USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=18 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 Set 1.1: A 12 GLN : amide:sc= -0.358 K(o=0.051,f=-1.6!) USER MOD Set 1.2: B 520 U O2' : rot -16:sc= 0.409 USER MOD Single : A 1 ALA N :NH3+ 142:sc= 0.0433 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0.279 K(o=0.28,f=-6.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.373 K(o=-0.37,f=-3!) USER MOD Single : A 19 SER OG : rot 38:sc= 1.09 USER MOD Single : A 20 GLN : amide:sc= -0.312 K(o=-0.31,f=-2.1!) USER MOD Single : A 25 GLN : amide:sc= -0.274 K(o=-0.27,f=-1.6) USER MOD Single : A 28 TYR OH : rot -98:sc= 1.07 USER MOD Single : A 30 LYS NZ :NH3+ -151:sc= -0.135 (180deg=-1.5) 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+ -171:sc= 1.09 (180deg=1.04) USER MOD Single : A 42 LYS NZ :NH3+ -123:sc= 1.72 (180deg=0.302) USER MOD Single : A 52 GLN : amide:sc= -0.27 K(o=-0.27,f=-3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.12 USER MOD Single : B 517 U O2' : rot -25:sc= 0.411 USER MOD Single : B 518 U O2' : rot -19:sc= 0.588 USER MOD Single : B 519 U O2' : rot -12:sc= 0.299 USER MOD Single : B 521 G O2' : rot -12:sc= 0.328 USER MOD Single : B 522 C O2' : rot -19:sc= 0.434 USER MOD Single : B 523 U O2' : rot -25:sc= 0.498 USER MOD Single : B 523 U O3' : rot 180:sc= 0.314 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 27.303 5.876 -4.696 1.00 0.00 N ATOM 2 CA ALA A 1 25.899 5.762 -5.052 1.00 0.00 C ATOM 3 C ALA A 1 25.522 6.909 -5.993 1.00 0.00 C ATOM 4 O ALA A 1 26.003 8.029 -5.834 1.00 0.00 O ATOM 5 CB ALA A 1 25.049 5.748 -3.780 1.00 0.00 C ATOM 0 H1 ALA A 1 27.431 5.610 -3.699 1.00 0.00 H new ATOM 0 H2 ALA A 1 27.866 5.242 -5.298 1.00 0.00 H new ATOM 0 H3 ALA A 1 27.618 6.857 -4.836 1.00 0.00 H new ATOM 0 HA ALA A 1 25.711 4.827 -5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 1 23.996 5.663 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 1 25.336 4.899 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 1 25.209 6.673 -3.225 1.00 0.00 H new ATOM 11 N THR A 2 24.663 6.588 -6.950 1.00 0.00 N ATOM 12 CA THR A 2 24.215 7.577 -7.915 1.00 0.00 C ATOM 13 C THR A 2 22.810 7.237 -8.415 1.00 0.00 C ATOM 14 O THR A 2 22.514 6.077 -8.702 1.00 0.00 O ATOM 15 CB THR A 2 25.257 7.652 -9.033 1.00 0.00 C ATOM 16 OG1 THR A 2 24.860 8.784 -9.802 1.00 0.00 O ATOM 17 CG2 THR A 2 25.151 6.481 -10.011 1.00 0.00 C ATOM 0 H THR A 2 24.266 5.657 -7.077 1.00 0.00 H new ATOM 0 HA THR A 2 24.133 8.564 -7.460 1.00 0.00 H new ATOM 0 HB THR A 2 26.256 7.672 -8.598 1.00 0.00 H new ATOM 0 HG1 THR A 2 25.483 8.907 -10.548 1.00 0.00 H new ATOM 0 HG21 THR A 2 25.913 6.583 -10.784 1.00 0.00 H new ATOM 0 HG22 THR A 2 25.301 5.544 -9.475 1.00 0.00 H new ATOM 0 HG23 THR A 2 24.163 6.480 -10.472 1.00 0.00 H new ATOM 25 N VAL A 3 21.982 8.267 -8.505 1.00 0.00 N ATOM 26 CA VAL A 3 20.616 8.091 -8.966 1.00 0.00 C ATOM 27 C VAL A 3 19.969 9.463 -9.166 1.00 0.00 C ATOM 28 O VAL A 3 19.907 10.266 -8.236 1.00 0.00 O ATOM 29 CB VAL A 3 19.843 7.204 -7.988 1.00 0.00 C ATOM 30 CG1 VAL A 3 19.610 7.925 -6.660 1.00 0.00 C ATOM 31 CG2 VAL A 3 18.521 6.736 -8.599 1.00 0.00 C ATOM 0 H VAL A 3 22.231 9.227 -8.266 1.00 0.00 H new ATOM 0 HA VAL A 3 20.602 7.580 -9.929 1.00 0.00 H new ATOM 0 HB VAL A 3 20.449 6.321 -7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 3 19.059 7.272 -5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 3 20.570 8.183 -6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 3 19.035 8.834 -6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 3 17.992 6.107 -7.883 1.00 0.00 H new ATOM 0 HG22 VAL A 3 17.907 7.602 -8.845 1.00 0.00 H new ATOM 0 HG23 VAL A 3 18.721 6.164 -9.505 1.00 0.00 H new ATOM 41 N VAL A 4 19.503 9.690 -10.385 1.00 0.00 N ATOM 42 CA VAL A 4 18.863 10.951 -10.719 1.00 0.00 C ATOM 43 C VAL A 4 17.361 10.723 -10.902 1.00 0.00 C ATOM 44 O VAL A 4 16.928 9.605 -11.172 1.00 0.00 O ATOM 45 CB VAL A 4 19.529 11.565 -11.952 1.00 0.00 C ATOM 46 CG1 VAL A 4 19.247 10.728 -13.202 1.00 0.00 C ATOM 47 CG2 VAL A 4 19.083 13.015 -12.152 1.00 0.00 C ATOM 0 H VAL A 4 19.556 9.022 -11.154 1.00 0.00 H new ATOM 0 HA VAL A 4 18.986 11.669 -9.908 1.00 0.00 H new ATOM 0 HB VAL A 4 20.606 11.566 -11.785 1.00 0.00 H new ATOM 0 HG11 VAL A 4 19.732 11.187 -14.064 1.00 0.00 H new ATOM 0 HG12 VAL A 4 19.637 9.720 -13.060 1.00 0.00 H new ATOM 0 HG13 VAL A 4 18.172 10.681 -13.373 1.00 0.00 H new ATOM 0 HG21 VAL A 4 19.571 13.427 -13.035 1.00 0.00 H new ATOM 0 HG22 VAL A 4 18.002 13.048 -12.287 1.00 0.00 H new ATOM 0 HG23 VAL A 4 19.358 13.604 -11.277 1.00 0.00 H new ATOM 57 N SER A 5 16.608 11.803 -10.747 1.00 0.00 N ATOM 58 CA SER A 5 15.164 11.735 -10.891 1.00 0.00 C ATOM 59 C SER A 5 14.751 12.260 -12.268 1.00 0.00 C ATOM 60 O SER A 5 15.008 13.416 -12.597 1.00 0.00 O ATOM 61 CB SER A 5 14.462 12.528 -9.787 1.00 0.00 C ATOM 62 OG SER A 5 14.935 12.173 -8.491 1.00 0.00 O ATOM 0 H SER A 5 16.971 12.729 -10.523 1.00 0.00 H new ATOM 0 HA SER A 5 14.859 10.692 -10.800 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.619 13.594 -9.951 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.388 12.352 -9.841 1.00 0.00 H new ATOM 0 HG SER A 5 14.464 12.702 -7.814 1.00 0.00 H new ATOM 68 N GLY A 6 14.117 11.385 -13.034 1.00 0.00 N ATOM 69 CA GLY A 6 13.665 11.746 -14.367 1.00 0.00 C ATOM 70 C GLY A 6 12.581 12.824 -14.305 1.00 0.00 C ATOM 71 O GLY A 6 12.298 13.364 -13.238 1.00 0.00 O ATOM 0 H GLY A 6 13.905 10.426 -12.757 1.00 0.00 H new ATOM 0 HA2 GLY A 6 14.508 12.107 -14.956 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.276 10.863 -14.875 1.00 0.00 H new ATOM 75 N GLN A 7 12.004 13.105 -15.465 1.00 0.00 N ATOM 76 CA GLN A 7 10.957 14.109 -15.556 1.00 0.00 C ATOM 77 C GLN A 7 9.668 13.485 -16.091 1.00 0.00 C ATOM 78 O GLN A 7 9.710 12.498 -16.826 1.00 0.00 O ATOM 79 CB GLN A 7 11.401 15.285 -16.428 1.00 0.00 C ATOM 80 CG GLN A 7 11.822 16.478 -15.567 1.00 0.00 C ATOM 81 CD GLN A 7 10.598 17.223 -15.028 1.00 0.00 C ATOM 82 OE1 GLN A 7 9.482 16.734 -15.050 1.00 0.00 O ATOM 83 NE2 GLN A 7 10.872 18.433 -14.546 1.00 0.00 N ATOM 0 H GLN A 7 12.242 12.655 -16.349 1.00 0.00 H new ATOM 0 HA GLN A 7 10.762 14.494 -14.555 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.233 14.978 -17.062 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.587 15.579 -17.090 1.00 0.00 H new ATOM 0 HG2 GLN A 7 12.437 16.133 -14.736 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.436 17.158 -16.157 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.830 18.782 -14.558 1.00 0.00 H new ATOM 0 HE22 GLN A 7 10.124 19.011 -14.164 1.00 0.00 H new ATOM 92 N LYS A 8 8.552 14.084 -15.703 1.00 0.00 N ATOM 93 CA LYS A 8 7.253 13.598 -16.136 1.00 0.00 C ATOM 94 C LYS A 8 6.481 14.741 -16.801 1.00 0.00 C ATOM 95 O LYS A 8 6.174 15.744 -16.158 1.00 0.00 O ATOM 96 CB LYS A 8 6.506 12.951 -14.968 1.00 0.00 C ATOM 97 CG LYS A 8 6.072 11.526 -15.316 1.00 0.00 C ATOM 98 CD LYS A 8 5.065 10.994 -14.295 1.00 0.00 C ATOM 99 CE LYS A 8 5.643 9.806 -13.523 1.00 0.00 C ATOM 100 NZ LYS A 8 4.627 9.239 -12.608 1.00 0.00 N ATOM 0 H LYS A 8 8.520 14.901 -15.094 1.00 0.00 H new ATOM 0 HA LYS A 8 7.370 12.814 -16.884 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.147 12.935 -14.086 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.631 13.550 -14.715 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.628 11.510 -16.312 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.945 10.873 -15.345 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.794 11.788 -13.599 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.150 10.691 -14.805 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.980 9.040 -14.221 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.516 10.125 -12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.035 8.434 -12.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.325 9.968 -11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.806 8.917 -13.158 1.00 0.00 H new ATOM 114 N GLN A 9 6.192 14.551 -18.079 1.00 0.00 N ATOM 115 CA GLN A 9 5.463 15.553 -18.838 1.00 0.00 C ATOM 116 C GLN A 9 4.036 15.074 -19.118 1.00 0.00 C ATOM 117 O GLN A 9 3.721 13.902 -18.916 1.00 0.00 O ATOM 118 CB GLN A 9 6.191 15.893 -20.140 1.00 0.00 C ATOM 119 CG GLN A 9 7.086 17.121 -19.963 1.00 0.00 C ATOM 120 CD GLN A 9 6.803 18.166 -21.045 1.00 0.00 C ATOM 121 OE1 GLN A 9 5.984 17.976 -21.928 1.00 0.00 O ATOM 122 NE2 GLN A 9 7.524 19.277 -20.926 1.00 0.00 N ATOM 0 H GLN A 9 6.449 13.718 -18.609 1.00 0.00 H new ATOM 0 HA GLN A 9 5.410 16.463 -18.241 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.794 15.042 -20.457 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.463 16.080 -20.930 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.920 17.558 -18.978 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.133 16.822 -20.006 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.193 19.371 -20.162 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.408 20.035 -21.599 1.00 0.00 H new ATOM 131 N ASP A 10 3.213 16.005 -19.577 1.00 0.00 N ATOM 132 CA ASP A 10 1.828 15.692 -19.886 1.00 0.00 C ATOM 133 C ASP A 10 1.505 16.173 -21.302 1.00 0.00 C ATOM 134 O ASP A 10 1.960 17.236 -21.719 1.00 0.00 O ATOM 135 CB ASP A 10 0.875 16.397 -18.917 1.00 0.00 C ATOM 136 CG ASP A 10 0.483 15.580 -17.685 1.00 0.00 C ATOM 137 OD1 ASP A 10 1.405 14.995 -17.076 1.00 0.00 O ATOM 138 OD2 ASP A 10 -0.728 15.558 -17.380 1.00 0.00 O ATOM 0 H ASP A 10 3.478 16.976 -19.742 1.00 0.00 H new ATOM 0 HA ASP A 10 1.698 14.613 -19.799 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.340 17.326 -18.585 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -0.032 16.669 -19.457 1.00 0.00 H new ATOM 143 N ARG A 11 0.721 15.365 -22.001 1.00 0.00 N ATOM 144 CA ARG A 11 0.332 15.694 -23.362 1.00 0.00 C ATOM 145 C ARG A 11 -1.189 15.825 -23.462 1.00 0.00 C ATOM 146 O ARG A 11 -1.923 14.969 -22.970 1.00 0.00 O ATOM 147 CB ARG A 11 0.811 14.625 -24.346 1.00 0.00 C ATOM 148 CG ARG A 11 2.329 14.686 -24.524 1.00 0.00 C ATOM 149 CD ARG A 11 2.768 13.895 -25.759 1.00 0.00 C ATOM 150 NE ARG A 11 2.302 14.577 -26.988 1.00 0.00 N ATOM 151 CZ ARG A 11 2.126 13.963 -28.166 1.00 0.00 C ATOM 152 NH1 ARG A 11 2.376 12.652 -28.283 1.00 0.00 N ATOM 153 NH2 ARG A 11 1.700 14.661 -29.227 1.00 0.00 N ATOM 0 H ARG A 11 0.345 14.484 -21.651 1.00 0.00 H new ATOM 0 HA ARG A 11 0.800 16.644 -23.620 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.523 13.638 -23.985 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.322 14.767 -25.310 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.646 15.724 -24.621 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.819 14.284 -23.637 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.854 13.802 -25.774 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.362 12.884 -25.717 1.00 0.00 H new ATOM 0 HE ARG A 11 2.103 15.576 -26.935 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.700 12.121 -27.475 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.242 12.185 -29.180 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.510 15.659 -29.138 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.566 14.194 -30.124 1.00 0.00 H new ATOM 167 N GLN A 12 -1.618 16.903 -24.101 1.00 0.00 N ATOM 168 CA GLN A 12 -3.039 17.157 -24.272 1.00 0.00 C ATOM 169 C GLN A 12 -3.338 17.546 -25.721 1.00 0.00 C ATOM 170 O GLN A 12 -2.688 18.430 -26.277 1.00 0.00 O ATOM 171 CB GLN A 12 -3.522 18.238 -23.303 1.00 0.00 C ATOM 172 CG GLN A 12 -4.771 17.776 -22.548 1.00 0.00 C ATOM 173 CD GLN A 12 -5.885 18.822 -22.641 1.00 0.00 C ATOM 174 OE1 GLN A 12 -5.925 19.644 -23.540 1.00 0.00 O ATOM 175 NE2 GLN A 12 -6.784 18.742 -21.663 1.00 0.00 N ATOM 0 H GLN A 12 -1.007 17.611 -24.507 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.583 16.240 -24.043 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.730 18.476 -22.593 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.742 19.153 -23.853 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.120 16.829 -22.960 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.523 17.596 -21.502 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.690 18.028 -20.941 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.567 19.395 -21.636 1.00 0.00 H new ATOM 184 N GLY A 13 -4.323 16.866 -26.291 1.00 0.00 N ATOM 185 CA GLY A 13 -4.716 17.129 -27.664 1.00 0.00 C ATOM 186 C GLY A 13 -5.164 18.581 -27.839 1.00 0.00 C ATOM 187 O GLY A 13 -5.077 19.377 -26.905 1.00 0.00 O ATOM 0 H GLY A 13 -4.860 16.134 -25.826 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.880 16.920 -28.331 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.527 16.458 -27.949 1.00 0.00 H new ATOM 191 N GLY A 14 -5.633 18.883 -29.040 1.00 0.00 N ATOM 192 CA GLY A 14 -6.096 20.226 -29.348 1.00 0.00 C ATOM 193 C GLY A 14 -7.315 20.188 -30.271 1.00 0.00 C ATOM 194 O GLY A 14 -8.351 20.773 -29.960 1.00 0.00 O ATOM 0 H GLY A 14 -5.703 18.221 -29.812 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.350 20.747 -28.425 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.294 20.791 -29.822 1.00 0.00 H new ATOM 198 N GLU A 15 -7.151 19.495 -31.388 1.00 0.00 N ATOM 199 CA GLU A 15 -8.226 19.373 -32.358 1.00 0.00 C ATOM 200 C GLU A 15 -9.099 18.159 -32.033 1.00 0.00 C ATOM 201 O GLU A 15 -9.475 17.404 -32.928 1.00 0.00 O ATOM 202 CB GLU A 15 -7.672 19.285 -33.782 1.00 0.00 C ATOM 203 CG GLU A 15 -6.923 17.967 -33.998 1.00 0.00 C ATOM 204 CD GLU A 15 -5.995 18.057 -35.211 1.00 0.00 C ATOM 205 OE1 GLU A 15 -4.968 18.760 -35.090 1.00 0.00 O ATOM 206 OE2 GLU A 15 -6.334 17.423 -36.233 1.00 0.00 O ATOM 0 H GLU A 15 -6.290 19.012 -31.643 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.846 20.268 -32.299 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.489 19.365 -34.500 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.001 20.124 -33.968 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.342 17.725 -33.108 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.638 17.157 -34.142 1.00 0.00 H new ATOM 213 N ARG A 16 -9.396 18.010 -30.751 1.00 0.00 N ATOM 214 CA ARG A 16 -10.218 16.901 -30.297 1.00 0.00 C ATOM 215 C ARG A 16 -11.207 17.376 -29.231 1.00 0.00 C ATOM 216 O ARG A 16 -10.806 17.759 -28.132 1.00 0.00 O ATOM 217 CB ARG A 16 -9.356 15.777 -29.719 1.00 0.00 C ATOM 218 CG ARG A 16 -8.837 14.858 -30.828 1.00 0.00 C ATOM 219 CD ARG A 16 -9.426 13.453 -30.696 1.00 0.00 C ATOM 220 NE ARG A 16 -8.363 12.440 -30.884 1.00 0.00 N ATOM 221 CZ ARG A 16 -7.656 12.294 -32.013 1.00 0.00 C ATOM 222 NH1 ARG A 16 -7.894 13.094 -33.061 1.00 0.00 N ATOM 223 NH2 ARG A 16 -6.712 11.347 -32.093 1.00 0.00 N ATOM 0 H ARG A 16 -9.082 18.639 -30.012 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.764 16.518 -31.159 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.515 16.203 -29.172 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.940 15.197 -29.004 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.096 15.275 -31.801 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.749 14.806 -30.783 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.885 13.333 -29.715 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.213 13.308 -31.436 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.156 11.814 -30.106 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.613 13.814 -33.000 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.356 12.983 -33.920 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.532 10.738 -31.295 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.173 11.235 -32.952 1.00 0.00 H new ATOM 237 N ARG A 17 -12.482 17.334 -29.591 1.00 0.00 N ATOM 238 CA ARG A 17 -13.531 17.755 -28.678 1.00 0.00 C ATOM 239 C ARG A 17 -14.363 16.550 -28.235 1.00 0.00 C ATOM 240 O ARG A 17 -15.551 16.465 -28.542 1.00 0.00 O ATOM 241 CB ARG A 17 -14.450 18.787 -29.334 1.00 0.00 C ATOM 242 CG ARG A 17 -14.786 18.387 -30.772 1.00 0.00 C ATOM 243 CD ARG A 17 -16.191 18.855 -31.158 1.00 0.00 C ATOM 244 NE ARG A 17 -16.102 19.990 -32.104 1.00 0.00 N ATOM 245 CZ ARG A 17 -15.865 21.257 -31.737 1.00 0.00 C ATOM 246 NH1 ARG A 17 -15.691 21.559 -30.443 1.00 0.00 N ATOM 247 NH2 ARG A 17 -15.803 22.223 -32.665 1.00 0.00 N ATOM 0 H ARG A 17 -12.812 17.015 -30.502 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.053 18.210 -27.810 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.369 18.881 -28.755 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.968 19.764 -29.328 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.054 18.820 -31.454 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.718 17.304 -30.877 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.745 18.034 -31.613 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.741 19.156 -30.266 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.229 19.796 -33.097 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.739 20.824 -29.737 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.511 22.523 -30.164 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.936 21.993 -33.650 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.623 23.187 -32.386 1.00 0.00 H new ATOM 261 N ARG A 18 -13.706 15.650 -27.519 1.00 0.00 N ATOM 262 CA ARG A 18 -14.370 14.453 -27.030 1.00 0.00 C ATOM 263 C ARG A 18 -15.077 13.731 -28.179 1.00 0.00 C ATOM 264 O ARG A 18 -16.306 13.685 -28.226 1.00 0.00 O ATOM 265 CB ARG A 18 -15.394 14.795 -25.946 1.00 0.00 C ATOM 266 CG ARG A 18 -14.700 15.244 -24.658 1.00 0.00 C ATOM 267 CD ARG A 18 -15.722 15.697 -23.613 1.00 0.00 C ATOM 268 NE ARG A 18 -15.521 17.128 -23.296 1.00 0.00 N ATOM 269 CZ ARG A 18 -16.393 17.873 -22.603 1.00 0.00 C ATOM 270 NH1 ARG A 18 -17.530 17.327 -22.151 1.00 0.00 N ATOM 271 NH2 ARG A 18 -16.128 19.165 -22.362 1.00 0.00 N ATOM 0 H ARG A 18 -12.721 15.725 -27.265 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.607 13.803 -26.602 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -16.055 15.585 -26.302 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -16.018 13.925 -25.743 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.104 14.424 -24.257 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.012 16.061 -24.877 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.733 15.538 -23.988 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.619 15.098 -22.708 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.666 17.575 -23.625 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.732 16.344 -22.334 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.194 17.894 -21.623 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.263 19.581 -22.706 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.792 19.732 -21.835 1.00 0.00 H new ATOM 285 N SER A 19 -14.271 13.184 -29.076 1.00 0.00 N ATOM 286 CA SER A 19 -14.803 12.467 -30.222 1.00 0.00 C ATOM 287 C SER A 19 -15.939 11.543 -29.778 1.00 0.00 C ATOM 288 O SER A 19 -15.696 10.421 -29.337 1.00 0.00 O ATOM 289 CB SER A 19 -13.709 11.662 -30.926 1.00 0.00 C ATOM 290 OG SER A 19 -13.182 10.634 -30.091 1.00 0.00 O ATOM 0 H SER A 19 -13.253 13.223 -29.033 1.00 0.00 H new ATOM 0 HA SER A 19 -15.192 13.197 -30.932 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.114 11.218 -31.836 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.904 12.332 -31.229 1.00 0.00 H new ATOM 0 HG SER A 19 -13.906 10.239 -29.562 1.00 0.00 H new ATOM 296 N GLN A 20 -17.157 12.048 -29.912 1.00 0.00 N ATOM 297 CA GLN A 20 -18.331 11.282 -29.530 1.00 0.00 C ATOM 298 C GLN A 20 -18.054 10.486 -28.253 1.00 0.00 C ATOM 299 O GLN A 20 -18.433 9.322 -28.149 1.00 0.00 O ATOM 300 CB GLN A 20 -18.776 10.358 -30.666 1.00 0.00 C ATOM 301 CG GLN A 20 -19.615 11.118 -31.694 1.00 0.00 C ATOM 302 CD GLN A 20 -21.091 10.726 -31.593 1.00 0.00 C ATOM 303 OE1 GLN A 20 -21.446 9.661 -31.116 1.00 0.00 O ATOM 304 NE2 GLN A 20 -21.929 11.645 -32.068 1.00 0.00 N ATOM 0 H GLN A 20 -17.356 12.978 -30.280 1.00 0.00 H new ATOM 0 HA GLN A 20 -19.146 11.978 -29.331 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.901 9.927 -31.153 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -19.356 9.529 -30.260 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.508 12.191 -31.535 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -19.246 10.907 -32.698 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -21.565 12.516 -32.454 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -22.935 11.478 -32.046 1.00 0.00 H new ATOM 313 N LEU A 21 -17.396 11.149 -27.313 1.00 0.00 N ATOM 314 CA LEU A 21 -17.064 10.518 -26.046 1.00 0.00 C ATOM 315 C LEU A 21 -18.136 10.868 -25.012 1.00 0.00 C ATOM 316 O LEU A 21 -18.059 11.908 -24.360 1.00 0.00 O ATOM 317 CB LEU A 21 -15.646 10.898 -25.615 1.00 0.00 C ATOM 318 CG LEU A 21 -15.174 10.318 -24.280 1.00 0.00 C ATOM 319 CD1 LEU A 21 -15.518 11.258 -23.122 1.00 0.00 C ATOM 320 CD2 LEU A 21 -15.737 8.912 -24.063 1.00 0.00 C ATOM 0 H LEU A 21 -17.084 12.116 -27.403 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.061 9.433 -26.148 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.953 10.578 -26.393 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.583 11.985 -25.559 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.088 10.229 -24.311 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.172 10.822 -22.185 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.030 12.220 -23.277 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.598 11.402 -23.078 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.386 8.523 -23.107 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.826 8.953 -24.060 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.400 8.257 -24.867 1.00 0.00 H new ATOM 332 N ASP A 22 -19.110 9.978 -24.892 1.00 0.00 N ATOM 333 CA ASP A 22 -20.196 10.178 -23.949 1.00 0.00 C ATOM 334 C ASP A 22 -19.660 10.035 -22.523 1.00 0.00 C ATOM 335 O ASP A 22 -18.599 9.449 -22.311 1.00 0.00 O ATOM 336 CB ASP A 22 -21.298 9.135 -24.146 1.00 0.00 C ATOM 337 CG ASP A 22 -22.724 9.686 -24.110 1.00 0.00 C ATOM 338 OD1 ASP A 22 -23.048 10.483 -25.017 1.00 0.00 O ATOM 339 OD2 ASP A 22 -23.460 9.299 -23.176 1.00 0.00 O ATOM 0 H ASP A 22 -19.169 9.116 -25.433 1.00 0.00 H new ATOM 0 HA ASP A 22 -20.608 11.173 -24.117 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -21.141 8.639 -25.104 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -21.199 8.374 -23.372 1.00 0.00 H new ATOM 344 N ARG A 23 -20.416 10.581 -21.582 1.00 0.00 N ATOM 345 CA ARG A 23 -20.030 10.521 -20.183 1.00 0.00 C ATOM 346 C ARG A 23 -20.052 9.075 -19.687 1.00 0.00 C ATOM 347 O ARG A 23 -19.537 8.775 -18.611 1.00 0.00 O ATOM 348 CB ARG A 23 -20.966 11.366 -19.316 1.00 0.00 C ATOM 349 CG ARG A 23 -20.560 11.298 -17.843 1.00 0.00 C ATOM 350 CD ARG A 23 -19.114 11.761 -17.650 1.00 0.00 C ATOM 351 NE ARG A 23 -19.013 12.619 -16.449 1.00 0.00 N ATOM 352 CZ ARG A 23 -17.881 12.812 -15.757 1.00 0.00 C ATOM 353 NH1 ARG A 23 -16.749 12.209 -16.144 1.00 0.00 N ATOM 354 NH2 ARG A 23 -17.883 13.608 -14.680 1.00 0.00 N ATOM 0 H ARG A 23 -21.294 11.067 -21.761 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.019 10.920 -20.101 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -20.945 12.402 -19.655 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.991 11.013 -19.431 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -21.228 11.922 -17.249 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -20.670 10.277 -17.479 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.458 10.897 -17.546 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.779 12.311 -18.529 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.857 13.093 -16.127 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.749 11.603 -16.965 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.888 12.356 -15.618 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.745 14.067 -14.387 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.022 13.755 -14.153 1.00 0.00 H new ATOM 368 N ASP A 24 -20.655 8.215 -20.495 1.00 0.00 N ATOM 369 CA ASP A 24 -20.752 6.806 -20.151 1.00 0.00 C ATOM 370 C ASP A 24 -20.217 5.965 -21.312 1.00 0.00 C ATOM 371 O ASP A 24 -20.589 4.803 -21.464 1.00 0.00 O ATOM 372 CB ASP A 24 -22.205 6.399 -19.903 1.00 0.00 C ATOM 373 CG ASP A 24 -22.797 6.888 -18.579 1.00 0.00 C ATOM 374 OD1 ASP A 24 -22.654 6.143 -17.585 1.00 0.00 O ATOM 375 OD2 ASP A 24 -23.378 7.994 -18.590 1.00 0.00 O ATOM 0 H ASP A 24 -21.081 8.467 -21.387 1.00 0.00 H new ATOM 0 HA ASP A 24 -20.171 6.639 -19.244 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -22.818 6.780 -20.720 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -22.272 5.312 -19.934 1.00 0.00 H new ATOM 380 N GLN A 25 -19.352 6.585 -22.101 1.00 0.00 N ATOM 381 CA GLN A 25 -18.762 5.908 -23.243 1.00 0.00 C ATOM 382 C GLN A 25 -17.287 5.604 -22.975 1.00 0.00 C ATOM 383 O GLN A 25 -16.490 6.515 -22.763 1.00 0.00 O ATOM 384 CB GLN A 25 -18.929 6.737 -24.518 1.00 0.00 C ATOM 385 CG GLN A 25 -18.465 5.952 -25.747 1.00 0.00 C ATOM 386 CD GLN A 25 -19.468 6.088 -26.895 1.00 0.00 C ATOM 387 OE1 GLN A 25 -20.671 6.147 -26.698 1.00 0.00 O ATOM 388 NE2 GLN A 25 -18.909 6.134 -28.100 1.00 0.00 N ATOM 0 H GLN A 25 -19.046 7.549 -21.972 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.286 4.964 -23.392 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.975 7.021 -24.637 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.355 7.660 -24.434 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -17.488 6.315 -26.068 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -18.345 4.900 -25.487 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.895 6.080 -28.194 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -19.494 6.224 -28.931 1.00 0.00 H new ATOM 397 N CYS A 26 -16.968 4.317 -22.995 1.00 0.00 N ATOM 398 CA CYS A 26 -15.602 3.882 -22.758 1.00 0.00 C ATOM 399 C CYS A 26 -14.684 4.626 -23.730 1.00 0.00 C ATOM 400 O CYS A 26 -14.946 4.664 -24.931 1.00 0.00 O ATOM 401 CB CYS A 26 -15.463 2.364 -22.889 1.00 0.00 C ATOM 402 SG CYS A 26 -13.710 1.876 -22.685 1.00 0.00 S ATOM 0 H CYS A 26 -17.632 3.563 -23.172 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.313 4.121 -21.734 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -16.077 1.868 -22.137 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -15.828 2.040 -23.863 1.00 0.00 H new ATOM 407 N ALA A 27 -13.627 5.199 -23.174 1.00 0.00 N ATOM 408 CA ALA A 27 -12.668 5.939 -23.976 1.00 0.00 C ATOM 409 C ALA A 27 -11.440 5.064 -24.233 1.00 0.00 C ATOM 410 O ALA A 27 -10.316 5.560 -24.266 1.00 0.00 O ATOM 411 CB ALA A 27 -12.314 7.248 -23.268 1.00 0.00 C ATOM 0 H ALA A 27 -13.414 5.166 -22.177 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.096 6.197 -24.945 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.594 7.804 -23.869 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.216 7.846 -23.137 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.879 7.028 -22.293 1.00 0.00 H new ATOM 417 N TYR A 28 -11.698 3.776 -24.408 1.00 0.00 N ATOM 418 CA TYR A 28 -10.627 2.827 -24.662 1.00 0.00 C ATOM 419 C TYR A 28 -10.955 1.938 -25.864 1.00 0.00 C ATOM 420 O TYR A 28 -10.145 1.803 -26.779 1.00 0.00 O ATOM 421 CB TYR A 28 -10.532 1.954 -23.408 1.00 0.00 C ATOM 422 CG TYR A 28 -9.153 1.329 -23.188 1.00 0.00 C ATOM 423 CD1 TYR A 28 -8.097 2.115 -22.775 1.00 0.00 C ATOM 424 CD2 TYR A 28 -8.966 -0.021 -23.403 1.00 0.00 C ATOM 425 CE1 TYR A 28 -6.799 1.527 -22.569 1.00 0.00 C ATOM 426 CE2 TYR A 28 -7.667 -0.610 -23.196 1.00 0.00 C ATOM 427 CZ TYR A 28 -6.648 0.194 -22.789 1.00 0.00 C ATOM 428 OH TYR A 28 -5.422 -0.363 -22.593 1.00 0.00 O ATOM 0 H TYR A 28 -12.632 3.368 -24.379 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.695 3.349 -24.881 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.789 2.557 -22.537 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.274 1.158 -23.475 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.244 3.172 -22.606 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.793 -0.636 -23.726 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.964 2.131 -22.247 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.506 -1.665 -23.360 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.961 -0.449 -23.453 1.00 0.00 H new ATOM 438 N CYS A 29 -12.145 1.355 -25.821 1.00 0.00 N ATOM 439 CA CYS A 29 -12.589 0.483 -26.895 1.00 0.00 C ATOM 440 C CYS A 29 -13.686 1.208 -27.679 1.00 0.00 C ATOM 441 O CYS A 29 -13.933 0.894 -28.842 1.00 0.00 O ATOM 442 CB CYS A 29 -13.066 -0.870 -26.363 1.00 0.00 C ATOM 443 SG CYS A 29 -14.518 -0.638 -25.275 1.00 0.00 S ATOM 0 H CYS A 29 -12.814 1.470 -25.060 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.753 0.264 -27.560 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.325 -1.526 -27.194 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -12.262 -1.357 -25.811 1.00 0.00 H new ATOM 448 N LYS A 30 -14.315 2.162 -27.009 1.00 0.00 N ATOM 449 CA LYS A 30 -15.380 2.934 -27.628 1.00 0.00 C ATOM 450 C LYS A 30 -16.718 2.232 -27.388 1.00 0.00 C ATOM 451 O LYS A 30 -17.647 2.372 -28.183 1.00 0.00 O ATOM 452 CB LYS A 30 -15.072 3.182 -29.106 1.00 0.00 C ATOM 453 CG LYS A 30 -13.601 3.555 -29.305 1.00 0.00 C ATOM 454 CD LYS A 30 -13.463 4.989 -29.820 1.00 0.00 C ATOM 455 CE LYS A 30 -12.963 5.923 -28.716 1.00 0.00 C ATOM 456 NZ LYS A 30 -13.947 5.996 -27.613 1.00 0.00 N ATOM 0 H LYS A 30 -14.108 2.418 -26.044 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.451 3.921 -27.171 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.306 2.288 -29.685 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.708 3.982 -29.484 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.065 3.451 -28.362 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.140 2.865 -30.012 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.771 5.012 -30.662 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.426 5.340 -30.190 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.007 5.565 -28.335 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.791 6.919 -29.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.878 6.923 -27.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.906 5.871 -27.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.749 5.245 -26.921 1.00 0.00 H new ATOM 470 N GLU A 31 -16.773 1.492 -26.290 1.00 0.00 N ATOM 471 CA GLU A 31 -17.982 0.769 -25.936 1.00 0.00 C ATOM 472 C GLU A 31 -18.727 1.497 -24.815 1.00 0.00 C ATOM 473 O GLU A 31 -18.166 1.742 -23.749 1.00 0.00 O ATOM 474 CB GLU A 31 -17.661 -0.672 -25.535 1.00 0.00 C ATOM 475 CG GLU A 31 -17.030 -1.438 -26.701 1.00 0.00 C ATOM 476 CD GLU A 31 -16.410 -2.752 -26.221 1.00 0.00 C ATOM 477 OE1 GLU A 31 -17.118 -3.481 -25.493 1.00 0.00 O ATOM 478 OE2 GLU A 31 -15.243 -2.999 -26.595 1.00 0.00 O ATOM 0 H GLU A 31 -16.000 1.378 -25.634 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.630 0.732 -26.812 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.980 -0.673 -24.684 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -18.573 -1.176 -25.215 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.787 -1.644 -27.458 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.265 -0.822 -27.174 1.00 0.00 H new ATOM 485 N LYS A 32 -19.982 1.820 -25.095 1.00 0.00 N ATOM 486 CA LYS A 32 -20.809 2.515 -24.123 1.00 0.00 C ATOM 487 C LYS A 32 -21.402 1.499 -23.145 1.00 0.00 C ATOM 488 O LYS A 32 -21.860 0.434 -23.554 1.00 0.00 O ATOM 489 CB LYS A 32 -21.860 3.373 -24.831 1.00 0.00 C ATOM 490 CG LYS A 32 -22.799 4.033 -23.820 1.00 0.00 C ATOM 491 CD LYS A 32 -24.264 3.820 -24.212 1.00 0.00 C ATOM 492 CE LYS A 32 -25.185 4.738 -23.406 1.00 0.00 C ATOM 493 NZ LYS A 32 -26.471 4.061 -23.122 1.00 0.00 N ATOM 0 H LYS A 32 -20.445 1.613 -25.980 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.207 3.208 -23.536 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -21.367 4.139 -25.429 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.437 2.754 -25.519 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -22.620 3.619 -22.828 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -22.586 5.100 -23.763 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.391 4.015 -25.277 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -24.542 2.780 -24.043 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.701 5.019 -22.471 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -25.366 5.659 -23.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -27.085 4.697 -22.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -26.939 3.815 -24.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -26.294 3.195 -22.574 1.00 0.00 H new ATOM 507 N GLY A 33 -21.373 1.864 -21.872 1.00 0.00 N ATOM 508 CA GLY A 33 -21.901 0.998 -20.833 1.00 0.00 C ATOM 509 C GLY A 33 -20.882 0.806 -19.707 1.00 0.00 C ATOM 510 O GLY A 33 -21.252 0.500 -18.575 1.00 0.00 O ATOM 0 H GLY A 33 -20.992 2.749 -21.537 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.818 1.427 -20.429 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.163 0.030 -21.260 1.00 0.00 H new ATOM 514 N HIS A 34 -19.619 0.993 -20.059 1.00 0.00 N ATOM 515 CA HIS A 34 -18.543 0.845 -19.093 1.00 0.00 C ATOM 516 C HIS A 34 -17.499 1.941 -19.314 1.00 0.00 C ATOM 517 O HIS A 34 -17.381 2.478 -20.415 1.00 0.00 O ATOM 518 CB HIS A 34 -17.947 -0.563 -19.156 1.00 0.00 C ATOM 519 CG HIS A 34 -17.155 -0.839 -20.412 1.00 0.00 C ATOM 520 ND1 HIS A 34 -17.656 -1.581 -21.467 1.00 0.00 N ATOM 521 CD2 HIS A 34 -15.893 -0.463 -20.771 1.00 0.00 C ATOM 522 CE1 HIS A 34 -16.730 -1.644 -22.412 1.00 0.00 C ATOM 523 NE2 HIS A 34 -15.638 -0.952 -21.979 1.00 0.00 N ATOM 0 H HIS A 34 -19.316 1.246 -21.000 1.00 0.00 H new ATOM 0 HA HIS A 34 -18.937 0.966 -18.084 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -17.301 -0.712 -18.291 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -18.754 -1.292 -19.080 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -18.582 -2.007 -21.510 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.217 0.131 -20.174 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.824 -2.154 -23.359 1.00 0.00 H new ATOM 531 N TRP A 35 -16.768 2.241 -18.251 1.00 0.00 N ATOM 532 CA TRP A 35 -15.737 3.264 -18.315 1.00 0.00 C ATOM 533 C TRP A 35 -14.433 2.594 -18.752 1.00 0.00 C ATOM 534 O TRP A 35 -14.289 1.377 -18.645 1.00 0.00 O ATOM 535 CB TRP A 35 -15.613 4.001 -16.981 1.00 0.00 C ATOM 536 CG TRP A 35 -16.441 5.285 -16.900 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.671 5.506 -17.382 1.00 0.00 C ATOM 538 CD2 TRP A 35 -16.044 6.526 -16.279 1.00 0.00 C ATOM 539 NE1 TRP A 35 -18.096 6.793 -17.118 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.074 7.432 -16.426 1.00 0.00 C ATOM 541 CE3 TRP A 35 -14.853 6.871 -15.615 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.018 8.743 -15.935 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -14.813 8.185 -15.131 1.00 0.00 C ATOM 544 CH2 TRP A 35 -15.842 9.109 -15.270 1.00 0.00 C ATOM 0 H TRP A 35 -16.869 1.794 -17.340 1.00 0.00 H new ATOM 0 HA TRP A 35 -15.997 4.029 -19.047 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -15.920 3.331 -16.178 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -14.565 4.245 -16.809 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -18.257 4.769 -17.911 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -18.994 7.199 -17.382 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.034 6.178 -15.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.838 9.434 -16.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.920 8.502 -14.613 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -15.735 10.105 -14.867 1.00 0.00 H new ATOM 555 N ALA A 36 -13.516 3.418 -19.235 1.00 0.00 N ATOM 556 CA ALA A 36 -12.227 2.921 -19.689 1.00 0.00 C ATOM 557 C ALA A 36 -11.512 2.235 -18.523 1.00 0.00 C ATOM 558 O ALA A 36 -10.796 1.254 -18.720 1.00 0.00 O ATOM 559 CB ALA A 36 -11.412 4.074 -20.276 1.00 0.00 C ATOM 0 H ALA A 36 -13.639 4.427 -19.322 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.357 2.181 -20.478 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.446 3.701 -20.616 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.950 4.508 -21.119 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.258 4.836 -19.512 1.00 0.00 H new ATOM 565 N LYS A 37 -11.729 2.778 -17.334 1.00 0.00 N ATOM 566 CA LYS A 37 -11.115 2.231 -16.137 1.00 0.00 C ATOM 567 C LYS A 37 -11.730 0.863 -15.833 1.00 0.00 C ATOM 568 O LYS A 37 -11.248 0.142 -14.960 1.00 0.00 O ATOM 569 CB LYS A 37 -11.220 3.224 -14.979 1.00 0.00 C ATOM 570 CG LYS A 37 -10.545 4.552 -15.332 1.00 0.00 C ATOM 571 CD LYS A 37 -9.235 4.724 -14.561 1.00 0.00 C ATOM 572 CE LYS A 37 -8.847 6.200 -14.463 1.00 0.00 C ATOM 573 NZ LYS A 37 -9.207 6.744 -13.134 1.00 0.00 N ATOM 0 H LYS A 37 -12.322 3.592 -17.174 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.048 2.073 -16.294 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.269 3.398 -14.738 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.755 2.801 -14.089 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.348 4.590 -16.403 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.218 5.378 -15.102 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.340 4.305 -13.560 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.440 4.168 -15.058 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.776 6.312 -14.630 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.353 6.768 -15.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.937 7.747 -13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.233 6.654 -12.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.705 6.213 -12.394 1.00 0.00 H new ATOM 587 N ASP A 38 -12.785 0.547 -16.569 1.00 0.00 N ATOM 588 CA ASP A 38 -13.471 -0.721 -16.387 1.00 0.00 C ATOM 589 C ASP A 38 -13.579 -1.434 -17.736 1.00 0.00 C ATOM 590 O ASP A 38 -14.404 -2.330 -17.905 1.00 0.00 O ATOM 591 CB ASP A 38 -14.888 -0.509 -15.851 1.00 0.00 C ATOM 592 CG ASP A 38 -15.355 -1.548 -14.829 1.00 0.00 C ATOM 593 OD1 ASP A 38 -14.468 -2.161 -14.198 1.00 0.00 O ATOM 594 OD2 ASP A 38 -16.589 -1.705 -14.702 1.00 0.00 O ATOM 0 H ASP A 38 -13.182 1.147 -17.292 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.900 -1.314 -15.673 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.943 0.479 -15.394 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.582 -0.510 -16.691 1.00 0.00 H new ATOM 599 N CYS A 39 -12.732 -1.011 -18.663 1.00 0.00 N ATOM 600 CA CYS A 39 -12.721 -1.599 -19.992 1.00 0.00 C ATOM 601 C CYS A 39 -12.298 -3.064 -19.866 1.00 0.00 C ATOM 602 O CYS A 39 -11.309 -3.373 -19.204 1.00 0.00 O ATOM 603 CB CYS A 39 -11.812 -0.822 -20.946 1.00 0.00 C ATOM 604 SG CYS A 39 -12.030 -1.435 -22.657 1.00 0.00 S ATOM 0 H CYS A 39 -12.048 -0.268 -18.520 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.720 -1.547 -20.424 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.046 0.241 -20.899 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.771 -0.933 -20.641 1.00 0.00 H new ATOM 609 N PRO A 40 -13.089 -3.949 -20.529 1.00 0.00 N ATOM 610 CA PRO A 40 -12.807 -5.374 -20.498 1.00 0.00 C ATOM 611 C PRO A 40 -11.615 -5.717 -21.393 1.00 0.00 C ATOM 612 O PRO A 40 -11.229 -6.880 -21.501 1.00 0.00 O ATOM 613 CB PRO A 40 -14.097 -6.040 -20.947 1.00 0.00 C ATOM 614 CG PRO A 40 -14.900 -4.961 -21.655 1.00 0.00 C ATOM 615 CD PRO A 40 -14.268 -3.619 -21.323 1.00 0.00 C ATOM 0 HA PRO A 40 -12.517 -5.724 -19.507 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.892 -6.876 -21.616 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.647 -6.440 -20.095 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.898 -5.128 -22.732 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.940 -4.984 -21.331 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -13.996 -3.075 -22.228 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.956 -2.985 -20.764 1.00 0.00 H new ATOM 623 N LYS A 41 -11.063 -4.683 -22.011 1.00 0.00 N ATOM 624 CA LYS A 41 -9.922 -4.860 -22.893 1.00 0.00 C ATOM 625 C LYS A 41 -8.631 -4.655 -22.098 1.00 0.00 C ATOM 626 O LYS A 41 -7.564 -5.106 -22.512 1.00 0.00 O ATOM 627 CB LYS A 41 -10.043 -3.947 -24.115 1.00 0.00 C ATOM 628 CG LYS A 41 -9.302 -4.537 -25.316 1.00 0.00 C ATOM 629 CD LYS A 41 -9.112 -3.488 -26.413 1.00 0.00 C ATOM 630 CE LYS A 41 -7.631 -3.319 -26.760 1.00 0.00 C ATOM 631 NZ LYS A 41 -6.924 -2.598 -25.677 1.00 0.00 N ATOM 0 H LYS A 41 -11.385 -3.720 -21.918 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.897 -5.877 -23.284 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.094 -3.806 -24.365 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.637 -2.963 -23.880 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.331 -4.916 -24.998 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.861 -5.385 -25.712 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.666 -3.784 -27.304 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.523 -2.534 -26.084 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.173 -4.296 -26.913 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.531 -2.770 -27.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.962 -2.357 -25.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.441 -1.726 -25.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.872 -3.204 -24.833 1.00 0.00 H new ATOM 645 N LYS A 42 -8.771 -3.975 -20.969 1.00 0.00 N ATOM 646 CA LYS A 42 -7.630 -3.705 -20.111 1.00 0.00 C ATOM 647 C LYS A 42 -6.887 -5.013 -19.832 1.00 0.00 C ATOM 648 O LYS A 42 -7.368 -5.856 -19.074 1.00 0.00 O ATOM 649 CB LYS A 42 -8.072 -2.967 -18.846 1.00 0.00 C ATOM 650 CG LYS A 42 -8.413 -1.508 -19.154 1.00 0.00 C ATOM 651 CD LYS A 42 -7.228 -0.591 -18.842 1.00 0.00 C ATOM 652 CE LYS A 42 -7.678 0.635 -18.044 1.00 0.00 C ATOM 653 NZ LYS A 42 -8.250 1.660 -18.947 1.00 0.00 N ATOM 0 H LYS A 42 -9.658 -3.603 -20.629 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.927 -3.038 -20.611 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.941 -3.464 -18.415 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.278 -3.009 -18.100 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.688 -1.409 -20.204 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.279 -1.201 -18.568 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.477 -1.142 -18.276 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.756 -0.271 -19.771 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.420 0.341 -17.302 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.831 1.053 -17.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.729 2.553 -18.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.172 1.337 -19.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.251 1.811 -18.711 1.00 0.00 H new ATOM 667 N PRO A 43 -5.696 -5.147 -20.474 1.00 0.00 N ATOM 668 CA PRO A 43 -4.882 -6.338 -20.302 1.00 0.00 C ATOM 669 C PRO A 43 -4.186 -6.335 -18.940 1.00 0.00 C ATOM 670 O PRO A 43 -4.134 -5.306 -18.269 1.00 0.00 O ATOM 671 CB PRO A 43 -3.906 -6.321 -21.468 1.00 0.00 C ATOM 672 CG PRO A 43 -3.899 -4.890 -21.984 1.00 0.00 C ATOM 673 CD PRO A 43 -5.095 -4.171 -21.378 1.00 0.00 C ATOM 0 HA PRO A 43 -5.472 -7.254 -20.308 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.910 -6.626 -21.148 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.217 -7.016 -22.248 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.972 -4.389 -21.707 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.956 -4.876 -23.072 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.787 -3.273 -20.843 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.800 -3.858 -22.148 1.00 0.00 H new ATOM 681 N ARG A 44 -3.669 -7.498 -18.573 1.00 0.00 N ATOM 682 CA ARG A 44 -2.979 -7.643 -17.303 1.00 0.00 C ATOM 683 C ARG A 44 -2.078 -6.432 -17.047 1.00 0.00 C ATOM 684 O ARG A 44 -1.152 -6.170 -17.812 1.00 0.00 O ATOM 685 CB ARG A 44 -2.129 -8.915 -17.279 1.00 0.00 C ATOM 686 CG ARG A 44 -1.541 -9.155 -15.887 1.00 0.00 C ATOM 687 CD ARG A 44 -2.603 -9.696 -14.928 1.00 0.00 C ATOM 688 NE ARG A 44 -2.322 -11.113 -14.607 1.00 0.00 N ATOM 689 CZ ARG A 44 -3.056 -11.852 -13.764 1.00 0.00 C ATOM 690 NH1 ARG A 44 -4.119 -11.313 -13.152 1.00 0.00 N ATOM 691 NH2 ARG A 44 -2.726 -13.131 -13.533 1.00 0.00 N ATOM 0 H ARG A 44 -3.714 -8.349 -19.133 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.736 -7.710 -16.521 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.739 -9.770 -17.573 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.324 -8.832 -18.009 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.714 -9.861 -15.955 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.133 -8.223 -15.495 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.615 -9.103 -14.013 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.591 -9.606 -15.379 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.519 -11.555 -15.055 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.370 -10.340 -13.328 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.678 -11.876 -12.510 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.917 -13.541 -13.999 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.284 -13.694 -12.891 1.00 0.00 H new ATOM 705 N GLY A 45 -2.383 -5.726 -15.968 1.00 0.00 N ATOM 706 CA GLY A 45 -1.613 -4.549 -15.602 1.00 0.00 C ATOM 707 C GLY A 45 -1.402 -4.481 -14.088 1.00 0.00 C ATOM 708 O GLY A 45 -1.848 -5.363 -13.355 1.00 0.00 O ATOM 0 H GLY A 45 -3.152 -5.946 -15.336 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.647 -4.570 -16.107 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.130 -3.652 -15.941 1.00 0.00 H new ATOM 712 N PRO A 46 -0.704 -3.398 -13.653 1.00 0.00 N ATOM 713 CA PRO A 46 -0.211 -2.400 -14.588 1.00 0.00 C ATOM 714 C PRO A 46 1.007 -2.921 -15.354 1.00 0.00 C ATOM 715 O PRO A 46 1.849 -3.616 -14.789 1.00 0.00 O ATOM 716 CB PRO A 46 0.100 -1.181 -13.734 1.00 0.00 C ATOM 717 CG PRO A 46 0.212 -1.690 -12.307 1.00 0.00 C ATOM 718 CD PRO A 46 -0.367 -3.095 -12.265 1.00 0.00 C ATOM 0 HA PRO A 46 -0.938 -2.152 -15.362 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.028 -0.707 -14.053 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.687 -0.432 -13.821 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.253 -1.697 -11.985 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.328 -1.034 -11.624 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.354 -3.809 -11.868 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.248 -3.142 -11.624 1.00 0.00 H new ATOM 726 N ARG A 47 1.060 -2.564 -16.628 1.00 0.00 N ATOM 727 CA ARG A 47 2.161 -2.986 -17.478 1.00 0.00 C ATOM 728 C ARG A 47 3.380 -2.088 -17.253 1.00 0.00 C ATOM 729 O ARG A 47 3.264 -1.013 -16.668 1.00 0.00 O ATOM 730 CB ARG A 47 1.767 -2.938 -18.955 1.00 0.00 C ATOM 731 CG ARG A 47 2.434 -4.071 -19.739 1.00 0.00 C ATOM 732 CD ARG A 47 1.883 -4.152 -21.163 1.00 0.00 C ATOM 733 NE ARG A 47 2.889 -3.650 -22.125 1.00 0.00 N ATOM 734 CZ ARG A 47 2.609 -3.287 -23.384 1.00 0.00 C ATOM 735 NH1 ARG A 47 1.352 -3.371 -23.842 1.00 0.00 N ATOM 736 NH2 ARG A 47 3.586 -2.843 -24.186 1.00 0.00 N ATOM 0 H ARG A 47 0.359 -1.987 -17.093 1.00 0.00 H new ATOM 0 HA ARG A 47 2.408 -4.014 -17.213 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.684 -3.015 -19.049 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.056 -1.977 -19.381 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.512 -3.910 -19.771 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.268 -5.019 -19.227 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.622 -5.183 -21.402 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.968 -3.565 -21.242 1.00 0.00 H new ATOM 0 HE ARG A 47 3.856 -3.576 -21.810 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.609 -3.711 -23.232 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.139 -3.095 -24.800 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.543 -2.781 -23.838 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.373 -2.567 -25.144 1.00 0.00 H new ATOM 750 N GLY A 48 4.521 -2.563 -17.731 1.00 0.00 N ATOM 751 CA GLY A 48 5.760 -1.817 -17.590 1.00 0.00 C ATOM 752 C GLY A 48 6.903 -2.733 -17.150 1.00 0.00 C ATOM 753 O GLY A 48 6.952 -3.901 -17.533 1.00 0.00 O ATOM 0 H GLY A 48 4.613 -3.455 -18.216 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.013 -1.343 -18.538 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.627 -1.019 -16.860 1.00 0.00 H new ATOM 757 N PRO A 49 7.820 -2.153 -16.329 1.00 0.00 N ATOM 758 CA PRO A 49 8.961 -2.904 -15.833 1.00 0.00 C ATOM 759 C PRO A 49 8.539 -3.877 -14.731 1.00 0.00 C ATOM 760 O PRO A 49 8.791 -3.633 -13.552 1.00 0.00 O ATOM 761 CB PRO A 49 9.945 -1.851 -15.351 1.00 0.00 C ATOM 762 CG PRO A 49 9.136 -0.577 -15.164 1.00 0.00 C ATOM 763 CD PRO A 49 7.795 -0.772 -15.854 1.00 0.00 C ATOM 0 HA PRO A 49 9.415 -3.534 -16.598 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.416 -2.155 -14.416 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.745 -1.703 -16.077 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.993 -0.367 -14.104 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.664 0.277 -15.589 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.967 -0.605 -15.165 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.669 -0.071 -16.679 1.00 0.00 H new ATOM 771 N ARG A 50 7.905 -4.961 -15.154 1.00 0.00 N ATOM 772 CA ARG A 50 7.446 -5.972 -14.217 1.00 0.00 C ATOM 773 C ARG A 50 8.051 -7.333 -14.566 1.00 0.00 C ATOM 774 O ARG A 50 7.831 -7.853 -15.660 1.00 0.00 O ATOM 775 CB ARG A 50 5.919 -6.082 -14.230 1.00 0.00 C ATOM 776 CG ARG A 50 5.357 -6.073 -12.807 1.00 0.00 C ATOM 777 CD ARG A 50 4.843 -4.683 -12.430 1.00 0.00 C ATOM 778 NE ARG A 50 4.395 -4.674 -11.019 1.00 0.00 N ATOM 779 CZ ARG A 50 3.287 -5.284 -10.578 1.00 0.00 C ATOM 780 NH1 ARG A 50 2.506 -5.955 -11.436 1.00 0.00 N ATOM 781 NH2 ARG A 50 2.959 -5.222 -9.280 1.00 0.00 N ATOM 0 H ARG A 50 7.699 -5.161 -16.133 1.00 0.00 H new ATOM 0 HA ARG A 50 7.769 -5.672 -13.220 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.496 -5.253 -14.797 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.621 -7.000 -14.737 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.547 -6.798 -12.727 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.131 -6.381 -12.104 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.631 -3.943 -12.575 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.018 -4.402 -13.084 1.00 0.00 H new ATOM 0 HE ARG A 50 4.966 -4.171 -10.340 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.756 -6.001 -12.424 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.662 -6.420 -11.101 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.553 -4.710 -8.628 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.115 -5.687 -8.944 1.00 0.00 H new ATOM 795 N PRO A 51 8.822 -7.886 -13.592 1.00 0.00 N ATOM 796 CA PRO A 51 9.462 -9.176 -13.785 1.00 0.00 C ATOM 797 C PRO A 51 8.444 -10.314 -13.675 1.00 0.00 C ATOM 798 O PRO A 51 8.221 -10.849 -12.590 1.00 0.00 O ATOM 799 CB PRO A 51 10.545 -9.243 -12.721 1.00 0.00 C ATOM 800 CG PRO A 51 10.172 -8.198 -11.681 1.00 0.00 C ATOM 801 CD PRO A 51 9.105 -7.300 -12.285 1.00 0.00 C ATOM 0 HA PRO A 51 9.894 -9.286 -14.780 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.595 -10.237 -12.276 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.526 -9.036 -13.149 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.800 -8.677 -10.775 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.047 -7.613 -11.396 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.211 -7.273 -11.662 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.459 -6.273 -12.380 1.00 0.00 H new ATOM 809 N GLN A 52 7.855 -10.651 -14.812 1.00 0.00 N ATOM 810 CA GLN A 52 6.866 -11.716 -14.857 1.00 0.00 C ATOM 811 C GLN A 52 6.504 -12.043 -16.306 1.00 0.00 C ATOM 812 O GLN A 52 6.194 -11.147 -17.090 1.00 0.00 O ATOM 813 CB GLN A 52 5.621 -11.342 -14.050 1.00 0.00 C ATOM 814 CG GLN A 52 4.928 -12.590 -13.502 1.00 0.00 C ATOM 815 CD GLN A 52 4.510 -12.389 -12.044 1.00 0.00 C ATOM 816 OE1 GLN A 52 4.756 -11.360 -11.437 1.00 0.00 O ATOM 817 NE2 GLN A 52 3.866 -13.426 -11.518 1.00 0.00 N ATOM 0 H GLN A 52 8.043 -10.206 -15.710 1.00 0.00 H new ATOM 0 HA GLN A 52 7.299 -12.607 -14.402 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.901 -10.686 -13.226 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.928 -10.784 -14.681 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.051 -12.819 -14.107 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.599 -13.446 -13.577 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.693 -14.258 -12.082 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.545 -13.390 -10.550 1.00 0.00 H new ATOM 826 N THR A 53 6.554 -13.330 -16.620 1.00 0.00 N ATOM 827 CA THR A 53 6.235 -13.786 -17.961 1.00 0.00 C ATOM 828 C THR A 53 7.191 -13.162 -18.980 1.00 0.00 C ATOM 829 O THR A 53 7.615 -12.018 -18.818 1.00 0.00 O ATOM 830 CB THR A 53 4.764 -13.464 -18.233 1.00 0.00 C ATOM 831 OG1 THR A 53 4.052 -14.300 -17.323 1.00 0.00 O ATOM 832 CG2 THR A 53 4.305 -13.940 -19.612 1.00 0.00 C ATOM 0 H THR A 53 6.811 -14.071 -15.968 1.00 0.00 H new ATOM 0 HA THR A 53 6.370 -14.864 -18.053 1.00 0.00 H new ATOM 0 HB THR A 53 4.607 -12.389 -18.150 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.089 -14.154 -17.430 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.254 -13.686 -19.753 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.903 -13.453 -20.383 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.430 -15.020 -19.684 1.00 0.00 H new ATOM 840 N SER A 54 7.503 -13.940 -20.006 1.00 0.00 N ATOM 841 CA SER A 54 8.401 -13.476 -21.049 1.00 0.00 C ATOM 842 C SER A 54 8.091 -14.196 -22.364 1.00 0.00 C ATOM 843 O SER A 54 7.791 -13.555 -23.370 1.00 0.00 O ATOM 844 CB SER A 54 9.863 -13.698 -20.656 1.00 0.00 C ATOM 845 OG SER A 54 10.156 -13.164 -19.368 1.00 0.00 O ATOM 0 H SER A 54 7.150 -14.888 -20.137 1.00 0.00 H new ATOM 0 HA SER A 54 8.247 -12.405 -21.182 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.083 -14.766 -20.664 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.512 -13.233 -21.398 1.00 0.00 H new ATOM 0 HG SER A 54 11.098 -13.327 -19.153 1.00 0.00 H new ATOM 851 N LEU A 55 8.174 -15.517 -22.312 1.00 0.00 N ATOM 852 CA LEU A 55 7.906 -16.330 -23.486 1.00 0.00 C ATOM 853 C LEU A 55 7.323 -17.675 -23.048 1.00 0.00 C ATOM 854 O LEU A 55 7.997 -18.702 -23.122 1.00 0.00 O ATOM 855 CB LEU A 55 9.163 -16.457 -24.350 1.00 0.00 C ATOM 856 CG LEU A 55 10.354 -17.162 -23.700 1.00 0.00 C ATOM 857 CD1 LEU A 55 10.671 -18.477 -24.416 1.00 0.00 C ATOM 858 CD2 LEU A 55 11.571 -16.237 -23.635 1.00 0.00 C ATOM 0 H LEU A 55 8.423 -16.045 -21.475 1.00 0.00 H new ATOM 0 HA LEU A 55 7.160 -15.849 -24.119 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.901 -16.995 -25.261 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.477 -15.457 -24.649 1.00 0.00 H new ATOM 0 HG LEU A 55 10.084 -17.411 -22.674 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.522 -18.958 -23.934 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.805 -19.137 -24.366 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.912 -18.274 -25.459 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.404 -16.763 -23.168 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.852 -15.935 -24.644 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.325 -15.353 -23.047 1.00 0.00 H new ATOM 870 N LEU A 56 6.077 -17.626 -22.600 1.00 0.00 N ATOM 871 CA LEU A 56 5.397 -18.828 -22.148 1.00 0.00 C ATOM 872 C LEU A 56 6.282 -19.563 -21.139 1.00 0.00 C ATOM 873 O LEU A 56 7.054 -20.445 -21.511 1.00 0.00 O ATOM 874 CB LEU A 56 4.982 -19.690 -23.344 1.00 0.00 C ATOM 875 CG LEU A 56 3.537 -20.192 -23.339 1.00 0.00 C ATOM 876 CD1 LEU A 56 2.657 -19.342 -24.256 1.00 0.00 C ATOM 877 CD2 LEU A 56 3.472 -21.678 -23.699 1.00 0.00 C ATOM 0 H LEU A 56 5.521 -16.773 -22.540 1.00 0.00 H new ATOM 0 HA LEU A 56 4.472 -18.570 -21.632 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.142 -19.114 -24.255 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.646 -20.553 -23.392 1.00 0.00 H new ATOM 0 HG LEU A 56 3.143 -20.087 -22.328 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.635 -19.721 -24.233 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.668 -18.307 -23.914 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.040 -19.391 -25.275 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.434 -22.010 -23.688 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.891 -21.830 -24.694 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.044 -22.254 -22.972 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 517 -0.697 3.760 -27.878 1.00 0.00 P ATOM 891 OP1 U B 517 -0.290 5.090 -28.384 1.00 0.00 O ATOM 892 OP2 U B 517 -1.263 3.693 -26.512 1.00 0.00 O ATOM 893 O5' U B 517 -1.777 3.154 -28.891 1.00 0.00 O ATOM 894 C5' U B 517 -1.347 2.486 -30.075 1.00 0.00 C ATOM 895 C4' U B 517 -2.401 1.499 -30.525 1.00 0.00 C ATOM 896 O4' U B 517 -2.239 0.354 -29.669 1.00 0.00 O ATOM 897 C3' U B 517 -3.809 1.808 -30.027 1.00 0.00 C ATOM 898 O3' U B 517 -4.452 2.693 -30.940 1.00 0.00 O ATOM 899 C2' U B 517 -4.508 0.478 -29.962 1.00 0.00 C ATOM 900 O2' U B 517 -4.835 0.234 -31.311 1.00 0.00 O ATOM 901 C1' U B 517 -3.398 -0.399 -29.388 1.00 0.00 C ATOM 902 N1 U B 517 -3.534 -0.649 -27.938 1.00 0.00 N ATOM 903 C2 U B 517 -3.806 -1.931 -27.569 1.00 0.00 C ATOM 904 O2 U B 517 -3.935 -2.850 -28.362 1.00 0.00 O ATOM 905 N3 U B 517 -3.933 -2.165 -26.218 1.00 0.00 N ATOM 906 C4 U B 517 -3.802 -1.189 -25.262 1.00 0.00 C ATOM 907 O4 U B 517 -3.937 -1.514 -24.084 1.00 0.00 O ATOM 908 C5 U B 517 -3.520 0.131 -25.702 1.00 0.00 C ATOM 909 C6 U B 517 -3.400 0.337 -27.015 1.00 0.00 C ATOM 0 H5' U B 517 -0.407 1.967 -29.888 1.00 0.00 H new ATOM 0 H5'' U B 517 -1.158 3.213 -30.864 1.00 0.00 H new ATOM 0 H4' U B 517 -2.300 1.446 -31.609 1.00 0.00 H new ATOM 0 H3' U B 517 -3.817 2.299 -29.054 1.00 0.00 H new ATOM 0 H2' U B 517 -5.415 0.349 -29.372 1.00 0.00 H new ATOM 0 HO2' U B 517 -4.904 1.086 -31.790 1.00 0.00 H new ATOM 0 H1' U B 517 -3.401 -1.399 -29.821 1.00 0.00 H new ATOM 0 H3 U B 517 -4.136 -3.116 -25.911 1.00 0.00 H new ATOM 0 H5 U B 517 -3.406 0.942 -24.997 1.00 0.00 H new ATOM 0 H6 U B 517 -3.186 1.338 -27.360 1.00 0.00 H new ATOM 920 P U B 518 -4.184 4.268 -30.851 1.00 0.00 P ATOM 921 OP1 U B 518 -5.312 5.001 -31.467 1.00 0.00 O ATOM 922 OP2 U B 518 -2.823 4.571 -31.346 1.00 0.00 O ATOM 923 O5' U B 518 -4.213 4.549 -29.276 1.00 0.00 O ATOM 924 C5' U B 518 -4.820 5.738 -28.775 1.00 0.00 C ATOM 925 C4' U B 518 -6.302 5.519 -28.571 1.00 0.00 C ATOM 926 O4' U B 518 -6.550 4.149 -28.941 1.00 0.00 O ATOM 927 C3' U B 518 -6.705 5.242 -27.126 1.00 0.00 C ATOM 928 O3' U B 518 -6.847 6.477 -26.428 1.00 0.00 O ATOM 929 C2' U B 518 -8.012 4.505 -27.213 1.00 0.00 C ATOM 930 O2' U B 518 -8.961 5.543 -27.110 1.00 0.00 O ATOM 931 C1' U B 518 -7.887 3.865 -28.593 1.00 0.00 C ATOM 932 N1 U B 518 -8.140 2.409 -28.593 1.00 0.00 N ATOM 933 C2 U B 518 -9.301 1.999 -29.176 1.00 0.00 C ATOM 934 O2 U B 518 -10.110 2.760 -29.680 1.00 0.00 O ATOM 935 N3 U B 518 -9.538 0.643 -29.177 1.00 0.00 N ATOM 936 C4 U B 518 -8.681 -0.279 -28.632 1.00 0.00 C ATOM 937 O4 U B 518 -8.997 -1.467 -28.690 1.00 0.00 O ATOM 938 C5 U B 518 -7.486 0.202 -28.036 1.00 0.00 C ATOM 939 C6 U B 518 -7.275 1.521 -28.046 1.00 0.00 C ATOM 0 H5' U B 518 -4.659 6.560 -29.473 1.00 0.00 H new ATOM 0 H5'' U B 518 -4.354 6.024 -27.832 1.00 0.00 H new ATOM 0 H4' U B 518 -6.774 6.376 -29.053 1.00 0.00 H new ATOM 0 H3' U B 518 -5.963 4.656 -26.584 1.00 0.00 H new ATOM 0 H2' U B 518 -8.276 3.741 -26.481 1.00 0.00 H new ATOM 0 HO2' U B 518 -8.538 6.335 -26.718 1.00 0.00 H new ATOM 0 H1' U B 518 -8.627 4.253 -29.293 1.00 0.00 H new ATOM 0 H3 U B 518 -10.399 0.305 -29.607 1.00 0.00 H new ATOM 0 H5 U B 518 -6.772 -0.475 -27.590 1.00 0.00 H new ATOM 0 H6 U B 518 -6.369 1.899 -27.595 1.00 0.00 H new ATOM 950 P U B 519 -6.026 6.731 -25.077 1.00 0.00 P ATOM 951 OP1 U B 519 -5.674 8.165 -24.971 1.00 0.00 O ATOM 952 OP2 U B 519 -4.925 5.749 -24.971 1.00 0.00 O ATOM 953 O5' U B 519 -7.098 6.399 -23.938 1.00 0.00 O ATOM 954 C5' U B 519 -8.003 7.408 -23.494 1.00 0.00 C ATOM 955 C4' U B 519 -8.542 7.058 -22.125 1.00 0.00 C ATOM 956 O4' U B 519 -8.273 5.642 -21.881 1.00 0.00 O ATOM 957 C3' U B 519 -7.693 7.568 -20.965 1.00 0.00 C ATOM 958 O3' U B 519 -8.091 8.897 -20.635 1.00 0.00 O ATOM 959 C2' U B 519 -7.956 6.615 -19.832 1.00 0.00 C ATOM 960 O2' U B 519 -9.230 7.016 -19.379 1.00 0.00 O ATOM 961 C1' U B 519 -7.912 5.279 -20.567 1.00 0.00 C ATOM 962 N1 U B 519 -6.585 4.632 -20.538 1.00 0.00 N ATOM 963 C2 U B 519 -6.180 4.140 -19.335 1.00 0.00 C ATOM 964 O2 U B 519 -6.849 4.206 -18.316 1.00 0.00 O ATOM 965 N3 U B 519 -4.943 3.536 -19.305 1.00 0.00 N ATOM 966 C4 U B 519 -4.128 3.418 -20.403 1.00 0.00 C ATOM 967 O4 U B 519 -3.042 2.860 -20.259 1.00 0.00 O ATOM 968 C5 U B 519 -4.598 3.950 -21.633 1.00 0.00 C ATOM 969 C6 U B 519 -5.800 4.531 -21.640 1.00 0.00 C ATOM 0 H5' U B 519 -8.825 7.507 -24.203 1.00 0.00 H new ATOM 0 H5'' U B 519 -7.496 8.372 -23.458 1.00 0.00 H new ATOM 0 H4' U B 519 -9.565 7.434 -22.146 1.00 0.00 H new ATOM 0 H3' U B 519 -6.630 7.606 -21.201 1.00 0.00 H new ATOM 0 H2' U B 519 -7.294 6.575 -18.967 1.00 0.00 H new ATOM 0 HO2' U B 519 -9.464 7.878 -19.782 1.00 0.00 H new ATOM 0 H1' U B 519 -8.567 4.538 -20.108 1.00 0.00 H new ATOM 0 H3 U B 519 -4.614 3.155 -18.418 1.00 0.00 H new ATOM 0 H5 U B 519 -4.003 3.887 -22.532 1.00 0.00 H new ATOM 0 H6 U B 519 -6.166 4.941 -22.570 1.00 0.00 H new ATOM 980 P U B 520 -7.438 9.638 -19.375 1.00 0.00 P ATOM 981 OP1 U B 520 -6.033 9.201 -19.214 1.00 0.00 O ATOM 982 OP2 U B 520 -8.332 9.512 -18.203 1.00 0.00 O ATOM 983 O5' U B 520 -7.429 11.173 -19.827 1.00 0.00 O ATOM 984 C5' U B 520 -8.331 11.625 -20.835 1.00 0.00 C ATOM 985 C4' U B 520 -7.802 12.887 -21.478 1.00 0.00 C ATOM 986 O4' U B 520 -7.754 12.732 -22.908 1.00 0.00 O ATOM 987 C3' U B 520 -8.728 14.093 -21.354 1.00 0.00 C ATOM 988 O3' U B 520 -8.345 14.871 -20.222 1.00 0.00 O ATOM 989 C2' U B 520 -8.553 14.861 -22.635 1.00 0.00 C ATOM 990 O2' U B 520 -7.361 15.579 -22.407 1.00 0.00 O ATOM 991 C1' U B 520 -8.448 13.717 -23.640 1.00 0.00 C ATOM 992 N1 U B 520 -9.760 13.215 -24.100 1.00 0.00 N ATOM 993 C2 U B 520 -10.135 13.574 -25.359 1.00 0.00 C ATOM 994 O2 U B 520 -9.454 14.270 -26.096 1.00 0.00 O ATOM 995 N3 U B 520 -11.356 13.107 -25.791 1.00 0.00 N ATOM 996 C4 U B 520 -12.181 12.320 -25.027 1.00 0.00 C ATOM 997 O4 U B 520 -13.252 11.961 -25.516 1.00 0.00 O ATOM 998 C5 U B 520 -11.742 11.975 -23.721 1.00 0.00 C ATOM 999 C6 U B 520 -10.555 12.439 -23.323 1.00 0.00 C ATOM 0 H5' U B 520 -9.312 11.814 -20.398 1.00 0.00 H new ATOM 0 H5'' U B 520 -8.462 10.850 -21.590 1.00 0.00 H new ATOM 0 H4' U B 520 -6.848 13.044 -20.975 1.00 0.00 H new ATOM 0 H3' U B 520 -9.771 13.813 -21.208 1.00 0.00 H new ATOM 0 H2' U B 520 -9.308 15.572 -22.971 1.00 0.00 H new ATOM 0 HO2' U B 520 -7.159 15.581 -21.448 1.00 0.00 H new ATOM 0 H1' U B 520 -7.954 14.024 -24.562 1.00 0.00 H new ATOM 0 H3 U B 520 -11.664 13.360 -26.730 1.00 0.00 H new ATOM 0 H5 U B 520 -12.347 11.359 -23.073 1.00 0.00 H new ATOM 0 H6 U B 520 -10.211 12.183 -22.332 1.00 0.00 H new ATOM 1010 P G B 521 -9.464 15.574 -19.319 1.00 0.00 P ATOM 1011 OP1 G B 521 -9.961 16.791 -20.000 1.00 0.00 O ATOM 1012 OP2 G B 521 -8.965 15.722 -17.933 1.00 0.00 O ATOM 1013 O5' G B 521 -10.646 14.496 -19.306 1.00 0.00 O ATOM 1014 C5' G B 521 -12.003 14.925 -19.399 1.00 0.00 C ATOM 1015 C4' G B 521 -12.912 13.921 -18.727 1.00 0.00 C ATOM 1016 O4' G B 521 -12.796 12.638 -19.370 1.00 0.00 O ATOM 1017 C3' G B 521 -12.366 13.350 -17.422 1.00 0.00 C ATOM 1018 O3' G B 521 -12.549 14.301 -16.375 1.00 0.00 O ATOM 1019 C2' G B 521 -13.158 12.097 -17.174 1.00 0.00 C ATOM 1020 O2' G B 521 -14.233 12.560 -16.387 1.00 0.00 O ATOM 1021 C1' G B 521 -13.516 11.699 -18.603 1.00 0.00 C ATOM 1022 N9 G B 521 -13.122 10.316 -18.945 1.00 0.00 N ATOM 1023 C8 G B 521 -11.916 9.738 -18.766 1.00 0.00 C ATOM 1024 N7 G B 521 -11.885 8.477 -19.180 1.00 0.00 N ATOM 1025 C5 G B 521 -13.152 8.252 -19.647 1.00 0.00 C ATOM 1026 C6 G B 521 -13.751 7.108 -20.215 1.00 0.00 C ATOM 1027 O6 G B 521 -13.189 6.029 -20.404 1.00 0.00 O ATOM 1028 N1 G B 521 -15.057 7.203 -20.587 1.00 0.00 N ATOM 1029 C2 G B 521 -15.699 8.376 -20.392 1.00 0.00 C ATOM 1030 N2 G B 521 -16.962 8.309 -20.803 1.00 0.00 N ATOM 1031 N3 G B 521 -15.231 9.523 -19.862 1.00 0.00 N ATOM 1032 C4 G B 521 -13.925 9.362 -19.513 1.00 0.00 C ATOM 0 H5' G B 521 -12.285 15.040 -20.446 1.00 0.00 H new ATOM 0 H5'' G B 521 -12.117 15.902 -18.929 1.00 0.00 H new ATOM 0 H4' G B 521 -13.855 14.466 -18.695 1.00 0.00 H new ATOM 0 H3' G B 521 -11.299 13.132 -17.468 1.00 0.00 H new ATOM 0 H2' G B 521 -12.714 11.245 -16.660 1.00 0.00 H new ATOM 0 HO2' G B 521 -14.046 13.472 -16.081 1.00 0.00 H new ATOM 0 H1' G B 521 -14.592 11.708 -18.774 1.00 0.00 H new ATOM 0 H8 G B 521 -11.067 10.246 -18.333 1.00 0.00 H new ATOM 0 H1 G B 521 -15.540 6.407 -21.003 1.00 0.00 H new ATOM 0 H21 G B 521 -17.570 9.123 -20.717 1.00 0.00 H new ATOM 0 H22 G B 521 -17.323 7.443 -21.204 1.00 0.00 H new ATOM 1044 P C B 522 -11.678 14.196 -15.037 1.00 0.00 P ATOM 1045 OP1 C B 522 -10.275 13.875 -15.380 1.00 0.00 O ATOM 1046 OP2 C B 522 -12.362 13.314 -14.065 1.00 0.00 O ATOM 1047 O5' C B 522 -11.717 15.689 -14.463 1.00 0.00 O ATOM 1048 C5' C B 522 -10.799 16.087 -13.447 1.00 0.00 C ATOM 1049 C4' C B 522 -11.493 16.975 -12.440 1.00 0.00 C ATOM 1050 O4' C B 522 -12.513 17.636 -13.219 1.00 0.00 O ATOM 1051 C3' C B 522 -12.491 16.249 -11.541 1.00 0.00 C ATOM 1052 O3' C B 522 -11.822 15.779 -10.373 1.00 0.00 O ATOM 1053 C2' C B 522 -13.539 17.273 -11.202 1.00 0.00 C ATOM 1054 O2' C B 522 -12.904 18.049 -10.210 1.00 0.00 O ATOM 1055 C1' C B 522 -13.715 17.957 -12.555 1.00 0.00 C ATOM 1056 N1 C B 522 -14.888 17.473 -13.311 1.00 0.00 N ATOM 1057 C2 C B 522 -16.079 18.188 -13.187 1.00 0.00 C ATOM 1058 O2 C B 522 -16.098 19.183 -12.455 1.00 0.00 O ATOM 1059 N3 C B 522 -17.162 17.766 -13.866 1.00 0.00 N ATOM 1060 C4 C B 522 -17.124 16.701 -14.641 1.00 0.00 C ATOM 1061 N4 C B 522 -18.202 16.301 -15.303 1.00 0.00 N ATOM 1062 C5 C B 522 -15.902 15.944 -14.789 1.00 0.00 C ATOM 1063 C6 C B 522 -14.831 16.375 -14.106 1.00 0.00 C ATOM 0 H5' C B 522 -9.958 16.618 -13.893 1.00 0.00 H new ATOM 0 H5'' C B 522 -10.392 15.207 -12.948 1.00 0.00 H new ATOM 0 H4' C B 522 -10.706 17.503 -11.901 1.00 0.00 H new ATOM 0 H3' C B 522 -12.939 15.379 -12.021 1.00 0.00 H new ATOM 0 H2' C B 522 -14.513 16.973 -10.816 1.00 0.00 H new ATOM 0 HO2' C B 522 -12.150 17.547 -9.835 1.00 0.00 H new ATOM 0 H1' C B 522 -13.900 19.026 -12.453 1.00 0.00 H new ATOM 0 H41 C B 522 -18.157 15.475 -15.899 1.00 0.00 H new ATOM 0 H42 C B 522 -19.076 16.820 -15.216 1.00 0.00 H new ATOM 0 H5 C B 522 -15.853 15.070 -15.422 1.00 0.00 H new ATOM 0 H6 C B 522 -13.900 15.834 -14.191 1.00 0.00 H new ATOM 1075 P U B 523 -12.022 14.266 -9.892 1.00 0.00 P ATOM 1076 OP1 U B 523 -11.184 13.366 -10.716 1.00 0.00 O ATOM 1077 OP2 U B 523 -13.467 13.959 -9.800 1.00 0.00 O ATOM 1078 O5' U B 523 -11.424 14.277 -8.409 1.00 0.00 O ATOM 1079 C5' U B 523 -10.897 13.080 -7.842 1.00 0.00 C ATOM 1080 C4' U B 523 -11.081 13.089 -6.342 1.00 0.00 C ATOM 1081 O4' U B 523 -11.214 14.442 -5.867 1.00 0.00 O ATOM 1082 C3' U B 523 -12.488 12.725 -5.877 1.00 0.00 C ATOM 1083 O3' U B 523 -12.645 11.298 -5.914 1.00 0.00 O ATOM 1084 C2' U B 523 -12.593 13.257 -4.475 1.00 0.00 C ATOM 1085 O2' U B 523 -11.931 12.269 -3.718 1.00 0.00 O ATOM 1086 C1' U B 523 -11.849 14.582 -4.617 1.00 0.00 C ATOM 1087 N1 U B 523 -12.739 15.762 -4.599 1.00 0.00 N ATOM 1088 C2 U B 523 -12.727 16.508 -3.461 1.00 0.00 C ATOM 1089 O2 U B 523 -12.035 16.251 -2.488 1.00 0.00 O ATOM 1090 N3 U B 523 -13.556 17.608 -3.442 1.00 0.00 N ATOM 1091 C4 U B 523 -14.364 17.968 -4.490 1.00 0.00 C ATOM 1092 O4 U B 523 -15.063 18.972 -4.362 1.00 0.00 O ATOM 1093 C5 U B 523 -14.337 17.154 -5.654 1.00 0.00 C ATOM 1094 C6 U B 523 -13.528 16.093 -5.650 1.00 0.00 C ATOM 0 H5' U B 523 -9.838 12.989 -8.085 1.00 0.00 H new ATOM 0 H5'' U B 523 -11.399 12.213 -8.272 1.00 0.00 H new ATOM 0 H4' U B 523 -10.261 12.451 -6.013 1.00 0.00 H new ATOM 0 H3' U B 523 -13.269 13.147 -6.510 1.00 0.00 H new ATOM 0 H2' U B 523 -13.564 13.433 -4.013 1.00 0.00 H new ATOM 0 HO2' U B 523 -11.974 11.411 -4.190 1.00 0.00 H new ATOM 0 HO3' U B 523 -13.547 11.060 -5.614 1.00 0.00 H new ATOM 0 H1' U B 523 -11.169 14.762 -3.785 1.00 0.00 H new ATOM 0 H3 U B 523 -13.570 18.187 -2.602 1.00 0.00 H new ATOM 0 H5 U B 523 -14.950 17.386 -6.512 1.00 0.00 H new ATOM 0 H6 U B 523 -13.501 15.466 -6.529 1.00 0.00 H new TER 1105 U B 523 HETATM 1106 ZN ZN A 57 -14.046 -0.386 -23.032 1.00 0.00 ZN