1.24 (180deg=-2.12!) USER MOD Single : A 52 GLN : amide:sc= -6.69! C(o=-6.7!,f=-17!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 517 U O2' : rot -22:sc= 0.547 USER MOD Single : B 518 U O2' : rot 9:sc= -0.902 USER MOD Single : B 519 U O2' : rot -27:sc= 0.396 USER MOD Single : B 520 U O2' : rot -18:sc= 0.584 USER MOD Single : B 521 G O2' : rot -27:sc= 0.852 USER MOD Single : B 522 C O2' : rot -25:sc= 0.406 USER MOD Single : B 523 U O2' : rot -20:sc= 0.37 USER MOD Single : B 523 U O3' : rot 180:sc= 0.357 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -26.592 -2.269 -37.250 1.00 0.00 N ATOM 2 CA ALA A 1 -27.044 -1.430 -38.346 1.00 0.00 C ATOM 3 C ALA A 1 -28.152 -0.500 -37.848 1.00 0.00 C ATOM 4 O ALA A 1 -29.333 -0.749 -38.090 1.00 0.00 O ATOM 5 CB ALA A 1 -27.504 -2.312 -39.509 1.00 0.00 C ATOM 0 H1 ALA A 1 -25.839 -2.902 -37.586 1.00 0.00 H new ATOM 0 H2 ALA A 1 -26.225 -1.670 -36.483 1.00 0.00 H new ATOM 0 H3 ALA A 1 -27.389 -2.836 -36.895 1.00 0.00 H new ATOM 0 HA ALA A 1 -26.229 -0.806 -38.712 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -27.843 -1.682 -40.331 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -26.673 -2.932 -39.846 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -28.323 -2.951 -39.179 1.00 0.00 H new ATOM 11 N THR A 2 -27.732 0.552 -37.160 1.00 0.00 N ATOM 12 CA THR A 2 -28.674 1.521 -36.624 1.00 0.00 C ATOM 13 C THR A 2 -28.039 2.912 -36.575 1.00 0.00 C ATOM 14 O THR A 2 -26.840 3.042 -36.332 1.00 0.00 O ATOM 15 CB THR A 2 -29.144 1.018 -35.258 1.00 0.00 C ATOM 16 OG1 THR A 2 -30.036 -0.049 -35.568 1.00 0.00 O ATOM 17 CG2 THR A 2 -30.022 2.038 -34.529 1.00 0.00 C ATOM 0 H THR A 2 -26.752 0.755 -36.961 1.00 0.00 H new ATOM 0 HA THR A 2 -29.548 1.621 -37.267 1.00 0.00 H new ATOM 0 HB THR A 2 -28.277 0.779 -34.642 1.00 0.00 H new ATOM 0 HG1 THR A 2 -30.386 -0.434 -34.738 1.00 0.00 H new ATOM 0 HG21 THR A 2 -30.328 1.631 -33.565 1.00 0.00 H new ATOM 0 HG22 THR A 2 -29.458 2.957 -34.372 1.00 0.00 H new ATOM 0 HG23 THR A 2 -30.906 2.253 -35.130 1.00 0.00 H new ATOM 25 N VAL A 3 -28.871 3.916 -36.809 1.00 0.00 N ATOM 26 CA VAL A 3 -28.405 5.292 -36.794 1.00 0.00 C ATOM 27 C VAL A 3 -28.558 5.862 -35.382 1.00 0.00 C ATOM 28 O VAL A 3 -29.559 5.613 -34.713 1.00 0.00 O ATOM 29 CB VAL A 3 -29.151 6.108 -37.853 1.00 0.00 C ATOM 30 CG1 VAL A 3 -28.815 7.596 -37.733 1.00 0.00 C ATOM 31 CG2 VAL A 3 -28.847 5.588 -39.259 1.00 0.00 C ATOM 0 H VAL A 3 -29.865 3.804 -37.010 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.347 5.341 -37.051 1.00 0.00 H new ATOM 0 HB VAL A 3 -30.220 5.991 -37.677 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -29.357 8.154 -38.496 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -29.105 7.956 -36.746 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -27.743 7.739 -37.872 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -29.389 6.185 -39.993 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -27.777 5.662 -39.451 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -29.158 4.546 -39.337 1.00 0.00 H new ATOM 41 N VAL A 4 -27.548 6.617 -34.972 1.00 0.00 N ATOM 42 CA VAL A 4 -27.558 7.224 -33.652 1.00 0.00 C ATOM 43 C VAL A 4 -28.522 8.413 -33.649 1.00 0.00 C ATOM 44 O VAL A 4 -28.649 9.115 -34.650 1.00 0.00 O ATOM 45 CB VAL A 4 -26.135 7.608 -33.243 1.00 0.00 C ATOM 46 CG1 VAL A 4 -25.543 8.633 -34.212 1.00 0.00 C ATOM 47 CG2 VAL A 4 -26.099 8.129 -31.805 1.00 0.00 C ATOM 0 H VAL A 4 -26.719 6.821 -35.530 1.00 0.00 H new ATOM 0 HA VAL A 4 -27.916 6.513 -32.907 1.00 0.00 H new ATOM 0 HB VAL A 4 -25.520 6.709 -33.289 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -24.531 8.888 -33.898 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -25.515 8.211 -35.216 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -26.160 9.531 -34.213 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -25.076 8.395 -31.540 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -26.736 9.010 -31.721 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -26.460 7.354 -31.128 1.00 0.00 H new ATOM 57 N SER A 5 -29.175 8.602 -32.512 1.00 0.00 N ATOM 58 CA SER A 5 -30.123 9.692 -32.366 1.00 0.00 C ATOM 59 C SER A 5 -30.629 9.756 -30.922 1.00 0.00 C ATOM 60 O SER A 5 -30.975 8.732 -30.336 1.00 0.00 O ATOM 61 CB SER A 5 -31.298 9.534 -33.333 1.00 0.00 C ATOM 62 OG SER A 5 -30.993 10.038 -34.630 1.00 0.00 O ATOM 0 H SER A 5 -29.066 8.018 -31.683 1.00 0.00 H new ATOM 0 HA SER A 5 -29.612 10.624 -32.607 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.567 8.480 -33.408 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.167 10.058 -32.936 1.00 0.00 H new ATOM 0 HG SER A 5 -30.021 10.051 -34.756 1.00 0.00 H new ATOM 68 N GLY A 6 -30.654 10.970 -30.392 1.00 0.00 N ATOM 69 CA GLY A 6 -31.112 11.181 -29.029 1.00 0.00 C ATOM 70 C GLY A 6 -30.321 12.303 -28.353 1.00 0.00 C ATOM 71 O GLY A 6 -29.435 12.040 -27.542 1.00 0.00 O ATOM 0 H GLY A 6 -30.365 11.817 -30.881 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -32.173 11.430 -29.032 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -31.003 10.259 -28.458 1.00 0.00 H new ATOM 75 N GLN A 7 -30.670 13.529 -28.713 1.00 0.00 N ATOM 76 CA GLN A 7 -30.004 14.692 -28.151 1.00 0.00 C ATOM 77 C GLN A 7 -30.796 15.962 -28.467 1.00 0.00 C ATOM 78 O GLN A 7 -31.731 15.932 -29.265 1.00 0.00 O ATOM 79 CB GLN A 7 -28.566 14.801 -28.663 1.00 0.00 C ATOM 80 CG GLN A 7 -28.539 15.068 -30.169 1.00 0.00 C ATOM 81 CD GLN A 7 -28.081 16.497 -30.464 1.00 0.00 C ATOM 82 OE1 GLN A 7 -27.296 17.088 -29.739 1.00 0.00 O ATOM 83 NE2 GLN A 7 -28.612 17.019 -31.566 1.00 0.00 N ATOM 0 H GLN A 7 -31.405 13.743 -29.387 1.00 0.00 H new ATOM 0 HA GLN A 7 -29.962 14.574 -27.068 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -28.049 15.605 -28.138 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -28.027 13.879 -28.444 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -27.868 14.360 -30.656 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -29.532 14.907 -30.588 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -29.263 16.470 -32.128 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -28.368 17.968 -31.849 1.00 0.00 H new ATOM 92 N LYS A 8 -30.392 17.048 -27.825 1.00 0.00 N ATOM 93 CA LYS A 8 -31.052 18.327 -28.028 1.00 0.00 C ATOM 94 C LYS A 8 -30.706 18.859 -29.420 1.00 0.00 C ATOM 95 O LYS A 8 -29.541 19.111 -29.720 1.00 0.00 O ATOM 96 CB LYS A 8 -30.705 19.295 -26.896 1.00 0.00 C ATOM 97 CG LYS A 8 -31.690 20.465 -26.853 1.00 0.00 C ATOM 98 CD LYS A 8 -32.850 20.171 -25.900 1.00 0.00 C ATOM 99 CE LYS A 8 -33.135 21.371 -24.996 1.00 0.00 C ATOM 100 NZ LYS A 8 -34.544 21.803 -25.135 1.00 0.00 N ATOM 0 H LYS A 8 -29.616 17.069 -27.164 1.00 0.00 H new ATOM 0 HA LYS A 8 -32.135 18.207 -27.992 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -30.721 18.766 -25.943 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -29.692 19.673 -27.034 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -31.172 21.369 -26.533 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -32.077 20.656 -27.854 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -33.743 19.924 -26.474 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -32.612 19.300 -25.290 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -32.930 21.109 -23.958 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -32.469 22.194 -25.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -34.720 22.619 -24.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -34.729 22.073 -26.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -35.175 21.021 -24.866 1.00 0.00 H new ATOM 114 N GLN A 9 -31.741 19.014 -30.233 1.00 0.00 N ATOM 115 CA GLN A 9 -31.561 19.513 -31.586 1.00 0.00 C ATOM 116 C GLN A 9 -31.626 21.041 -31.602 1.00 0.00 C ATOM 117 O GLN A 9 -32.200 21.651 -30.702 1.00 0.00 O ATOM 118 CB GLN A 9 -32.600 18.910 -32.534 1.00 0.00 C ATOM 119 CG GLN A 9 -31.925 18.248 -33.737 1.00 0.00 C ATOM 120 CD GLN A 9 -32.858 18.232 -34.950 1.00 0.00 C ATOM 121 OE1 GLN A 9 -34.009 17.833 -34.875 1.00 0.00 O ATOM 122 NE2 GLN A 9 -32.300 18.688 -36.069 1.00 0.00 N ATOM 0 H GLN A 9 -32.707 18.803 -29.981 1.00 0.00 H new ATOM 0 HA GLN A 9 -30.575 19.208 -31.937 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -33.202 18.175 -32.000 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -33.280 19.690 -32.877 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -31.009 18.785 -33.985 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -31.638 17.228 -33.481 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -31.331 19.007 -36.062 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -32.841 18.719 -36.933 1.00 0.00 H new ATOM 131 N ASP A 10 -31.029 21.616 -32.637 1.00 0.00 N ATOM 132 CA ASP A 10 -31.012 23.062 -32.782 1.00 0.00 C ATOM 133 C ASP A 10 -30.268 23.680 -31.596 1.00 0.00 C ATOM 134 O ASP A 10 -30.304 23.145 -30.488 1.00 0.00 O ATOM 135 CB ASP A 10 -32.432 23.631 -32.798 1.00 0.00 C ATOM 136 CG ASP A 10 -33.332 23.091 -33.911 1.00 0.00 C ATOM 137 OD1 ASP A 10 -33.003 22.003 -34.430 1.00 0.00 O ATOM 138 OD2 ASP A 10 -34.329 23.778 -34.218 1.00 0.00 O ATOM 0 H ASP A 10 -30.554 21.107 -33.382 1.00 0.00 H new ATOM 0 HA ASP A 10 -30.518 23.301 -33.724 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -32.902 23.421 -31.837 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -32.372 24.715 -32.894 1.00 0.00 H new ATOM 143 N ARG A 11 -29.612 24.798 -31.868 1.00 0.00 N ATOM 144 CA ARG A 11 -28.861 25.495 -30.838 1.00 0.00 C ATOM 145 C ARG A 11 -27.915 24.527 -30.123 1.00 0.00 C ATOM 146 O ARG A 11 -28.261 23.970 -29.083 1.00 0.00 O ATOM 147 CB ARG A 11 -29.798 26.133 -29.810 1.00 0.00 C ATOM 148 CG ARG A 11 -29.005 26.886 -28.740 1.00 0.00 C ATOM 149 CD ARG A 11 -28.950 28.383 -29.051 1.00 0.00 C ATOM 150 NE ARG A 11 -28.370 29.118 -27.904 1.00 0.00 N ATOM 151 CZ ARG A 11 -27.822 30.337 -27.992 1.00 0.00 C ATOM 152 NH1 ARG A 11 -27.776 30.967 -29.174 1.00 0.00 N ATOM 153 NH2 ARG A 11 -27.319 30.927 -26.899 1.00 0.00 N ATOM 0 H ARG A 11 -29.585 25.239 -32.787 1.00 0.00 H new ATOM 0 HA ARG A 11 -28.283 26.281 -31.324 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -30.481 26.818 -30.311 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -30.408 25.361 -29.340 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -29.465 26.730 -27.764 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -27.993 26.485 -28.683 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -28.350 28.555 -29.945 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -29.952 28.756 -29.263 1.00 0.00 H new ATOM 0 HE ARG A 11 -28.389 28.668 -26.989 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -28.158 30.518 -30.006 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -27.359 31.895 -29.241 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -27.353 30.448 -25.999 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -26.902 31.855 -26.967 1.00 0.00 H new ATOM 167 N GLN A 12 -26.741 24.356 -30.712 1.00 0.00 N ATOM 168 CA GLN A 12 -25.742 23.465 -30.145 1.00 0.00 C ATOM 169 C GLN A 12 -24.453 23.521 -30.966 1.00 0.00 C ATOM 170 O GLN A 12 -24.197 22.643 -31.788 1.00 0.00 O ATOM 171 CB GLN A 12 -26.274 22.033 -30.055 1.00 0.00 C ATOM 172 CG GLN A 12 -25.584 21.261 -28.929 1.00 0.00 C ATOM 173 CD GLN A 12 -26.116 21.696 -27.561 1.00 0.00 C ATOM 174 OE1 GLN A 12 -27.297 21.609 -27.270 1.00 0.00 O ATOM 175 NE2 GLN A 12 -25.180 22.168 -26.742 1.00 0.00 N ATOM 0 H GLN A 12 -26.459 24.819 -31.576 1.00 0.00 H new ATOM 0 HA GLN A 12 -25.518 23.799 -29.132 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -27.350 22.051 -29.882 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -26.113 21.521 -31.004 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -25.747 20.192 -29.063 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -24.508 21.428 -28.975 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -24.209 22.213 -27.050 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -25.434 22.485 -25.806 1.00 0.00 H new ATOM 184 N GLY A 13 -23.673 24.563 -30.714 1.00 0.00 N ATOM 185 CA GLY A 13 -22.417 24.745 -31.421 1.00 0.00 C ATOM 186 C GLY A 13 -21.279 25.051 -30.444 1.00 0.00 C ATOM 187 O GLY A 13 -21.098 26.197 -30.035 1.00 0.00 O ATOM 0 H GLY A 13 -23.887 25.289 -30.030 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -22.181 23.845 -31.989 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -22.514 25.559 -32.139 1.00 0.00 H new ATOM 191 N GLY A 14 -20.541 24.006 -30.099 1.00 0.00 N ATOM 192 CA GLY A 14 -19.426 24.149 -29.179 1.00 0.00 C ATOM 193 C GLY A 14 -19.787 23.613 -27.792 1.00 0.00 C ATOM 194 O GLY A 14 -20.832 22.988 -27.617 1.00 0.00 O ATOM 0 H GLY A 14 -20.694 23.057 -30.440 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -18.560 23.613 -29.566 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -19.144 25.199 -29.105 1.00 0.00 H new ATOM 198 N GLU A 15 -18.904 23.878 -26.842 1.00 0.00 N ATOM 199 CA GLU A 15 -19.117 23.431 -25.475 1.00 0.00 C ATOM 200 C GLU A 15 -19.206 21.904 -25.425 1.00 0.00 C ATOM 201 O GLU A 15 -20.044 21.306 -26.098 1.00 0.00 O ATOM 202 CB GLU A 15 -20.369 24.074 -24.877 1.00 0.00 C ATOM 203 CG GLU A 15 -20.033 25.405 -24.202 1.00 0.00 C ATOM 204 CD GLU A 15 -20.619 25.466 -22.789 1.00 0.00 C ATOM 205 OE1 GLU A 15 -21.862 25.383 -22.687 1.00 0.00 O ATOM 206 OE2 GLU A 15 -19.811 25.596 -21.845 1.00 0.00 O ATOM 0 H GLU A 15 -18.039 24.397 -26.991 1.00 0.00 H new ATOM 0 HA GLU A 15 -18.265 23.746 -24.872 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -21.109 24.236 -25.661 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -20.818 23.397 -24.150 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.951 25.531 -24.157 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -20.425 26.229 -24.798 1.00 0.00 H new ATOM 213 N ARG A 16 -18.331 21.318 -24.621 1.00 0.00 N ATOM 214 CA ARG A 16 -18.301 19.873 -24.474 1.00 0.00 C ATOM 215 C ARG A 16 -17.838 19.217 -25.776 1.00 0.00 C ATOM 216 O ARG A 16 -18.440 19.423 -26.828 1.00 0.00 O ATOM 217 CB ARG A 16 -19.682 19.329 -24.099 1.00 0.00 C ATOM 218 CG ARG A 16 -19.735 18.942 -22.620 1.00 0.00 C ATOM 219 CD ARG A 16 -21.178 18.700 -22.169 1.00 0.00 C ATOM 220 NE ARG A 16 -21.452 17.247 -22.110 1.00 0.00 N ATOM 221 CZ ARG A 16 -22.681 16.717 -22.051 1.00 0.00 C ATOM 222 NH1 ARG A 16 -23.756 17.517 -22.041 1.00 0.00 N ATOM 223 NH2 ARG A 16 -22.835 15.386 -22.001 1.00 0.00 N ATOM 0 H ARG A 16 -17.637 21.818 -24.065 1.00 0.00 H new ATOM 0 HA ARG A 16 -17.600 19.635 -23.674 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.443 20.081 -24.309 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -19.914 18.460 -24.715 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -19.142 18.042 -22.454 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -19.289 19.733 -22.017 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.342 19.150 -21.190 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.870 19.181 -22.861 1.00 0.00 H new ATOM 0 HE ARG A 16 -20.656 16.609 -22.115 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -23.639 18.530 -22.078 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -24.692 17.113 -21.996 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -22.017 14.777 -22.008 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -23.771 14.982 -21.956 1.00 0.00 H new ATOM 237 N ARG A 17 -16.771 18.438 -25.662 1.00 0.00 N ATOM 238 CA ARG A 17 -16.221 17.750 -26.817 1.00 0.00 C ATOM 239 C ARG A 17 -14.985 16.944 -26.414 1.00 0.00 C ATOM 240 O ARG A 17 -13.937 17.514 -26.113 1.00 0.00 O ATOM 241 CB ARG A 17 -15.837 18.741 -27.917 1.00 0.00 C ATOM 242 CG ARG A 17 -16.307 18.247 -29.287 1.00 0.00 C ATOM 243 CD ARG A 17 -15.226 18.464 -30.348 1.00 0.00 C ATOM 244 NE ARG A 17 -15.515 19.693 -31.121 1.00 0.00 N ATOM 245 CZ ARG A 17 -16.415 19.764 -32.110 1.00 0.00 C ATOM 246 NH1 ARG A 17 -17.121 18.677 -32.454 1.00 0.00 N ATOM 247 NH2 ARG A 17 -16.611 20.922 -32.757 1.00 0.00 N ATOM 0 H ARG A 17 -16.274 18.269 -24.788 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.989 17.079 -27.200 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.280 19.714 -27.706 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -14.756 18.878 -27.927 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.558 17.188 -29.229 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -17.216 18.775 -29.576 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.249 18.545 -29.872 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -15.184 17.605 -31.017 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.996 20.539 -30.885 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.973 17.796 -31.962 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.806 18.731 -33.207 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.074 21.749 -32.496 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.297 20.976 -33.510 1.00 0.00 H new ATOM 261 N ARG A 18 -15.147 15.628 -26.421 1.00 0.00 N ATOM 262 CA ARG A 18 -14.058 14.738 -26.060 1.00 0.00 C ATOM 263 C ARG A 18 -14.112 13.463 -26.906 1.00 0.00 C ATOM 264 O ARG A 18 -14.509 12.407 -26.418 1.00 0.00 O ATOM 265 CB ARG A 18 -14.121 14.362 -24.578 1.00 0.00 C ATOM 266 CG ARG A 18 -13.369 15.381 -23.721 1.00 0.00 C ATOM 267 CD ARG A 18 -13.668 15.173 -22.234 1.00 0.00 C ATOM 268 NE ARG A 18 -13.414 16.425 -21.487 1.00 0.00 N ATOM 269 CZ ARG A 18 -14.258 17.466 -21.460 1.00 0.00 C ATOM 270 NH1 ARG A 18 -15.414 17.411 -22.137 1.00 0.00 N ATOM 271 NH2 ARG A 18 -13.946 18.562 -20.756 1.00 0.00 N ATOM 0 H ARG A 18 -16.017 15.158 -26.671 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.123 15.265 -26.249 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.161 14.309 -24.257 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.691 13.371 -24.432 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.297 15.289 -23.897 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.655 16.391 -24.015 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.705 14.866 -22.103 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.045 14.371 -21.838 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.544 16.500 -20.961 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.652 16.577 -22.673 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.056 18.204 -22.116 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.067 18.604 -20.241 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.588 19.355 -20.735 1.00 0.00 H new ATOM 285 N SER A 19 -13.705 13.606 -28.159 1.00 0.00 N ATOM 286 CA SER A 19 -13.702 12.480 -29.077 1.00 0.00 C ATOM 287 C SER A 19 -15.033 11.730 -28.991 1.00 0.00 C ATOM 288 O SER A 19 -15.058 10.500 -28.999 1.00 0.00 O ATOM 289 CB SER A 19 -12.538 11.532 -28.782 1.00 0.00 C ATOM 290 OG SER A 19 -11.706 11.336 -29.922 1.00 0.00 O ATOM 0 H SER A 19 -13.375 14.484 -28.560 1.00 0.00 H new ATOM 0 HA SER A 19 -13.574 12.865 -30.089 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.942 11.934 -27.963 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.929 10.571 -28.449 1.00 0.00 H new ATOM 0 HG SER A 19 -10.974 10.726 -29.692 1.00 0.00 H new ATOM 296 N GLN A 20 -16.106 12.502 -28.908 1.00 0.00 N ATOM 297 CA GLN A 20 -17.437 11.926 -28.819 1.00 0.00 C ATOM 298 C GLN A 20 -17.479 10.851 -27.732 1.00 0.00 C ATOM 299 O GLN A 20 -18.010 9.763 -27.950 1.00 0.00 O ATOM 300 CB GLN A 20 -17.880 11.358 -30.169 1.00 0.00 C ATOM 301 CG GLN A 20 -19.142 12.061 -30.672 1.00 0.00 C ATOM 302 CD GLN A 20 -18.788 13.253 -31.564 1.00 0.00 C ATOM 303 OE1 GLN A 20 -17.985 13.161 -32.479 1.00 0.00 O ATOM 304 NE2 GLN A 20 -19.430 14.374 -31.248 1.00 0.00 N ATOM 0 H GLN A 20 -16.081 13.522 -28.900 1.00 0.00 H new ATOM 0 HA GLN A 20 -18.136 12.717 -28.547 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.078 11.476 -30.898 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -18.069 10.289 -30.073 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.758 11.355 -31.230 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -19.736 12.401 -29.823 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.089 14.382 -30.470 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.263 15.226 -31.784 1.00 0.00 H new ATOM 313 N LEU A 21 -16.913 11.193 -26.584 1.00 0.00 N ATOM 314 CA LEU A 21 -16.879 10.271 -25.462 1.00 0.00 C ATOM 315 C LEU A 21 -17.982 10.641 -24.470 1.00 0.00 C ATOM 316 O LEU A 21 -17.880 11.646 -23.767 1.00 0.00 O ATOM 317 CB LEU A 21 -15.481 10.234 -24.841 1.00 0.00 C ATOM 318 CG LEU A 21 -15.348 9.448 -23.535 1.00 0.00 C ATOM 319 CD1 LEU A 21 -15.716 10.318 -22.331 1.00 0.00 C ATOM 320 CD2 LEU A 21 -16.171 8.159 -23.584 1.00 0.00 C ATOM 0 H LEU A 21 -16.474 12.097 -26.407 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.080 9.254 -25.799 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.792 9.808 -25.570 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.158 11.259 -24.659 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.304 9.159 -23.416 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.613 9.735 -21.416 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.051 11.181 -22.289 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.747 10.659 -22.430 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.059 7.620 -22.643 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -17.222 8.404 -23.739 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.820 7.534 -24.405 1.00 0.00 H new ATOM 332 N ASP A 22 -19.014 9.809 -24.443 1.00 0.00 N ATOM 333 CA ASP A 22 -20.136 10.036 -23.549 1.00 0.00 C ATOM 334 C ASP A 22 -19.672 9.861 -22.101 1.00 0.00 C ATOM 335 O ASP A 22 -18.665 9.204 -21.844 1.00 0.00 O ATOM 336 CB ASP A 22 -21.261 9.033 -23.810 1.00 0.00 C ATOM 337 CG ASP A 22 -22.659 9.514 -23.420 1.00 0.00 C ATOM 338 OD1 ASP A 22 -22.881 10.742 -23.501 1.00 0.00 O ATOM 339 OD2 ASP A 22 -23.476 8.643 -23.049 1.00 0.00 O ATOM 0 H ASP A 22 -19.096 8.976 -25.027 1.00 0.00 H new ATOM 0 HA ASP A 22 -20.507 11.046 -23.723 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -21.263 8.780 -24.870 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -21.043 8.115 -23.264 1.00 0.00 H new ATOM 344 N ARG A 23 -20.429 10.460 -21.194 1.00 0.00 N ATOM 345 CA ARG A 23 -20.109 10.377 -19.779 1.00 0.00 C ATOM 346 C ARG A 23 -20.315 8.949 -19.270 1.00 0.00 C ATOM 347 O ARG A 23 -19.990 8.641 -18.124 1.00 0.00 O ATOM 348 CB ARG A 23 -20.979 11.334 -18.961 1.00 0.00 C ATOM 349 CG ARG A 23 -20.540 12.785 -19.164 1.00 0.00 C ATOM 350 CD ARG A 23 -19.214 13.062 -18.453 1.00 0.00 C ATOM 351 NE ARG A 23 -19.432 13.154 -16.992 1.00 0.00 N ATOM 352 CZ ARG A 23 -18.448 13.169 -16.084 1.00 0.00 C ATOM 353 NH1 ARG A 23 -17.170 13.098 -16.482 1.00 0.00 N ATOM 354 NH2 ARG A 23 -18.740 13.255 -14.779 1.00 0.00 N ATOM 0 H ARG A 23 -21.263 11.005 -21.411 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.064 10.661 -19.658 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.023 11.222 -19.254 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.915 11.076 -17.904 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.435 12.991 -20.229 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.308 13.458 -18.783 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.501 12.267 -18.673 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.780 13.991 -18.823 1.00 0.00 H new ATOM 0 HE ARG A 23 -20.393 13.210 -16.655 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.948 13.033 -17.475 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.419 13.109 -15.791 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.713 13.309 -14.477 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.990 13.266 -14.088 1.00 0.00 H new ATOM 368 N ASP A 24 -20.852 8.114 -20.148 1.00 0.00 N ATOM 369 CA ASP A 24 -21.105 6.726 -19.802 1.00 0.00 C ATOM 370 C ASP A 24 -20.524 5.821 -20.889 1.00 0.00 C ATOM 371 O ASP A 24 -20.955 4.679 -21.048 1.00 0.00 O ATOM 372 CB ASP A 24 -22.606 6.447 -19.707 1.00 0.00 C ATOM 373 CG ASP A 24 -23.202 6.585 -18.304 1.00 0.00 C ATOM 374 OD1 ASP A 24 -22.585 7.309 -17.493 1.00 0.00 O ATOM 375 OD2 ASP A 24 -24.262 5.964 -18.074 1.00 0.00 O ATOM 0 H ASP A 24 -21.119 8.372 -21.098 1.00 0.00 H new ATOM 0 HA ASP A 24 -20.640 6.529 -18.836 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.130 7.129 -20.377 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -22.796 5.436 -20.068 1.00 0.00 H new ATOM 380 N GLN A 25 -19.554 6.363 -21.611 1.00 0.00 N ATOM 381 CA GLN A 25 -18.909 5.618 -22.678 1.00 0.00 C ATOM 382 C GLN A 25 -17.517 5.160 -22.240 1.00 0.00 C ATOM 383 O GLN A 25 -17.115 5.385 -21.099 1.00 0.00 O ATOM 384 CB GLN A 25 -18.836 6.449 -23.960 1.00 0.00 C ATOM 385 CG GLN A 25 -19.661 5.809 -25.077 1.00 0.00 C ATOM 386 CD GLN A 25 -19.636 6.671 -26.341 1.00 0.00 C ATOM 387 OE1 GLN A 25 -20.512 7.484 -26.586 1.00 0.00 O ATOM 388 NE2 GLN A 25 -18.586 6.451 -27.126 1.00 0.00 N ATOM 0 H GLN A 25 -19.199 7.310 -21.478 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.509 4.734 -22.892 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.202 7.457 -23.765 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.798 6.543 -24.278 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.268 4.817 -25.301 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -20.690 5.676 -24.743 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.889 5.755 -26.862 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.478 6.978 -27.993 1.00 0.00 H new ATOM 397 N CYS A 26 -16.816 4.528 -23.171 1.00 0.00 N ATOM 398 CA CYS A 26 -15.477 4.037 -22.894 1.00 0.00 C ATOM 399 C CYS A 26 -14.507 4.716 -23.864 1.00 0.00 C ATOM 400 O CYS A 26 -14.733 4.718 -25.073 1.00 0.00 O ATOM 401 CB CYS A 26 -15.402 2.512 -22.989 1.00 0.00 C ATOM 402 SG CYS A 26 -13.677 1.953 -22.746 1.00 0.00 S ATOM 0 H CYS A 26 -17.150 4.345 -24.117 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.201 4.286 -21.869 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -16.049 2.060 -22.237 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -15.766 2.182 -23.962 1.00 0.00 H new ATOM 407 N ALA A 27 -13.449 5.276 -23.297 1.00 0.00 N ATOM 408 CA ALA A 27 -12.444 5.957 -24.096 1.00 0.00 C ATOM 409 C ALA A 27 -11.265 5.012 -24.338 1.00 0.00 C ATOM 410 O ALA A 27 -10.116 5.447 -24.379 1.00 0.00 O ATOM 411 CB ALA A 27 -12.022 7.249 -23.394 1.00 0.00 C ATOM 0 H ALA A 27 -13.266 5.272 -22.294 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.850 6.233 -25.069 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.268 7.759 -23.994 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.890 7.898 -23.273 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.607 7.012 -22.414 1.00 0.00 H new ATOM 417 N TYR A 28 -11.591 3.737 -24.492 1.00 0.00 N ATOM 418 CA TYR A 28 -10.573 2.728 -24.729 1.00 0.00 C ATOM 419 C TYR A 28 -10.935 1.858 -25.935 1.00 0.00 C ATOM 420 O TYR A 28 -10.147 1.732 -26.871 1.00 0.00 O ATOM 421 CB TYR A 28 -10.547 1.853 -23.474 1.00 0.00 C ATOM 422 CG TYR A 28 -9.222 1.120 -23.254 1.00 0.00 C ATOM 423 CD1 TYR A 28 -8.114 1.815 -22.812 1.00 0.00 C ATOM 424 CD2 TYR A 28 -9.134 -0.235 -23.498 1.00 0.00 C ATOM 425 CE1 TYR A 28 -6.867 1.125 -22.605 1.00 0.00 C ATOM 426 CE2 TYR A 28 -7.888 -0.926 -23.291 1.00 0.00 C ATOM 427 CZ TYR A 28 -6.816 -0.211 -22.855 1.00 0.00 C ATOM 428 OH TYR A 28 -5.638 -0.862 -22.659 1.00 0.00 O ATOM 0 H TYR A 28 -12.546 3.380 -24.457 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.609 3.195 -24.934 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.754 2.477 -22.604 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.350 1.119 -23.539 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.182 2.876 -22.622 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.001 -0.778 -23.845 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.992 1.656 -22.259 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.806 -1.987 -23.477 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.798 -1.829 -22.641 1.00 0.00 H new ATOM 438 N CYS A 29 -12.125 1.281 -25.872 1.00 0.00 N ATOM 439 CA CYS A 29 -12.599 0.426 -26.947 1.00 0.00 C ATOM 440 C CYS A 29 -13.709 1.168 -27.696 1.00 0.00 C ATOM 441 O CYS A 29 -14.078 0.784 -28.806 1.00 0.00 O ATOM 442 CB CYS A 29 -13.074 -0.932 -26.424 1.00 0.00 C ATOM 443 SG CYS A 29 -14.537 -0.711 -25.348 1.00 0.00 S ATOM 0 H CYS A 29 -12.775 1.388 -25.094 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.779 0.211 -27.632 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.322 -1.586 -27.260 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -12.272 -1.417 -25.867 1.00 0.00 H new ATOM 448 N LYS A 30 -14.208 2.216 -27.060 1.00 0.00 N ATOM 449 CA LYS A 30 -15.268 3.016 -27.653 1.00 0.00 C ATOM 450 C LYS A 30 -16.619 2.355 -27.369 1.00 0.00 C ATOM 451 O LYS A 30 -17.585 2.569 -28.100 1.00 0.00 O ATOM 452 CB LYS A 30 -14.998 3.245 -29.142 1.00 0.00 C ATOM 453 CG LYS A 30 -13.543 3.659 -29.378 1.00 0.00 C ATOM 454 CD LYS A 30 -13.397 5.183 -29.354 1.00 0.00 C ATOM 455 CE LYS A 30 -12.304 5.613 -28.373 1.00 0.00 C ATOM 456 NZ LYS A 30 -11.303 6.465 -29.054 1.00 0.00 N ATOM 0 H LYS A 30 -13.899 2.531 -26.140 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.295 4.007 -27.201 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.216 2.334 -29.699 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.666 4.018 -29.522 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.906 3.217 -28.612 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.202 3.272 -30.338 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.156 5.545 -30.354 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.346 5.639 -29.070 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.748 6.158 -27.540 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.816 4.733 -27.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.568 6.748 -28.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.867 5.933 -29.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.770 7.314 -29.433 1.00 0.00 H new ATOM 470 N GLU A 31 -16.643 1.568 -26.304 1.00 0.00 N ATOM 471 CA GLU A 31 -17.859 0.875 -25.914 1.00 0.00 C ATOM 472 C GLU A 31 -18.702 1.760 -24.993 1.00 0.00 C ATOM 473 O GLU A 31 -18.165 2.596 -24.268 1.00 0.00 O ATOM 474 CB GLU A 31 -17.538 -0.463 -25.245 1.00 0.00 C ATOM 475 CG GLU A 31 -18.818 -1.180 -24.811 1.00 0.00 C ATOM 476 CD GLU A 31 -18.634 -2.700 -24.846 1.00 0.00 C ATOM 477 OE1 GLU A 31 -17.520 -3.127 -25.218 1.00 0.00 O ATOM 478 OE2 GLU A 31 -19.611 -3.397 -24.500 1.00 0.00 O ATOM 0 H GLU A 31 -15.840 1.395 -25.699 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.438 0.664 -26.813 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.980 -1.094 -25.936 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.899 -0.296 -24.378 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.091 -0.866 -23.804 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -19.640 -0.894 -25.468 1.00 0.00 H new ATOM 485 N LYS A 32 -20.009 1.546 -25.053 1.00 0.00 N ATOM 486 CA LYS A 32 -20.930 2.314 -24.233 1.00 0.00 C ATOM 487 C LYS A 32 -21.553 1.397 -23.178 1.00 0.00 C ATOM 488 O LYS A 32 -22.131 0.364 -23.511 1.00 0.00 O ATOM 489 CB LYS A 32 -21.959 3.028 -25.111 1.00 0.00 C ATOM 490 CG LYS A 32 -21.325 3.516 -26.415 1.00 0.00 C ATOM 491 CD LYS A 32 -21.842 2.715 -27.610 1.00 0.00 C ATOM 492 CE LYS A 32 -22.226 3.640 -28.766 1.00 0.00 C ATOM 493 NZ LYS A 32 -22.971 2.893 -29.804 1.00 0.00 N ATOM 0 H LYS A 32 -20.451 0.852 -25.656 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.399 3.101 -23.698 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.783 2.351 -25.335 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.380 3.874 -24.568 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -21.547 4.573 -26.558 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -20.241 3.424 -26.353 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -21.076 2.013 -27.940 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -22.707 2.124 -27.309 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -22.836 4.463 -28.394 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -21.328 4.080 -29.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -23.224 3.537 -30.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -22.376 2.123 -30.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -23.837 2.494 -29.390 1.00 0.00 H new ATOM 507 N GLY A 33 -21.413 1.809 -21.926 1.00 0.00 N ATOM 508 CA GLY A 33 -21.954 1.038 -20.820 1.00 0.00 C ATOM 509 C GLY A 33 -20.929 0.904 -19.692 1.00 0.00 C ATOM 510 O GLY A 33 -21.298 0.766 -18.526 1.00 0.00 O ATOM 0 H GLY A 33 -20.933 2.667 -21.654 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.855 1.521 -20.442 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.246 0.048 -21.171 1.00 0.00 H new ATOM 514 N HIS A 34 -19.663 0.949 -20.078 1.00 0.00 N ATOM 515 CA HIS A 34 -18.582 0.835 -19.113 1.00 0.00 C ATOM 516 C HIS A 34 -17.580 1.971 -19.329 1.00 0.00 C ATOM 517 O HIS A 34 -17.586 2.620 -20.373 1.00 0.00 O ATOM 518 CB HIS A 34 -17.933 -0.549 -19.185 1.00 0.00 C ATOM 519 CG HIS A 34 -17.150 -0.795 -20.453 1.00 0.00 C ATOM 520 ND1 HIS A 34 -17.629 -1.573 -21.492 1.00 0.00 N ATOM 521 CD2 HIS A 34 -15.917 -0.356 -20.837 1.00 0.00 C ATOM 522 CE1 HIS A 34 -16.718 -1.596 -22.452 1.00 0.00 C ATOM 523 NE2 HIS A 34 -15.656 -0.841 -22.045 1.00 0.00 N ATOM 0 H HIS A 34 -19.361 1.063 -21.046 1.00 0.00 H new ATOM 0 HA HIS A 34 -18.979 0.934 -18.103 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -17.268 -0.672 -18.330 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -18.710 -1.308 -19.097 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -18.531 -2.048 -21.514 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.264 0.279 -20.257 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.800 -2.120 -23.393 1.00 0.00 H new ATOM 531 N TRP A 35 -16.743 2.176 -18.322 1.00 0.00 N ATOM 532 CA TRP A 35 -15.737 3.222 -18.388 1.00 0.00 C ATOM 533 C TRP A 35 -14.415 2.581 -18.815 1.00 0.00 C ATOM 534 O TRP A 35 -14.249 1.367 -18.713 1.00 0.00 O ATOM 535 CB TRP A 35 -15.636 3.970 -17.056 1.00 0.00 C ATOM 536 CG TRP A 35 -16.544 5.198 -16.961 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.830 5.302 -17.323 1.00 0.00 C ATOM 538 CD2 TRP A 35 -16.179 6.500 -16.455 1.00 0.00 C ATOM 539 NE1 TRP A 35 -18.319 6.572 -17.088 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.283 7.322 -16.544 1.00 0.00 C ATOM 541 CE3 TRP A 35 -14.957 6.966 -15.940 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.277 8.662 -16.135 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -14.966 8.306 -15.536 1.00 0.00 C ATOM 544 CH2 TRP A 35 -16.070 9.148 -15.618 1.00 0.00 C ATOM 0 H TRP A 35 -16.741 1.636 -17.457 1.00 0.00 H new ATOM 0 HA TRP A 35 -16.012 3.976 -19.126 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -15.884 3.284 -16.246 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -14.603 4.282 -16.904 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -18.410 4.495 -17.745 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -19.266 6.899 -17.279 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.081 6.340 -15.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -18.155 9.286 -16.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -14.052 8.715 -15.132 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -15.997 10.173 -15.284 1.00 0.00 H new ATOM 555 N ALA A 36 -13.509 3.427 -19.285 1.00 0.00 N ATOM 556 CA ALA A 36 -12.207 2.958 -19.728 1.00 0.00 C ATOM 557 C ALA A 36 -11.514 2.225 -18.577 1.00 0.00 C ATOM 558 O ALA A 36 -10.903 1.178 -18.782 1.00 0.00 O ATOM 559 CB ALA A 36 -11.386 4.141 -20.244 1.00 0.00 C ATOM 0 H ALA A 36 -13.651 4.434 -19.368 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.314 2.252 -20.551 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.409 3.789 -20.576 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.907 4.608 -21.080 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.256 4.870 -19.444 1.00 0.00 H new ATOM 565 N LYS A 37 -11.634 2.805 -17.391 1.00 0.00 N ATOM 566 CA LYS A 37 -11.027 2.221 -16.208 1.00 0.00 C ATOM 567 C LYS A 37 -11.729 0.901 -15.879 1.00 0.00 C ATOM 568 O LYS A 37 -11.262 0.139 -15.033 1.00 0.00 O ATOM 569 CB LYS A 37 -11.031 3.224 -15.052 1.00 0.00 C ATOM 570 CG LYS A 37 -9.949 4.288 -15.247 1.00 0.00 C ATOM 571 CD LYS A 37 -9.978 5.314 -14.113 1.00 0.00 C ATOM 572 CE LYS A 37 -11.010 6.409 -14.390 1.00 0.00 C ATOM 573 NZ LYS A 37 -10.431 7.745 -14.127 1.00 0.00 N ATOM 0 H LYS A 37 -12.143 3.673 -17.225 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.978 1.988 -16.394 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.008 3.702 -14.984 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.866 2.700 -14.110 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.969 3.812 -15.287 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.098 4.792 -16.202 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.215 4.816 -13.173 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.991 5.761 -13.997 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.344 6.348 -15.426 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.888 6.257 -13.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.144 8.477 -14.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.134 7.805 -13.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.607 7.894 -14.744 1.00 0.00 H new ATOM 587 N ASP A 38 -12.838 0.671 -16.565 1.00 0.00 N ATOM 588 CA ASP A 38 -13.610 -0.543 -16.355 1.00 0.00 C ATOM 589 C ASP A 38 -13.726 -1.302 -17.679 1.00 0.00 C ATOM 590 O ASP A 38 -14.544 -2.211 -17.808 1.00 0.00 O ATOM 591 CB ASP A 38 -15.024 -0.220 -15.869 1.00 0.00 C ATOM 592 CG ASP A 38 -15.398 -0.831 -14.517 1.00 0.00 C ATOM 593 OD1 ASP A 38 -14.910 -0.294 -13.499 1.00 0.00 O ATOM 594 OD2 ASP A 38 -16.163 -1.819 -14.533 1.00 0.00 O ATOM 0 H ASP A 38 -13.221 1.304 -17.267 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.099 -1.142 -15.602 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -15.131 0.863 -15.804 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.737 -0.566 -16.617 1.00 0.00 H new ATOM 599 N CYS A 39 -12.896 -0.900 -18.630 1.00 0.00 N ATOM 600 CA CYS A 39 -12.895 -1.531 -19.939 1.00 0.00 C ATOM 601 C CYS A 39 -12.486 -2.994 -19.766 1.00 0.00 C ATOM 602 O CYS A 39 -11.493 -3.291 -19.103 1.00 0.00 O ATOM 603 CB CYS A 39 -11.982 -0.794 -20.921 1.00 0.00 C ATOM 604 SG CYS A 39 -12.186 -1.485 -22.604 1.00 0.00 S ATOM 0 H CYS A 39 -12.219 -0.145 -18.520 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.895 -1.484 -20.370 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.221 0.270 -20.924 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.943 -0.887 -20.604 1.00 0.00 H new ATOM 609 N PRO A 40 -13.291 -3.894 -20.391 1.00 0.00 N ATOM 610 CA PRO A 40 -13.023 -5.320 -20.313 1.00 0.00 C ATOM 611 C PRO A 40 -11.842 -5.705 -21.206 1.00 0.00 C ATOM 612 O PRO A 40 -11.472 -6.876 -21.282 1.00 0.00 O ATOM 613 CB PRO A 40 -14.324 -5.989 -20.728 1.00 0.00 C ATOM 614 CG PRO A 40 -15.122 -4.926 -21.465 1.00 0.00 C ATOM 615 CD PRO A 40 -14.475 -3.580 -21.186 1.00 0.00 C ATOM 0 HA PRO A 40 -12.729 -5.638 -19.313 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.134 -6.849 -21.370 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.870 -6.355 -19.858 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.132 -5.130 -22.536 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.159 -4.927 -21.131 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.207 -3.071 -22.111 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.152 -2.920 -20.644 1.00 0.00 H new ATOM 623 N LYS A 41 -11.283 -4.698 -21.861 1.00 0.00 N ATOM 624 CA LYS A 41 -10.152 -4.917 -22.747 1.00 0.00 C ATOM 625 C LYS A 41 -8.903 -4.274 -22.139 1.00 0.00 C ATOM 626 O LYS A 41 -7.898 -4.091 -22.825 1.00 0.00 O ATOM 627 CB LYS A 41 -10.473 -4.422 -24.158 1.00 0.00 C ATOM 628 CG LYS A 41 -9.468 -4.972 -25.173 1.00 0.00 C ATOM 629 CD LYS A 41 -9.383 -4.067 -26.405 1.00 0.00 C ATOM 630 CE LYS A 41 -8.143 -4.394 -27.240 1.00 0.00 C ATOM 631 NZ LYS A 41 -8.319 -5.683 -27.946 1.00 0.00 N ATOM 0 H LYS A 41 -11.592 -3.728 -21.796 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.947 -5.983 -22.847 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.481 -4.730 -24.435 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.456 -3.332 -24.178 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.485 -5.054 -24.709 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.763 -5.977 -25.475 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.279 -4.190 -27.014 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.351 -3.023 -26.093 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.964 -3.598 -27.963 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.265 -4.443 -26.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.469 -5.890 -28.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.468 -6.442 -27.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.144 -5.624 -28.576 1.00 0.00 H new ATOM 645 N LYS A 42 -9.007 -3.949 -20.859 1.00 0.00 N ATOM 646 CA LYS A 42 -7.898 -3.331 -20.151 1.00 0.00 C ATOM 647 C LYS A 42 -7.185 -4.389 -19.307 1.00 0.00 C ATOM 648 O LYS A 42 -7.716 -4.842 -18.294 1.00 0.00 O ATOM 649 CB LYS A 42 -8.383 -2.125 -19.344 1.00 0.00 C ATOM 650 CG LYS A 42 -7.804 -0.824 -19.902 1.00 0.00 C ATOM 651 CD LYS A 42 -8.205 0.371 -19.034 1.00 0.00 C ATOM 652 CE LYS A 42 -6.969 1.091 -18.491 1.00 0.00 C ATOM 653 NZ LYS A 42 -7.358 2.080 -17.460 1.00 0.00 N ATOM 0 H LYS A 42 -9.842 -4.102 -20.293 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.166 -2.939 -20.857 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.472 -2.082 -19.367 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.090 -2.240 -18.300 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.717 -0.896 -19.949 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.158 -0.672 -20.922 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.807 1.065 -19.620 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.826 0.031 -18.205 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.276 0.366 -18.065 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.445 1.592 -19.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.755 2.923 -17.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.353 2.351 -17.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.240 1.661 -16.515 1.00 0.00 H new ATOM 667 N PRO A 43 -5.960 -4.762 -19.767 1.00 0.00 N ATOM 668 CA PRO A 43 -5.169 -5.758 -19.065 1.00 0.00 C ATOM 669 C PRO A 43 -4.551 -5.172 -17.794 1.00 0.00 C ATOM 670 O PRO A 43 -4.279 -3.973 -17.727 1.00 0.00 O ATOM 671 CB PRO A 43 -4.128 -6.216 -20.075 1.00 0.00 C ATOM 672 CG PRO A 43 -4.079 -5.136 -21.143 1.00 0.00 C ATOM 673 CD PRO A 43 -5.300 -4.247 -20.962 1.00 0.00 C ATOM 0 HA PRO A 43 -5.766 -6.601 -18.717 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.154 -6.342 -19.602 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.400 -7.179 -20.506 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.164 -4.551 -21.053 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.075 -5.582 -22.138 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.014 -3.203 -20.837 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.958 -4.296 -21.830 1.00 0.00 H new ATOM 681 N ARG A 44 -4.347 -6.043 -16.818 1.00 0.00 N ATOM 682 CA ARG A 44 -3.766 -5.627 -15.553 1.00 0.00 C ATOM 683 C ARG A 44 -4.602 -4.508 -14.927 1.00 0.00 C ATOM 684 O ARG A 44 -4.608 -3.382 -15.422 1.00 0.00 O ATOM 685 CB ARG A 44 -2.330 -5.135 -15.741 1.00 0.00 C ATOM 686 CG ARG A 44 -1.606 -5.026 -14.397 1.00 0.00 C ATOM 687 CD ARG A 44 -0.532 -3.936 -14.439 1.00 0.00 C ATOM 688 NE ARG A 44 0.804 -4.534 -14.220 1.00 0.00 N ATOM 689 CZ ARG A 44 1.517 -5.150 -15.173 1.00 0.00 C ATOM 690 NH1 ARG A 44 1.025 -5.255 -16.415 1.00 0.00 N ATOM 691 NH2 ARG A 44 2.720 -5.663 -14.883 1.00 0.00 N ATOM 0 H ARG A 44 -4.574 -7.036 -16.877 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.758 -6.494 -14.892 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.790 -5.820 -16.394 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.337 -4.163 -16.234 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.326 -4.802 -13.609 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.148 -5.983 -14.148 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.558 -3.425 -15.402 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.734 -3.186 -13.675 1.00 0.00 H new ATOM 0 HE ARG A 44 1.207 -4.473 -13.285 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.108 -4.866 -16.635 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.567 -5.724 -17.141 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.093 -5.585 -13.937 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.263 -6.132 -15.608 1.00 0.00 H new ATOM 705 N GLY A 45 -5.288 -4.858 -13.849 1.00 0.00 N ATOM 706 CA GLY A 45 -6.126 -3.898 -13.151 1.00 0.00 C ATOM 707 C GLY A 45 -7.193 -4.608 -12.315 1.00 0.00 C ATOM 708 O GLY A 45 -7.270 -5.834 -12.311 1.00 0.00 O ATOM 0 H GLY A 45 -5.281 -5.793 -13.442 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.509 -3.273 -12.505 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.605 -3.236 -13.872 1.00 0.00 H new ATOM 712 N PRO A 46 -8.010 -3.782 -11.606 1.00 0.00 N ATOM 713 CA PRO A 46 -7.850 -2.339 -11.666 1.00 0.00 C ATOM 714 C PRO A 46 -6.635 -1.888 -10.854 1.00 0.00 C ATOM 715 O PRO A 46 -6.472 -2.284 -9.700 1.00 0.00 O ATOM 716 CB PRO A 46 -9.160 -1.776 -11.136 1.00 0.00 C ATOM 717 CG PRO A 46 -9.821 -2.910 -10.370 1.00 0.00 C ATOM 718 CD PRO A 46 -9.103 -4.201 -10.734 1.00 0.00 C ATOM 0 HA PRO A 46 -7.656 -1.979 -12.676 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.982 -0.918 -10.488 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.796 -1.433 -11.952 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.762 -2.730 -9.297 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -10.879 -2.977 -10.625 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.729 -4.710 -9.846 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.771 -4.896 -11.242 1.00 0.00 H new ATOM 726 N ARG A 47 -5.811 -1.066 -11.488 1.00 0.00 N ATOM 727 CA ARG A 47 -4.616 -0.557 -10.839 1.00 0.00 C ATOM 728 C ARG A 47 -3.965 -1.652 -9.991 1.00 0.00 C ATOM 729 O ARG A 47 -4.122 -1.673 -8.771 1.00 0.00 O ATOM 730 CB ARG A 47 -4.941 0.643 -9.948 1.00 0.00 C ATOM 731 CG ARG A 47 -3.838 1.701 -10.029 1.00 0.00 C ATOM 732 CD ARG A 47 -2.638 1.310 -9.165 1.00 0.00 C ATOM 733 NE ARG A 47 -1.458 2.121 -9.540 1.00 0.00 N ATOM 734 CZ ARG A 47 -0.341 2.206 -8.806 1.00 0.00 C ATOM 735 NH1 ARG A 47 -0.244 1.530 -7.652 1.00 0.00 N ATOM 736 NH2 ARG A 47 0.680 2.967 -9.224 1.00 0.00 N ATOM 0 H ARG A 47 -5.948 -0.740 -12.445 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.925 -0.238 -11.620 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.892 1.080 -10.253 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.058 0.313 -8.916 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.521 1.822 -11.065 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.228 2.664 -9.701 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.873 1.461 -8.112 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.417 0.250 -9.293 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.498 2.648 -10.412 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.021 0.951 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.607 1.595 -7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.607 3.482 -10.101 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.530 3.031 -8.665 1.00 0.00 H new ATOM 750 N GLY A 48 -3.247 -2.534 -10.670 1.00 0.00 N ATOM 751 CA GLY A 48 -2.573 -3.629 -9.995 1.00 0.00 C ATOM 752 C GLY A 48 -3.287 -4.957 -10.253 1.00 0.00 C ATOM 753 O GLY A 48 -3.857 -5.161 -11.324 1.00 0.00 O ATOM 0 H GLY A 48 -3.117 -2.512 -11.681 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.541 -3.694 -10.341 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.538 -3.433 -8.923 1.00 0.00 H new ATOM 757 N PRO A 49 -3.230 -5.849 -9.228 1.00 0.00 N ATOM 758 CA PRO A 49 -3.866 -7.152 -9.334 1.00 0.00 C ATOM 759 C PRO A 49 -5.384 -7.034 -9.195 1.00 0.00 C ATOM 760 O PRO A 49 -5.895 -5.995 -8.777 1.00 0.00 O ATOM 761 CB PRO A 49 -3.232 -7.989 -8.235 1.00 0.00 C ATOM 762 CG PRO A 49 -2.610 -6.999 -7.263 1.00 0.00 C ATOM 763 CD PRO A 49 -2.564 -5.642 -7.946 1.00 0.00 C ATOM 0 HA PRO A 49 -3.714 -7.616 -10.308 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.977 -8.609 -7.737 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.478 -8.662 -8.643 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.196 -6.945 -6.346 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.607 -7.319 -6.982 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.074 -4.883 -7.353 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.537 -5.303 -8.083 1.00 0.00 H new ATOM 771 N ARG A 50 -6.065 -8.114 -9.553 1.00 0.00 N ATOM 772 CA ARG A 50 -7.515 -8.145 -9.472 1.00 0.00 C ATOM 773 C ARG A 50 -7.961 -8.760 -8.146 1.00 0.00 C ATOM 774 O ARG A 50 -7.276 -9.622 -7.595 1.00 0.00 O ATOM 775 CB ARG A 50 -8.113 -8.950 -10.627 1.00 0.00 C ATOM 776 CG ARG A 50 -7.683 -10.417 -10.553 1.00 0.00 C ATOM 777 CD ARG A 50 -6.776 -10.783 -11.729 1.00 0.00 C ATOM 778 NE ARG A 50 -6.625 -12.253 -11.814 1.00 0.00 N ATOM 779 CZ ARG A 50 -5.713 -12.954 -11.127 1.00 0.00 C ATOM 780 NH1 ARG A 50 -4.867 -12.325 -10.300 1.00 0.00 N ATOM 781 NH2 ARG A 50 -5.648 -14.286 -11.267 1.00 0.00 N ATOM 0 H ARG A 50 -5.639 -8.973 -9.900 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.872 -7.117 -9.536 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.201 -8.884 -10.596 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.794 -8.521 -11.577 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.159 -10.599 -9.615 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.564 -11.058 -10.556 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.198 -10.398 -12.658 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.799 -10.315 -11.605 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.254 -12.764 -12.434 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.917 -11.312 -10.193 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.173 -12.859 -9.777 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.293 -14.765 -11.896 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.954 -14.820 -10.744 1.00 0.00 H new ATOM 795 N PRO A 51 -9.136 -8.283 -7.655 1.00 0.00 N ATOM 796 CA PRO A 51 -9.681 -8.777 -6.403 1.00 0.00 C ATOM 797 C PRO A 51 -10.283 -10.173 -6.579 1.00 0.00 C ATOM 798 O PRO A 51 -10.096 -10.807 -7.616 1.00 0.00 O ATOM 799 CB PRO A 51 -10.707 -7.737 -5.981 1.00 0.00 C ATOM 800 CG PRO A 51 -11.032 -6.942 -7.236 1.00 0.00 C ATOM 801 CD PRO A 51 -9.974 -7.262 -8.279 1.00 0.00 C ATOM 0 HA PRO A 51 -8.919 -8.900 -5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.601 -8.212 -5.576 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.309 -7.089 -5.200 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.024 -7.202 -7.606 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.043 -5.874 -7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.425 -7.629 -9.201 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.393 -6.377 -8.538 1.00 0.00 H new ATOM 809 N GLN A 52 -10.993 -10.611 -5.550 1.00 0.00 N ATOM 810 CA GLN A 52 -11.623 -11.920 -5.579 1.00 0.00 C ATOM 811 C GLN A 52 -10.706 -12.936 -6.262 1.00 0.00 C ATOM 812 O GLN A 52 -11.166 -13.766 -7.044 1.00 0.00 O ATOM 813 CB GLN A 52 -12.986 -11.857 -6.271 1.00 0.00 C ATOM 814 CG GLN A 52 -12.828 -11.576 -7.767 1.00 0.00 C ATOM 815 CD GLN A 52 -12.878 -10.074 -8.050 1.00 0.00 C ATOM 816 OE1 GLN A 52 -12.711 -9.244 -7.171 1.00 0.00 O ATOM 817 NE2 GLN A 52 -13.115 -9.770 -9.323 1.00 0.00 N ATOM 0 H GLN A 52 -11.146 -10.083 -4.691 1.00 0.00 H new ATOM 0 HA GLN A 52 -11.789 -12.245 -4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -13.515 -12.800 -6.128 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.595 -11.077 -5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -11.881 -11.985 -8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.619 -12.081 -8.321 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -13.246 -10.513 -10.009 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -13.166 -8.793 -9.613 1.00 0.00 H new ATOM 826 N THR A 53 -9.423 -12.837 -5.943 1.00 0.00 N ATOM 827 CA THR A 53 -8.437 -13.736 -6.517 1.00 0.00 C ATOM 828 C THR A 53 -8.875 -15.191 -6.337 1.00 0.00 C ATOM 829 O THR A 53 -9.031 -15.661 -5.211 1.00 0.00 O ATOM 830 CB THR A 53 -7.084 -13.426 -5.875 1.00 0.00 C ATOM 831 OG1 THR A 53 -6.189 -14.351 -6.486 1.00 0.00 O ATOM 832 CG2 THR A 53 -7.042 -13.791 -4.390 1.00 0.00 C ATOM 0 H THR A 53 -9.044 -12.147 -5.294 1.00 0.00 H new ATOM 0 HA THR A 53 -8.344 -13.587 -7.593 1.00 0.00 H new ATOM 0 HB THR A 53 -6.861 -12.366 -5.994 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.287 -14.218 -6.128 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.059 -13.551 -3.984 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.804 -13.225 -3.855 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.232 -14.858 -4.272 1.00 0.00 H new ATOM 840 N SER A 54 -9.060 -15.863 -7.464 1.00 0.00 N ATOM 841 CA SER A 54 -9.476 -17.255 -7.446 1.00 0.00 C ATOM 842 C SER A 54 -10.761 -17.406 -6.629 1.00 0.00 C ATOM 843 O SER A 54 -11.208 -16.457 -5.986 1.00 0.00 O ATOM 844 CB SER A 54 -8.376 -18.151 -6.874 1.00 0.00 C ATOM 845 OG SER A 54 -8.565 -19.520 -7.227 1.00 0.00 O ATOM 0 H SER A 54 -8.929 -15.469 -8.396 1.00 0.00 H new ATOM 0 HA SER A 54 -9.666 -17.569 -8.472 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.406 -17.813 -7.239 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.359 -18.056 -5.788 1.00 0.00 H new ATOM 0 HG SER A 54 -7.842 -20.059 -6.845 1.00 0.00 H new ATOM 851 N LEU A 55 -11.320 -18.606 -6.681 1.00 0.00 N ATOM 852 CA LEU A 55 -12.545 -18.894 -5.954 1.00 0.00 C ATOM 853 C LEU A 55 -13.706 -18.139 -6.602 1.00 0.00 C ATOM 854 O LEU A 55 -14.619 -18.752 -7.154 1.00 0.00 O ATOM 855 CB LEU A 55 -12.368 -18.589 -4.464 1.00 0.00 C ATOM 856 CG LEU A 55 -13.318 -19.319 -3.513 1.00 0.00 C ATOM 857 CD1 LEU A 55 -12.818 -20.735 -3.220 1.00 0.00 C ATOM 858 CD2 LEU A 55 -13.539 -18.511 -2.232 1.00 0.00 C ATOM 0 H LEU A 55 -10.947 -19.391 -7.216 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.782 -19.956 -6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.344 -18.834 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -12.491 -17.516 -4.316 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.287 -19.415 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.511 -21.232 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.754 -21.298 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.832 -20.684 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.218 -19.052 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.585 -18.362 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.972 -17.543 -2.483 1.00 0.00 H new ATOM 870 N LEU A 56 -13.636 -16.819 -6.514 1.00 0.00 N ATOM 871 CA LEU A 56 -14.670 -15.974 -7.086 1.00 0.00 C ATOM 872 C LEU A 56 -15.964 -16.149 -6.288 1.00 0.00 C ATOM 873 O LEU A 56 -16.314 -15.297 -5.472 1.00 0.00 O ATOM 874 CB LEU A 56 -14.827 -16.256 -8.581 1.00 0.00 C ATOM 875 CG LEU A 56 -14.727 -15.042 -9.507 1.00 0.00 C ATOM 876 CD1 LEU A 56 -14.396 -15.469 -10.938 1.00 0.00 C ATOM 877 CD2 LEU A 56 -16.000 -14.196 -9.441 1.00 0.00 C ATOM 0 H LEU A 56 -12.878 -16.314 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.388 -14.924 -7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.065 -16.977 -8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.795 -16.731 -8.741 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.905 -14.415 -9.160 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.331 -14.587 -11.575 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.442 -15.996 -10.949 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.179 -16.129 -11.311 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.903 -13.340 -10.108 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.854 -14.800 -9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -16.151 -13.845 -8.420 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 517 -0.369 1.252 -25.609 1.00 0.00 P ATOM 891 OP1 U B 517 -1.340 1.849 -24.666 1.00 0.00 O ATOM 892 OP2 U B 517 0.641 0.325 -25.052 1.00 0.00 O ATOM 893 O5' U B 517 -1.192 0.469 -26.736 1.00 0.00 O ATOM 894 C5' U B 517 -0.726 0.463 -28.084 1.00 0.00 C ATOM 895 C4' U B 517 -1.647 -0.367 -28.948 1.00 0.00 C ATOM 896 O4' U B 517 -1.989 -1.484 -28.105 1.00 0.00 O ATOM 897 C3' U B 517 -3.099 0.103 -28.954 1.00 0.00 C ATOM 898 O3' U B 517 -3.261 1.132 -29.929 1.00 0.00 O ATOM 899 C2' U B 517 -3.910 -1.115 -29.297 1.00 0.00 C ATOM 900 O2' U B 517 -3.889 -1.114 -30.707 1.00 0.00 O ATOM 901 C1' U B 517 -3.079 -2.207 -28.631 1.00 0.00 C ATOM 902 N1 U B 517 -3.803 -2.931 -27.564 1.00 0.00 N ATOM 903 C2 U B 517 -3.827 -4.288 -27.666 1.00 0.00 C ATOM 904 O2 U B 517 -3.293 -4.909 -28.572 1.00 0.00 O ATOM 905 N3 U B 517 -4.501 -4.964 -26.674 1.00 0.00 N ATOM 906 C4 U B 517 -5.128 -4.344 -25.623 1.00 0.00 C ATOM 907 O4 U B 517 -5.700 -5.050 -24.794 1.00 0.00 O ATOM 908 C5 U B 517 -5.073 -2.927 -25.565 1.00 0.00 C ATOM 909 C6 U B 517 -4.413 -2.291 -26.537 1.00 0.00 C ATOM 0 H5' U B 517 0.286 0.060 -28.125 1.00 0.00 H new ATOM 0 H5'' U B 517 -0.678 1.483 -28.465 1.00 0.00 H new ATOM 0 H4' U B 517 -1.159 -0.436 -29.920 1.00 0.00 H new ATOM 0 H3' U B 517 -3.413 0.521 -27.998 1.00 0.00 H new ATOM 0 H2' U B 517 -4.949 -1.205 -28.980 1.00 0.00 H new ATOM 0 HO2' U B 517 -3.695 -0.210 -31.031 1.00 0.00 H new ATOM 0 H1' U B 517 -2.801 -2.994 -29.332 1.00 0.00 H new ATOM 0 H3 U B 517 -4.536 -5.982 -26.723 1.00 0.00 H new ATOM 0 H5 U B 517 -5.548 -2.382 -24.763 1.00 0.00 H new ATOM 0 H6 U B 517 -4.363 -1.213 -26.503 1.00 0.00 H new ATOM 920 P U B 518 -2.733 2.611 -29.625 1.00 0.00 P ATOM 921 OP1 U B 518 -1.617 2.940 -30.539 1.00 0.00 O ATOM 922 OP2 U B 518 -2.495 2.768 -28.173 1.00 0.00 O ATOM 923 O5' U B 518 -3.983 3.527 -30.023 1.00 0.00 O ATOM 924 C5' U B 518 -4.316 4.664 -29.228 1.00 0.00 C ATOM 925 C4' U B 518 -5.739 4.551 -28.730 1.00 0.00 C ATOM 926 O4' U B 518 -6.319 3.305 -29.224 1.00 0.00 O ATOM 927 C3' U B 518 -5.867 4.047 -27.295 1.00 0.00 C ATOM 928 O3' U B 518 -5.585 5.114 -26.392 1.00 0.00 O ATOM 929 C2' U B 518 -7.289 3.574 -27.165 1.00 0.00 C ATOM 930 O2' U B 518 -7.968 4.743 -26.766 1.00 0.00 O ATOM 931 C1' U B 518 -7.564 3.110 -28.593 1.00 0.00 C ATOM 932 N1 U B 518 -7.992 1.698 -28.680 1.00 0.00 N ATOM 933 C2 U B 518 -9.175 1.464 -29.311 1.00 0.00 C ATOM 934 O2 U B 518 -9.872 2.344 -29.790 1.00 0.00 O ATOM 935 N3 U B 518 -9.576 0.149 -29.394 1.00 0.00 N ATOM 936 C4 U B 518 -8.853 -0.898 -28.882 1.00 0.00 C ATOM 937 O4 U B 518 -9.308 -2.034 -29.015 1.00 0.00 O ATOM 938 C5 U B 518 -7.626 -0.598 -28.233 1.00 0.00 C ATOM 939 C6 U B 518 -7.257 0.683 -28.164 1.00 0.00 C ATOM 0 H5' U B 518 -4.199 5.575 -29.815 1.00 0.00 H new ATOM 0 H5'' U B 518 -3.632 4.740 -28.383 1.00 0.00 H new ATOM 0 H4' U B 518 -6.147 5.533 -28.971 1.00 0.00 H new ATOM 0 H3' U B 518 -5.169 3.243 -27.063 1.00 0.00 H new ATOM 0 H2' U B 518 -7.557 2.781 -26.467 1.00 0.00 H new ATOM 0 HO2' U B 518 -7.366 5.513 -26.840 1.00 0.00 H new ATOM 0 H1' U B 518 -8.389 3.657 -29.050 1.00 0.00 H new ATOM 0 H3 U B 518 -10.459 -0.057 -29.862 1.00 0.00 H new ATOM 0 H5 U B 518 -7.012 -1.380 -27.810 1.00 0.00 H new ATOM 0 H6 U B 518 -6.326 0.923 -27.672 1.00 0.00 H new ATOM 950 P U B 519 -4.720 4.838 -25.074 1.00 0.00 P ATOM 951 OP1 U B 519 -3.343 5.345 -25.266 1.00 0.00 O ATOM 952 OP2 U B 519 -4.876 3.425 -24.662 1.00 0.00 O ATOM 953 O5' U B 519 -5.436 5.755 -23.975 1.00 0.00 O ATOM 954 C5' U B 519 -6.738 6.280 -24.224 1.00 0.00 C ATOM 955 C4' U B 519 -7.476 6.482 -22.919 1.00 0.00 C ATOM 956 O4' U B 519 -7.594 5.195 -22.238 1.00 0.00 O ATOM 957 C3' U B 519 -6.647 7.149 -21.824 1.00 0.00 C ATOM 958 O3' U B 519 -6.734 8.566 -21.962 1.00 0.00 O ATOM 959 C2' U B 519 -7.253 6.683 -20.530 1.00 0.00 C ATOM 960 O2' U B 519 -8.427 7.460 -20.438 1.00 0.00 O ATOM 961 C1' U B 519 -7.469 5.203 -20.833 1.00 0.00 C ATOM 962 N1 U B 519 -6.352 4.342 -20.392 1.00 0.00 N ATOM 963 C2 U B 519 -6.206 4.184 -19.048 1.00 0.00 C ATOM 964 O2 U B 519 -6.937 4.708 -18.221 1.00 0.00 O ATOM 965 N3 U B 519 -5.167 3.382 -18.634 1.00 0.00 N ATOM 966 C4 U B 519 -4.300 2.757 -19.496 1.00 0.00 C ATOM 967 O4 U B 519 -3.406 2.064 -19.014 1.00 0.00 O ATOM 968 C5 U B 519 -4.496 2.957 -20.888 1.00 0.00 C ATOM 969 C6 U B 519 -5.510 3.738 -21.266 1.00 0.00 C ATOM 0 H5' U B 519 -7.297 5.598 -24.865 1.00 0.00 H new ATOM 0 H5'' U B 519 -6.661 7.227 -24.757 1.00 0.00 H new ATOM 0 H4' U B 519 -8.371 7.026 -23.221 1.00 0.00 H new ATOM 0 H3' U B 519 -5.589 6.890 -21.873 1.00 0.00 H new ATOM 0 H2' U B 519 -6.713 6.786 -19.589 1.00 0.00 H new ATOM 0 HO2' U B 519 -8.300 8.303 -20.922 1.00 0.00 H new ATOM 0 H1' U B 519 -8.330 4.797 -20.302 1.00 0.00 H new ATOM 0 H3 U B 519 -5.034 3.244 -17.632 1.00 0.00 H new ATOM 0 H5 U B 519 -3.847 2.493 -21.616 1.00 0.00 H new ATOM 0 H6 U B 519 -5.668 3.897 -22.323 1.00 0.00 H new ATOM 980 P U B 520 -5.400 9.440 -22.093 1.00 0.00 P ATOM 981 OP1 U B 520 -4.886 9.360 -23.478 1.00 0.00 O ATOM 982 OP2 U B 520 -4.467 9.091 -20.998 1.00 0.00 O ATOM 983 O5' U B 520 -5.920 10.931 -21.844 1.00 0.00 O ATOM 984 C5' U B 520 -7.205 11.328 -22.320 1.00 0.00 C ATOM 985 C4' U B 520 -7.512 12.739 -21.873 1.00 0.00 C ATOM 986 O4' U B 520 -7.886 13.537 -23.050 1.00 0.00 O ATOM 987 C3' U B 520 -8.731 12.862 -20.964 1.00 0.00 C ATOM 988 O3' U B 520 -8.302 13.142 -19.633 1.00 0.00 O ATOM 989 C2' U B 520 -9.539 13.994 -21.532 1.00 0.00 C ATOM 990 O2' U B 520 -8.947 15.128 -20.940 1.00 0.00 O ATOM 991 C1' U B 520 -9.268 13.816 -23.023 1.00 0.00 C ATOM 992 N1 U B 520 -10.046 12.721 -23.638 1.00 0.00 N ATOM 993 C2 U B 520 -9.435 12.035 -24.643 1.00 0.00 C ATOM 994 O2 U B 520 -8.307 12.282 -25.042 1.00 0.00 O ATOM 995 N3 U B 520 -10.158 11.014 -25.216 1.00 0.00 N ATOM 996 C4 U B 520 -11.429 10.673 -24.828 1.00 0.00 C ATOM 997 O4 U B 520 -11.981 9.742 -25.413 1.00 0.00 O ATOM 998 C5 U B 520 -12.021 11.420 -23.776 1.00 0.00 C ATOM 999 C6 U B 520 -11.301 12.406 -23.234 1.00 0.00 C ATOM 0 H5' U B 520 -7.967 10.645 -21.944 1.00 0.00 H new ATOM 0 H5'' U B 520 -7.232 11.269 -23.408 1.00 0.00 H new ATOM 0 H4' U B 520 -6.616 13.066 -21.346 1.00 0.00 H new ATOM 0 H3' U B 520 -9.322 11.947 -20.921 1.00 0.00 H new ATOM 0 H2' U B 520 -10.614 14.056 -21.362 1.00 0.00 H new ATOM 0 HO2' U B 520 -8.426 14.854 -20.156 1.00 0.00 H new ATOM 0 H1' U B 520 -9.562 14.693 -23.600 1.00 0.00 H new ATOM 0 H3 U B 520 -9.725 10.481 -25.971 1.00 0.00 H new ATOM 0 H5 U B 520 -13.019 11.199 -23.426 1.00 0.00 H new ATOM 0 H6 U B 520 -11.741 12.982 -22.433 1.00 0.00 H new ATOM 1010 P G B 521 -8.927 12.330 -18.403 1.00 0.00 P ATOM 1011 OP1 G B 521 -8.557 12.990 -17.131 1.00 0.00 O ATOM 1012 OP2 G B 521 -8.611 10.892 -18.543 1.00 0.00 O ATOM 1013 O5' G B 521 -10.503 12.514 -18.616 1.00 0.00 O ATOM 1014 C5' G B 521 -11.148 13.703 -18.167 1.00 0.00 C ATOM 1015 C4' G B 521 -12.459 13.361 -17.495 1.00 0.00 C ATOM 1016 O4' G B 521 -13.096 12.480 -18.469 1.00 0.00 O ATOM 1017 C3' G B 521 -12.350 12.296 -16.407 1.00 0.00 C ATOM 1018 O3' G B 521 -12.151 12.927 -15.144 1.00 0.00 O ATOM 1019 C2' G B 521 -13.655 11.550 -16.451 1.00 0.00 C ATOM 1020 O2' G B 521 -14.542 12.438 -15.813 1.00 0.00 O ATOM 1021 C1' G B 521 -13.846 11.401 -17.958 1.00 0.00 C ATOM 1022 N9 G B 521 -13.358 10.111 -18.489 1.00 0.00 N ATOM 1023 C8 G B 521 -12.094 9.638 -18.459 1.00 0.00 C ATOM 1024 N7 G B 521 -11.981 8.441 -19.024 1.00 0.00 N ATOM 1025 C5 G B 521 -13.255 8.148 -19.433 1.00 0.00 C ATOM 1026 C6 G B 521 -13.789 7.024 -20.097 1.00 0.00 C ATOM 1027 O6 G B 521 -13.149 6.034 -20.450 1.00 0.00 O ATOM 1028 N1 G B 521 -15.122 7.032 -20.370 1.00 0.00 N ATOM 1029 C2 G B 521 -15.851 8.108 -19.994 1.00 0.00 C ATOM 1030 N2 G B 521 -17.131 7.966 -20.330 1.00 0.00 N ATOM 1031 N3 G B 521 -15.450 9.225 -19.360 1.00 0.00 N ATOM 1032 C4 G B 521 -14.111 9.154 -19.117 1.00 0.00 C ATOM 0 H5' G B 521 -11.326 14.370 -19.010 1.00 0.00 H new ATOM 0 H5'' G B 521 -10.501 14.236 -17.470 1.00 0.00 H new ATOM 0 H4' G B 521 -12.896 14.297 -17.148 1.00 0.00 H new ATOM 0 H3' G B 521 -11.509 11.619 -16.558 1.00 0.00 H new ATOM 0 H2' G B 521 -13.762 10.576 -15.973 1.00 0.00 H new ATOM 0 HO2' G B 521 -14.045 13.002 -15.184 1.00 0.00 H new ATOM 0 H1' G B 521 -14.899 11.412 -18.241 1.00 0.00 H new ATOM 0 H8 G B 521 -11.264 10.175 -18.023 1.00 0.00 H new ATOM 0 H1 G B 521 -15.562 6.245 -20.847 1.00 0.00 H new ATOM 0 H21 G B 521 -17.801 8.702 -20.108 1.00 0.00 H new ATOM 0 H22 G B 521 -17.442 7.121 -20.809 1.00 0.00 H new ATOM 1044 P C B 522 -11.603 12.077 -13.903 1.00 0.00 P ATOM 1045 OP1 C B 522 -10.125 12.021 -13.952 1.00 0.00 O ATOM 1046 OP2 C B 522 -12.333 10.792 -13.818 1.00 0.00 O ATOM 1047 O5' C B 522 -12.024 12.969 -12.643 1.00 0.00 O ATOM 1048 C5' C B 522 -11.069 13.256 -11.622 1.00 0.00 C ATOM 1049 C4' C B 522 -10.716 14.726 -11.638 1.00 0.00 C ATOM 1050 O4' C B 522 -11.081 15.188 -12.974 1.00 0.00 O ATOM 1051 C3' C B 522 -11.731 15.625 -10.940 1.00 0.00 C ATOM 1052 O3' C B 522 -11.406 15.718 -9.554 1.00 0.00 O ATOM 1053 C2' C B 522 -11.616 16.960 -11.624 1.00 0.00 C ATOM 1054 O2' C B 522 -10.432 17.490 -11.071 1.00 0.00 O ATOM 1055 C1' C B 522 -11.519 16.524 -13.083 1.00 0.00 C ATOM 1056 N1 C B 522 -12.804 16.606 -13.808 1.00 0.00 N ATOM 1057 C2 C B 522 -13.256 17.872 -14.183 1.00 0.00 C ATOM 1058 O2 C B 522 -12.567 18.856 -13.894 1.00 0.00 O ATOM 1059 N3 C B 522 -14.423 17.973 -14.845 1.00 0.00 N ATOM 1060 C4 C B 522 -15.145 16.911 -15.146 1.00 0.00 C ATOM 1061 N4 C B 522 -16.293 17.032 -15.799 1.00 0.00 N ATOM 1062 C5 C B 522 -14.698 15.590 -14.769 1.00 0.00 C ATOM 1063 C6 C B 522 -13.534 15.505 -14.111 1.00 0.00 C ATOM 0 H5' C B 522 -10.171 12.657 -11.774 1.00 0.00 H new ATOM 0 H5'' C B 522 -11.473 12.982 -10.648 1.00 0.00 H new ATOM 0 H4' C B 522 -9.702 14.785 -11.244 1.00 0.00 H new ATOM 0 H3' C B 522 -12.750 15.243 -11.002 1.00 0.00 H new ATOM 0 H2' C B 522 -12.397 17.713 -11.521 1.00 0.00 H new ATOM 0 HO2' C B 522 -10.273 17.087 -10.192 1.00 0.00 H new ATOM 0 H1' C B 522 -10.857 17.169 -13.661 1.00 0.00 H new ATOM 0 H41 C B 522 -16.841 16.202 -16.025 1.00 0.00 H new ATOM 0 H42 C B 522 -16.628 17.955 -16.075 1.00 0.00 H new ATOM 0 H5 C B 522 -15.277 14.710 -15.007 1.00 0.00 H new ATOM 0 H6 C B 522 -13.168 14.533 -13.814 1.00 0.00 H new ATOM 1075 P U B 523 -12.405 16.461 -8.547 1.00 0.00 P ATOM 1076 OP1 U B 523 -13.506 17.090 -9.310 1.00 0.00 O ATOM 1077 OP2 U B 523 -11.632 17.323 -7.626 1.00 0.00 O ATOM 1078 O5' U B 523 -13.020 15.254 -7.695 1.00 0.00 O ATOM 1079 C5' U B 523 -13.117 13.953 -8.269 1.00 0.00 C ATOM 1080 C4' U B 523 -14.569 13.557 -8.418 1.00 0.00 C ATOM 1081 O4' U B 523 -15.085 13.694 -7.070 1.00 0.00 O ATOM 1082 C3' U B 523 -15.467 14.654 -8.983 1.00 0.00 C ATOM 1083 O3' U B 523 -15.495 14.552 -10.415 1.00 0.00 O ATOM 1084 C2' U B 523 -16.822 14.404 -8.384 1.00 0.00 C ATOM 1085 O2' U B 523 -17.307 13.325 -9.152 1.00 0.00 O ATOM 1086 C1' U B 523 -16.440 14.065 -6.946 1.00 0.00 C ATOM 1087 N1 U B 523 -16.599 15.199 -6.011 1.00 0.00 N ATOM 1088 C2 U B 523 -16.905 14.881 -4.724 1.00 0.00 C ATOM 1089 O2 U B 523 -17.048 13.736 -4.325 1.00 0.00 O ATOM 1090 N3 U B 523 -17.055 15.936 -3.851 1.00 0.00 N ATOM 1091 C4 U B 523 -16.912 17.251 -4.218 1.00 0.00 C ATOM 1092 O4 U B 523 -17.067 18.111 -3.353 1.00 0.00 O ATOM 1093 C5 U B 523 -16.592 17.527 -5.573 1.00 0.00 C ATOM 1094 C6 U B 523 -16.452 16.489 -6.402 1.00 0.00 C ATOM 0 H5' U B 523 -12.598 13.230 -7.640 1.00 0.00 H new ATOM 0 H5'' U B 523 -12.627 13.939 -9.242 1.00 0.00 H new ATOM 0 H4' U B 523 -14.583 12.627 -8.987 1.00 0.00 H new ATOM 0 H3' U B 523 -15.117 15.658 -8.743 1.00 0.00 H new ATOM 0 H2' U B 523 -17.587 15.181 -8.383 1.00 0.00 H new ATOM 0 HO2' U B 523 -16.809 13.274 -9.995 1.00 0.00 H new ATOM 0 HO3' U B 523 -16.072 15.254 -10.782 1.00 0.00 H new ATOM 0 H1' U B 523 -17.082 13.292 -6.523 1.00 0.00 H new ATOM 0 H3 U B 523 -17.285 15.729 -2.879 1.00 0.00 H new ATOM 0 H5 U B 523 -16.466 18.541 -5.922 1.00 0.00 H new ATOM 0 H6 U B 523 -16.210 16.687 -7.436 1.00 0.00 H new TER 1105 U B 523 HETATM 1106 ZN ZN A 57 -14.083 -0.289 -23.126 1.00 0.00 ZN