USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=17 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 60:sc= 0.369 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 8 LYS NZ :NH3+ 152:sc= -0.0799 (180deg=-0.485) USER MOD Single : A 9 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.4!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.777 K(o=-0.78,f=-0.19) 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+ 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+ -114:sc= 0.988 (180deg=-1.52!) USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0.354 (180deg=-0.000208) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 517 U O2' : rot -66:sc= 0.602 USER MOD Single : B 518 U O2' : rot -25:sc= 0.528 USER MOD Single : B 519 U O2' : rot -32:sc= -1.03 USER MOD Single : B 520 U O2' : rot -12:sc= 0.26 USER MOD Single : B 521 G O2' : rot -17:sc= 1.1 USER MOD Single : B 522 C O2' : rot -13:sc= 0.371 USER MOD Single : B 523 U O2' : rot -29:sc= 0.418 USER MOD Single : B 523 U O3' : rot 180:sc= 0.319 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.414 -4.361 -8.914 1.00 0.00 N ATOM 2 CA ALA A 1 6.747 -3.904 -9.265 1.00 0.00 C ATOM 3 C ALA A 1 7.315 -4.799 -10.369 1.00 0.00 C ATOM 4 O ALA A 1 7.496 -5.999 -10.167 1.00 0.00 O ATOM 5 CB ALA A 1 7.628 -3.889 -8.015 1.00 0.00 C ATOM 0 H1 ALA A 1 5.025 -3.755 -8.164 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.799 -4.313 -9.751 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.462 -5.343 -8.575 1.00 0.00 H new ATOM 0 HA ALA A 1 6.713 -2.885 -9.652 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.628 -3.546 -8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.197 -3.215 -7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.687 -4.895 -7.600 1.00 0.00 H new ATOM 11 N THR A 2 7.580 -4.182 -11.510 1.00 0.00 N ATOM 12 CA THR A 2 8.123 -4.908 -12.645 1.00 0.00 C ATOM 13 C THR A 2 9.511 -4.374 -13.006 1.00 0.00 C ATOM 14 O THR A 2 9.858 -3.249 -12.651 1.00 0.00 O ATOM 15 CB THR A 2 7.117 -4.812 -13.794 1.00 0.00 C ATOM 16 OG1 THR A 2 7.076 -3.422 -14.104 1.00 0.00 O ATOM 17 CG2 THR A 2 5.690 -5.138 -13.351 1.00 0.00 C ATOM 0 H THR A 2 7.429 -3.187 -11.673 1.00 0.00 H new ATOM 0 HA THR A 2 8.267 -5.962 -12.407 1.00 0.00 H new ATOM 0 HB THR A 2 7.413 -5.492 -14.593 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.448 -3.270 -14.841 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.016 -5.055 -14.204 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.654 -6.154 -12.958 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.381 -4.438 -12.575 1.00 0.00 H new ATOM 25 N VAL A 3 10.266 -5.206 -13.707 1.00 0.00 N ATOM 26 CA VAL A 3 11.608 -4.831 -14.120 1.00 0.00 C ATOM 27 C VAL A 3 11.544 -4.145 -15.486 1.00 0.00 C ATOM 28 O VAL A 3 11.471 -4.812 -16.517 1.00 0.00 O ATOM 29 CB VAL A 3 12.521 -6.059 -14.110 1.00 0.00 C ATOM 30 CG1 VAL A 3 13.881 -5.736 -14.732 1.00 0.00 C ATOM 31 CG2 VAL A 3 12.683 -6.610 -12.692 1.00 0.00 C ATOM 0 H VAL A 3 9.974 -6.139 -14.000 1.00 0.00 H new ATOM 0 HA VAL A 3 12.038 -4.117 -13.418 1.00 0.00 H new ATOM 0 HB VAL A 3 12.050 -6.832 -14.718 1.00 0.00 H new ATOM 0 HG11 VAL A 3 14.511 -6.626 -14.712 1.00 0.00 H new ATOM 0 HG12 VAL A 3 13.742 -5.413 -15.764 1.00 0.00 H new ATOM 0 HG13 VAL A 3 14.361 -4.939 -14.164 1.00 0.00 H new ATOM 0 HG21 VAL A 3 13.336 -7.482 -12.713 1.00 0.00 H new ATOM 0 HG22 VAL A 3 13.121 -5.844 -12.052 1.00 0.00 H new ATOM 0 HG23 VAL A 3 11.707 -6.897 -12.299 1.00 0.00 H new ATOM 41 N VAL A 4 11.573 -2.821 -15.450 1.00 0.00 N ATOM 42 CA VAL A 4 11.519 -2.037 -16.672 1.00 0.00 C ATOM 43 C VAL A 4 10.511 -2.671 -17.634 1.00 0.00 C ATOM 44 O VAL A 4 10.880 -3.112 -18.722 1.00 0.00 O ATOM 45 CB VAL A 4 12.919 -1.907 -17.273 1.00 0.00 C ATOM 46 CG1 VAL A 4 13.826 -1.062 -16.375 1.00 0.00 C ATOM 47 CG2 VAL A 4 13.535 -3.284 -17.531 1.00 0.00 C ATOM 0 H VAL A 4 11.633 -2.271 -14.593 1.00 0.00 H new ATOM 0 HA VAL A 4 11.176 -1.024 -16.462 1.00 0.00 H new ATOM 0 HB VAL A 4 12.825 -1.396 -18.231 1.00 0.00 H new ATOM 0 HG11 VAL A 4 14.815 -0.986 -16.826 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.400 -0.065 -16.263 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.909 -1.533 -15.396 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.530 -3.163 -17.958 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.608 -3.832 -16.592 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.906 -3.839 -18.227 1.00 0.00 H new ATOM 57 N SER A 5 9.261 -2.695 -17.199 1.00 0.00 N ATOM 58 CA SER A 5 8.198 -3.266 -18.009 1.00 0.00 C ATOM 59 C SER A 5 6.965 -2.362 -17.968 1.00 0.00 C ATOM 60 O SER A 5 6.864 -1.481 -17.115 1.00 0.00 O ATOM 61 CB SER A 5 7.839 -4.675 -17.531 1.00 0.00 C ATOM 62 OG SER A 5 8.854 -5.623 -17.852 1.00 0.00 O ATOM 0 H SER A 5 8.960 -2.328 -16.296 1.00 0.00 H new ATOM 0 HA SER A 5 8.553 -3.339 -19.037 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.682 -4.663 -16.452 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.898 -4.983 -17.986 1.00 0.00 H new ATOM 0 HG SER A 5 9.695 -5.360 -17.423 1.00 0.00 H new ATOM 68 N GLY A 6 6.056 -2.610 -18.901 1.00 0.00 N ATOM 69 CA GLY A 6 4.834 -1.830 -18.982 1.00 0.00 C ATOM 70 C GLY A 6 4.290 -1.809 -20.412 1.00 0.00 C ATOM 71 O GLY A 6 3.908 -2.849 -20.949 1.00 0.00 O ATOM 0 H GLY A 6 6.143 -3.341 -19.607 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.085 -2.250 -18.310 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.026 -0.811 -18.647 1.00 0.00 H new ATOM 75 N GLN A 7 4.273 -0.617 -20.988 1.00 0.00 N ATOM 76 CA GLN A 7 3.782 -0.448 -22.345 1.00 0.00 C ATOM 77 C GLN A 7 4.935 -0.562 -23.344 1.00 0.00 C ATOM 78 O GLN A 7 6.077 -0.238 -23.020 1.00 0.00 O ATOM 79 CB GLN A 7 3.050 0.886 -22.502 1.00 0.00 C ATOM 80 CG GLN A 7 1.681 0.687 -23.156 1.00 0.00 C ATOM 81 CD GLN A 7 0.624 0.318 -22.114 1.00 0.00 C ATOM 82 OE1 GLN A 7 0.898 -0.324 -21.113 1.00 0.00 O ATOM 83 NE2 GLN A 7 -0.598 0.758 -22.403 1.00 0.00 N ATOM 0 H GLN A 7 4.592 0.242 -20.540 1.00 0.00 H new ATOM 0 HA GLN A 7 3.066 -1.243 -22.553 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.926 1.354 -21.525 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.651 1.565 -23.107 1.00 0.00 H new ATOM 0 HG2 GLN A 7 1.385 1.600 -23.672 1.00 0.00 H new ATOM 0 HG3 GLN A 7 1.744 -0.099 -23.909 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.759 1.290 -23.258 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.373 0.563 -21.769 1.00 0.00 H new ATOM 92 N LYS A 8 4.597 -1.021 -24.540 1.00 0.00 N ATOM 93 CA LYS A 8 5.590 -1.180 -25.589 1.00 0.00 C ATOM 94 C LYS A 8 6.121 0.196 -25.997 1.00 0.00 C ATOM 95 O LYS A 8 7.299 0.492 -25.805 1.00 0.00 O ATOM 96 CB LYS A 8 5.014 -1.988 -26.754 1.00 0.00 C ATOM 97 CG LYS A 8 5.518 -3.432 -26.723 1.00 0.00 C ATOM 98 CD LYS A 8 4.364 -4.419 -26.905 1.00 0.00 C ATOM 99 CE LYS A 8 4.366 -5.010 -28.317 1.00 0.00 C ATOM 100 NZ LYS A 8 5.575 -5.838 -28.529 1.00 0.00 N ATOM 0 H LYS A 8 3.649 -1.288 -24.806 1.00 0.00 H new ATOM 0 HA LYS A 8 6.441 -1.754 -25.223 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.925 -1.978 -26.705 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.294 -1.522 -27.698 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.256 -3.580 -27.511 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.021 -3.625 -25.775 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.447 -5.221 -26.171 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.416 -3.914 -26.719 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.472 -5.616 -28.466 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.333 -4.208 -29.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.370 -6.578 -29.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.350 -5.238 -28.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.855 -6.280 -27.630 1.00 0.00 H new ATOM 114 N GLN A 9 5.226 0.999 -26.552 1.00 0.00 N ATOM 115 CA GLN A 9 5.588 2.336 -26.988 1.00 0.00 C ATOM 116 C GLN A 9 4.359 3.071 -27.526 1.00 0.00 C ATOM 117 O GLN A 9 4.044 2.977 -28.712 1.00 0.00 O ATOM 118 CB GLN A 9 6.700 2.287 -28.038 1.00 0.00 C ATOM 119 CG GLN A 9 7.231 3.690 -28.341 1.00 0.00 C ATOM 120 CD GLN A 9 7.631 3.820 -29.812 1.00 0.00 C ATOM 121 OE1 GLN A 9 7.507 2.896 -30.599 1.00 0.00 O ATOM 122 NE2 GLN A 9 8.114 5.014 -30.138 1.00 0.00 N ATOM 0 H GLN A 9 4.250 0.749 -26.710 1.00 0.00 H new ATOM 0 HA GLN A 9 5.968 2.887 -26.128 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.514 1.655 -27.682 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.321 1.832 -28.953 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.468 4.431 -28.101 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.092 3.902 -27.706 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.191 5.744 -29.430 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.408 5.201 -31.097 1.00 0.00 H new ATOM 131 N ASP A 10 3.697 3.787 -26.629 1.00 0.00 N ATOM 132 CA ASP A 10 2.509 4.537 -26.998 1.00 0.00 C ATOM 133 C ASP A 10 2.392 5.772 -26.103 1.00 0.00 C ATOM 134 O ASP A 10 2.347 5.654 -24.878 1.00 0.00 O ATOM 135 CB ASP A 10 1.245 3.696 -26.810 1.00 0.00 C ATOM 136 CG ASP A 10 -0.062 4.489 -26.790 1.00 0.00 C ATOM 137 OD1 ASP A 10 -0.340 5.100 -25.735 1.00 0.00 O ATOM 138 OD2 ASP A 10 -0.756 4.468 -27.830 1.00 0.00 O ATOM 0 H ASP A 10 3.961 3.863 -25.647 1.00 0.00 H new ATOM 0 HA ASP A 10 2.602 4.819 -28.047 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.194 2.960 -27.613 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.331 3.142 -25.875 1.00 0.00 H new ATOM 143 N ARG A 11 2.347 6.929 -26.746 1.00 0.00 N ATOM 144 CA ARG A 11 2.236 8.185 -26.023 1.00 0.00 C ATOM 145 C ARG A 11 1.544 9.239 -26.891 1.00 0.00 C ATOM 146 O ARG A 11 2.182 9.868 -27.735 1.00 0.00 O ATOM 147 CB ARG A 11 3.613 8.702 -25.604 1.00 0.00 C ATOM 148 CG ARG A 11 3.764 8.693 -24.082 1.00 0.00 C ATOM 149 CD ARG A 11 3.722 10.115 -23.518 1.00 0.00 C ATOM 150 NE ARG A 11 5.063 10.503 -23.025 1.00 0.00 N ATOM 151 CZ ARG A 11 5.629 10.007 -21.917 1.00 0.00 C ATOM 152 NH1 ARG A 11 4.974 9.101 -21.178 1.00 0.00 N ATOM 153 NH2 ARG A 11 6.849 10.417 -21.547 1.00 0.00 N ATOM 0 H ARG A 11 2.385 7.024 -27.761 1.00 0.00 H new ATOM 0 HA ARG A 11 1.642 8.001 -25.128 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.390 8.083 -26.053 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.755 9.715 -25.981 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.966 8.098 -23.637 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.706 8.218 -23.809 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.393 10.812 -24.289 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.996 10.172 -22.707 1.00 0.00 H new ATOM 0 HE ARG A 11 5.589 11.192 -23.563 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.044 8.789 -21.459 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.405 8.723 -20.334 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.347 11.107 -22.109 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.280 10.039 -20.703 1.00 0.00 H new ATOM 167 N GLN A 12 0.250 9.397 -26.654 1.00 0.00 N ATOM 168 CA GLN A 12 -0.533 10.364 -27.405 1.00 0.00 C ATOM 169 C GLN A 12 -0.367 10.131 -28.907 1.00 0.00 C ATOM 170 O GLN A 12 0.566 10.648 -29.519 1.00 0.00 O ATOM 171 CB GLN A 12 -0.149 11.795 -27.024 1.00 0.00 C ATOM 172 CG GLN A 12 -1.294 12.767 -27.317 1.00 0.00 C ATOM 173 CD GLN A 12 -0.902 14.200 -26.954 1.00 0.00 C ATOM 174 OE1 GLN A 12 -0.103 14.840 -27.617 1.00 0.00 O ATOM 175 NE2 GLN A 12 -1.509 14.668 -25.866 1.00 0.00 N ATOM 0 H GLN A 12 -0.275 8.873 -25.954 1.00 0.00 H new ATOM 0 HA GLN A 12 -1.584 10.226 -27.152 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.106 11.837 -25.965 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.740 12.097 -27.578 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.559 12.715 -28.373 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.179 12.474 -26.752 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.168 14.079 -25.357 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.315 15.615 -25.542 1.00 0.00 H new ATOM 184 N GLY A 13 -1.286 9.353 -29.459 1.00 0.00 N ATOM 185 CA GLY A 13 -1.253 9.046 -30.878 1.00 0.00 C ATOM 186 C GLY A 13 -2.658 9.085 -31.482 1.00 0.00 C ATOM 187 O GLY A 13 -3.260 8.041 -31.733 1.00 0.00 O ATOM 0 H GLY A 13 -2.059 8.926 -28.948 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.612 9.761 -31.393 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.816 8.059 -31.030 1.00 0.00 H new ATOM 191 N GLY A 14 -3.142 10.300 -31.697 1.00 0.00 N ATOM 192 CA GLY A 14 -4.465 10.489 -32.265 1.00 0.00 C ATOM 193 C GLY A 14 -4.980 11.904 -31.997 1.00 0.00 C ATOM 194 O GLY A 14 -4.468 12.599 -31.120 1.00 0.00 O ATOM 0 H GLY A 14 -2.641 11.163 -31.488 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.433 10.307 -33.339 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.155 9.760 -31.839 1.00 0.00 H new ATOM 198 N GLU A 15 -5.988 12.289 -32.766 1.00 0.00 N ATOM 199 CA GLU A 15 -6.578 13.609 -32.623 1.00 0.00 C ATOM 200 C GLU A 15 -8.101 13.501 -32.522 1.00 0.00 C ATOM 201 O GLU A 15 -8.779 13.277 -33.522 1.00 0.00 O ATOM 202 CB GLU A 15 -6.169 14.521 -33.780 1.00 0.00 C ATOM 203 CG GLU A 15 -5.767 15.907 -33.270 1.00 0.00 C ATOM 204 CD GLU A 15 -4.244 16.058 -33.236 1.00 0.00 C ATOM 205 OE1 GLU A 15 -3.610 15.626 -34.222 1.00 0.00 O ATOM 206 OE2 GLU A 15 -3.751 16.604 -32.226 1.00 0.00 O ATOM 0 H GLU A 15 -6.411 11.709 -33.491 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.203 14.055 -31.702 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.337 14.074 -34.323 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.996 14.614 -34.484 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.198 16.674 -33.913 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.174 16.063 -32.271 1.00 0.00 H new ATOM 213 N ARG A 16 -8.594 13.667 -31.302 1.00 0.00 N ATOM 214 CA ARG A 16 -10.024 13.591 -31.058 1.00 0.00 C ATOM 215 C ARG A 16 -10.334 13.959 -29.605 1.00 0.00 C ATOM 216 O ARG A 16 -10.171 13.139 -28.705 1.00 0.00 O ATOM 217 CB ARG A 16 -10.559 12.186 -31.346 1.00 0.00 C ATOM 218 CG ARG A 16 -11.341 12.157 -32.660 1.00 0.00 C ATOM 219 CD ARG A 16 -11.022 10.892 -33.460 1.00 0.00 C ATOM 220 NE ARG A 16 -11.908 10.804 -34.643 1.00 0.00 N ATOM 221 CZ ARG A 16 -11.627 10.086 -35.740 1.00 0.00 C ATOM 222 NH1 ARG A 16 -10.484 9.392 -35.811 1.00 0.00 N ATOM 223 NH2 ARG A 16 -12.489 10.065 -36.764 1.00 0.00 N ATOM 0 H ARG A 16 -8.029 13.854 -30.474 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.513 14.298 -31.729 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.730 11.480 -31.396 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.203 11.863 -30.528 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.410 12.200 -32.452 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.096 13.038 -33.253 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.979 10.905 -33.777 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.153 10.011 -32.831 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.787 11.322 -34.622 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.827 9.410 -35.031 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.270 8.846 -36.645 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.359 10.595 -36.709 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.276 9.519 -37.599 1.00 0.00 H new ATOM 237 N ARG A 17 -10.776 15.195 -29.424 1.00 0.00 N ATOM 238 CA ARG A 17 -11.110 15.682 -28.096 1.00 0.00 C ATOM 239 C ARG A 17 -12.497 15.186 -27.682 1.00 0.00 C ATOM 240 O ARG A 17 -13.502 15.836 -27.962 1.00 0.00 O ATOM 241 CB ARG A 17 -11.089 17.212 -28.049 1.00 0.00 C ATOM 242 CG ARG A 17 -10.730 17.712 -26.649 1.00 0.00 C ATOM 243 CD ARG A 17 -9.541 18.673 -26.698 1.00 0.00 C ATOM 244 NE ARG A 17 -8.361 18.054 -26.053 1.00 0.00 N ATOM 245 CZ ARG A 17 -7.499 17.244 -26.683 1.00 0.00 C ATOM 246 NH1 ARG A 17 -7.679 16.951 -27.978 1.00 0.00 N ATOM 247 NH2 ARG A 17 -6.457 16.727 -26.017 1.00 0.00 N ATOM 0 H ARG A 17 -10.911 15.873 -30.174 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.361 15.298 -27.404 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.366 17.592 -28.771 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.065 17.602 -28.339 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.590 18.215 -26.207 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.491 16.865 -26.007 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.309 18.925 -27.733 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.795 19.605 -26.192 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.194 18.257 -25.067 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.472 17.344 -28.484 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.023 16.335 -28.457 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.320 16.950 -25.031 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.801 16.110 -26.496 1.00 0.00 H new ATOM 261 N ARG A 18 -12.506 14.037 -27.022 1.00 0.00 N ATOM 262 CA ARG A 18 -13.753 13.445 -26.565 1.00 0.00 C ATOM 263 C ARG A 18 -14.842 13.620 -27.627 1.00 0.00 C ATOM 264 O ARG A 18 -16.024 13.705 -27.298 1.00 0.00 O ATOM 265 CB ARG A 18 -14.219 14.085 -25.256 1.00 0.00 C ATOM 266 CG ARG A 18 -13.270 13.736 -24.107 1.00 0.00 C ATOM 267 CD ARG A 18 -12.968 14.970 -23.253 1.00 0.00 C ATOM 268 NE ARG A 18 -11.685 15.575 -23.673 1.00 0.00 N ATOM 269 CZ ARG A 18 -11.103 16.610 -23.052 1.00 0.00 C ATOM 270 NH1 ARG A 18 -11.686 17.160 -21.978 1.00 0.00 N ATOM 271 NH2 ARG A 18 -9.938 17.094 -23.504 1.00 0.00 N ATOM 0 H ARG A 18 -11.670 13.500 -26.793 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.574 12.384 -26.393 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.270 15.167 -25.374 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.226 13.742 -25.018 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.715 12.959 -23.486 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.341 13.330 -24.508 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.773 15.698 -23.354 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.921 14.691 -22.200 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.214 15.179 -24.487 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.572 16.791 -21.634 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.243 17.948 -21.505 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.494 16.675 -24.321 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.495 17.882 -23.031 1.00 0.00 H new ATOM 285 N SER A 19 -14.404 13.667 -28.876 1.00 0.00 N ATOM 286 CA SER A 19 -15.326 13.829 -29.986 1.00 0.00 C ATOM 287 C SER A 19 -16.600 13.021 -29.731 1.00 0.00 C ATOM 288 O SER A 19 -17.706 13.554 -29.822 1.00 0.00 O ATOM 289 CB SER A 19 -14.681 13.399 -31.305 1.00 0.00 C ATOM 290 OG SER A 19 -14.804 14.401 -32.312 1.00 0.00 O ATOM 0 H SER A 19 -13.422 13.596 -29.144 1.00 0.00 H new ATOM 0 HA SER A 19 -15.583 14.885 -30.065 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.626 13.180 -31.138 1.00 0.00 H new ATOM 0 HB3 SER A 19 -15.147 12.477 -31.653 1.00 0.00 H new ATOM 0 HG SER A 19 -14.378 14.089 -33.138 1.00 0.00 H new ATOM 296 N GLN A 20 -16.403 11.750 -29.415 1.00 0.00 N ATOM 297 CA GLN A 20 -17.523 10.864 -29.146 1.00 0.00 C ATOM 298 C GLN A 20 -17.308 10.124 -27.824 1.00 0.00 C ATOM 299 O GLN A 20 -17.538 8.919 -27.738 1.00 0.00 O ATOM 300 CB GLN A 20 -17.732 9.878 -30.298 1.00 0.00 C ATOM 301 CG GLN A 20 -19.196 9.860 -30.744 1.00 0.00 C ATOM 302 CD GLN A 20 -19.388 8.948 -31.957 1.00 0.00 C ATOM 303 OE1 GLN A 20 -19.690 7.771 -31.839 1.00 0.00 O ATOM 304 NE2 GLN A 20 -19.194 9.553 -33.125 1.00 0.00 N ATOM 0 H GLN A 20 -15.485 11.312 -29.339 1.00 0.00 H new ATOM 0 HA GLN A 20 -18.426 11.468 -29.060 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.095 10.154 -31.138 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.431 8.878 -29.985 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.826 9.517 -29.923 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -19.517 10.872 -30.991 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.943 10.541 -33.152 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.296 9.029 -33.994 1.00 0.00 H new ATOM 313 N LEU A 21 -16.868 10.877 -26.826 1.00 0.00 N ATOM 314 CA LEU A 21 -16.619 10.307 -25.512 1.00 0.00 C ATOM 315 C LEU A 21 -17.725 10.748 -24.552 1.00 0.00 C ATOM 316 O LEU A 21 -17.569 11.732 -23.830 1.00 0.00 O ATOM 317 CB LEU A 21 -15.210 10.661 -25.033 1.00 0.00 C ATOM 318 CG LEU A 21 -14.782 10.048 -23.697 1.00 0.00 C ATOM 319 CD1 LEU A 21 -14.991 11.036 -22.549 1.00 0.00 C ATOM 320 CD2 LEU A 21 -15.500 8.720 -23.449 1.00 0.00 C ATOM 0 H LEU A 21 -16.678 11.876 -26.901 1.00 0.00 H new ATOM 0 HA LEU A 21 -16.651 9.218 -25.556 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.499 10.349 -25.798 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.137 11.746 -24.953 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.715 9.833 -23.746 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.679 10.576 -21.611 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.398 11.933 -22.728 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.046 11.305 -22.488 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.178 8.305 -22.494 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.577 8.887 -23.428 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.257 8.020 -24.249 1.00 0.00 H new ATOM 332 N ASP A 22 -18.818 9.999 -24.574 1.00 0.00 N ATOM 333 CA ASP A 22 -19.949 10.302 -23.714 1.00 0.00 C ATOM 334 C ASP A 22 -19.559 10.047 -22.256 1.00 0.00 C ATOM 335 O ASP A 22 -18.571 9.367 -21.984 1.00 0.00 O ATOM 336 CB ASP A 22 -21.147 9.409 -24.045 1.00 0.00 C ATOM 337 CG ASP A 22 -22.496 10.129 -24.098 1.00 0.00 C ATOM 338 OD1 ASP A 22 -22.859 10.730 -23.064 1.00 0.00 O ATOM 339 OD2 ASP A 22 -23.133 10.062 -25.171 1.00 0.00 O ATOM 0 H ASP A 22 -18.944 9.184 -25.174 1.00 0.00 H new ATOM 0 HA ASP A 22 -20.222 11.346 -23.871 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.969 8.931 -25.008 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -21.205 8.615 -23.301 1.00 0.00 H new ATOM 344 N ARG A 23 -20.355 10.608 -21.357 1.00 0.00 N ATOM 345 CA ARG A 23 -20.106 10.450 -19.935 1.00 0.00 C ATOM 346 C ARG A 23 -20.261 8.983 -19.527 1.00 0.00 C ATOM 347 O ARG A 23 -19.907 8.604 -18.412 1.00 0.00 O ATOM 348 CB ARG A 23 -21.067 11.307 -19.109 1.00 0.00 C ATOM 349 CG ARG A 23 -20.701 11.264 -17.624 1.00 0.00 C ATOM 350 CD ARG A 23 -19.268 11.752 -17.398 1.00 0.00 C ATOM 351 NE ARG A 23 -19.154 12.390 -16.067 1.00 0.00 N ATOM 352 CZ ARG A 23 -17.993 12.605 -15.435 1.00 0.00 C ATOM 353 NH1 ARG A 23 -16.839 12.235 -16.007 1.00 0.00 N ATOM 354 NH2 ARG A 23 -17.985 13.190 -14.230 1.00 0.00 N ATOM 0 H ARG A 23 -21.173 11.173 -21.587 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.085 10.778 -19.739 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -21.039 12.337 -19.465 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -22.088 10.950 -19.246 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -21.394 11.885 -17.057 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -20.806 10.246 -17.249 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.574 10.914 -17.469 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.990 12.463 -18.176 1.00 0.00 H new ATOM 0 HE ARG A 23 -20.013 12.684 -15.602 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.844 11.789 -16.924 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.955 12.399 -15.525 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.863 13.472 -13.794 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.101 13.354 -13.748 1.00 0.00 H new ATOM 368 N ASP A 24 -20.791 8.199 -20.455 1.00 0.00 N ATOM 369 CA ASP A 24 -20.999 6.782 -20.206 1.00 0.00 C ATOM 370 C ASP A 24 -20.451 5.976 -21.386 1.00 0.00 C ATOM 371 O ASP A 24 -20.946 4.890 -21.682 1.00 0.00 O ATOM 372 CB ASP A 24 -22.486 6.460 -20.062 1.00 0.00 C ATOM 373 CG ASP A 24 -23.048 6.610 -18.647 1.00 0.00 C ATOM 374 OD1 ASP A 24 -22.923 7.729 -18.103 1.00 0.00 O ATOM 375 OD2 ASP A 24 -23.588 5.603 -18.140 1.00 0.00 O ATOM 0 H ASP A 24 -21.082 8.518 -21.379 1.00 0.00 H new ATOM 0 HA ASP A 24 -20.484 6.523 -19.281 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.049 7.111 -20.731 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -22.654 5.436 -20.397 1.00 0.00 H new ATOM 380 N GLN A 25 -19.439 6.540 -22.027 1.00 0.00 N ATOM 381 CA GLN A 25 -18.819 5.888 -23.168 1.00 0.00 C ATOM 382 C GLN A 25 -17.347 5.591 -22.876 1.00 0.00 C ATOM 383 O GLN A 25 -16.582 6.496 -22.547 1.00 0.00 O ATOM 384 CB GLN A 25 -18.967 6.737 -24.432 1.00 0.00 C ATOM 385 CG GLN A 25 -19.637 5.940 -25.553 1.00 0.00 C ATOM 386 CD GLN A 25 -19.005 6.264 -26.909 1.00 0.00 C ATOM 387 OE1 GLN A 25 -18.027 5.666 -27.327 1.00 0.00 O ATOM 388 NE2 GLN A 25 -19.617 7.241 -27.572 1.00 0.00 N ATOM 0 H GLN A 25 -19.032 7.442 -21.778 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.332 4.942 -23.343 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.557 7.626 -24.210 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.986 7.080 -24.761 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.545 4.873 -25.351 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -20.702 6.169 -25.580 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.432 7.701 -27.165 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -19.272 7.530 -28.487 1.00 0.00 H new ATOM 397 N CYS A 26 -16.996 4.320 -23.006 1.00 0.00 N ATOM 398 CA CYS A 26 -15.629 3.893 -22.760 1.00 0.00 C ATOM 399 C CYS A 26 -14.709 4.648 -23.722 1.00 0.00 C ATOM 400 O CYS A 26 -14.983 4.722 -24.919 1.00 0.00 O ATOM 401 CB CYS A 26 -15.477 2.377 -22.896 1.00 0.00 C ATOM 402 SG CYS A 26 -13.723 1.901 -22.674 1.00 0.00 S ATOM 0 H CYS A 26 -17.634 3.572 -23.278 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.351 4.129 -21.733 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -16.096 1.873 -22.154 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -15.829 2.054 -23.876 1.00 0.00 H new ATOM 407 N ALA A 27 -13.636 5.187 -23.164 1.00 0.00 N ATOM 408 CA ALA A 27 -12.674 5.933 -23.958 1.00 0.00 C ATOM 409 C ALA A 27 -11.440 5.063 -24.206 1.00 0.00 C ATOM 410 O ALA A 27 -10.315 5.562 -24.212 1.00 0.00 O ATOM 411 CB ALA A 27 -12.331 7.243 -23.247 1.00 0.00 C ATOM 0 H ALA A 27 -13.411 5.122 -22.171 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.096 6.191 -24.929 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.610 7.802 -23.843 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.236 7.837 -23.122 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.902 7.025 -22.269 1.00 0.00 H new ATOM 417 N TYR A 28 -11.692 3.778 -24.404 1.00 0.00 N ATOM 418 CA TYR A 28 -10.615 2.833 -24.652 1.00 0.00 C ATOM 419 C TYR A 28 -10.935 1.938 -25.850 1.00 0.00 C ATOM 420 O TYR A 28 -10.119 1.796 -26.759 1.00 0.00 O ATOM 421 CB TYR A 28 -10.517 1.966 -23.395 1.00 0.00 C ATOM 422 CG TYR A 28 -9.117 1.407 -23.133 1.00 0.00 C ATOM 423 CD1 TYR A 28 -8.065 2.265 -22.891 1.00 0.00 C ATOM 424 CD2 TYR A 28 -8.909 0.042 -23.139 1.00 0.00 C ATOM 425 CE1 TYR A 28 -6.748 1.738 -22.644 1.00 0.00 C ATOM 426 CE2 TYR A 28 -7.591 -0.485 -22.892 1.00 0.00 C ATOM 427 CZ TYR A 28 -6.576 0.388 -22.658 1.00 0.00 C ATOM 428 OH TYR A 28 -5.332 -0.109 -22.425 1.00 0.00 O ATOM 0 H TYR A 28 -12.626 3.368 -24.398 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.686 3.359 -24.871 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.828 2.557 -22.533 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.218 1.136 -23.483 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.229 3.332 -22.887 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.733 -0.630 -23.329 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.916 2.399 -22.452 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.414 -1.550 -22.893 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.358 -1.088 -22.464 1.00 0.00 H new ATOM 438 N CYS A 29 -12.127 1.358 -25.814 1.00 0.00 N ATOM 439 CA CYS A 29 -12.565 0.482 -26.886 1.00 0.00 C ATOM 440 C CYS A 29 -13.651 1.204 -27.684 1.00 0.00 C ATOM 441 O CYS A 29 -13.882 0.889 -28.851 1.00 0.00 O ATOM 442 CB CYS A 29 -13.052 -0.867 -26.351 1.00 0.00 C ATOM 443 SG CYS A 29 -14.504 -0.620 -25.264 1.00 0.00 S ATOM 0 H CYS A 29 -12.802 1.478 -25.059 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.723 0.257 -27.541 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.315 -1.523 -27.181 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -12.252 -1.359 -25.797 1.00 0.00 H new ATOM 448 N LYS A 30 -14.289 2.159 -27.024 1.00 0.00 N ATOM 449 CA LYS A 30 -15.345 2.931 -27.659 1.00 0.00 C ATOM 450 C LYS A 30 -16.691 2.244 -27.410 1.00 0.00 C ATOM 451 O LYS A 30 -17.621 2.389 -28.201 1.00 0.00 O ATOM 452 CB LYS A 30 -15.033 3.150 -29.140 1.00 0.00 C ATOM 453 CG LYS A 30 -15.477 4.543 -29.593 1.00 0.00 C ATOM 454 CD LYS A 30 -14.379 5.231 -30.405 1.00 0.00 C ATOM 455 CE LYS A 30 -14.180 6.677 -29.943 1.00 0.00 C ATOM 456 NZ LYS A 30 -13.923 7.561 -31.102 1.00 0.00 N ATOM 0 H LYS A 30 -14.096 2.416 -26.056 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.406 3.927 -27.220 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.963 3.032 -29.311 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.538 2.391 -29.738 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.383 4.462 -30.194 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.725 5.150 -28.723 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.444 4.680 -30.300 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.641 5.216 -31.463 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.065 7.019 -29.407 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.344 6.730 -29.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.790 8.538 -30.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.065 7.244 -31.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.733 7.523 -31.754 1.00 0.00 H new ATOM 470 N GLU A 31 -16.751 1.513 -26.306 1.00 0.00 N ATOM 471 CA GLU A 31 -17.966 0.805 -25.943 1.00 0.00 C ATOM 472 C GLU A 31 -18.727 1.575 -24.862 1.00 0.00 C ATOM 473 O GLU A 31 -18.147 1.966 -23.850 1.00 0.00 O ATOM 474 CB GLU A 31 -17.654 -0.621 -25.484 1.00 0.00 C ATOM 475 CG GLU A 31 -17.026 -1.437 -26.615 1.00 0.00 C ATOM 476 CD GLU A 31 -18.102 -2.112 -27.467 1.00 0.00 C ATOM 477 OE1 GLU A 31 -19.064 -1.403 -27.834 1.00 0.00 O ATOM 478 OE2 GLU A 31 -17.939 -3.323 -27.733 1.00 0.00 O ATOM 0 H GLU A 31 -15.977 1.396 -25.651 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.600 0.736 -26.827 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.975 -0.592 -24.632 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -18.570 -1.106 -25.146 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.416 -0.787 -27.242 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.361 -2.193 -26.197 1.00 0.00 H new ATOM 485 N LYS A 32 -20.013 1.770 -25.112 1.00 0.00 N ATOM 486 CA LYS A 32 -20.858 2.487 -24.173 1.00 0.00 C ATOM 487 C LYS A 32 -21.439 1.498 -23.160 1.00 0.00 C ATOM 488 O LYS A 32 -21.892 0.418 -23.532 1.00 0.00 O ATOM 489 CB LYS A 32 -21.919 3.299 -24.918 1.00 0.00 C ATOM 490 CG LYS A 32 -23.035 2.392 -25.444 1.00 0.00 C ATOM 491 CD LYS A 32 -23.441 2.789 -26.864 1.00 0.00 C ATOM 492 CE LYS A 32 -24.879 3.308 -26.898 1.00 0.00 C ATOM 493 NZ LYS A 32 -24.925 4.735 -26.508 1.00 0.00 N ATOM 0 H LYS A 32 -20.491 1.444 -25.952 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.272 3.214 -23.611 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.341 4.051 -24.251 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -21.457 3.832 -25.749 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -22.700 1.355 -25.434 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.900 2.454 -24.784 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -22.764 3.557 -27.238 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -23.345 1.929 -27.527 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -25.293 3.185 -27.899 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -25.500 2.720 -26.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -25.909 5.071 -26.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -24.550 4.844 -25.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -24.349 5.294 -27.169 1.00 0.00 H new ATOM 507 N GLY A 33 -21.406 1.904 -21.899 1.00 0.00 N ATOM 508 CA GLY A 33 -21.924 1.069 -20.830 1.00 0.00 C ATOM 509 C GLY A 33 -20.907 0.939 -19.694 1.00 0.00 C ATOM 510 O GLY A 33 -21.284 0.846 -18.527 1.00 0.00 O ATOM 0 H GLY A 33 -21.028 2.801 -21.594 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.850 1.496 -20.446 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.167 0.081 -21.221 1.00 0.00 H new ATOM 514 N HIS A 34 -19.638 0.936 -20.075 1.00 0.00 N ATOM 515 CA HIS A 34 -18.565 0.821 -19.103 1.00 0.00 C ATOM 516 C HIS A 34 -17.546 1.938 -19.328 1.00 0.00 C ATOM 517 O HIS A 34 -17.520 2.557 -20.391 1.00 0.00 O ATOM 518 CB HIS A 34 -17.936 -0.573 -19.153 1.00 0.00 C ATOM 519 CG HIS A 34 -17.140 -0.844 -20.407 1.00 0.00 C ATOM 520 ND1 HIS A 34 -17.637 -1.583 -21.466 1.00 0.00 N ATOM 521 CD2 HIS A 34 -15.878 -0.466 -20.761 1.00 0.00 C ATOM 522 CE1 HIS A 34 -16.708 -1.641 -22.408 1.00 0.00 C ATOM 523 NE2 HIS A 34 -15.618 -0.949 -21.969 1.00 0.00 N ATOM 0 H HIS A 34 -19.329 1.011 -21.044 1.00 0.00 H new ATOM 0 HA HIS A 34 -18.967 0.941 -18.097 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -17.285 -0.698 -18.288 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -18.726 -1.320 -19.068 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -18.562 -2.011 -21.513 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.204 0.126 -20.160 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.798 -2.148 -23.358 1.00 0.00 H new ATOM 531 N TRP A 35 -16.729 2.165 -18.309 1.00 0.00 N ATOM 532 CA TRP A 35 -15.711 3.199 -18.382 1.00 0.00 C ATOM 533 C TRP A 35 -14.393 2.537 -18.793 1.00 0.00 C ATOM 534 O TRP A 35 -14.233 1.326 -18.650 1.00 0.00 O ATOM 535 CB TRP A 35 -15.609 3.963 -17.061 1.00 0.00 C ATOM 536 CG TRP A 35 -16.511 5.196 -16.983 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.767 5.328 -17.430 1.00 0.00 C ATOM 538 CD2 TRP A 35 -16.174 6.474 -16.403 1.00 0.00 C ATOM 539 NE1 TRP A 35 -18.262 6.593 -17.182 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.262 7.311 -16.536 1.00 0.00 C ATOM 541 CE3 TRP A 35 -14.987 6.907 -15.784 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.273 8.633 -16.078 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -15.014 8.231 -15.331 1.00 0.00 C ATOM 544 CH2 TRP A 35 -16.102 9.087 -15.459 1.00 0.00 C ATOM 0 H TRP A 35 -16.752 1.650 -17.429 1.00 0.00 H new ATOM 0 HA TRP A 35 -15.974 3.946 -19.131 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -15.862 3.289 -16.243 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -14.575 4.272 -16.911 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -18.323 4.544 -17.922 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -19.190 6.937 -17.428 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.124 6.269 -15.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -18.138 9.269 -16.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -14.127 8.615 -14.848 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -16.044 10.098 -15.083 1.00 0.00 H new ATOM 555 N ALA A 36 -13.486 3.360 -19.295 1.00 0.00 N ATOM 556 CA ALA A 36 -12.188 2.870 -19.727 1.00 0.00 C ATOM 557 C ALA A 36 -11.473 2.217 -18.543 1.00 0.00 C ATOM 558 O ALA A 36 -10.760 1.228 -18.711 1.00 0.00 O ATOM 559 CB ALA A 36 -11.381 4.022 -20.331 1.00 0.00 C ATOM 0 H ALA A 36 -13.624 4.364 -19.413 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.304 2.112 -20.501 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.408 3.654 -20.655 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.917 4.432 -21.187 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.243 4.802 -19.582 1.00 0.00 H new ATOM 565 N LYS A 37 -11.690 2.794 -17.370 1.00 0.00 N ATOM 566 CA LYS A 37 -11.077 2.280 -16.158 1.00 0.00 C ATOM 567 C LYS A 37 -11.687 0.919 -15.819 1.00 0.00 C ATOM 568 O LYS A 37 -11.206 0.223 -14.927 1.00 0.00 O ATOM 569 CB LYS A 37 -11.189 3.303 -15.025 1.00 0.00 C ATOM 570 CG LYS A 37 -10.102 4.373 -15.143 1.00 0.00 C ATOM 571 CD LYS A 37 -10.365 5.532 -14.178 1.00 0.00 C ATOM 572 CE LYS A 37 -9.385 6.680 -14.421 1.00 0.00 C ATOM 573 NZ LYS A 37 -8.343 6.703 -13.370 1.00 0.00 N ATOM 0 H LYS A 37 -12.282 3.613 -17.234 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.009 2.122 -16.310 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.172 3.774 -15.051 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.103 2.797 -14.063 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.128 3.932 -14.930 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.066 4.748 -16.166 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.387 5.889 -14.303 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.273 5.182 -13.150 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.920 6.568 -15.400 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.922 7.629 -14.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.686 7.489 -13.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.791 6.832 -12.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.820 5.804 -13.380 1.00 0.00 H new ATOM 587 N ASP A 38 -12.738 0.580 -16.550 1.00 0.00 N ATOM 588 CA ASP A 38 -13.420 -0.686 -16.339 1.00 0.00 C ATOM 589 C ASP A 38 -13.567 -1.412 -17.679 1.00 0.00 C ATOM 590 O ASP A 38 -14.418 -2.288 -17.824 1.00 0.00 O ATOM 591 CB ASP A 38 -14.820 -0.469 -15.763 1.00 0.00 C ATOM 592 CG ASP A 38 -15.252 -1.490 -14.709 1.00 0.00 C ATOM 593 OD1 ASP A 38 -15.037 -2.695 -14.965 1.00 0.00 O ATOM 594 OD2 ASP A 38 -15.787 -1.044 -13.671 1.00 0.00 O ATOM 0 H ASP A 38 -13.135 1.160 -17.290 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.829 -1.274 -15.637 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.864 0.527 -15.322 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.540 -0.488 -16.581 1.00 0.00 H new ATOM 599 N CYS A 39 -12.726 -1.018 -18.623 1.00 0.00 N ATOM 600 CA CYS A 39 -12.751 -1.620 -19.946 1.00 0.00 C ATOM 601 C CYS A 39 -12.372 -3.095 -19.810 1.00 0.00 C ATOM 602 O CYS A 39 -11.387 -3.430 -19.155 1.00 0.00 O ATOM 603 CB CYS A 39 -11.831 -0.882 -20.920 1.00 0.00 C ATOM 604 SG CYS A 39 -12.081 -1.517 -22.619 1.00 0.00 S ATOM 0 H CYS A 39 -12.023 -0.290 -18.499 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.754 -1.541 -20.365 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.037 0.188 -20.889 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.791 -1.015 -20.622 1.00 0.00 H new ATOM 609 N PRO A 40 -13.197 -3.962 -20.456 1.00 0.00 N ATOM 610 CA PRO A 40 -12.959 -5.395 -20.414 1.00 0.00 C ATOM 611 C PRO A 40 -11.787 -5.783 -21.318 1.00 0.00 C ATOM 612 O PRO A 40 -11.440 -6.959 -21.420 1.00 0.00 O ATOM 613 CB PRO A 40 -14.273 -6.026 -20.843 1.00 0.00 C ATOM 614 CG PRO A 40 -15.050 -4.929 -21.553 1.00 0.00 C ATOM 615 CD PRO A 40 -14.374 -3.603 -21.241 1.00 0.00 C ATOM 0 HA PRO A 40 -12.670 -5.744 -19.422 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.101 -6.874 -21.506 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.826 -6.401 -19.982 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.065 -5.106 -22.628 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.087 -4.917 -21.218 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.095 -3.076 -22.154 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.037 -2.943 -20.682 1.00 0.00 H new ATOM 623 N LYS A 41 -11.208 -4.772 -21.949 1.00 0.00 N ATOM 624 CA LYS A 41 -10.082 -4.992 -22.840 1.00 0.00 C ATOM 625 C LYS A 41 -8.779 -4.734 -22.081 1.00 0.00 C ATOM 626 O LYS A 41 -7.713 -5.186 -22.499 1.00 0.00 O ATOM 627 CB LYS A 41 -10.231 -4.152 -24.110 1.00 0.00 C ATOM 628 CG LYS A 41 -8.999 -4.290 -25.006 1.00 0.00 C ATOM 629 CD LYS A 41 -9.076 -3.329 -26.195 1.00 0.00 C ATOM 630 CE LYS A 41 -7.851 -3.478 -27.100 1.00 0.00 C ATOM 631 NZ LYS A 41 -7.884 -4.778 -27.806 1.00 0.00 N ATOM 0 H LYS A 41 -11.498 -3.798 -21.861 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.057 -6.029 -23.173 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.120 -4.467 -24.657 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.376 -3.105 -23.843 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.099 -4.086 -24.427 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.920 -5.315 -25.367 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.982 -3.526 -26.768 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.143 -2.303 -25.834 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.826 -2.664 -27.825 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.941 -3.403 -26.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.095 -5.371 -27.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.785 -5.258 -27.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.795 -4.619 -28.830 1.00 0.00 H new ATOM 645 N LYS A 42 -8.906 -4.009 -20.981 1.00 0.00 N ATOM 646 CA LYS A 42 -7.751 -3.684 -20.160 1.00 0.00 C ATOM 647 C LYS A 42 -7.085 -4.979 -19.691 1.00 0.00 C ATOM 648 O LYS A 42 -7.642 -5.706 -18.871 1.00 0.00 O ATOM 649 CB LYS A 42 -8.152 -2.750 -19.017 1.00 0.00 C ATOM 650 CG LYS A 42 -7.873 -1.290 -19.379 1.00 0.00 C ATOM 651 CD LYS A 42 -7.902 -0.401 -18.133 1.00 0.00 C ATOM 652 CE LYS A 42 -7.357 0.995 -18.443 1.00 0.00 C ATOM 653 NZ LYS A 42 -8.255 2.036 -17.894 1.00 0.00 N ATOM 0 H LYS A 42 -9.791 -3.637 -20.638 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.010 -3.136 -20.743 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.211 -2.877 -18.793 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.602 -3.016 -18.115 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.900 -1.211 -19.864 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.616 -0.941 -20.096 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.924 -0.322 -17.762 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.309 -0.859 -17.341 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.360 1.105 -18.017 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.259 1.122 -19.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.936 2.973 -18.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.226 1.868 -18.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.235 1.999 -16.855 1.00 0.00 H new ATOM 667 N PRO A 43 -5.871 -5.234 -20.248 1.00 0.00 N ATOM 668 CA PRO A 43 -5.122 -6.429 -19.896 1.00 0.00 C ATOM 669 C PRO A 43 -4.495 -6.294 -18.506 1.00 0.00 C ATOM 670 O PRO A 43 -4.727 -7.127 -17.632 1.00 0.00 O ATOM 671 CB PRO A 43 -4.089 -6.586 -21.000 1.00 0.00 C ATOM 672 CG PRO A 43 -3.991 -5.227 -21.676 1.00 0.00 C ATOM 673 CD PRO A 43 -5.180 -4.396 -21.224 1.00 0.00 C ATOM 0 HA PRO A 43 -5.753 -7.316 -19.830 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.125 -6.890 -20.592 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.391 -7.355 -21.711 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.057 -4.734 -21.408 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.993 -5.339 -22.760 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.858 -3.454 -20.779 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.830 -4.147 -22.063 1.00 0.00 H new ATOM 681 N ARG A 44 -3.713 -5.237 -18.346 1.00 0.00 N ATOM 682 CA ARG A 44 -3.051 -4.981 -17.078 1.00 0.00 C ATOM 683 C ARG A 44 -3.861 -3.982 -16.248 1.00 0.00 C ATOM 684 O ARG A 44 -4.398 -3.016 -16.786 1.00 0.00 O ATOM 685 CB ARG A 44 -1.640 -4.429 -17.293 1.00 0.00 C ATOM 686 CG ARG A 44 -0.708 -5.509 -17.845 1.00 0.00 C ATOM 687 CD ARG A 44 0.477 -5.743 -16.906 1.00 0.00 C ATOM 688 NE ARG A 44 0.683 -7.194 -16.700 1.00 0.00 N ATOM 689 CZ ARG A 44 -0.046 -7.945 -15.864 1.00 0.00 C ATOM 690 NH1 ARG A 44 -1.032 -7.387 -15.149 1.00 0.00 N ATOM 691 NH2 ARG A 44 0.212 -9.255 -15.742 1.00 0.00 N ATOM 0 H ARG A 44 -3.523 -4.548 -19.073 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.980 -5.929 -16.545 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.676 -3.587 -17.984 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.246 -4.051 -16.350 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.261 -6.439 -17.977 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.344 -5.212 -18.829 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.378 -5.296 -17.326 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.295 -5.254 -15.949 1.00 0.00 H new ATOM 0 HE ARG A 44 1.427 -7.651 -17.228 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.228 -6.390 -15.241 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.587 -7.959 -14.512 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.963 -9.680 -16.286 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.343 -9.827 -15.105 1.00 0.00 H new ATOM 705 N GLY A 45 -3.922 -4.250 -14.952 1.00 0.00 N ATOM 706 CA GLY A 45 -4.657 -3.387 -14.043 1.00 0.00 C ATOM 707 C GLY A 45 -5.599 -4.201 -13.155 1.00 0.00 C ATOM 708 O GLY A 45 -5.640 -5.427 -13.247 1.00 0.00 O ATOM 0 H GLY A 45 -3.474 -5.053 -14.510 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.958 -2.828 -13.421 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.230 -2.656 -14.613 1.00 0.00 H new ATOM 712 N PRO A 46 -6.354 -3.468 -12.294 1.00 0.00 N ATOM 713 CA PRO A 46 -6.244 -2.020 -12.250 1.00 0.00 C ATOM 714 C PRO A 46 -4.958 -1.589 -11.543 1.00 0.00 C ATOM 715 O PRO A 46 -4.372 -2.361 -10.786 1.00 0.00 O ATOM 716 CB PRO A 46 -7.501 -1.552 -11.532 1.00 0.00 C ATOM 717 CG PRO A 46 -8.037 -2.769 -10.794 1.00 0.00 C ATOM 718 CD PRO A 46 -7.328 -3.997 -11.343 1.00 0.00 C ATOM 0 HA PRO A 46 -6.177 -1.573 -13.242 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.276 -0.742 -10.838 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.236 -1.170 -12.240 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.861 -2.674 -9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.115 -2.856 -10.934 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.840 -4.561 -10.548 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.029 -4.675 -11.830 1.00 0.00 H new ATOM 726 N ARG A 47 -4.555 -0.357 -11.817 1.00 0.00 N ATOM 727 CA ARG A 47 -3.348 0.186 -11.217 1.00 0.00 C ATOM 728 C ARG A 47 -3.664 0.806 -9.855 1.00 0.00 C ATOM 729 O ARG A 47 -4.562 1.639 -9.741 1.00 0.00 O ATOM 730 CB ARG A 47 -2.714 1.248 -12.118 1.00 0.00 C ATOM 731 CG ARG A 47 -1.593 0.648 -12.968 1.00 0.00 C ATOM 732 CD ARG A 47 -0.556 1.711 -13.339 1.00 0.00 C ATOM 733 NE ARG A 47 -0.184 1.581 -14.765 1.00 0.00 N ATOM 734 CZ ARG A 47 -0.947 2.002 -15.782 1.00 0.00 C ATOM 735 NH1 ARG A 47 -2.130 2.584 -15.537 1.00 0.00 N ATOM 736 NH2 ARG A 47 -0.529 1.842 -17.045 1.00 0.00 N ATOM 0 H ARG A 47 -5.043 0.281 -12.446 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.643 -0.636 -11.091 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.475 1.681 -12.767 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.318 2.059 -11.507 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.110 -0.161 -12.420 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.013 0.212 -13.875 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.959 2.706 -13.149 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.329 1.601 -12.713 1.00 0.00 H new ATOM 0 HE ARG A 47 0.710 1.143 -14.988 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.449 2.706 -14.576 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.711 2.905 -16.312 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.371 1.399 -17.232 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.111 2.163 -17.819 1.00 0.00 H new ATOM 750 N GLY A 48 -2.908 0.376 -8.854 1.00 0.00 N ATOM 751 CA GLY A 48 -3.098 0.880 -7.504 1.00 0.00 C ATOM 752 C GLY A 48 -2.598 2.320 -7.382 1.00 0.00 C ATOM 753 O GLY A 48 -2.514 3.039 -8.375 1.00 0.00 O ATOM 0 H GLY A 48 -2.164 -0.315 -8.951 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.155 0.834 -7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.565 0.245 -6.796 1.00 0.00 H new ATOM 757 N PRO A 49 -2.272 2.709 -6.120 1.00 0.00 N ATOM 758 CA PRO A 49 -1.783 4.051 -5.853 1.00 0.00 C ATOM 759 C PRO A 49 -0.333 4.208 -6.314 1.00 0.00 C ATOM 760 O PRO A 49 0.572 3.594 -5.749 1.00 0.00 O ATOM 761 CB PRO A 49 -1.954 4.241 -4.354 1.00 0.00 C ATOM 762 CG PRO A 49 -2.094 2.846 -3.770 1.00 0.00 C ATOM 763 CD PRO A 49 -2.358 1.884 -4.918 1.00 0.00 C ATOM 0 HA PRO A 49 -2.331 4.816 -6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.096 4.759 -3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.834 4.846 -4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.187 2.563 -3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.911 2.814 -3.050 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.623 1.079 -4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.339 1.418 -4.827 1.00 0.00 H new ATOM 771 N ARG A 50 -0.156 5.032 -7.335 1.00 0.00 N ATOM 772 CA ARG A 50 1.169 5.277 -7.879 1.00 0.00 C ATOM 773 C ARG A 50 1.514 6.766 -7.787 1.00 0.00 C ATOM 774 O ARG A 50 0.643 7.619 -7.950 1.00 0.00 O ATOM 775 CB ARG A 50 1.257 4.831 -9.340 1.00 0.00 C ATOM 776 CG ARG A 50 2.638 4.251 -9.653 1.00 0.00 C ATOM 777 CD ARG A 50 2.543 3.149 -10.710 1.00 0.00 C ATOM 778 NE ARG A 50 2.122 3.725 -12.007 1.00 0.00 N ATOM 779 CZ ARG A 50 2.298 3.120 -13.190 1.00 0.00 C ATOM 780 NH1 ARG A 50 2.887 1.918 -13.246 1.00 0.00 N ATOM 781 NH2 ARG A 50 1.885 3.719 -14.315 1.00 0.00 N ATOM 0 H ARG A 50 -0.908 5.539 -7.801 1.00 0.00 H new ATOM 0 HA ARG A 50 1.880 4.698 -7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.490 4.084 -9.543 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.057 5.679 -9.996 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.297 5.043 -10.007 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.083 3.849 -8.742 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.508 2.654 -10.819 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.829 2.389 -10.392 1.00 0.00 H new ATOM 0 HE ARG A 50 1.670 4.639 -12.000 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.201 1.464 -12.389 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.021 1.457 -14.146 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.437 4.634 -14.271 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.018 3.260 -15.216 1.00 0.00 H new ATOM 795 N PRO A 51 2.819 7.038 -7.518 1.00 0.00 N ATOM 796 CA PRO A 51 3.289 8.408 -7.403 1.00 0.00 C ATOM 797 C PRO A 51 3.399 9.068 -8.779 1.00 0.00 C ATOM 798 O PRO A 51 4.367 8.846 -9.503 1.00 0.00 O ATOM 799 CB PRO A 51 4.625 8.306 -6.685 1.00 0.00 C ATOM 800 CG PRO A 51 5.072 6.861 -6.839 1.00 0.00 C ATOM 801 CD PRO A 51 3.877 6.053 -7.319 1.00 0.00 C ATOM 0 HA PRO A 51 2.600 9.044 -6.847 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.355 8.989 -7.119 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.525 8.574 -5.633 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.893 6.789 -7.552 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.440 6.472 -5.890 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.103 5.523 -8.244 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.586 5.302 -6.584 1.00 0.00 H new ATOM 809 N GLN A 52 2.391 9.866 -9.099 1.00 0.00 N ATOM 810 CA GLN A 52 2.361 10.560 -10.375 1.00 0.00 C ATOM 811 C GLN A 52 2.155 12.061 -10.158 1.00 0.00 C ATOM 812 O GLN A 52 1.411 12.467 -9.267 1.00 0.00 O ATOM 813 CB GLN A 52 1.277 9.984 -11.288 1.00 0.00 C ATOM 814 CG GLN A 52 1.749 8.687 -11.947 1.00 0.00 C ATOM 815 CD GLN A 52 2.176 8.933 -13.397 1.00 0.00 C ATOM 816 OE1 GLN A 52 3.227 9.485 -13.676 1.00 0.00 O ATOM 817 NE2 GLN A 52 1.303 8.494 -14.299 1.00 0.00 N ATOM 0 H GLN A 52 1.588 10.047 -8.496 1.00 0.00 H new ATOM 0 HA GLN A 52 3.321 10.412 -10.869 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.372 9.794 -10.710 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.018 10.713 -12.056 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.584 8.271 -11.383 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.948 7.949 -11.920 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.441 8.040 -13.996 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.495 8.611 -15.294 1.00 0.00 H new ATOM 826 N THR A 53 2.827 12.844 -10.989 1.00 0.00 N ATOM 827 CA THR A 53 2.727 14.291 -10.900 1.00 0.00 C ATOM 828 C THR A 53 2.385 14.887 -12.266 1.00 0.00 C ATOM 829 O THR A 53 3.214 14.883 -13.174 1.00 0.00 O ATOM 830 CB THR A 53 4.039 14.820 -10.316 1.00 0.00 C ATOM 831 OG1 THR A 53 4.018 14.383 -8.961 1.00 0.00 O ATOM 832 CG2 THR A 53 4.061 16.347 -10.215 1.00 0.00 C ATOM 0 H THR A 53 3.443 12.504 -11.727 1.00 0.00 H new ATOM 0 HA THR A 53 1.915 14.592 -10.238 1.00 0.00 H new ATOM 0 HB THR A 53 4.872 14.485 -10.934 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.834 14.682 -8.508 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.013 16.670 -9.795 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.937 16.779 -11.208 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.248 16.681 -9.570 1.00 0.00 H new ATOM 840 N SER A 54 1.162 15.386 -12.369 1.00 0.00 N ATOM 841 CA SER A 54 0.700 15.984 -13.610 1.00 0.00 C ATOM 842 C SER A 54 0.269 17.432 -13.363 1.00 0.00 C ATOM 843 O SER A 54 -0.460 17.713 -12.413 1.00 0.00 O ATOM 844 CB SER A 54 -0.455 15.181 -14.212 1.00 0.00 C ATOM 845 OG SER A 54 -0.004 14.252 -15.193 1.00 0.00 O ATOM 0 H SER A 54 0.477 15.388 -11.613 1.00 0.00 H new ATOM 0 HA SER A 54 1.524 15.973 -14.323 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.977 14.646 -13.419 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.175 15.864 -14.663 1.00 0.00 H new ATOM 0 HG SER A 54 -0.770 13.758 -15.552 1.00 0.00 H new ATOM 851 N LEU A 55 0.737 18.312 -14.236 1.00 0.00 N ATOM 852 CA LEU A 55 0.409 19.723 -14.126 1.00 0.00 C ATOM 853 C LEU A 55 0.072 20.274 -15.513 1.00 0.00 C ATOM 854 O LEU A 55 0.344 19.628 -16.524 1.00 0.00 O ATOM 855 CB LEU A 55 1.535 20.481 -13.420 1.00 0.00 C ATOM 856 CG LEU A 55 1.242 20.936 -11.989 1.00 0.00 C ATOM 857 CD1 LEU A 55 2.533 21.302 -11.254 1.00 0.00 C ATOM 858 CD2 LEU A 55 0.230 22.084 -11.974 1.00 0.00 C ATOM 0 H LEU A 55 1.341 18.075 -15.023 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.476 19.861 -13.505 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.420 19.845 -13.404 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.784 21.359 -14.016 1.00 0.00 H new ATOM 0 HG LEU A 55 0.791 20.102 -11.452 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.296 21.622 -10.239 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.189 20.432 -11.216 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.035 22.113 -11.782 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.040 22.388 -10.945 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.630 22.929 -12.534 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.702 21.754 -12.433 1.00 0.00 H new ATOM 870 N LEU A 56 -0.515 21.462 -15.516 1.00 0.00 N ATOM 871 CA LEU A 56 -0.891 22.107 -16.763 1.00 0.00 C ATOM 872 C LEU A 56 -0.912 23.624 -16.560 1.00 0.00 C ATOM 873 O LEU A 56 -1.623 24.128 -15.693 1.00 0.00 O ATOM 874 CB LEU A 56 -2.213 21.539 -17.282 1.00 0.00 C ATOM 875 CG LEU A 56 -3.447 21.812 -16.420 1.00 0.00 C ATOM 876 CD1 LEU A 56 -4.543 22.502 -17.233 1.00 0.00 C ATOM 877 CD2 LEU A 56 -3.948 20.527 -15.757 1.00 0.00 C ATOM 0 H LEU A 56 -0.739 21.994 -14.675 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.154 21.898 -17.538 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.393 21.944 -18.278 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.103 20.460 -17.392 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.160 22.496 -15.621 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.408 22.684 -16.596 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.169 23.451 -17.617 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.834 21.863 -18.067 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.826 20.749 -15.150 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.212 19.800 -16.525 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.163 20.115 -15.123 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 517 -1.464 -1.627 -30.808 1.00 0.00 P ATOM 891 OP1 U B 517 -1.026 -1.539 -29.397 1.00 0.00 O ATOM 892 OP2 U B 517 -1.840 -2.962 -31.324 1.00 0.00 O ATOM 893 O5' U B 517 -2.719 -0.653 -30.998 1.00 0.00 O ATOM 894 C5' U B 517 -2.613 0.723 -30.639 1.00 0.00 C ATOM 895 C4' U B 517 -3.819 1.485 -31.141 1.00 0.00 C ATOM 896 O4' U B 517 -4.575 0.548 -31.930 1.00 0.00 O ATOM 897 C3' U B 517 -4.898 1.723 -30.088 1.00 0.00 C ATOM 898 O3' U B 517 -4.648 2.960 -29.424 1.00 0.00 O ATOM 899 C2' U B 517 -6.194 1.756 -30.849 1.00 0.00 C ATOM 900 O2' U B 517 -6.184 3.046 -31.421 1.00 0.00 O ATOM 901 C1' U B 517 -5.980 0.604 -31.826 1.00 0.00 C ATOM 902 N1 U B 517 -6.531 -0.682 -31.351 1.00 0.00 N ATOM 903 C2 U B 517 -7.694 -1.091 -31.929 1.00 0.00 C ATOM 904 O2 U B 517 -8.278 -0.460 -32.795 1.00 0.00 O ATOM 905 N3 U B 517 -8.209 -2.289 -31.487 1.00 0.00 N ATOM 906 C4 U B 517 -7.617 -3.060 -30.519 1.00 0.00 C ATOM 907 O4 U B 517 -8.167 -4.113 -30.203 1.00 0.00 O ATOM 908 C5 U B 517 -6.406 -2.586 -29.948 1.00 0.00 C ATOM 909 C6 U B 517 -5.923 -1.423 -30.391 1.00 0.00 C ATOM 0 H5' U B 517 -1.703 1.148 -31.062 1.00 0.00 H new ATOM 0 H5'' U B 517 -2.537 0.820 -29.556 1.00 0.00 H new ATOM 0 H4' U B 517 -3.420 2.402 -31.576 1.00 0.00 H new ATOM 0 H3' U B 517 -4.919 0.951 -29.319 1.00 0.00 H new ATOM 0 H2' U B 517 -7.148 1.626 -30.339 1.00 0.00 H new ATOM 0 HO2' U B 517 -6.248 3.719 -30.711 1.00 0.00 H new ATOM 0 H1' U B 517 -6.495 0.769 -32.772 1.00 0.00 H new ATOM 0 H3 U B 517 -9.079 -2.622 -31.902 1.00 0.00 H new ATOM 0 H5 U B 517 -5.893 -3.148 -29.181 1.00 0.00 H new ATOM 0 H6 U B 517 -5.002 -1.054 -29.964 1.00 0.00 H new ATOM 920 P U B 518 -4.011 2.965 -27.957 1.00 0.00 P ATOM 921 OP1 U B 518 -2.537 2.875 -28.053 1.00 0.00 O ATOM 922 OP2 U B 518 -4.702 1.968 -27.109 1.00 0.00 O ATOM 923 O5' U B 518 -4.382 4.422 -27.409 1.00 0.00 O ATOM 924 C5' U B 518 -4.849 5.425 -28.309 1.00 0.00 C ATOM 925 C4' U B 518 -6.360 5.464 -28.306 1.00 0.00 C ATOM 926 O4' U B 518 -6.888 4.254 -28.882 1.00 0.00 O ATOM 927 C3' U B 518 -6.997 5.131 -26.959 1.00 0.00 C ATOM 928 O3' U B 518 -6.907 6.266 -26.100 1.00 0.00 O ATOM 929 C2' U B 518 -8.427 4.785 -27.270 1.00 0.00 C ATOM 930 O2' U B 518 -9.049 6.050 -27.310 1.00 0.00 O ATOM 931 C1' U B 518 -8.264 4.091 -28.619 1.00 0.00 C ATOM 932 N1 U B 518 -8.638 2.662 -28.596 1.00 0.00 N ATOM 933 C2 U B 518 -9.794 2.330 -29.232 1.00 0.00 C ATOM 934 O2 U B 518 -10.510 3.139 -29.802 1.00 0.00 O ATOM 935 N3 U B 518 -10.144 0.999 -29.211 1.00 0.00 N ATOM 936 C4 U B 518 -9.397 0.027 -28.594 1.00 0.00 C ATOM 937 O4 U B 518 -9.807 -1.133 -28.639 1.00 0.00 O ATOM 938 C5 U B 518 -8.200 0.427 -27.944 1.00 0.00 C ATOM 939 C6 U B 518 -7.879 1.723 -27.977 1.00 0.00 C ATOM 0 H5' U B 518 -4.485 5.219 -29.316 1.00 0.00 H new ATOM 0 H5'' U B 518 -4.452 6.398 -28.019 1.00 0.00 H new ATOM 0 H4' U B 518 -6.555 6.444 -28.740 1.00 0.00 H new ATOM 0 H3' U B 518 -6.502 4.306 -26.447 1.00 0.00 H new ATOM 0 H2' U B 518 -9.010 4.150 -26.603 1.00 0.00 H new ATOM 0 HO2' U B 518 -8.534 6.685 -26.769 1.00 0.00 H new ATOM 0 H1' U B 518 -8.920 4.514 -29.379 1.00 0.00 H new ATOM 0 H3 U B 518 -11.006 0.720 -29.680 1.00 0.00 H new ATOM 0 H5 U B 518 -7.571 -0.292 -27.440 1.00 0.00 H new ATOM 0 H6 U B 518 -6.970 2.039 -27.487 1.00 0.00 H new ATOM 950 P U B 519 -5.758 6.340 -24.989 1.00 0.00 P ATOM 951 OP1 U B 519 -4.833 7.452 -25.304 1.00 0.00 O ATOM 952 OP2 U B 519 -5.168 4.997 -24.791 1.00 0.00 O ATOM 953 O5' U B 519 -6.563 6.726 -23.662 1.00 0.00 O ATOM 954 C5' U B 519 -7.870 7.291 -23.760 1.00 0.00 C ATOM 955 C4' U B 519 -8.593 7.157 -22.439 1.00 0.00 C ATOM 956 O4' U B 519 -8.368 5.808 -21.983 1.00 0.00 O ATOM 957 C3' U B 519 -7.893 7.835 -21.266 1.00 0.00 C ATOM 958 O3' U B 519 -8.333 9.189 -21.170 1.00 0.00 O ATOM 959 C2' U B 519 -8.290 7.040 -20.053 1.00 0.00 C ATOM 960 O2' U B 519 -9.600 7.495 -19.799 1.00 0.00 O ATOM 961 C1' U B 519 -8.184 5.619 -20.597 1.00 0.00 C ATOM 962 N1 U B 519 -6.884 4.974 -20.315 1.00 0.00 N ATOM 963 C2 U B 519 -6.654 4.624 -19.021 1.00 0.00 C ATOM 964 O2 U B 519 -7.451 4.815 -18.115 1.00 0.00 O ATOM 965 N3 U B 519 -5.444 4.024 -18.755 1.00 0.00 N ATOM 966 C4 U B 519 -4.494 3.773 -19.712 1.00 0.00 C ATOM 967 O4 U B 519 -3.448 3.230 -19.360 1.00 0.00 O ATOM 968 C5 U B 519 -4.785 4.158 -21.047 1.00 0.00 C ATOM 969 C6 U B 519 -5.964 4.739 -21.283 1.00 0.00 C ATOM 0 H5' U B 519 -8.434 6.788 -24.545 1.00 0.00 H new ATOM 0 H5'' U B 519 -7.800 8.342 -24.041 1.00 0.00 H new ATOM 0 H4' U B 519 -9.599 7.528 -22.634 1.00 0.00 H new ATOM 0 H3' U B 519 -6.809 7.861 -21.376 1.00 0.00 H new ATOM 0 H2' U B 519 -7.727 7.116 -19.123 1.00 0.00 H new ATOM 0 HO2' U B 519 -9.679 8.433 -20.072 1.00 0.00 H new ATOM 0 H1' U B 519 -8.908 4.949 -20.134 1.00 0.00 H new ATOM 0 H3 U B 519 -5.243 3.751 -17.793 1.00 0.00 H new ATOM 0 H5 U B 519 -4.077 3.987 -21.845 1.00 0.00 H new ATOM 0 H6 U B 519 -6.196 5.036 -22.295 1.00 0.00 H new ATOM 980 P U B 520 -7.366 10.302 -20.549 1.00 0.00 P ATOM 981 OP1 U B 520 -5.980 9.784 -20.494 1.00 0.00 O ATOM 982 OP2 U B 520 -7.950 10.825 -19.294 1.00 0.00 O ATOM 983 O5' U B 520 -7.414 11.470 -21.642 1.00 0.00 O ATOM 984 C5' U B 520 -6.394 12.467 -21.664 1.00 0.00 C ATOM 985 C4' U B 520 -6.998 13.833 -21.422 1.00 0.00 C ATOM 986 O4' U B 520 -7.437 14.383 -22.716 1.00 0.00 O ATOM 987 C3' U B 520 -8.266 13.820 -20.572 1.00 0.00 C ATOM 988 O3' U B 520 -8.018 14.495 -19.341 1.00 0.00 O ATOM 989 C2' U B 520 -9.302 14.534 -21.395 1.00 0.00 C ATOM 990 O2' U B 520 -9.131 15.879 -21.009 1.00 0.00 O ATOM 991 C1' U B 520 -8.831 14.191 -22.806 1.00 0.00 C ATOM 992 N1 U B 520 -9.155 12.809 -23.216 1.00 0.00 N ATOM 993 C2 U B 520 -8.241 12.186 -24.008 1.00 0.00 C ATOM 994 O2 U B 520 -7.201 12.705 -24.380 1.00 0.00 O ATOM 995 N3 U B 520 -8.541 10.897 -24.391 1.00 0.00 N ATOM 996 C4 U B 520 -9.686 10.241 -24.017 1.00 0.00 C ATOM 997 O4 U B 520 -9.850 9.090 -24.420 1.00 0.00 O ATOM 998 C5 U B 520 -10.607 10.937 -23.190 1.00 0.00 C ATOM 999 C6 U B 520 -10.296 12.185 -22.830 1.00 0.00 C ATOM 0 H5' U B 520 -5.881 12.453 -22.626 1.00 0.00 H new ATOM 0 H5'' U B 520 -5.646 12.251 -20.901 1.00 0.00 H new ATOM 0 H4' U B 520 -6.223 14.404 -20.911 1.00 0.00 H new ATOM 0 H3' U B 520 -8.598 12.813 -20.319 1.00 0.00 H new ATOM 0 H2' U B 520 -10.361 14.293 -21.297 1.00 0.00 H new ATOM 0 HO2' U B 520 -8.561 15.921 -20.213 1.00 0.00 H new ATOM 0 H1' U B 520 -9.322 14.803 -23.563 1.00 0.00 H new ATOM 0 H3 U B 520 -7.875 10.403 -24.985 1.00 0.00 H new ATOM 0 H5 U B 520 -11.526 10.474 -22.864 1.00 0.00 H new ATOM 0 H6 U B 520 -10.988 12.724 -22.200 1.00 0.00 H new ATOM 1010 P G B 521 -8.995 14.268 -18.094 1.00 0.00 P ATOM 1011 OP1 G B 521 -9.338 15.574 -17.486 1.00 0.00 O ATOM 1012 OP2 G B 521 -8.434 13.227 -17.204 1.00 0.00 O ATOM 1013 O5' G B 521 -10.317 13.677 -18.775 1.00 0.00 O ATOM 1014 C5' G B 521 -11.525 14.433 -18.761 1.00 0.00 C ATOM 1015 C4' G B 521 -12.606 13.675 -18.024 1.00 0.00 C ATOM 1016 O4' G B 521 -12.986 12.512 -18.820 1.00 0.00 O ATOM 1017 C3' G B 521 -12.092 12.782 -16.898 1.00 0.00 C ATOM 1018 O3' G B 521 -11.849 13.576 -15.738 1.00 0.00 O ATOM 1019 C2' G B 521 -13.183 11.776 -16.660 1.00 0.00 C ATOM 1020 O2' G B 521 -14.112 12.503 -15.886 1.00 0.00 O ATOM 1021 C1' G B 521 -13.613 11.480 -18.093 1.00 0.00 C ATOM 1022 N9 G B 521 -13.183 10.149 -18.574 1.00 0.00 N ATOM 1023 C8 G B 521 -11.948 9.611 -18.498 1.00 0.00 C ATOM 1024 N7 G B 521 -11.888 8.391 -19.024 1.00 0.00 N ATOM 1025 C5 G B 521 -13.166 8.156 -19.456 1.00 0.00 C ATOM 1026 C6 G B 521 -13.744 7.041 -20.100 1.00 0.00 C ATOM 1027 O6 G B 521 -13.151 6.009 -20.407 1.00 0.00 O ATOM 1028 N1 G B 521 -15.068 7.113 -20.407 1.00 0.00 N ATOM 1029 C2 G B 521 -15.745 8.237 -20.082 1.00 0.00 C ATOM 1030 N2 G B 521 -17.023 8.154 -20.446 1.00 0.00 N ATOM 1031 N3 G B 521 -15.300 9.351 -19.472 1.00 0.00 N ATOM 1032 C4 G B 521 -13.973 9.215 -19.191 1.00 0.00 C ATOM 0 H5' G B 521 -11.846 14.638 -19.782 1.00 0.00 H new ATOM 0 H5'' G B 521 -11.354 15.397 -18.281 1.00 0.00 H new ATOM 0 H4' G B 521 -13.313 14.462 -17.760 1.00 0.00 H new ATOM 0 H3' G B 521 -11.153 12.285 -17.144 1.00 0.00 H new ATOM 0 H2' G B 521 -12.980 10.839 -16.141 1.00 0.00 H new ATOM 0 HO2' G B 521 -13.677 13.299 -15.515 1.00 0.00 H new ATOM 0 H1' G B 521 -14.698 11.452 -18.198 1.00 0.00 H new ATOM 0 H8 G B 521 -11.101 10.116 -18.058 1.00 0.00 H new ATOM 0 H1 G B 521 -15.539 6.337 -20.872 1.00 0.00 H new ATOM 0 H21 G B 521 -17.657 8.932 -20.263 1.00 0.00 H new ATOM 0 H22 G B 521 -17.368 7.312 -20.908 1.00 0.00 H new ATOM 1044 P C B 522 -10.744 13.120 -14.674 1.00 0.00 P ATOM 1045 OP1 C B 522 -9.705 14.168 -14.556 1.00 0.00 O ATOM 1046 OP2 C B 522 -10.295 11.744 -14.980 1.00 0.00 O ATOM 1047 O5' C B 522 -11.562 13.079 -13.300 1.00 0.00 O ATOM 1048 C5' C B 522 -10.871 13.159 -12.055 1.00 0.00 C ATOM 1049 C4' C B 522 -11.853 13.079 -10.909 1.00 0.00 C ATOM 1050 O4' C B 522 -13.201 12.990 -11.453 1.00 0.00 O ATOM 1051 C3' C B 522 -11.976 11.695 -10.278 1.00 0.00 C ATOM 1052 O3' C B 522 -10.891 11.488 -9.374 1.00 0.00 O ATOM 1053 C2' C B 522 -13.298 11.700 -9.562 1.00 0.00 C ATOM 1054 O2' C B 522 -13.001 12.388 -8.368 1.00 0.00 O ATOM 1055 C1' C B 522 -14.159 12.465 -10.563 1.00 0.00 C ATOM 1056 N1 C B 522 -15.137 11.613 -11.272 1.00 0.00 N ATOM 1057 C2 C B 522 -16.473 12.011 -11.260 1.00 0.00 C ATOM 1058 O2 C B 522 -16.775 13.050 -10.661 1.00 0.00 O ATOM 1059 N3 C B 522 -17.381 11.252 -11.898 1.00 0.00 N ATOM 1060 C4 C B 522 -17.041 10.147 -12.531 1.00 0.00 C ATOM 1061 N4 C B 522 -17.952 9.411 -13.155 1.00 0.00 N ATOM 1062 C5 C B 522 -15.663 9.712 -12.558 1.00 0.00 C ATOM 1063 C6 C B 522 -14.769 10.479 -11.917 1.00 0.00 C ATOM 0 H5' C B 522 -10.312 14.093 -12.000 1.00 0.00 H new ATOM 0 H5'' C B 522 -10.146 12.348 -11.980 1.00 0.00 H new ATOM 0 H4' C B 522 -11.534 13.899 -10.265 1.00 0.00 H new ATOM 0 H3' C B 522 -11.935 10.889 -11.011 1.00 0.00 H new ATOM 0 H2' C B 522 -13.795 10.768 -9.292 1.00 0.00 H new ATOM 0 HO2' C B 522 -12.029 12.467 -8.269 1.00 0.00 H new ATOM 0 H1' C B 522 -14.780 13.217 -10.077 1.00 0.00 H new ATOM 0 H41 C B 522 -17.673 8.558 -13.641 1.00 0.00 H new ATOM 0 H42 C B 522 -18.931 9.698 -13.149 1.00 0.00 H new ATOM 0 H5 C B 522 -15.366 8.809 -13.072 1.00 0.00 H new ATOM 0 H6 C B 522 -13.730 10.186 -11.915 1.00 0.00 H new ATOM 1075 P U B 523 -10.729 10.083 -8.629 1.00 0.00 P ATOM 1076 OP1 U B 523 -11.862 9.198 -8.980 1.00 0.00 O ATOM 1077 OP2 U B 523 -10.459 10.308 -7.191 1.00 0.00 O ATOM 1078 O5' U B 523 -9.404 9.475 -9.291 1.00 0.00 O ATOM 1079 C5' U B 523 -8.255 10.299 -9.468 1.00 0.00 C ATOM 1080 C4' U B 523 -7.118 9.798 -8.608 1.00 0.00 C ATOM 1081 O4' U B 523 -7.749 9.537 -7.337 1.00 0.00 O ATOM 1082 C3' U B 523 -6.729 8.343 -8.860 1.00 0.00 C ATOM 1083 O3' U B 523 -5.702 8.294 -9.863 1.00 0.00 O ATOM 1084 C2' U B 523 -6.236 7.828 -7.537 1.00 0.00 C ATOM 1085 O2' U B 523 -4.937 8.373 -7.457 1.00 0.00 O ATOM 1086 C1' U B 523 -7.264 8.442 -6.592 1.00 0.00 C ATOM 1087 N1 U B 523 -8.357 7.516 -6.229 1.00 0.00 N ATOM 1088 C2 U B 523 -8.976 7.750 -5.040 1.00 0.00 C ATOM 1089 O2 U B 523 -8.674 8.662 -4.287 1.00 0.00 O ATOM 1090 N3 U B 523 -9.996 6.888 -4.700 1.00 0.00 N ATOM 1091 C4 U B 523 -10.398 5.839 -5.487 1.00 0.00 C ATOM 1092 O4 U B 523 -11.320 5.135 -5.084 1.00 0.00 O ATOM 1093 C5 U B 523 -9.719 5.641 -6.719 1.00 0.00 C ATOM 1094 C6 U B 523 -8.733 6.487 -7.029 1.00 0.00 C ATOM 0 H5' U B 523 -8.493 11.330 -9.205 1.00 0.00 H new ATOM 0 H5'' U B 523 -7.956 10.299 -10.516 1.00 0.00 H new ATOM 0 H4' U B 523 -6.297 10.503 -8.737 1.00 0.00 H new ATOM 0 H3' U B 523 -7.558 7.737 -9.225 1.00 0.00 H new ATOM 0 H2' U B 523 -6.159 6.758 -7.344 1.00 0.00 H new ATOM 0 HO2' U B 523 -4.577 8.495 -8.360 1.00 0.00 H new ATOM 0 HO3' U B 523 -5.448 7.362 -10.026 1.00 0.00 H new ATOM 0 H1' U B 523 -6.827 8.711 -5.630 1.00 0.00 H new ATOM 0 H3 U B 523 -10.479 7.038 -3.814 1.00 0.00 H new ATOM 0 H5 U B 523 -9.991 4.834 -7.383 1.00 0.00 H new ATOM 0 H6 U B 523 -8.209 6.345 -7.963 1.00 0.00 H new TER 1105 U B 523 HETATM 1106 ZN ZN A 57 -14.033 -0.362 -23.023 1.00 0.00 ZN