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 Single : A 1 ALA N :NH3+ 180:sc= 0 (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 X(o=0,f=-0.48) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.519 X(o=-0.52,f=-0.54) USER MOD Single : A 12 GLN : amide:sc= -0.0164 X(o=-0.016,f=-0.34) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.66) USER MOD Single : A 25 GLN : amide:sc= -0.165 K(o=-0.17,f=-0.9) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -145:sc= 0.269 (180deg=-1.57!) USER MOD Single : A 37 LYS NZ :NH3+ -130:sc= 0.28 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= -0.0308 (180deg=-0.248) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 1.63! (180deg=1.32) USER MOD Single : A 52 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 517 U O2' : rot -32:sc= 0.506 USER MOD Single : B 518 U O2' : rot -28:sc= 0.509 USER MOD Single : B 519 U O2' : rot -15:sc= 0.372 USER MOD Single : B 520 U O2' : rot -16:sc= 0.467 USER MOD Single : B 521 G O2' : rot -26:sc= 0.307 USER MOD Single : B 522 C O2' : rot -18:sc= 0.415 USER MOD Single : B 523 U O2' : rot -36:sc= 0.36 USER MOD Single : B 523 U O3' : rot 180:sc= 0.347 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -56.919 20.397 -20.071 1.00 0.00 N ATOM 2 CA ALA A 1 -55.771 19.795 -20.726 1.00 0.00 C ATOM 3 C ALA A 1 -54.708 20.868 -20.971 1.00 0.00 C ATOM 4 O ALA A 1 -54.511 21.305 -22.104 1.00 0.00 O ATOM 5 CB ALA A 1 -56.220 19.113 -22.021 1.00 0.00 C ATOM 0 H1 ALA A 1 -57.644 19.670 -19.903 1.00 0.00 H new ATOM 0 H2 ALA A 1 -56.624 20.808 -19.162 1.00 0.00 H new ATOM 0 H3 ALA A 1 -57.313 21.144 -20.678 1.00 0.00 H new ATOM 0 HA ALA A 1 -55.326 19.029 -20.091 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -55.358 18.661 -22.512 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -56.952 18.340 -21.790 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -56.670 19.852 -22.684 1.00 0.00 H new ATOM 11 N THR A 2 -54.051 21.262 -19.890 1.00 0.00 N ATOM 12 CA THR A 2 -53.013 22.276 -19.974 1.00 0.00 C ATOM 13 C THR A 2 -51.869 21.795 -20.869 1.00 0.00 C ATOM 14 O THR A 2 -51.514 20.618 -20.850 1.00 0.00 O ATOM 15 CB THR A 2 -52.569 22.617 -18.549 1.00 0.00 C ATOM 16 OG1 THR A 2 -51.558 23.604 -18.728 1.00 0.00 O ATOM 17 CG2 THR A 2 -51.840 21.455 -17.870 1.00 0.00 C ATOM 0 H THR A 2 -54.217 20.898 -18.952 1.00 0.00 H new ATOM 0 HA THR A 2 -53.387 23.188 -20.440 1.00 0.00 H new ATOM 0 HB THR A 2 -53.438 22.897 -17.954 1.00 0.00 H new ATOM 0 HG1 THR A 2 -51.215 23.884 -17.853 1.00 0.00 H new ATOM 0 HG21 THR A 2 -51.547 21.749 -16.862 1.00 0.00 H new ATOM 0 HG22 THR A 2 -52.502 20.591 -17.818 1.00 0.00 H new ATOM 0 HG23 THR A 2 -50.951 21.197 -18.446 1.00 0.00 H new ATOM 25 N VAL A 3 -51.323 22.732 -21.630 1.00 0.00 N ATOM 26 CA VAL A 3 -50.226 22.419 -22.530 1.00 0.00 C ATOM 27 C VAL A 3 -49.226 23.577 -22.531 1.00 0.00 C ATOM 28 O VAL A 3 -49.620 24.743 -22.515 1.00 0.00 O ATOM 29 CB VAL A 3 -50.768 22.098 -23.925 1.00 0.00 C ATOM 30 CG1 VAL A 3 -51.616 20.824 -23.902 1.00 0.00 C ATOM 31 CG2 VAL A 3 -51.563 23.277 -24.489 1.00 0.00 C ATOM 0 H VAL A 3 -51.620 23.708 -21.642 1.00 0.00 H new ATOM 0 HA VAL A 3 -49.695 21.530 -22.189 1.00 0.00 H new ATOM 0 HB VAL A 3 -49.918 21.923 -24.584 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -51.990 20.617 -24.905 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -51.006 19.987 -23.562 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -52.457 20.959 -23.222 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -51.937 23.023 -25.481 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -52.403 23.498 -23.830 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -50.917 24.152 -24.558 1.00 0.00 H new ATOM 41 N VAL A 4 -47.951 23.217 -22.548 1.00 0.00 N ATOM 42 CA VAL A 4 -46.892 24.211 -22.551 1.00 0.00 C ATOM 43 C VAL A 4 -45.542 23.511 -22.723 1.00 0.00 C ATOM 44 O VAL A 4 -45.359 22.385 -22.262 1.00 0.00 O ATOM 45 CB VAL A 4 -46.968 25.059 -21.280 1.00 0.00 C ATOM 46 CG1 VAL A 4 -46.604 24.231 -20.046 1.00 0.00 C ATOM 47 CG2 VAL A 4 -46.075 26.297 -21.393 1.00 0.00 C ATOM 0 H VAL A 4 -47.628 22.250 -22.560 1.00 0.00 H new ATOM 0 HA VAL A 4 -47.012 24.896 -23.391 1.00 0.00 H new ATOM 0 HB VAL A 4 -47.997 25.398 -21.164 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -46.666 24.858 -19.156 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -47.298 23.396 -19.951 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -45.589 23.849 -20.151 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -46.147 26.883 -20.477 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -45.041 25.987 -21.545 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -46.400 26.904 -22.238 1.00 0.00 H new ATOM 57 N SER A 5 -44.632 24.207 -23.389 1.00 0.00 N ATOM 58 CA SER A 5 -43.304 23.667 -23.627 1.00 0.00 C ATOM 59 C SER A 5 -42.341 24.793 -24.006 1.00 0.00 C ATOM 60 O SER A 5 -42.769 25.853 -24.461 1.00 0.00 O ATOM 61 CB SER A 5 -43.333 22.601 -24.724 1.00 0.00 C ATOM 62 OG SER A 5 -42.155 21.798 -24.719 1.00 0.00 O ATOM 0 H SER A 5 -44.788 25.140 -23.771 1.00 0.00 H new ATOM 0 HA SER A 5 -42.956 23.195 -22.708 1.00 0.00 H new ATOM 0 HB2 SER A 5 -44.207 21.964 -24.587 1.00 0.00 H new ATOM 0 HB3 SER A 5 -43.439 23.083 -25.696 1.00 0.00 H new ATOM 0 HG SER A 5 -42.212 21.129 -25.432 1.00 0.00 H new ATOM 68 N GLY A 6 -41.059 24.525 -23.806 1.00 0.00 N ATOM 69 CA GLY A 6 -40.032 25.504 -24.122 1.00 0.00 C ATOM 70 C GLY A 6 -38.766 24.819 -24.641 1.00 0.00 C ATOM 71 O GLY A 6 -38.382 23.759 -24.152 1.00 0.00 O ATOM 0 H GLY A 6 -40.708 23.645 -23.429 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -40.407 26.201 -24.872 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -39.796 26.089 -23.233 1.00 0.00 H new ATOM 75 N GLN A 7 -38.149 25.456 -25.627 1.00 0.00 N ATOM 76 CA GLN A 7 -36.934 24.924 -26.218 1.00 0.00 C ATOM 77 C GLN A 7 -35.716 25.328 -25.385 1.00 0.00 C ATOM 78 O GLN A 7 -35.634 26.460 -24.910 1.00 0.00 O ATOM 79 CB GLN A 7 -36.783 25.384 -27.670 1.00 0.00 C ATOM 80 CG GLN A 7 -36.866 24.197 -28.633 1.00 0.00 C ATOM 81 CD GLN A 7 -36.088 24.480 -29.919 1.00 0.00 C ATOM 82 OE1 GLN A 7 -35.868 25.616 -30.305 1.00 0.00 O ATOM 83 NE2 GLN A 7 -35.686 23.386 -30.559 1.00 0.00 N ATOM 0 H GLN A 7 -38.469 26.336 -26.031 1.00 0.00 H new ATOM 0 HA GLN A 7 -37.002 23.836 -26.221 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -37.563 26.106 -27.909 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -35.828 25.893 -27.796 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -36.467 23.304 -28.151 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -37.909 23.991 -28.873 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -35.904 22.464 -30.180 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -35.159 23.468 -31.429 1.00 0.00 H new ATOM 92 N LYS A 8 -34.802 24.382 -25.233 1.00 0.00 N ATOM 93 CA LYS A 8 -33.592 24.627 -24.465 1.00 0.00 C ATOM 94 C LYS A 8 -32.429 24.886 -25.424 1.00 0.00 C ATOM 95 O LYS A 8 -32.474 24.480 -26.584 1.00 0.00 O ATOM 96 CB LYS A 8 -33.339 23.479 -23.486 1.00 0.00 C ATOM 97 CG LYS A 8 -33.124 24.007 -22.066 1.00 0.00 C ATOM 98 CD LYS A 8 -32.291 23.027 -21.237 1.00 0.00 C ATOM 99 CE LYS A 8 -31.957 23.616 -19.865 1.00 0.00 C ATOM 100 NZ LYS A 8 -32.663 22.873 -18.796 1.00 0.00 N ATOM 0 H LYS A 8 -34.874 23.444 -25.628 1.00 0.00 H new ATOM 0 HA LYS A 8 -33.704 25.521 -23.851 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -34.186 22.793 -23.498 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -32.464 22.912 -23.803 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -32.622 24.974 -22.106 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -34.088 24.168 -21.584 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -32.839 22.093 -21.112 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -31.370 22.787 -21.768 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -30.881 23.573 -19.696 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -32.243 24.668 -19.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -32.425 23.286 -17.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -33.690 22.936 -18.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -32.370 21.875 -18.815 1.00 0.00 H new ATOM 114 N GLN A 9 -31.414 25.559 -24.903 1.00 0.00 N ATOM 115 CA GLN A 9 -30.240 25.877 -25.698 1.00 0.00 C ATOM 116 C GLN A 9 -29.214 24.744 -25.606 1.00 0.00 C ATOM 117 O GLN A 9 -29.076 24.111 -24.561 1.00 0.00 O ATOM 118 CB GLN A 9 -29.627 27.209 -25.262 1.00 0.00 C ATOM 119 CG GLN A 9 -29.094 27.124 -23.830 1.00 0.00 C ATOM 120 CD GLN A 9 -30.105 27.698 -22.834 1.00 0.00 C ATOM 121 OE1 GLN A 9 -30.522 28.841 -22.923 1.00 0.00 O ATOM 122 NE2 GLN A 9 -30.473 26.843 -21.884 1.00 0.00 N ATOM 0 H GLN A 9 -31.380 25.893 -23.940 1.00 0.00 H new ATOM 0 HA GLN A 9 -30.547 25.980 -26.739 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -28.818 27.480 -25.940 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -30.376 27.998 -25.329 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -28.880 26.085 -23.579 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -28.154 27.670 -23.755 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -30.085 25.900 -21.868 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -31.144 27.130 -21.171 1.00 0.00 H new ATOM 131 N ASP A 10 -28.522 24.525 -26.715 1.00 0.00 N ATOM 132 CA ASP A 10 -27.514 23.481 -26.773 1.00 0.00 C ATOM 133 C ASP A 10 -26.134 24.096 -26.528 1.00 0.00 C ATOM 134 O ASP A 10 -25.710 24.988 -27.261 1.00 0.00 O ATOM 135 CB ASP A 10 -27.495 22.808 -28.147 1.00 0.00 C ATOM 136 CG ASP A 10 -28.465 21.636 -28.307 1.00 0.00 C ATOM 137 OD1 ASP A 10 -28.393 20.721 -27.459 1.00 0.00 O ATOM 138 OD2 ASP A 10 -29.256 21.682 -29.273 1.00 0.00 O ATOM 0 H ASP A 10 -28.640 25.053 -27.580 1.00 0.00 H new ATOM 0 HA ASP A 10 -27.754 22.739 -26.012 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -27.726 23.557 -28.905 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -26.484 22.453 -28.347 1.00 0.00 H new ATOM 143 N ARG A 11 -25.473 23.594 -25.496 1.00 0.00 N ATOM 144 CA ARG A 11 -24.150 24.083 -25.145 1.00 0.00 C ATOM 145 C ARG A 11 -23.084 23.378 -25.986 1.00 0.00 C ATOM 146 O ARG A 11 -23.087 22.154 -26.100 1.00 0.00 O ATOM 147 CB ARG A 11 -23.853 23.854 -23.661 1.00 0.00 C ATOM 148 CG ARG A 11 -22.874 24.903 -23.131 1.00 0.00 C ATOM 149 CD ARG A 11 -23.410 25.555 -21.854 1.00 0.00 C ATOM 150 NE ARG A 11 -22.286 25.929 -20.967 1.00 0.00 N ATOM 151 CZ ARG A 11 -21.399 26.894 -21.244 1.00 0.00 C ATOM 152 NH1 ARG A 11 -21.499 27.588 -22.386 1.00 0.00 N ATOM 153 NH2 ARG A 11 -20.410 27.164 -20.380 1.00 0.00 N ATOM 0 H ARG A 11 -25.828 22.854 -24.891 1.00 0.00 H new ATOM 0 HA ARG A 11 -24.128 25.154 -25.347 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -24.781 23.895 -23.090 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -23.436 22.857 -23.519 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -21.910 24.437 -22.929 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -22.706 25.666 -23.891 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -23.996 26.439 -22.105 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -24.078 24.866 -21.337 1.00 0.00 H new ATOM 0 HE ARG A 11 -22.180 25.420 -20.089 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -22.250 27.381 -23.044 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.824 28.323 -22.597 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -20.333 26.635 -19.512 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -19.735 27.899 -20.591 1.00 0.00 H new ATOM 167 N GLN A 12 -22.197 24.182 -26.554 1.00 0.00 N ATOM 168 CA GLN A 12 -21.127 23.652 -27.382 1.00 0.00 C ATOM 169 C GLN A 12 -19.852 23.478 -26.554 1.00 0.00 C ATOM 170 O GLN A 12 -19.757 23.988 -25.439 1.00 0.00 O ATOM 171 CB GLN A 12 -20.875 24.549 -28.594 1.00 0.00 C ATOM 172 CG GLN A 12 -20.334 25.913 -28.164 1.00 0.00 C ATOM 173 CD GLN A 12 -21.264 27.040 -28.618 1.00 0.00 C ATOM 174 OE1 GLN A 12 -22.424 27.111 -28.244 1.00 0.00 O ATOM 175 NE2 GLN A 12 -20.694 27.914 -29.442 1.00 0.00 N ATOM 0 H GLN A 12 -22.198 25.197 -26.457 1.00 0.00 H new ATOM 0 HA GLN A 12 -21.433 22.674 -27.753 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -20.164 24.067 -29.266 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -21.802 24.681 -29.152 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -20.226 25.940 -27.080 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.341 26.064 -28.587 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -19.718 27.796 -29.715 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -21.232 28.703 -29.801 1.00 0.00 H new ATOM 184 N GLY A 13 -18.903 22.755 -27.131 1.00 0.00 N ATOM 185 CA GLY A 13 -17.638 22.507 -26.461 1.00 0.00 C ATOM 186 C GLY A 13 -16.847 23.804 -26.289 1.00 0.00 C ATOM 187 O GLY A 13 -16.863 24.411 -25.218 1.00 0.00 O ATOM 0 H GLY A 13 -18.985 22.333 -28.056 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -17.821 22.056 -25.486 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.051 21.792 -27.037 1.00 0.00 H new ATOM 191 N GLY A 14 -16.170 24.193 -27.360 1.00 0.00 N ATOM 192 CA GLY A 14 -15.372 25.407 -27.341 1.00 0.00 C ATOM 193 C GLY A 14 -14.042 25.202 -28.069 1.00 0.00 C ATOM 194 O GLY A 14 -13.866 25.673 -29.192 1.00 0.00 O ATOM 0 H GLY A 14 -16.158 23.689 -28.246 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.927 26.218 -27.812 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.184 25.706 -26.310 1.00 0.00 H new ATOM 198 N GLU A 15 -13.141 24.498 -27.399 1.00 0.00 N ATOM 199 CA GLU A 15 -11.833 24.223 -27.969 1.00 0.00 C ATOM 200 C GLU A 15 -11.614 22.714 -28.094 1.00 0.00 C ATOM 201 O GLU A 15 -11.392 22.205 -29.192 1.00 0.00 O ATOM 202 CB GLU A 15 -10.725 24.870 -27.135 1.00 0.00 C ATOM 203 CG GLU A 15 -10.101 26.054 -27.876 1.00 0.00 C ATOM 204 CD GLU A 15 -9.612 27.121 -26.893 1.00 0.00 C ATOM 205 OE1 GLU A 15 -8.719 26.782 -26.087 1.00 0.00 O ATOM 206 OE2 GLU A 15 -10.144 28.249 -26.970 1.00 0.00 O ATOM 0 H GLU A 15 -13.291 24.110 -26.468 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.795 24.660 -28.967 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.132 25.207 -26.182 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.956 24.131 -26.910 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.267 25.707 -28.486 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.834 26.489 -28.556 1.00 0.00 H new ATOM 213 N ARG A 16 -11.684 22.042 -26.955 1.00 0.00 N ATOM 214 CA ARG A 16 -11.496 20.601 -26.923 1.00 0.00 C ATOM 215 C ARG A 16 -12.847 19.892 -26.812 1.00 0.00 C ATOM 216 O ARG A 16 -13.628 20.174 -25.903 1.00 0.00 O ATOM 217 CB ARG A 16 -10.612 20.186 -25.746 1.00 0.00 C ATOM 218 CG ARG A 16 -11.332 20.409 -24.415 1.00 0.00 C ATOM 219 CD ARG A 16 -10.334 20.714 -23.296 1.00 0.00 C ATOM 220 NE ARG A 16 -11.046 21.255 -22.116 1.00 0.00 N ATOM 221 CZ ARG A 16 -10.456 21.532 -20.945 1.00 0.00 C ATOM 222 NH1 ARG A 16 -9.142 21.320 -20.789 1.00 0.00 N ATOM 223 NH2 ARG A 16 -11.181 22.021 -19.929 1.00 0.00 N ATOM 0 H ARG A 16 -11.868 22.468 -26.047 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.004 20.311 -27.851 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.339 19.135 -25.844 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.685 20.759 -25.763 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.037 21.234 -24.513 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.912 19.523 -24.158 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.795 19.807 -23.021 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.593 21.433 -23.645 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.048 21.428 -22.199 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.590 20.948 -21.562 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.694 21.531 -19.897 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.181 22.182 -20.047 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.732 22.232 -19.038 1.00 0.00 H new ATOM 237 N ARG A 17 -13.084 18.986 -27.750 1.00 0.00 N ATOM 238 CA ARG A 17 -14.328 18.235 -27.768 1.00 0.00 C ATOM 239 C ARG A 17 -14.053 16.748 -27.535 1.00 0.00 C ATOM 240 O ARG A 17 -13.053 16.215 -28.013 1.00 0.00 O ATOM 241 CB ARG A 17 -15.056 18.409 -29.102 1.00 0.00 C ATOM 242 CG ARG A 17 -14.084 18.294 -30.277 1.00 0.00 C ATOM 243 CD ARG A 17 -14.757 17.639 -31.485 1.00 0.00 C ATOM 244 NE ARG A 17 -13.837 16.665 -32.112 1.00 0.00 N ATOM 245 CZ ARG A 17 -14.076 16.045 -33.274 1.00 0.00 C ATOM 246 NH1 ARG A 17 -15.210 16.295 -33.946 1.00 0.00 N ATOM 247 NH2 ARG A 17 -13.184 15.176 -33.768 1.00 0.00 N ATOM 0 H ARG A 17 -12.436 18.755 -28.503 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.961 18.621 -26.969 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.836 17.653 -29.196 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.549 19.381 -29.127 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.721 19.285 -30.551 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.215 17.708 -29.978 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.673 17.137 -31.173 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -15.042 18.401 -32.210 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.965 16.452 -31.628 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.889 16.957 -33.571 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.393 15.823 -34.832 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.321 14.986 -33.258 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.368 14.704 -34.654 1.00 0.00 H new ATOM 261 N ARG A 18 -14.958 16.120 -26.799 1.00 0.00 N ATOM 262 CA ARG A 18 -14.826 14.705 -26.496 1.00 0.00 C ATOM 263 C ARG A 18 -15.058 13.869 -27.757 1.00 0.00 C ATOM 264 O ARG A 18 -16.190 13.498 -28.061 1.00 0.00 O ATOM 265 CB ARG A 18 -15.824 14.276 -25.419 1.00 0.00 C ATOM 266 CG ARG A 18 -15.315 14.645 -24.023 1.00 0.00 C ATOM 267 CD ARG A 18 -16.473 15.037 -23.103 1.00 0.00 C ATOM 268 NE ARG A 18 -16.616 16.509 -23.069 1.00 0.00 N ATOM 269 CZ ARG A 18 -17.715 17.147 -22.643 1.00 0.00 C ATOM 270 NH1 ARG A 18 -18.771 16.446 -22.210 1.00 0.00 N ATOM 271 NH2 ARG A 18 -17.757 18.486 -22.648 1.00 0.00 N ATOM 0 H ARG A 18 -15.786 16.565 -26.403 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.815 14.539 -26.125 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -16.786 14.756 -25.598 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.988 13.200 -25.478 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.775 13.801 -23.594 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.608 15.472 -24.096 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.398 14.582 -23.455 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.294 14.657 -22.097 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.829 17.074 -23.390 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -18.739 15.427 -22.204 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -19.607 16.932 -21.886 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.952 19.020 -22.976 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.594 18.971 -22.324 1.00 0.00 H new ATOM 285 N SER A 19 -13.966 13.596 -28.456 1.00 0.00 N ATOM 286 CA SER A 19 -14.035 12.811 -29.677 1.00 0.00 C ATOM 287 C SER A 19 -14.955 11.605 -29.472 1.00 0.00 C ATOM 288 O SER A 19 -14.524 10.571 -28.966 1.00 0.00 O ATOM 289 CB SER A 19 -12.645 12.348 -30.115 1.00 0.00 C ATOM 290 OG SER A 19 -11.903 13.397 -30.733 1.00 0.00 O ATOM 0 H SER A 19 -13.028 13.905 -28.200 1.00 0.00 H new ATOM 0 HA SER A 19 -14.443 13.443 -30.466 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.097 11.978 -29.249 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.743 11.515 -30.811 1.00 0.00 H new ATOM 0 HG SER A 19 -11.021 13.062 -30.997 1.00 0.00 H new ATOM 296 N GLN A 20 -16.206 11.781 -29.874 1.00 0.00 N ATOM 297 CA GLN A 20 -17.190 10.720 -29.741 1.00 0.00 C ATOM 298 C GLN A 20 -16.988 9.971 -28.422 1.00 0.00 C ATOM 299 O GLN A 20 -16.962 8.742 -28.399 1.00 0.00 O ATOM 300 CB GLN A 20 -17.127 9.761 -30.931 1.00 0.00 C ATOM 301 CG GLN A 20 -18.348 9.930 -31.837 1.00 0.00 C ATOM 302 CD GLN A 20 -18.717 8.608 -32.514 1.00 0.00 C ATOM 303 OE1 GLN A 20 -18.718 7.550 -31.907 1.00 0.00 O ATOM 304 NE2 GLN A 20 -19.029 8.728 -33.800 1.00 0.00 N ATOM 0 H GLN A 20 -16.560 12.642 -30.291 1.00 0.00 H new ATOM 0 HA GLN A 20 -18.182 11.171 -29.732 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.217 9.945 -31.503 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.076 8.733 -30.572 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.193 10.290 -31.251 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.141 10.685 -32.595 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -19.008 9.645 -34.247 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.290 7.903 -34.341 1.00 0.00 H new ATOM 313 N LEU A 21 -16.851 10.744 -27.355 1.00 0.00 N ATOM 314 CA LEU A 21 -16.653 10.170 -26.035 1.00 0.00 C ATOM 315 C LEU A 21 -17.714 10.719 -25.079 1.00 0.00 C ATOM 316 O LEU A 21 -17.609 11.852 -24.614 1.00 0.00 O ATOM 317 CB LEU A 21 -15.217 10.404 -25.559 1.00 0.00 C ATOM 318 CG LEU A 21 -14.896 9.933 -24.140 1.00 0.00 C ATOM 319 CD1 LEU A 21 -15.314 10.982 -23.107 1.00 0.00 C ATOM 320 CD2 LEU A 21 -15.528 8.568 -23.858 1.00 0.00 C ATOM 0 H LEU A 21 -16.873 11.764 -27.378 1.00 0.00 H new ATOM 0 HA LEU A 21 -16.782 9.088 -26.068 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.540 9.901 -26.249 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.003 11.471 -25.623 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.816 9.811 -24.057 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.075 10.623 -22.106 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.778 11.912 -23.296 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.387 11.159 -23.182 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.284 8.257 -22.842 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.610 8.639 -23.966 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.140 7.835 -24.565 1.00 0.00 H new ATOM 332 N ASP A 22 -18.712 9.889 -24.815 1.00 0.00 N ATOM 333 CA ASP A 22 -19.792 10.276 -23.924 1.00 0.00 C ATOM 334 C ASP A 22 -19.338 10.103 -22.473 1.00 0.00 C ATOM 335 O ASP A 22 -18.338 9.437 -22.208 1.00 0.00 O ATOM 336 CB ASP A 22 -21.027 9.400 -24.141 1.00 0.00 C ATOM 337 CG ASP A 22 -22.365 10.139 -24.072 1.00 0.00 C ATOM 338 OD1 ASP A 22 -22.524 10.937 -23.122 1.00 0.00 O ATOM 339 OD2 ASP A 22 -23.197 9.891 -24.971 1.00 0.00 O ATOM 0 H ASP A 22 -18.795 8.949 -25.203 1.00 0.00 H new ATOM 0 HA ASP A 22 -20.046 11.315 -24.135 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.945 8.918 -25.115 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -21.028 8.608 -23.392 1.00 0.00 H new ATOM 344 N ARG A 23 -20.094 10.712 -21.572 1.00 0.00 N ATOM 345 CA ARG A 23 -19.781 10.633 -20.156 1.00 0.00 C ATOM 346 C ARG A 23 -19.980 9.204 -19.647 1.00 0.00 C ATOM 347 O ARG A 23 -19.637 8.894 -18.508 1.00 0.00 O ATOM 348 CB ARG A 23 -20.662 11.584 -19.343 1.00 0.00 C ATOM 349 CG ARG A 23 -20.175 13.028 -19.471 1.00 0.00 C ATOM 350 CD ARG A 23 -18.952 13.275 -18.585 1.00 0.00 C ATOM 351 NE ARG A 23 -19.319 13.115 -17.160 1.00 0.00 N ATOM 352 CZ ARG A 23 -18.431 13.023 -16.161 1.00 0.00 C ATOM 353 NH1 ARG A 23 -17.118 13.073 -16.425 1.00 0.00 N ATOM 354 NH2 ARG A 23 -18.855 12.879 -14.898 1.00 0.00 N ATOM 0 H ARG A 23 -20.923 11.263 -21.795 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.738 10.925 -20.030 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -21.694 11.513 -19.687 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.654 11.286 -18.295 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.924 13.240 -20.510 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -20.976 13.712 -19.190 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.157 12.576 -18.845 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.564 14.279 -18.759 1.00 0.00 H new ATOM 0 HE ARG A 23 -20.310 13.072 -16.924 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.795 13.181 -17.386 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.442 13.003 -15.665 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.854 12.839 -14.697 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.179 12.809 -14.138 1.00 0.00 H new ATOM 368 N ASP A 24 -20.533 8.372 -20.517 1.00 0.00 N ATOM 369 CA ASP A 24 -20.782 6.984 -20.171 1.00 0.00 C ATOM 370 C ASP A 24 -20.274 6.082 -21.297 1.00 0.00 C ATOM 371 O ASP A 24 -20.729 4.948 -21.444 1.00 0.00 O ATOM 372 CB ASP A 24 -22.279 6.720 -19.992 1.00 0.00 C ATOM 373 CG ASP A 24 -22.624 5.535 -19.089 1.00 0.00 C ATOM 374 OD1 ASP A 24 -22.427 5.679 -17.863 1.00 0.00 O ATOM 375 OD2 ASP A 24 -23.077 4.510 -19.644 1.00 0.00 O ATOM 0 H ASP A 24 -20.816 8.633 -21.462 1.00 0.00 H new ATOM 0 HA ASP A 24 -20.264 6.773 -19.235 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -22.744 7.617 -19.582 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -22.722 6.551 -20.973 1.00 0.00 H new ATOM 380 N GLN A 25 -19.338 6.620 -22.065 1.00 0.00 N ATOM 381 CA GLN A 25 -18.763 5.878 -23.175 1.00 0.00 C ATOM 382 C GLN A 25 -17.287 5.578 -22.905 1.00 0.00 C ATOM 383 O GLN A 25 -16.503 6.489 -22.644 1.00 0.00 O ATOM 384 CB GLN A 25 -18.935 6.639 -24.491 1.00 0.00 C ATOM 385 CG GLN A 25 -19.401 5.703 -25.609 1.00 0.00 C ATOM 386 CD GLN A 25 -18.560 5.896 -26.872 1.00 0.00 C ATOM 387 OE1 GLN A 25 -17.371 6.165 -26.821 1.00 0.00 O ATOM 388 NE2 GLN A 25 -19.240 5.743 -28.003 1.00 0.00 N ATOM 0 H GLN A 25 -18.963 7.561 -21.941 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.295 4.931 -23.268 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.660 7.442 -24.359 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.990 7.105 -24.772 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.330 4.668 -25.275 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -20.450 5.894 -25.834 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.234 5.518 -27.974 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.768 5.851 -28.901 1.00 0.00 H new ATOM 397 N CYS A 26 -16.954 4.298 -22.977 1.00 0.00 N ATOM 398 CA CYS A 26 -15.587 3.866 -22.743 1.00 0.00 C ATOM 399 C CYS A 26 -14.674 4.612 -23.718 1.00 0.00 C ATOM 400 O CYS A 26 -14.933 4.636 -24.920 1.00 0.00 O ATOM 401 CB CYS A 26 -15.442 2.348 -22.873 1.00 0.00 C ATOM 402 SG CYS A 26 -13.688 1.867 -22.671 1.00 0.00 S ATOM 0 H CYS A 26 -17.608 3.546 -23.194 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.298 4.106 -21.720 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -16.053 1.850 -22.120 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -15.807 2.022 -23.847 1.00 0.00 H new ATOM 407 N ALA A 27 -13.625 5.203 -23.164 1.00 0.00 N ATOM 408 CA ALA A 27 -12.674 5.947 -23.971 1.00 0.00 C ATOM 409 C ALA A 27 -11.444 5.074 -24.237 1.00 0.00 C ATOM 410 O ALA A 27 -10.322 5.575 -24.287 1.00 0.00 O ATOM 411 CB ALA A 27 -12.316 7.256 -23.262 1.00 0.00 C ATOM 0 H ALA A 27 -13.413 5.181 -22.166 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.110 6.207 -24.936 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.602 7.814 -23.868 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.218 7.852 -23.122 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.873 7.035 -22.291 1.00 0.00 H new ATOM 417 N TYR A 28 -11.699 3.785 -24.400 1.00 0.00 N ATOM 418 CA TYR A 28 -10.627 2.838 -24.661 1.00 0.00 C ATOM 419 C TYR A 28 -10.953 1.959 -25.870 1.00 0.00 C ATOM 420 O TYR A 28 -10.151 1.848 -26.795 1.00 0.00 O ATOM 421 CB TYR A 28 -10.535 1.954 -23.415 1.00 0.00 C ATOM 422 CG TYR A 28 -9.175 1.276 -23.235 1.00 0.00 C ATOM 423 CD1 TYR A 28 -8.105 1.994 -22.740 1.00 0.00 C ATOM 424 CD2 TYR A 28 -9.019 -0.055 -23.566 1.00 0.00 C ATOM 425 CE1 TYR A 28 -6.826 1.354 -22.570 1.00 0.00 C ATOM 426 CE2 TYR A 28 -7.740 -0.694 -23.395 1.00 0.00 C ATOM 427 CZ TYR A 28 -6.706 0.042 -22.906 1.00 0.00 C ATOM 428 OH TYR A 28 -5.499 -0.562 -22.746 1.00 0.00 O ATOM 0 H TYR A 28 -12.631 3.373 -24.357 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.695 3.362 -24.874 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.747 2.561 -22.535 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.308 1.187 -23.467 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.227 3.035 -22.480 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.856 -0.617 -23.953 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.981 1.904 -22.184 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.605 -1.735 -23.649 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.563 -1.499 -23.026 1.00 0.00 H new ATOM 438 N CYS A 29 -12.133 1.359 -25.825 1.00 0.00 N ATOM 439 CA CYS A 29 -12.575 0.494 -26.906 1.00 0.00 C ATOM 440 C CYS A 29 -13.685 1.214 -27.674 1.00 0.00 C ATOM 441 O CYS A 29 -13.924 0.923 -28.845 1.00 0.00 O ATOM 442 CB CYS A 29 -13.034 -0.870 -26.387 1.00 0.00 C ATOM 443 SG CYS A 29 -14.479 -0.666 -25.283 1.00 0.00 S ATOM 0 H CYS A 29 -12.797 1.455 -25.057 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.741 0.292 -27.578 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.294 -1.518 -27.224 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -12.220 -1.356 -25.849 1.00 0.00 H new ATOM 448 N LYS A 30 -14.332 2.142 -26.985 1.00 0.00 N ATOM 449 CA LYS A 30 -15.411 2.907 -27.588 1.00 0.00 C ATOM 450 C LYS A 30 -16.741 2.193 -27.334 1.00 0.00 C ATOM 451 O LYS A 30 -17.682 2.331 -28.113 1.00 0.00 O ATOM 452 CB LYS A 30 -15.123 3.162 -29.069 1.00 0.00 C ATOM 453 CG LYS A 30 -13.658 3.545 -29.285 1.00 0.00 C ATOM 454 CD LYS A 30 -13.537 4.982 -29.799 1.00 0.00 C ATOM 455 CE LYS A 30 -12.433 5.738 -29.057 1.00 0.00 C ATOM 456 NZ LYS A 30 -11.757 6.690 -29.967 1.00 0.00 N ATOM 0 H LYS A 30 -14.130 2.382 -26.014 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.484 3.892 -27.126 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.358 2.269 -29.648 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.769 3.959 -29.437 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.110 3.443 -28.349 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.201 2.860 -29.999 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.322 4.973 -30.867 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.487 5.500 -29.670 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.858 6.275 -28.209 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.707 5.031 -28.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.010 7.195 -29.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.335 6.170 -30.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.450 7.375 -30.330 1.00 0.00 H new ATOM 470 N GLU A 31 -16.774 1.446 -26.240 1.00 0.00 N ATOM 471 CA GLU A 31 -17.972 0.711 -25.873 1.00 0.00 C ATOM 472 C GLU A 31 -18.750 1.467 -24.795 1.00 0.00 C ATOM 473 O GLU A 31 -18.223 1.732 -23.715 1.00 0.00 O ATOM 474 CB GLU A 31 -17.627 -0.705 -25.409 1.00 0.00 C ATOM 475 CG GLU A 31 -17.046 -1.532 -26.558 1.00 0.00 C ATOM 476 CD GLU A 31 -16.408 -2.822 -26.038 1.00 0.00 C ATOM 477 OE1 GLU A 31 -17.046 -3.461 -25.174 1.00 0.00 O ATOM 478 OE2 GLU A 31 -15.298 -3.139 -26.516 1.00 0.00 O ATOM 0 H GLU A 31 -15.991 1.334 -25.596 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.605 0.624 -26.756 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.909 -0.658 -24.590 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -18.521 -1.193 -25.021 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.834 -1.774 -27.271 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.301 -0.944 -27.093 1.00 0.00 H new ATOM 485 N LYS A 32 -19.991 1.794 -25.124 1.00 0.00 N ATOM 486 CA LYS A 32 -20.846 2.514 -24.196 1.00 0.00 C ATOM 487 C LYS A 32 -21.405 1.537 -23.159 1.00 0.00 C ATOM 488 O LYS A 32 -21.829 0.435 -23.505 1.00 0.00 O ATOM 489 CB LYS A 32 -21.926 3.289 -24.954 1.00 0.00 C ATOM 490 CG LYS A 32 -22.691 4.225 -24.015 1.00 0.00 C ATOM 491 CD LYS A 32 -22.765 5.640 -24.591 1.00 0.00 C ATOM 492 CE LYS A 32 -24.145 6.257 -24.356 1.00 0.00 C ATOM 493 NZ LYS A 32 -24.033 7.476 -23.523 1.00 0.00 N ATOM 0 H LYS A 32 -20.425 1.574 -26.020 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.270 3.263 -23.651 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -21.468 3.868 -25.756 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.620 2.590 -25.421 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -23.698 3.841 -23.854 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -22.201 4.250 -23.042 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -22.000 6.265 -24.129 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -22.552 5.613 -25.660 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.607 6.504 -25.312 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -24.795 5.533 -23.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -24.863 7.549 -22.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -23.170 7.423 -22.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -23.987 8.314 -24.138 1.00 0.00 H new ATOM 507 N GLY A 33 -21.386 1.975 -21.909 1.00 0.00 N ATOM 508 CA GLY A 33 -21.884 1.153 -20.820 1.00 0.00 C ATOM 509 C GLY A 33 -20.856 1.054 -19.692 1.00 0.00 C ATOM 510 O GLY A 33 -21.205 1.157 -18.517 1.00 0.00 O ATOM 0 H GLY A 33 -21.033 2.889 -21.626 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.812 1.577 -20.435 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.119 0.155 -21.191 1.00 0.00 H new ATOM 514 N HIS A 34 -19.607 0.856 -20.088 1.00 0.00 N ATOM 515 CA HIS A 34 -18.526 0.742 -19.125 1.00 0.00 C ATOM 516 C HIS A 34 -17.506 1.857 -19.365 1.00 0.00 C ATOM 517 O HIS A 34 -17.408 2.387 -20.470 1.00 0.00 O ATOM 518 CB HIS A 34 -17.900 -0.653 -19.173 1.00 0.00 C ATOM 519 CG HIS A 34 -17.092 -0.922 -20.420 1.00 0.00 C ATOM 520 ND1 HIS A 34 -17.553 -1.715 -21.456 1.00 0.00 N ATOM 521 CD2 HIS A 34 -15.849 -0.494 -20.786 1.00 0.00 C ATOM 522 CE1 HIS A 34 -16.622 -1.756 -22.398 1.00 0.00 C ATOM 523 NE2 HIS A 34 -15.567 -0.999 -21.980 1.00 0.00 N ATOM 0 H HIS A 34 -19.320 0.772 -21.063 1.00 0.00 H new ATOM 0 HA HIS A 34 -18.919 0.866 -18.116 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -17.258 -0.782 -18.302 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -18.692 -1.398 -19.098 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -18.456 -2.188 -21.489 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.204 0.147 -20.203 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.687 -2.294 -23.332 1.00 0.00 H new ATOM 531 N TRP A 35 -16.772 2.181 -18.310 1.00 0.00 N ATOM 532 CA TRP A 35 -15.763 3.223 -18.391 1.00 0.00 C ATOM 533 C TRP A 35 -14.439 2.570 -18.794 1.00 0.00 C ATOM 534 O TRP A 35 -14.278 1.357 -18.669 1.00 0.00 O ATOM 535 CB TRP A 35 -15.671 4.001 -17.078 1.00 0.00 C ATOM 536 CG TRP A 35 -16.502 5.285 -17.054 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.766 5.457 -17.467 1.00 0.00 C ATOM 538 CD2 TRP A 35 -16.076 6.578 -16.575 1.00 0.00 C ATOM 539 NE1 TRP A 35 -18.183 6.760 -17.288 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.123 7.463 -16.730 1.00 0.00 C ATOM 541 CE3 TRP A 35 -14.846 6.985 -16.029 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.046 8.812 -16.362 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -14.786 8.336 -15.667 1.00 0.00 C ATOM 544 CH2 TRP A 35 -15.831 9.241 -15.816 1.00 0.00 C ATOM 0 H TRP A 35 -16.856 1.740 -17.394 1.00 0.00 H new ATOM 0 HA TRP A 35 -16.031 3.961 -19.147 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -15.996 3.355 -16.262 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -14.627 4.253 -16.889 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -18.380 4.674 -17.887 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -19.101 7.138 -17.522 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.014 6.309 -15.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.880 9.486 -16.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.863 8.701 -15.242 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -15.706 10.270 -15.512 1.00 0.00 H new ATOM 555 N ALA A 36 -13.524 3.403 -19.268 1.00 0.00 N ATOM 556 CA ALA A 36 -12.220 2.922 -19.689 1.00 0.00 C ATOM 557 C ALA A 36 -11.522 2.252 -18.503 1.00 0.00 C ATOM 558 O ALA A 36 -10.796 1.274 -18.678 1.00 0.00 O ATOM 559 CB ALA A 36 -11.407 4.084 -20.264 1.00 0.00 C ATOM 0 H ALA A 36 -13.661 4.409 -19.370 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.322 2.176 -20.477 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.428 3.722 -20.580 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.932 4.506 -21.121 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.281 4.852 -19.501 1.00 0.00 H new ATOM 565 N LYS A 37 -11.765 2.805 -17.325 1.00 0.00 N ATOM 566 CA LYS A 37 -11.169 2.273 -16.111 1.00 0.00 C ATOM 567 C LYS A 37 -11.759 0.893 -15.821 1.00 0.00 C ATOM 568 O LYS A 37 -11.273 0.178 -14.945 1.00 0.00 O ATOM 569 CB LYS A 37 -11.327 3.266 -14.957 1.00 0.00 C ATOM 570 CG LYS A 37 -10.528 4.544 -15.220 1.00 0.00 C ATOM 571 CD LYS A 37 -11.458 5.712 -15.557 1.00 0.00 C ATOM 572 CE LYS A 37 -10.693 6.838 -16.255 1.00 0.00 C ATOM 573 NZ LYS A 37 -9.973 7.668 -15.263 1.00 0.00 N ATOM 0 H LYS A 37 -12.367 3.617 -17.184 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.095 2.139 -16.240 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.381 3.512 -14.826 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.989 2.806 -14.028 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.931 4.791 -14.342 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.832 4.379 -16.043 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.267 5.364 -16.200 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.917 6.091 -14.644 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.984 6.417 -16.968 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.386 7.459 -16.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.183 8.672 -15.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.280 7.407 -14.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.949 7.508 -15.354 1.00 0.00 H new ATOM 587 N ASP A 38 -12.798 0.558 -16.571 1.00 0.00 N ATOM 588 CA ASP A 38 -13.460 -0.724 -16.405 1.00 0.00 C ATOM 589 C ASP A 38 -13.570 -1.416 -17.765 1.00 0.00 C ATOM 590 O ASP A 38 -14.435 -2.269 -17.963 1.00 0.00 O ATOM 591 CB ASP A 38 -14.874 -0.547 -15.848 1.00 0.00 C ATOM 592 CG ASP A 38 -15.323 -1.630 -14.866 1.00 0.00 C ATOM 593 OD1 ASP A 38 -14.663 -2.691 -14.851 1.00 0.00 O ATOM 594 OD2 ASP A 38 -16.315 -1.371 -14.151 1.00 0.00 O ATOM 0 H ASP A 38 -13.198 1.153 -17.296 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.871 -1.320 -15.708 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.933 0.421 -15.350 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.576 -0.520 -16.682 1.00 0.00 H new ATOM 599 N CYS A 39 -12.683 -1.024 -18.667 1.00 0.00 N ATOM 600 CA CYS A 39 -12.669 -1.596 -20.002 1.00 0.00 C ATOM 601 C CYS A 39 -12.229 -3.057 -19.895 1.00 0.00 C ATOM 602 O CYS A 39 -11.195 -3.356 -19.298 1.00 0.00 O ATOM 603 CB CYS A 39 -11.772 -0.798 -20.951 1.00 0.00 C ATOM 604 SG CYS A 39 -11.972 -1.410 -22.664 1.00 0.00 S ATOM 0 H CYS A 39 -11.968 -0.316 -18.499 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.671 -1.550 -20.430 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.028 0.260 -20.902 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.730 -0.889 -20.643 1.00 0.00 H new ATOM 609 N PRO A 40 -13.056 -3.953 -20.499 1.00 0.00 N ATOM 610 CA PRO A 40 -12.762 -5.376 -20.476 1.00 0.00 C ATOM 611 C PRO A 40 -11.628 -5.716 -21.446 1.00 0.00 C ATOM 612 O PRO A 40 -11.054 -6.804 -21.379 1.00 0.00 O ATOM 613 CB PRO A 40 -14.074 -6.054 -20.834 1.00 0.00 C ATOM 614 CG PRO A 40 -14.929 -4.985 -21.496 1.00 0.00 C ATOM 615 CD PRO A 40 -14.287 -3.636 -21.215 1.00 0.00 C ATOM 0 HA PRO A 40 -12.405 -5.717 -19.504 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.908 -6.894 -21.508 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.564 -6.451 -19.945 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.996 -5.160 -22.570 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.946 -5.013 -21.105 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.080 -3.096 -22.139 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.942 -3.003 -20.616 1.00 0.00 H new ATOM 623 N LYS A 41 -11.338 -4.768 -22.325 1.00 0.00 N ATOM 624 CA LYS A 41 -10.284 -4.954 -23.306 1.00 0.00 C ATOM 625 C LYS A 41 -8.924 -4.765 -22.630 1.00 0.00 C ATOM 626 O LYS A 41 -7.890 -5.096 -23.206 1.00 0.00 O ATOM 627 CB LYS A 41 -10.504 -4.037 -24.510 1.00 0.00 C ATOM 628 CG LYS A 41 -9.945 -4.664 -25.789 1.00 0.00 C ATOM 629 CD LYS A 41 -9.238 -3.618 -26.651 1.00 0.00 C ATOM 630 CE LYS A 41 -7.719 -3.778 -26.573 1.00 0.00 C ATOM 631 NZ LYS A 41 -7.295 -5.029 -27.239 1.00 0.00 N ATOM 0 H LYS A 41 -11.815 -3.868 -22.378 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.306 -5.970 -23.700 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.569 -3.842 -24.633 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.022 -3.076 -24.332 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.247 -5.460 -25.532 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.755 -5.121 -26.358 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.565 -3.714 -27.686 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.519 -2.618 -26.320 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.233 -2.925 -27.046 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.402 -3.789 -25.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.309 -4.937 -27.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.371 -5.822 -26.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.907 -5.210 -28.060 1.00 0.00 H new ATOM 645 N LYS A 42 -8.971 -4.235 -21.417 1.00 0.00 N ATOM 646 CA LYS A 42 -7.756 -3.998 -20.656 1.00 0.00 C ATOM 647 C LYS A 42 -7.147 -5.341 -20.245 1.00 0.00 C ATOM 648 O LYS A 42 -7.731 -6.074 -19.449 1.00 0.00 O ATOM 649 CB LYS A 42 -8.036 -3.063 -19.477 1.00 0.00 C ATOM 650 CG LYS A 42 -7.972 -1.598 -19.913 1.00 0.00 C ATOM 651 CD LYS A 42 -8.043 -0.663 -18.704 1.00 0.00 C ATOM 652 CE LYS A 42 -7.811 0.791 -19.121 1.00 0.00 C ATOM 653 NZ LYS A 42 -8.354 1.715 -18.100 1.00 0.00 N ATOM 0 H LYS A 42 -9.832 -3.963 -20.942 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.015 -3.486 -21.270 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.020 -3.280 -19.062 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.309 -3.243 -18.685 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.048 -1.418 -20.462 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.795 -1.381 -20.594 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.017 -0.756 -18.224 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.295 -0.958 -17.968 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.744 0.972 -19.253 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.288 0.981 -20.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.988 2.674 -18.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.392 1.725 -18.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.063 1.396 -17.154 1.00 0.00 H new ATOM 667 N PRO A 43 -5.951 -5.630 -20.824 1.00 0.00 N ATOM 668 CA PRO A 43 -5.256 -6.871 -20.526 1.00 0.00 C ATOM 669 C PRO A 43 -4.613 -6.820 -19.139 1.00 0.00 C ATOM 670 O PRO A 43 -3.389 -6.823 -19.017 1.00 0.00 O ATOM 671 CB PRO A 43 -4.240 -7.031 -21.646 1.00 0.00 C ATOM 672 CG PRO A 43 -4.084 -5.653 -22.268 1.00 0.00 C ATOM 673 CD PRO A 43 -5.230 -4.785 -21.772 1.00 0.00 C ATOM 0 HA PRO A 43 -5.926 -7.730 -20.488 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.288 -7.395 -21.260 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.583 -7.756 -22.384 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.125 -5.215 -21.990 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.100 -5.721 -23.356 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.861 -3.878 -21.293 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.874 -4.472 -22.594 1.00 0.00 H new ATOM 681 N ARG A 44 -5.467 -6.774 -18.127 1.00 0.00 N ATOM 682 CA ARG A 44 -4.997 -6.723 -16.752 1.00 0.00 C ATOM 683 C ARG A 44 -5.999 -7.411 -15.824 1.00 0.00 C ATOM 684 O ARG A 44 -7.186 -7.089 -15.837 1.00 0.00 O ATOM 685 CB ARG A 44 -4.796 -5.278 -16.293 1.00 0.00 C ATOM 686 CG ARG A 44 -6.061 -4.449 -16.518 1.00 0.00 C ATOM 687 CD ARG A 44 -6.557 -3.837 -15.206 1.00 0.00 C ATOM 688 NE ARG A 44 -7.989 -3.487 -15.319 1.00 0.00 N ATOM 689 CZ ARG A 44 -8.775 -3.185 -14.276 1.00 0.00 C ATOM 690 NH1 ARG A 44 -8.270 -3.190 -13.034 1.00 0.00 N ATOM 691 NH2 ARG A 44 -10.064 -2.879 -14.474 1.00 0.00 N ATOM 0 H ARG A 44 -6.482 -6.771 -18.231 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.040 -7.243 -16.708 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.530 -5.262 -15.236 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.964 -4.832 -16.838 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.857 -3.657 -17.239 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.841 -5.078 -16.947 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.410 -4.542 -14.388 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.975 -2.947 -14.968 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.405 -3.475 -16.250 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.289 -3.423 -12.883 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.867 -2.960 -12.240 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.448 -2.876 -15.419 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.661 -2.649 -13.680 1.00 0.00 H new ATOM 705 N GLY A 45 -5.485 -8.346 -15.039 1.00 0.00 N ATOM 706 CA GLY A 45 -6.319 -9.082 -14.105 1.00 0.00 C ATOM 707 C GLY A 45 -5.604 -10.338 -13.603 1.00 0.00 C ATOM 708 O GLY A 45 -4.471 -10.612 -13.997 1.00 0.00 O ATOM 0 H GLY A 45 -4.500 -8.611 -15.031 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.576 -8.443 -13.260 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.255 -9.361 -14.589 1.00 0.00 H new ATOM 712 N PRO A 46 -6.314 -11.088 -12.717 1.00 0.00 N ATOM 713 CA PRO A 46 -7.649 -10.693 -12.302 1.00 0.00 C ATOM 714 C PRO A 46 -7.593 -9.522 -11.319 1.00 0.00 C ATOM 715 O PRO A 46 -8.295 -8.527 -11.494 1.00 0.00 O ATOM 716 CB PRO A 46 -8.261 -11.947 -11.699 1.00 0.00 C ATOM 717 CG PRO A 46 -7.093 -12.866 -11.375 1.00 0.00 C ATOM 718 CD PRO A 46 -5.865 -12.327 -12.090 1.00 0.00 C ATOM 0 HA PRO A 46 -8.257 -10.329 -13.130 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.832 -11.710 -10.801 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.949 -12.421 -12.399 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.923 -12.903 -10.299 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.307 -13.885 -11.699 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.049 -12.144 -11.391 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.496 -13.035 -12.832 1.00 0.00 H new ATOM 726 N ARG A 47 -6.753 -9.679 -10.307 1.00 0.00 N ATOM 727 CA ARG A 47 -6.597 -8.648 -9.296 1.00 0.00 C ATOM 728 C ARG A 47 -5.654 -9.127 -8.191 1.00 0.00 C ATOM 729 O ARG A 47 -5.507 -10.327 -7.972 1.00 0.00 O ATOM 730 CB ARG A 47 -7.947 -8.272 -8.680 1.00 0.00 C ATOM 731 CG ARG A 47 -8.650 -9.506 -8.109 1.00 0.00 C ATOM 732 CD ARG A 47 -10.171 -9.343 -8.164 1.00 0.00 C ATOM 733 NE ARG A 47 -10.738 -9.425 -6.798 1.00 0.00 N ATOM 734 CZ ARG A 47 -10.862 -10.563 -6.104 1.00 0.00 C ATOM 735 NH1 ARG A 47 -10.460 -11.724 -6.640 1.00 0.00 N ATOM 736 NH2 ARG A 47 -11.388 -10.542 -4.872 1.00 0.00 N ATOM 0 H ARG A 47 -6.173 -10.506 -10.166 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.175 -7.768 -9.781 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.798 -7.535 -7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.579 -7.806 -9.436 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.355 -10.391 -8.673 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.334 -9.665 -7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.426 -8.385 -8.616 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.606 -10.119 -8.794 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.054 -8.560 -6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.059 -11.741 -7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.555 -12.590 -6.110 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.694 -9.659 -4.463 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.483 -11.409 -4.343 1.00 0.00 H new ATOM 750 N GLY A 48 -5.041 -8.162 -7.522 1.00 0.00 N ATOM 751 CA GLY A 48 -4.117 -8.469 -6.443 1.00 0.00 C ATOM 752 C GLY A 48 -2.734 -7.873 -6.720 1.00 0.00 C ATOM 753 O GLY A 48 -2.357 -7.679 -7.874 1.00 0.00 O ATOM 0 H GLY A 48 -5.166 -7.167 -7.706 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.505 -8.075 -5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.035 -9.550 -6.326 1.00 0.00 H new ATOM 757 N PRO A 49 -1.999 -7.589 -5.612 1.00 0.00 N ATOM 758 CA PRO A 49 -0.667 -7.019 -5.723 1.00 0.00 C ATOM 759 C PRO A 49 0.346 -8.076 -6.168 1.00 0.00 C ATOM 760 O PRO A 49 0.631 -9.017 -5.429 1.00 0.00 O ATOM 761 CB PRO A 49 -0.367 -6.450 -4.346 1.00 0.00 C ATOM 762 CG PRO A 49 -1.338 -7.129 -3.393 1.00 0.00 C ATOM 763 CD PRO A 49 -2.414 -7.804 -4.228 1.00 0.00 C ATOM 0 HA PRO A 49 -0.604 -6.240 -6.483 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.665 -6.648 -4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.500 -5.368 -4.333 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.818 -7.862 -2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.782 -6.399 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.486 -8.867 -3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.395 -7.369 -4.037 1.00 0.00 H new ATOM 771 N ARG A 50 0.863 -7.883 -7.373 1.00 0.00 N ATOM 772 CA ARG A 50 1.838 -8.807 -7.925 1.00 0.00 C ATOM 773 C ARG A 50 2.845 -8.056 -8.798 1.00 0.00 C ATOM 774 O ARG A 50 2.592 -7.817 -9.978 1.00 0.00 O ATOM 775 CB ARG A 50 1.157 -9.892 -8.762 1.00 0.00 C ATOM 776 CG ARG A 50 0.378 -10.863 -7.872 1.00 0.00 C ATOM 777 CD ARG A 50 0.304 -12.252 -8.508 1.00 0.00 C ATOM 778 NE ARG A 50 -0.534 -12.207 -9.727 1.00 0.00 N ATOM 779 CZ ARG A 50 -1.053 -13.289 -10.323 1.00 0.00 C ATOM 780 NH1 ARG A 50 -0.822 -14.508 -9.817 1.00 0.00 N ATOM 781 NH2 ARG A 50 -1.802 -13.153 -11.425 1.00 0.00 N ATOM 0 H ARG A 50 0.625 -7.100 -7.982 1.00 0.00 H new ATOM 0 HA ARG A 50 2.356 -9.280 -7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.481 -9.430 -9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.906 -10.439 -9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.858 -10.931 -6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.629 -10.481 -7.706 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.306 -12.600 -8.758 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.113 -12.965 -7.797 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.729 -11.295 -10.139 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.251 -14.612 -8.978 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.217 -15.332 -10.271 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.978 -12.225 -11.811 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.197 -13.977 -11.878 1.00 0.00 H new ATOM 795 N PRO A 51 3.996 -7.696 -8.170 1.00 0.00 N ATOM 796 CA PRO A 51 5.042 -6.978 -8.877 1.00 0.00 C ATOM 797 C PRO A 51 5.808 -7.910 -9.818 1.00 0.00 C ATOM 798 O PRO A 51 6.951 -8.273 -9.544 1.00 0.00 O ATOM 799 CB PRO A 51 5.919 -6.386 -7.785 1.00 0.00 C ATOM 800 CG PRO A 51 5.605 -7.173 -6.524 1.00 0.00 C ATOM 801 CD PRO A 51 4.330 -7.964 -6.774 1.00 0.00 C ATOM 0 HA PRO A 51 4.650 -6.194 -9.525 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.974 -6.469 -8.044 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.707 -5.326 -7.646 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.428 -7.844 -6.277 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.477 -6.500 -5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.484 -9.029 -6.601 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.529 -7.646 -6.107 1.00 0.00 H new ATOM 809 N GLN A 52 5.146 -8.271 -10.908 1.00 0.00 N ATOM 810 CA GLN A 52 5.751 -9.155 -11.891 1.00 0.00 C ATOM 811 C GLN A 52 6.107 -10.498 -11.251 1.00 0.00 C ATOM 812 O GLN A 52 7.192 -10.655 -10.693 1.00 0.00 O ATOM 813 CB GLN A 52 6.981 -8.507 -12.528 1.00 0.00 C ATOM 814 CG GLN A 52 6.829 -8.416 -14.047 1.00 0.00 C ATOM 815 CD GLN A 52 7.459 -9.629 -14.735 1.00 0.00 C ATOM 816 OE1 GLN A 52 8.430 -10.204 -14.271 1.00 0.00 O ATOM 817 NE2 GLN A 52 6.852 -9.986 -15.863 1.00 0.00 N ATOM 0 H GLN A 52 4.198 -7.968 -11.132 1.00 0.00 H new ATOM 0 HA GLN A 52 5.025 -9.335 -12.684 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.127 -7.510 -12.113 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.870 -9.087 -12.282 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.772 -8.354 -14.307 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.301 -7.502 -14.409 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.043 -9.461 -16.195 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.195 -10.785 -16.396 1.00 0.00 H new ATOM 826 N THR A 53 5.172 -11.432 -11.352 1.00 0.00 N ATOM 827 CA THR A 53 5.375 -12.757 -10.788 1.00 0.00 C ATOM 828 C THR A 53 5.750 -13.751 -11.889 1.00 0.00 C ATOM 829 O THR A 53 5.512 -13.497 -13.068 1.00 0.00 O ATOM 830 CB THR A 53 4.108 -13.144 -10.025 1.00 0.00 C ATOM 831 OG1 THR A 53 4.441 -14.384 -9.405 1.00 0.00 O ATOM 832 CG2 THR A 53 2.946 -13.495 -10.957 1.00 0.00 C ATOM 0 H THR A 53 4.273 -11.298 -11.815 1.00 0.00 H new ATOM 0 HA THR A 53 6.209 -12.767 -10.086 1.00 0.00 H new ATOM 0 HB THR A 53 3.814 -12.323 -9.371 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.674 -14.707 -8.887 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.072 -13.762 -10.364 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.710 -12.635 -11.584 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.228 -14.338 -11.588 1.00 0.00 H new ATOM 840 N SER A 54 6.331 -14.864 -11.463 1.00 0.00 N ATOM 841 CA SER A 54 6.742 -15.898 -12.397 1.00 0.00 C ATOM 842 C SER A 54 6.636 -17.273 -11.734 1.00 0.00 C ATOM 843 O SER A 54 6.786 -17.394 -10.519 1.00 0.00 O ATOM 844 CB SER A 54 8.168 -15.657 -12.894 1.00 0.00 C ATOM 845 OG SER A 54 8.479 -16.455 -14.033 1.00 0.00 O ATOM 0 H SER A 54 6.526 -15.072 -10.484 1.00 0.00 H new ATOM 0 HA SER A 54 6.076 -15.864 -13.259 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.291 -14.603 -13.145 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.873 -15.878 -12.093 1.00 0.00 H new ATOM 0 HG SER A 54 9.397 -16.271 -14.321 1.00 0.00 H new ATOM 851 N LEU A 55 6.379 -18.276 -12.562 1.00 0.00 N ATOM 852 CA LEU A 55 6.252 -19.637 -12.071 1.00 0.00 C ATOM 853 C LEU A 55 4.999 -19.746 -11.199 1.00 0.00 C ATOM 854 O LEU A 55 4.983 -19.263 -10.068 1.00 0.00 O ATOM 855 CB LEU A 55 7.535 -20.073 -11.362 1.00 0.00 C ATOM 856 CG LEU A 55 8.802 -20.092 -12.219 1.00 0.00 C ATOM 857 CD1 LEU A 55 9.778 -18.997 -11.781 1.00 0.00 C ATOM 858 CD2 LEU A 55 9.453 -21.477 -12.205 1.00 0.00 C ATOM 0 H LEU A 55 6.255 -18.172 -13.569 1.00 0.00 H new ATOM 0 HA LEU A 55 6.123 -20.331 -12.902 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.703 -19.407 -10.515 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.380 -21.072 -10.956 1.00 0.00 H new ATOM 0 HG LEU A 55 8.519 -19.878 -13.250 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.670 -19.033 -12.407 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.301 -18.022 -11.884 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.059 -19.155 -10.740 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.352 -21.463 -12.822 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.719 -21.744 -11.182 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.753 -22.212 -12.601 1.00 0.00 H new ATOM 870 N LEU A 56 3.981 -20.382 -11.759 1.00 0.00 N ATOM 871 CA LEU A 56 2.728 -20.561 -11.046 1.00 0.00 C ATOM 872 C LEU A 56 2.941 -21.532 -9.883 1.00 0.00 C ATOM 873 O LEU A 56 3.548 -21.176 -8.874 1.00 0.00 O ATOM 874 CB LEU A 56 1.619 -20.988 -12.010 1.00 0.00 C ATOM 875 CG LEU A 56 0.785 -19.859 -12.616 1.00 0.00 C ATOM 876 CD1 LEU A 56 -0.102 -19.201 -11.556 1.00 0.00 C ATOM 877 CD2 LEU A 56 1.677 -18.840 -13.329 1.00 0.00 C ATOM 0 H LEU A 56 3.998 -20.780 -12.698 1.00 0.00 H new ATOM 0 HA LEU A 56 2.397 -19.616 -10.615 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.071 -21.556 -12.823 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.948 -21.666 -11.483 1.00 0.00 H new ATOM 0 HG LEU A 56 0.123 -20.290 -13.367 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.684 -18.402 -12.014 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.777 -19.945 -11.133 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.523 -18.787 -10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.059 -18.048 -13.751 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.381 -18.410 -12.616 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.228 -19.335 -14.129 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 517 -3.903 -3.016 -31.589 1.00 0.00 P ATOM 891 OP1 U B 517 -3.187 -3.075 -32.883 1.00 0.00 O ATOM 892 OP2 U B 517 -3.549 -4.026 -30.566 1.00 0.00 O ATOM 893 O5' U B 517 -3.662 -1.566 -30.957 1.00 0.00 O ATOM 894 C5' U B 517 -3.192 -0.500 -31.778 1.00 0.00 C ATOM 895 C4' U B 517 -4.318 0.465 -32.075 1.00 0.00 C ATOM 896 O4' U B 517 -5.480 -0.262 -32.516 1.00 0.00 O ATOM 897 C3' U B 517 -5.053 0.974 -30.838 1.00 0.00 C ATOM 898 O3' U B 517 -4.284 2.002 -30.218 1.00 0.00 O ATOM 899 C2' U B 517 -6.369 1.497 -31.346 1.00 0.00 C ATOM 900 O2' U B 517 -6.031 2.786 -31.808 1.00 0.00 O ATOM 901 C1' U B 517 -6.682 0.471 -32.431 1.00 0.00 C ATOM 902 N1 U B 517 -7.822 -0.408 -32.100 1.00 0.00 N ATOM 903 C2 U B 517 -9.063 0.095 -32.344 1.00 0.00 C ATOM 904 O2 U B 517 -9.264 1.205 -32.810 1.00 0.00 O ATOM 905 N3 U B 517 -10.127 -0.723 -32.036 1.00 0.00 N ATOM 906 C4 U B 517 -9.989 -1.983 -31.509 1.00 0.00 C ATOM 907 O4 U B 517 -11.011 -2.625 -31.272 1.00 0.00 O ATOM 908 C5 U B 517 -8.672 -2.459 -31.274 1.00 0.00 C ATOM 909 C6 U B 517 -7.655 -1.650 -31.580 1.00 0.00 C ATOM 0 H5' U B 517 -2.790 -0.899 -32.709 1.00 0.00 H new ATOM 0 H5'' U B 517 -2.378 0.023 -31.277 1.00 0.00 H new ATOM 0 H4' U B 517 -3.824 1.200 -32.711 1.00 0.00 H new ATOM 0 H3' U B 517 -5.207 0.200 -30.087 1.00 0.00 H new ATOM 0 H2' U B 517 -7.229 1.597 -30.683 1.00 0.00 H new ATOM 0 HO2' U B 517 -5.304 3.149 -31.261 1.00 0.00 H new ATOM 0 H1' U B 517 -6.987 0.943 -33.365 1.00 0.00 H new ATOM 0 H3 U B 517 -11.070 -0.373 -32.209 1.00 0.00 H new ATOM 0 H5 U B 517 -8.499 -3.442 -30.862 1.00 0.00 H new ATOM 0 H6 U B 517 -6.649 -2.002 -31.405 1.00 0.00 H new ATOM 920 P U B 518 -3.419 1.678 -28.913 1.00 0.00 P ATOM 921 OP1 U B 518 -1.978 1.798 -29.227 1.00 0.00 O ATOM 922 OP2 U B 518 -3.882 0.408 -28.310 1.00 0.00 O ATOM 923 O5' U B 518 -3.809 2.869 -27.917 1.00 0.00 O ATOM 924 C5' U B 518 -3.942 4.199 -28.415 1.00 0.00 C ATOM 925 C4' U B 518 -5.404 4.580 -28.490 1.00 0.00 C ATOM 926 O4' U B 518 -6.175 3.487 -29.022 1.00 0.00 O ATOM 927 C3' U B 518 -6.149 4.491 -27.160 1.00 0.00 C ATOM 928 O3' U B 518 -5.830 5.627 -26.361 1.00 0.00 O ATOM 929 C2' U B 518 -7.607 4.463 -27.524 1.00 0.00 C ATOM 930 O2' U B 518 -7.925 5.833 -27.633 1.00 0.00 O ATOM 931 C1' U B 518 -7.558 3.695 -28.842 1.00 0.00 C ATOM 932 N1 U B 518 -8.291 2.413 -28.804 1.00 0.00 N ATOM 933 C2 U B 518 -9.539 2.416 -29.348 1.00 0.00 C ATOM 934 O2 U B 518 -10.059 3.402 -29.846 1.00 0.00 O ATOM 935 N3 U B 518 -10.224 1.222 -29.314 1.00 0.00 N ATOM 936 C4 U B 518 -9.714 0.069 -28.772 1.00 0.00 C ATOM 937 O4 U B 518 -10.416 -0.941 -28.797 1.00 0.00 O ATOM 938 C5 U B 518 -8.407 0.121 -28.219 1.00 0.00 C ATOM 939 C6 U B 518 -7.761 1.288 -28.262 1.00 0.00 C ATOM 0 H5' U B 518 -3.487 4.273 -29.403 1.00 0.00 H new ATOM 0 H5'' U B 518 -3.409 4.894 -27.766 1.00 0.00 H new ATOM 0 H4' U B 518 -5.352 5.548 -28.989 1.00 0.00 H new ATOM 0 H3' U B 518 -5.877 3.610 -26.578 1.00 0.00 H new ATOM 0 H2' U B 518 -8.342 4.003 -26.863 1.00 0.00 H new ATOM 0 HO2' U B 518 -7.335 6.353 -27.049 1.00 0.00 H new ATOM 0 H1' U B 518 -8.040 4.241 -29.653 1.00 0.00 H new ATOM 0 H3 U B 518 -11.162 1.193 -29.714 1.00 0.00 H new ATOM 0 H5 U B 518 -7.951 -0.754 -27.779 1.00 0.00 H new ATOM 0 H6 U B 518 -6.766 1.339 -27.844 1.00 0.00 H new ATOM 950 P U B 519 -5.104 5.432 -24.948 1.00 0.00 P ATOM 951 OP1 U B 519 -4.192 6.570 -24.694 1.00 0.00 O ATOM 952 OP2 U B 519 -4.534 4.069 -24.864 1.00 0.00 O ATOM 953 O5' U B 519 -6.314 5.526 -23.906 1.00 0.00 O ATOM 954 C5' U B 519 -7.006 6.760 -23.727 1.00 0.00 C ATOM 955 C4' U B 519 -7.807 6.726 -22.444 1.00 0.00 C ATOM 956 O4' U B 519 -7.870 5.369 -21.945 1.00 0.00 O ATOM 957 C3' U B 519 -7.087 7.317 -21.235 1.00 0.00 C ATOM 958 O3' U B 519 -7.308 8.725 -21.194 1.00 0.00 O ATOM 959 C2' U B 519 -7.688 6.629 -20.041 1.00 0.00 C ATOM 960 O2' U B 519 -8.925 7.290 -19.893 1.00 0.00 O ATOM 961 C1' U B 519 -7.767 5.193 -20.550 1.00 0.00 C ATOM 962 N1 U B 519 -6.585 4.378 -20.200 1.00 0.00 N ATOM 963 C2 U B 519 -6.455 4.036 -18.889 1.00 0.00 C ATOM 964 O2 U B 519 -7.248 4.366 -18.021 1.00 0.00 O ATOM 965 N3 U B 519 -5.354 3.276 -18.561 1.00 0.00 N ATOM 966 C4 U B 519 -4.417 2.865 -19.474 1.00 0.00 C ATOM 967 O4 U B 519 -3.473 2.188 -19.067 1.00 0.00 O ATOM 968 C5 U B 519 -4.601 3.249 -20.828 1.00 0.00 C ATOM 969 C6 U B 519 -5.674 3.985 -21.124 1.00 0.00 C ATOM 0 H5' U B 519 -7.668 6.940 -24.574 1.00 0.00 H new ATOM 0 H5'' U B 519 -6.294 7.584 -23.698 1.00 0.00 H new ATOM 0 H4' U B 519 -8.730 7.235 -22.722 1.00 0.00 H new ATOM 0 H3' U B 519 -6.008 7.167 -21.267 1.00 0.00 H new ATOM 0 H2' U B 519 -7.187 6.643 -19.073 1.00 0.00 H new ATOM 0 HO2' U B 519 -8.921 8.115 -20.423 1.00 0.00 H new ATOM 0 H1' U B 519 -8.597 4.645 -20.104 1.00 0.00 H new ATOM 0 H3 U B 519 -5.229 3.004 -17.586 1.00 0.00 H new ATOM 0 H5 U B 519 -3.897 2.956 -21.592 1.00 0.00 H new ATOM 0 H6 U B 519 -5.824 4.283 -22.151 1.00 0.00 H new ATOM 980 P U B 520 -6.269 9.677 -20.435 1.00 0.00 P ATOM 981 OP1 U B 520 -5.239 10.150 -21.388 1.00 0.00 O ATOM 982 OP2 U B 520 -5.800 9.015 -19.198 1.00 0.00 O ATOM 983 O5' U B 520 -7.168 10.931 -20.017 1.00 0.00 O ATOM 984 C5' U B 520 -8.104 11.479 -20.943 1.00 0.00 C ATOM 985 C4' U B 520 -7.691 12.882 -21.329 1.00 0.00 C ATOM 986 O4' U B 520 -7.625 13.001 -22.763 1.00 0.00 O ATOM 987 C3' U B 520 -8.730 13.954 -21.015 1.00 0.00 C ATOM 988 O3' U B 520 -8.451 14.525 -19.738 1.00 0.00 O ATOM 989 C2' U B 520 -8.599 14.970 -22.115 1.00 0.00 C ATOM 990 O2' U B 520 -7.478 15.723 -21.709 1.00 0.00 O ATOM 991 C1' U B 520 -8.375 14.058 -23.318 1.00 0.00 C ATOM 992 N1 U B 520 -9.628 13.563 -23.924 1.00 0.00 N ATOM 993 C2 U B 520 -9.999 14.139 -25.100 1.00 0.00 C ATOM 994 O2 U B 520 -9.358 15.018 -25.656 1.00 0.00 O ATOM 995 N3 U B 520 -11.167 13.680 -25.666 1.00 0.00 N ATOM 996 C4 U B 520 -11.945 12.696 -25.109 1.00 0.00 C ATOM 997 O4 U B 520 -12.970 12.364 -25.704 1.00 0.00 O ATOM 998 C5 U B 520 -11.513 12.129 -23.881 1.00 0.00 C ATOM 999 C6 U B 520 -10.378 12.589 -23.350 1.00 0.00 C ATOM 0 H5' U B 520 -9.100 11.493 -20.500 1.00 0.00 H new ATOM 0 H5'' U B 520 -8.159 10.850 -21.832 1.00 0.00 H new ATOM 0 H4' U B 520 -6.760 13.028 -20.781 1.00 0.00 H new ATOM 0 H3' U B 520 -9.745 13.560 -20.970 1.00 0.00 H new ATOM 0 H2' U B 520 -9.406 15.669 -22.334 1.00 0.00 H new ATOM 0 HO2' U B 520 -7.288 15.544 -20.764 1.00 0.00 H new ATOM 0 H1' U B 520 -7.882 14.577 -24.140 1.00 0.00 H new ATOM 0 H3 U B 520 -11.471 14.094 -26.547 1.00 0.00 H new ATOM 0 H5 U B 520 -12.083 11.352 -23.393 1.00 0.00 H new ATOM 0 H6 U B 520 -10.040 12.164 -22.416 1.00 0.00 H new ATOM 1010 P G B 521 -8.870 13.748 -18.404 1.00 0.00 P ATOM 1011 OP1 G B 521 -8.788 14.666 -17.246 1.00 0.00 O ATOM 1012 OP2 G B 521 -8.126 12.472 -18.317 1.00 0.00 O ATOM 1013 O5' G B 521 -10.412 13.405 -18.657 1.00 0.00 O ATOM 1014 C5' G B 521 -11.419 14.353 -18.308 1.00 0.00 C ATOM 1015 C4' G B 521 -12.646 13.638 -17.789 1.00 0.00 C ATOM 1016 O4' G B 521 -12.949 12.534 -18.688 1.00 0.00 O ATOM 1017 C3' G B 521 -12.375 12.681 -16.631 1.00 0.00 C ATOM 1018 O3' G B 521 -12.300 13.419 -15.413 1.00 0.00 O ATOM 1019 C2' G B 521 -13.537 11.725 -16.627 1.00 0.00 C ATOM 1020 O2' G B 521 -14.551 12.473 -15.994 1.00 0.00 O ATOM 1021 C1' G B 521 -13.726 11.501 -18.125 1.00 0.00 C ATOM 1022 N9 G B 521 -13.265 10.175 -18.585 1.00 0.00 N ATOM 1023 C8 G B 521 -12.026 9.652 -18.469 1.00 0.00 C ATOM 1024 N7 G B 521 -11.934 8.431 -18.986 1.00 0.00 N ATOM 1025 C5 G B 521 -13.195 8.176 -19.454 1.00 0.00 C ATOM 1026 C6 G B 521 -13.740 7.051 -20.108 1.00 0.00 C ATOM 1027 O6 G B 521 -13.125 6.024 -20.391 1.00 0.00 O ATOM 1028 N1 G B 521 -15.055 7.104 -20.455 1.00 0.00 N ATOM 1029 C2 G B 521 -15.756 8.221 -20.155 1.00 0.00 C ATOM 1030 N2 G B 521 -17.021 8.118 -20.557 1.00 0.00 N ATOM 1031 N3 G B 521 -15.342 9.344 -19.539 1.00 0.00 N ATOM 1032 C4 G B 521 -14.024 9.227 -19.220 1.00 0.00 C ATOM 0 H5' G B 521 -11.680 14.955 -19.178 1.00 0.00 H new ATOM 0 H5'' G B 521 -11.039 15.037 -17.549 1.00 0.00 H new ATOM 0 H4' G B 521 -13.345 14.455 -17.608 1.00 0.00 H new ATOM 0 H3' G B 521 -11.431 12.145 -16.734 1.00 0.00 H new ATOM 0 H2' G B 521 -13.470 10.762 -16.121 1.00 0.00 H new ATOM 0 HO2' G B 521 -14.144 13.143 -15.406 1.00 0.00 H new ATOM 0 H1' G B 521 -14.777 11.520 -18.413 1.00 0.00 H new ATOM 0 H8 G B 521 -11.199 10.170 -18.006 1.00 0.00 H new ATOM 0 H1 G B 521 -15.501 6.320 -20.930 1.00 0.00 H new ATOM 0 H21 G B 521 -17.671 8.888 -20.397 1.00 0.00 H new ATOM 0 H22 G B 521 -17.340 7.269 -21.025 1.00 0.00 H new ATOM 1044 P C B 522 -10.981 13.341 -14.512 1.00 0.00 P ATOM 1045 OP1 C B 522 -10.942 14.494 -13.584 1.00 0.00 O ATOM 1046 OP2 C B 522 -9.800 13.119 -15.376 1.00 0.00 O ATOM 1047 O5' C B 522 -11.214 12.016 -13.645 1.00 0.00 O ATOM 1048 C5' C B 522 -10.110 11.374 -13.012 1.00 0.00 C ATOM 1049 C4' C B 522 -10.245 11.469 -11.509 1.00 0.00 C ATOM 1050 O4' C B 522 -11.272 12.442 -11.240 1.00 0.00 O ATOM 1051 C3' C B 522 -10.943 10.277 -10.863 1.00 0.00 C ATOM 1052 O3' C B 522 -9.972 9.295 -10.505 1.00 0.00 O ATOM 1053 C2' C B 522 -11.637 10.833 -9.651 1.00 0.00 C ATOM 1054 O2' C B 522 -10.582 10.971 -8.725 1.00 0.00 O ATOM 1055 C1' C B 522 -12.191 12.139 -10.214 1.00 0.00 C ATOM 1056 N1 C B 522 -13.564 12.016 -10.747 1.00 0.00 N ATOM 1057 C2 C B 522 -14.614 12.442 -9.935 1.00 0.00 C ATOM 1058 O2 C B 522 -14.350 12.898 -8.817 1.00 0.00 O ATOM 1059 N3 C B 522 -15.873 12.340 -10.398 1.00 0.00 N ATOM 1060 C4 C B 522 -16.136 11.851 -11.592 1.00 0.00 C ATOM 1061 N4 C B 522 -17.386 11.758 -12.031 1.00 0.00 N ATOM 1062 C5 C B 522 -15.066 11.403 -12.453 1.00 0.00 C ATOM 1063 C6 C B 522 -13.817 11.510 -11.978 1.00 0.00 C ATOM 0 H5' C B 522 -9.177 11.839 -13.331 1.00 0.00 H new ATOM 0 H5'' C B 522 -10.065 10.328 -13.315 1.00 0.00 H new ATOM 0 H4' C B 522 -9.229 11.628 -11.149 1.00 0.00 H new ATOM 0 H3' C B 522 -11.655 9.790 -11.529 1.00 0.00 H new ATOM 0 H2' C B 522 -12.438 10.281 -9.160 1.00 0.00 H new ATOM 0 HO2' C B 522 -9.819 10.429 -9.015 1.00 0.00 H new ATOM 0 H1' C B 522 -12.282 12.910 -9.449 1.00 0.00 H new ATOM 0 H41 C B 522 -17.574 11.377 -12.958 1.00 0.00 H new ATOM 0 H42 C B 522 -18.158 12.068 -11.441 1.00 0.00 H new ATOM 0 H5 C B 522 -15.263 11.000 -13.435 1.00 0.00 H new ATOM 0 H6 C B 522 -12.991 11.184 -12.593 1.00 0.00 H new ATOM 1075 P U B 523 -10.279 7.743 -10.744 1.00 0.00 P ATOM 1076 OP1 U B 523 -10.391 7.475 -12.195 1.00 0.00 O ATOM 1077 OP2 U B 523 -11.405 7.319 -9.882 1.00 0.00 O ATOM 1078 O5' U B 523 -8.951 7.027 -10.210 1.00 0.00 O ATOM 1079 C5' U B 523 -7.715 7.218 -10.894 1.00 0.00 C ATOM 1080 C4' U B 523 -6.651 6.318 -10.305 1.00 0.00 C ATOM 1081 O4' U B 523 -6.411 6.919 -8.998 1.00 0.00 O ATOM 1082 C3' U B 523 -7.182 5.008 -9.731 1.00 0.00 C ATOM 1083 O3' U B 523 -7.157 3.998 -10.750 1.00 0.00 O ATOM 1084 C2' U B 523 -6.256 4.670 -8.594 1.00 0.00 C ATOM 1085 O2' U B 523 -5.116 4.177 -9.261 1.00 0.00 O ATOM 1086 C1' U B 523 -6.094 6.040 -7.942 1.00 0.00 C ATOM 1087 N1 U B 523 -6.988 6.251 -6.784 1.00 0.00 N ATOM 1088 C2 U B 523 -6.563 7.147 -5.851 1.00 0.00 C ATOM 1089 O2 U B 523 -5.511 7.761 -5.930 1.00 0.00 O ATOM 1090 N3 U B 523 -7.394 7.344 -4.771 1.00 0.00 N ATOM 1091 C4 U B 523 -8.592 6.696 -4.604 1.00 0.00 C ATOM 1092 O4 U B 523 -9.253 6.952 -3.599 1.00 0.00 O ATOM 1093 C5 U B 523 -8.987 5.772 -5.607 1.00 0.00 C ATOM 1094 C6 U B 523 -8.167 5.596 -6.646 1.00 0.00 C ATOM 0 H5' U B 523 -7.405 8.260 -10.817 1.00 0.00 H new ATOM 0 H5'' U B 523 -7.840 7.001 -11.955 1.00 0.00 H new ATOM 0 H4' U B 523 -5.884 6.190 -11.069 1.00 0.00 H new ATOM 0 H3' U B 523 -8.213 5.081 -9.383 1.00 0.00 H new ATOM 0 H2' U B 523 -6.539 3.939 -7.836 1.00 0.00 H new ATOM 0 HO2' U B 523 -5.394 3.673 -10.054 1.00 0.00 H new ATOM 0 HO3' U B 523 -7.496 3.155 -10.383 1.00 0.00 H new ATOM 0 H1' U B 523 -5.097 6.180 -7.524 1.00 0.00 H new ATOM 0 H3 U B 523 -7.103 8.009 -4.055 1.00 0.00 H new ATOM 0 H5 U B 523 -9.918 5.230 -5.532 1.00 0.00 H new ATOM 0 H6 U B 523 -8.458 4.896 -7.416 1.00 0.00 H new TER 1105 U B 523 HETATM 1106 ZN ZN A 57 -14.002 -0.390 -23.048 1.00 0.00 ZN