USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 509 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= -0.275 K(o=-0.27,f=-2.2!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.053 X(o=-0.053,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.0985 X(o=-0.098,f=-0.2) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.361 K(o=-0.36,f=-3!) USER MOD Single : A 25 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.8) 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+ -113:sc= 0.0633 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 142:sc= 0.00716! (180deg=-1.1!) USER MOD Single : A 52 GLN : amide:sc= -0.032 X(o=-0.032,f=-0.024) 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 493 A O2' : rot -25:sc= 0.402 USER MOD Single : B 494 A O2' : rot -164:sc= -1.98 USER MOD Single : B 495 C O2' : rot -38:sc= 1.62 USER MOD Single : B 496 A O2' : rot -22:sc= 0.419 USER MOD Single : B 497 G O2' : rot -30:sc= -0.675! USER MOD Single : B 498 U O2' : rot -27:sc= 0.448 USER MOD Single : B 498 U O3' : rot -70:sc= -0.22 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.417 -50.119 -47.108 1.00 0.00 N ATOM 2 CA ALA A 1 16.260 -50.783 -46.130 1.00 0.00 C ATOM 3 C ALA A 1 17.146 -49.746 -45.437 1.00 0.00 C ATOM 4 O ALA A 1 18.360 -49.728 -45.636 1.00 0.00 O ATOM 5 CB ALA A 1 17.077 -51.879 -46.820 1.00 0.00 C ATOM 0 H1 ALA A 1 14.814 -50.822 -47.581 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.819 -49.415 -46.630 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.014 -49.644 -47.815 1.00 0.00 H new ATOM 0 HA ALA A 1 15.652 -51.262 -45.363 1.00 0.00 H new ATOM 0 HB1 ALA A 1 17.710 -52.378 -46.086 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.402 -52.606 -47.271 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.701 -51.434 -47.595 1.00 0.00 H new ATOM 11 N THR A 2 16.505 -48.907 -44.637 1.00 0.00 N ATOM 12 CA THR A 2 17.218 -47.869 -43.914 1.00 0.00 C ATOM 13 C THR A 2 16.909 -47.953 -42.418 1.00 0.00 C ATOM 14 O THR A 2 15.897 -48.527 -42.020 1.00 0.00 O ATOM 15 CB THR A 2 16.851 -46.520 -44.536 1.00 0.00 C ATOM 16 OG1 THR A 2 15.431 -46.462 -44.423 1.00 0.00 O ATOM 17 CG2 THR A 2 17.106 -46.482 -46.044 1.00 0.00 C ATOM 0 H THR A 2 15.498 -48.925 -44.474 1.00 0.00 H new ATOM 0 HA THR A 2 18.297 -47.998 -43.999 1.00 0.00 H new ATOM 0 HB THR A 2 17.423 -45.729 -44.051 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.107 -45.618 -44.801 1.00 0.00 H new ATOM 0 HG21 THR A 2 16.829 -45.503 -46.435 1.00 0.00 H new ATOM 0 HG22 THR A 2 18.163 -46.665 -46.239 1.00 0.00 H new ATOM 0 HG23 THR A 2 16.508 -47.251 -46.534 1.00 0.00 H new ATOM 25 N VAL A 3 17.800 -47.371 -41.629 1.00 0.00 N ATOM 26 CA VAL A 3 17.636 -47.372 -40.185 1.00 0.00 C ATOM 27 C VAL A 3 18.226 -46.084 -39.607 1.00 0.00 C ATOM 28 O VAL A 3 19.386 -45.761 -39.860 1.00 0.00 O ATOM 29 CB VAL A 3 18.259 -48.636 -39.589 1.00 0.00 C ATOM 30 CG1 VAL A 3 19.784 -48.601 -39.701 1.00 0.00 C ATOM 31 CG2 VAL A 3 17.820 -48.830 -38.136 1.00 0.00 C ATOM 0 H VAL A 3 18.638 -46.895 -41.962 1.00 0.00 H new ATOM 0 HA VAL A 3 16.579 -47.391 -39.921 1.00 0.00 H new ATOM 0 HB VAL A 3 17.901 -49.490 -40.164 1.00 0.00 H new ATOM 0 HG11 VAL A 3 20.201 -49.511 -39.270 1.00 0.00 H new ATOM 0 HG12 VAL A 3 20.070 -48.532 -40.750 1.00 0.00 H new ATOM 0 HG13 VAL A 3 20.169 -47.735 -39.162 1.00 0.00 H new ATOM 0 HG21 VAL A 3 18.277 -49.735 -37.736 1.00 0.00 H new ATOM 0 HG22 VAL A 3 18.136 -47.972 -37.543 1.00 0.00 H new ATOM 0 HG23 VAL A 3 16.735 -48.922 -38.093 1.00 0.00 H new ATOM 41 N VAL A 4 17.402 -45.384 -38.842 1.00 0.00 N ATOM 42 CA VAL A 4 17.828 -44.138 -38.227 1.00 0.00 C ATOM 43 C VAL A 4 17.384 -44.120 -36.763 1.00 0.00 C ATOM 44 O VAL A 4 18.178 -43.822 -35.872 1.00 0.00 O ATOM 45 CB VAL A 4 17.297 -42.949 -39.029 1.00 0.00 C ATOM 46 CG1 VAL A 4 15.768 -42.971 -39.092 1.00 0.00 C ATOM 47 CG2 VAL A 4 17.803 -41.627 -38.449 1.00 0.00 C ATOM 0 H VAL A 4 16.441 -45.656 -38.634 1.00 0.00 H new ATOM 0 HA VAL A 4 18.915 -44.058 -38.238 1.00 0.00 H new ATOM 0 HB VAL A 4 17.676 -43.034 -40.047 1.00 0.00 H new ATOM 0 HG11 VAL A 4 15.415 -42.115 -39.668 1.00 0.00 H new ATOM 0 HG12 VAL A 4 15.437 -43.892 -39.571 1.00 0.00 H new ATOM 0 HG13 VAL A 4 15.361 -42.921 -38.082 1.00 0.00 H new ATOM 0 HG21 VAL A 4 17.411 -40.798 -39.038 1.00 0.00 H new ATOM 0 HG22 VAL A 4 17.467 -41.530 -37.417 1.00 0.00 H new ATOM 0 HG23 VAL A 4 18.892 -41.610 -38.479 1.00 0.00 H new ATOM 57 N SER A 5 16.115 -44.442 -36.559 1.00 0.00 N ATOM 58 CA SER A 5 15.554 -44.466 -35.218 1.00 0.00 C ATOM 59 C SER A 5 16.165 -45.617 -34.416 1.00 0.00 C ATOM 60 O SER A 5 15.976 -46.784 -34.757 1.00 0.00 O ATOM 61 CB SER A 5 14.030 -44.599 -35.261 1.00 0.00 C ATOM 62 OG SER A 5 13.398 -43.826 -34.244 1.00 0.00 O ATOM 0 H SER A 5 15.459 -44.689 -37.300 1.00 0.00 H new ATOM 0 HA SER A 5 15.796 -43.522 -34.729 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.666 -44.280 -36.238 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.754 -45.647 -35.144 1.00 0.00 H new ATOM 0 HG SER A 5 12.426 -43.936 -34.306 1.00 0.00 H new ATOM 68 N GLY A 6 16.883 -45.248 -33.366 1.00 0.00 N ATOM 69 CA GLY A 6 17.522 -46.236 -32.513 1.00 0.00 C ATOM 70 C GLY A 6 16.491 -46.966 -31.651 1.00 0.00 C ATOM 71 O GLY A 6 15.679 -47.735 -32.166 1.00 0.00 O ATOM 0 H GLY A 6 17.037 -44.279 -33.086 1.00 0.00 H new ATOM 0 HA2 GLY A 6 18.063 -46.956 -33.127 1.00 0.00 H new ATOM 0 HA3 GLY A 6 18.256 -45.748 -31.872 1.00 0.00 H new ATOM 75 N GLN A 7 16.554 -46.700 -30.355 1.00 0.00 N ATOM 76 CA GLN A 7 15.636 -47.323 -29.417 1.00 0.00 C ATOM 77 C GLN A 7 15.521 -46.478 -28.147 1.00 0.00 C ATOM 78 O GLN A 7 14.438 -46.001 -27.810 1.00 0.00 O ATOM 79 CB GLN A 7 16.072 -48.751 -29.087 1.00 0.00 C ATOM 80 CG GLN A 7 14.936 -49.536 -28.431 1.00 0.00 C ATOM 81 CD GLN A 7 15.479 -50.549 -27.421 1.00 0.00 C ATOM 82 OE1 GLN A 7 16.589 -50.438 -26.928 1.00 0.00 O ATOM 83 NE2 GLN A 7 14.636 -51.539 -27.142 1.00 0.00 N ATOM 0 H GLN A 7 17.227 -46.061 -29.932 1.00 0.00 H new ATOM 0 HA GLN A 7 14.653 -47.378 -29.885 1.00 0.00 H new ATOM 0 HB2 GLN A 7 16.389 -49.258 -29.999 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.934 -48.726 -28.420 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.256 -48.847 -27.930 1.00 0.00 H new ATOM 0 HG3 GLN A 7 14.359 -50.054 -29.196 1.00 0.00 H new ATOM 0 HE21 GLN A 7 13.721 -51.571 -27.591 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.905 -52.266 -26.479 1.00 0.00 H new ATOM 92 N LYS A 8 16.652 -46.319 -27.476 1.00 0.00 N ATOM 93 CA LYS A 8 16.692 -45.540 -26.249 1.00 0.00 C ATOM 94 C LYS A 8 17.417 -44.219 -26.513 1.00 0.00 C ATOM 95 O LYS A 8 18.618 -44.208 -26.778 1.00 0.00 O ATOM 96 CB LYS A 8 17.303 -46.361 -25.113 1.00 0.00 C ATOM 97 CG LYS A 8 16.228 -47.166 -24.379 1.00 0.00 C ATOM 98 CD LYS A 8 16.790 -47.790 -23.099 1.00 0.00 C ATOM 99 CE LYS A 8 15.764 -48.718 -22.445 1.00 0.00 C ATOM 100 NZ LYS A 8 16.311 -50.087 -22.318 1.00 0.00 N ATOM 0 H LYS A 8 17.548 -46.716 -27.758 1.00 0.00 H new ATOM 0 HA LYS A 8 15.682 -45.290 -25.923 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.059 -47.037 -25.513 1.00 0.00 H new ATOM 0 HB3 LYS A 8 17.808 -45.698 -24.411 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.387 -46.517 -24.133 1.00 0.00 H new ATOM 0 HG3 LYS A 8 15.845 -47.950 -25.033 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.696 -48.350 -23.331 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.071 -47.003 -22.400 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.494 -48.335 -21.461 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.851 -48.738 -23.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.602 -50.704 -21.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.547 -50.456 -23.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.169 -50.065 -21.731 1.00 0.00 H new ATOM 114 N GLN A 9 16.656 -43.137 -26.431 1.00 0.00 N ATOM 115 CA GLN A 9 17.212 -41.813 -26.657 1.00 0.00 C ATOM 116 C GLN A 9 18.435 -41.591 -25.766 1.00 0.00 C ATOM 117 O GLN A 9 19.423 -40.998 -26.196 1.00 0.00 O ATOM 118 CB GLN A 9 16.158 -40.729 -26.422 1.00 0.00 C ATOM 119 CG GLN A 9 15.351 -41.014 -25.154 1.00 0.00 C ATOM 120 CD GLN A 9 13.871 -41.219 -25.480 1.00 0.00 C ATOM 121 OE1 GLN A 9 13.159 -40.304 -25.860 1.00 0.00 O ATOM 122 NE2 GLN A 9 13.448 -42.469 -25.313 1.00 0.00 N ATOM 0 H GLN A 9 15.660 -43.150 -26.211 1.00 0.00 H new ATOM 0 HA GLN A 9 17.529 -41.746 -27.698 1.00 0.00 H new ATOM 0 HB2 GLN A 9 16.644 -39.757 -26.337 1.00 0.00 H new ATOM 0 HB3 GLN A 9 15.488 -40.677 -27.280 1.00 0.00 H new ATOM 0 HG2 GLN A 9 15.745 -41.903 -24.660 1.00 0.00 H new ATOM 0 HG3 GLN A 9 15.461 -40.185 -24.455 1.00 0.00 H new ATOM 0 HE21 GLN A 9 14.096 -43.188 -24.992 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.475 -42.708 -25.506 1.00 0.00 H new ATOM 131 N ASP A 10 18.329 -42.080 -24.538 1.00 0.00 N ATOM 132 CA ASP A 10 19.415 -41.942 -23.582 1.00 0.00 C ATOM 133 C ASP A 10 19.708 -40.457 -23.360 1.00 0.00 C ATOM 134 O ASP A 10 20.410 -39.833 -24.154 1.00 0.00 O ATOM 135 CB ASP A 10 20.693 -42.603 -24.101 1.00 0.00 C ATOM 136 CG ASP A 10 21.733 -42.930 -23.028 1.00 0.00 C ATOM 137 OD1 ASP A 10 22.925 -42.657 -23.290 1.00 0.00 O ATOM 138 OD2 ASP A 10 21.314 -43.448 -21.970 1.00 0.00 O ATOM 0 H ASP A 10 17.508 -42.572 -24.184 1.00 0.00 H new ATOM 0 HA ASP A 10 19.110 -42.425 -22.654 1.00 0.00 H new ATOM 0 HB2 ASP A 10 20.424 -43.524 -24.617 1.00 0.00 H new ATOM 0 HB3 ASP A 10 21.150 -41.945 -24.840 1.00 0.00 H new ATOM 143 N ARG A 11 19.154 -39.933 -22.276 1.00 0.00 N ATOM 144 CA ARG A 11 19.348 -38.533 -21.939 1.00 0.00 C ATOM 145 C ARG A 11 20.684 -38.339 -21.219 1.00 0.00 C ATOM 146 O ARG A 11 21.098 -39.189 -20.432 1.00 0.00 O ATOM 147 CB ARG A 11 18.216 -38.020 -21.045 1.00 0.00 C ATOM 148 CG ARG A 11 17.647 -36.704 -21.582 1.00 0.00 C ATOM 149 CD ARG A 11 16.412 -36.277 -20.787 1.00 0.00 C ATOM 150 NE ARG A 11 15.816 -35.066 -21.393 1.00 0.00 N ATOM 151 CZ ARG A 11 16.334 -33.835 -21.277 1.00 0.00 C ATOM 152 NH1 ARG A 11 17.461 -33.646 -20.578 1.00 0.00 N ATOM 153 NH2 ARG A 11 15.725 -32.794 -21.860 1.00 0.00 N ATOM 0 H ARG A 11 18.571 -40.453 -21.620 1.00 0.00 H new ATOM 0 HA ARG A 11 19.348 -37.965 -22.870 1.00 0.00 H new ATOM 0 HB2 ARG A 11 17.424 -38.767 -20.990 1.00 0.00 H new ATOM 0 HB3 ARG A 11 18.587 -37.873 -20.031 1.00 0.00 H new ATOM 0 HG2 ARG A 11 18.407 -35.925 -21.526 1.00 0.00 H new ATOM 0 HG3 ARG A 11 17.385 -36.819 -22.634 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.680 -37.085 -20.773 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.687 -36.078 -19.751 1.00 0.00 H new ATOM 0 HE ARG A 11 14.957 -35.175 -21.933 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.925 -34.439 -20.134 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.855 -32.709 -20.490 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.867 -32.938 -22.392 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.119 -31.857 -21.772 1.00 0.00 H new ATOM 167 N GLN A 12 21.322 -37.217 -21.515 1.00 0.00 N ATOM 168 CA GLN A 12 22.603 -36.901 -20.905 1.00 0.00 C ATOM 169 C GLN A 12 22.397 -36.062 -19.642 1.00 0.00 C ATOM 170 O GLN A 12 22.658 -36.529 -18.534 1.00 0.00 O ATOM 171 CB GLN A 12 23.519 -36.182 -21.898 1.00 0.00 C ATOM 172 CG GLN A 12 24.171 -37.175 -22.861 1.00 0.00 C ATOM 173 CD GLN A 12 23.297 -37.393 -24.099 1.00 0.00 C ATOM 174 OE1 GLN A 12 22.900 -36.463 -24.781 1.00 0.00 O ATOM 175 NE2 GLN A 12 23.020 -38.670 -24.348 1.00 0.00 N ATOM 0 H GLN A 12 20.976 -36.515 -22.169 1.00 0.00 H new ATOM 0 HA GLN A 12 23.089 -37.834 -20.622 1.00 0.00 H new ATOM 0 HB2 GLN A 12 22.944 -35.447 -22.462 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.291 -35.635 -21.356 1.00 0.00 H new ATOM 0 HG2 GLN A 12 25.150 -36.804 -23.164 1.00 0.00 H new ATOM 0 HG3 GLN A 12 24.333 -38.126 -22.354 1.00 0.00 H new ATOM 0 HE21 GLN A 12 23.385 -39.400 -23.736 1.00 0.00 H new ATOM 0 HE22 GLN A 12 22.443 -38.919 -25.151 1.00 0.00 H new ATOM 184 N GLY A 13 21.931 -34.840 -19.851 1.00 0.00 N ATOM 185 CA GLY A 13 21.687 -33.933 -18.743 1.00 0.00 C ATOM 186 C GLY A 13 21.763 -32.475 -19.201 1.00 0.00 C ATOM 187 O GLY A 13 22.304 -32.182 -20.266 1.00 0.00 O ATOM 0 H GLY A 13 21.716 -34.457 -20.771 1.00 0.00 H new ATOM 0 HA2 GLY A 13 20.705 -34.133 -18.315 1.00 0.00 H new ATOM 0 HA3 GLY A 13 22.420 -34.109 -17.956 1.00 0.00 H new ATOM 191 N GLY A 14 21.212 -31.598 -18.374 1.00 0.00 N ATOM 192 CA GLY A 14 21.209 -30.179 -18.681 1.00 0.00 C ATOM 193 C GLY A 14 20.004 -29.807 -19.546 1.00 0.00 C ATOM 194 O GLY A 14 19.526 -30.621 -20.333 1.00 0.00 O ATOM 0 H GLY A 14 20.764 -31.844 -17.491 1.00 0.00 H new ATOM 0 HA2 GLY A 14 21.188 -29.603 -17.756 1.00 0.00 H new ATOM 0 HA3 GLY A 14 22.130 -29.914 -19.201 1.00 0.00 H new ATOM 198 N GLU A 15 19.548 -28.575 -19.371 1.00 0.00 N ATOM 199 CA GLU A 15 18.408 -28.085 -20.127 1.00 0.00 C ATOM 200 C GLU A 15 18.832 -26.937 -21.044 1.00 0.00 C ATOM 201 O GLU A 15 18.320 -26.802 -22.155 1.00 0.00 O ATOM 202 CB GLU A 15 17.277 -27.649 -19.191 1.00 0.00 C ATOM 203 CG GLU A 15 17.820 -26.830 -18.018 1.00 0.00 C ATOM 204 CD GLU A 15 17.994 -27.703 -16.774 1.00 0.00 C ATOM 205 OE1 GLU A 15 17.671 -27.197 -15.677 1.00 0.00 O ATOM 206 OE2 GLU A 15 18.444 -28.856 -16.947 1.00 0.00 O ATOM 0 H GLU A 15 19.947 -27.902 -18.717 1.00 0.00 H new ATOM 0 HA GLU A 15 18.031 -28.899 -20.747 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.549 -27.057 -19.746 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.753 -28.527 -18.814 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.777 -26.386 -18.292 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.139 -26.008 -17.798 1.00 0.00 H new ATOM 213 N ARG A 16 19.765 -26.137 -20.547 1.00 0.00 N ATOM 214 CA ARG A 16 20.265 -25.006 -21.308 1.00 0.00 C ATOM 215 C ARG A 16 21.721 -24.717 -20.937 1.00 0.00 C ATOM 216 O ARG A 16 21.997 -24.189 -19.860 1.00 0.00 O ATOM 217 CB ARG A 16 19.422 -23.754 -21.053 1.00 0.00 C ATOM 218 CG ARG A 16 18.300 -23.628 -22.085 1.00 0.00 C ATOM 219 CD ARG A 16 16.982 -23.232 -21.416 1.00 0.00 C ATOM 220 NE ARG A 16 16.583 -21.874 -21.851 1.00 0.00 N ATOM 221 CZ ARG A 16 15.704 -21.104 -21.196 1.00 0.00 C ATOM 222 NH1 ARG A 16 15.127 -21.552 -20.073 1.00 0.00 N ATOM 223 NH2 ARG A 16 15.401 -19.886 -21.664 1.00 0.00 N ATOM 0 H ARG A 16 20.187 -26.251 -19.626 1.00 0.00 H new ATOM 0 HA ARG A 16 20.201 -25.264 -22.365 1.00 0.00 H new ATOM 0 HB2 ARG A 16 18.996 -23.796 -20.051 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.058 -22.869 -21.092 1.00 0.00 H new ATOM 0 HG2 ARG A 16 18.571 -22.883 -22.833 1.00 0.00 H new ATOM 0 HG3 ARG A 16 18.175 -24.575 -22.610 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.203 -23.949 -21.675 1.00 0.00 H new ATOM 0 HD3 ARG A 16 17.092 -23.258 -20.332 1.00 0.00 H new ATOM 0 HE ARG A 16 17.004 -21.502 -22.702 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.357 -22.480 -19.716 1.00 0.00 H new ATOM 0 HH12 ARG A 16 14.458 -20.965 -19.574 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.840 -19.545 -22.519 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.732 -19.300 -21.165 1.00 0.00 H new ATOM 237 N ARG A 17 22.613 -25.074 -21.848 1.00 0.00 N ATOM 238 CA ARG A 17 24.034 -24.861 -21.629 1.00 0.00 C ATOM 239 C ARG A 17 24.464 -25.477 -20.296 1.00 0.00 C ATOM 240 O ARG A 17 23.625 -25.917 -19.512 1.00 0.00 O ATOM 241 CB ARG A 17 24.372 -23.368 -21.626 1.00 0.00 C ATOM 242 CG ARG A 17 25.337 -23.022 -22.761 1.00 0.00 C ATOM 243 CD ARG A 17 26.729 -22.695 -22.216 1.00 0.00 C ATOM 244 NE ARG A 17 27.731 -22.785 -23.301 1.00 0.00 N ATOM 245 CZ ARG A 17 28.070 -23.925 -23.918 1.00 0.00 C ATOM 246 NH1 ARG A 17 27.488 -25.078 -23.561 1.00 0.00 N ATOM 247 NH2 ARG A 17 28.989 -23.912 -24.893 1.00 0.00 N ATOM 0 H ARG A 17 22.380 -25.510 -22.740 1.00 0.00 H new ATOM 0 HA ARG A 17 24.572 -25.343 -22.446 1.00 0.00 H new ATOM 0 HB2 ARG A 17 23.457 -22.784 -21.731 1.00 0.00 H new ATOM 0 HB3 ARG A 17 24.817 -23.094 -20.669 1.00 0.00 H new ATOM 0 HG2 ARG A 17 25.402 -23.859 -23.456 1.00 0.00 H new ATOM 0 HG3 ARG A 17 24.953 -22.170 -23.323 1.00 0.00 H new ATOM 0 HD2 ARG A 17 26.734 -21.693 -21.787 1.00 0.00 H new ATOM 0 HD3 ARG A 17 26.986 -23.387 -21.414 1.00 0.00 H new ATOM 0 HE ARG A 17 28.193 -21.925 -23.598 1.00 0.00 H new ATOM 0 HH11 ARG A 17 26.787 -25.088 -22.820 1.00 0.00 H new ATOM 0 HH12 ARG A 17 27.746 -25.946 -24.030 1.00 0.00 H new ATOM 0 HH21 ARG A 17 29.431 -23.034 -25.166 1.00 0.00 H new ATOM 0 HH22 ARG A 17 29.247 -24.780 -25.362 1.00 0.00 H new ATOM 261 N ARG A 18 25.772 -25.488 -20.082 1.00 0.00 N ATOM 262 CA ARG A 18 26.323 -26.043 -18.857 1.00 0.00 C ATOM 263 C ARG A 18 27.601 -25.298 -18.466 1.00 0.00 C ATOM 264 O ARG A 18 28.641 -25.916 -18.242 1.00 0.00 O ATOM 265 CB ARG A 18 26.639 -27.531 -19.021 1.00 0.00 C ATOM 266 CG ARG A 18 27.367 -27.796 -20.341 1.00 0.00 C ATOM 267 CD ARG A 18 27.137 -29.233 -20.814 1.00 0.00 C ATOM 268 NE ARG A 18 26.153 -29.250 -21.919 1.00 0.00 N ATOM 269 CZ ARG A 18 25.928 -30.310 -22.708 1.00 0.00 C ATOM 270 NH1 ARG A 18 26.614 -31.445 -22.518 1.00 0.00 N ATOM 271 NH2 ARG A 18 25.014 -30.234 -23.687 1.00 0.00 N ATOM 0 H ARG A 18 26.465 -25.122 -20.735 1.00 0.00 H new ATOM 0 HA ARG A 18 25.575 -25.926 -18.073 1.00 0.00 H new ATOM 0 HB2 ARG A 18 27.255 -27.869 -18.188 1.00 0.00 H new ATOM 0 HB3 ARG A 18 25.715 -28.108 -18.989 1.00 0.00 H new ATOM 0 HG2 ARG A 18 27.015 -27.098 -21.101 1.00 0.00 H new ATOM 0 HG3 ARG A 18 28.435 -27.617 -20.214 1.00 0.00 H new ATOM 0 HD2 ARG A 18 28.078 -29.670 -21.147 1.00 0.00 H new ATOM 0 HD3 ARG A 18 26.777 -29.844 -19.986 1.00 0.00 H new ATOM 0 HE ARG A 18 25.612 -28.402 -22.091 1.00 0.00 H new ATOM 0 HH11 ARG A 18 27.308 -31.503 -21.773 1.00 0.00 H new ATOM 0 HH12 ARG A 18 26.442 -32.251 -23.119 1.00 0.00 H new ATOM 0 HH21 ARG A 18 24.491 -29.370 -23.830 1.00 0.00 H new ATOM 0 HH22 ARG A 18 24.842 -31.040 -24.288 1.00 0.00 H new ATOM 285 N SER A 19 27.482 -23.980 -18.395 1.00 0.00 N ATOM 286 CA SER A 19 28.614 -23.144 -18.034 1.00 0.00 C ATOM 287 C SER A 19 29.885 -23.664 -18.710 1.00 0.00 C ATOM 288 O SER A 19 30.884 -23.926 -18.042 1.00 0.00 O ATOM 289 CB SER A 19 28.802 -23.096 -16.517 1.00 0.00 C ATOM 290 OG SER A 19 27.968 -22.113 -15.907 1.00 0.00 O ATOM 0 H SER A 19 26.618 -23.471 -18.582 1.00 0.00 H new ATOM 0 HA SER A 19 28.414 -22.130 -18.380 1.00 0.00 H new ATOM 0 HB2 SER A 19 28.579 -24.075 -16.093 1.00 0.00 H new ATOM 0 HB3 SER A 19 29.845 -22.879 -16.287 1.00 0.00 H new ATOM 0 HG SER A 19 28.116 -22.114 -14.938 1.00 0.00 H new ATOM 296 N GLN A 20 29.805 -23.799 -20.026 1.00 0.00 N ATOM 297 CA GLN A 20 30.936 -24.283 -20.798 1.00 0.00 C ATOM 298 C GLN A 20 31.658 -25.398 -20.040 1.00 0.00 C ATOM 299 O GLN A 20 32.876 -25.346 -19.865 1.00 0.00 O ATOM 300 CB GLN A 20 31.895 -23.141 -21.141 1.00 0.00 C ATOM 301 CG GLN A 20 31.677 -22.654 -22.575 1.00 0.00 C ATOM 302 CD GLN A 20 31.613 -21.126 -22.630 1.00 0.00 C ATOM 303 OE1 GLN A 20 31.687 -20.439 -21.626 1.00 0.00 O ATOM 304 NE2 GLN A 20 31.467 -20.635 -23.859 1.00 0.00 N ATOM 0 H GLN A 20 28.974 -23.582 -20.577 1.00 0.00 H new ATOM 0 HA GLN A 20 30.562 -24.693 -21.736 1.00 0.00 H new ATOM 0 HB2 GLN A 20 31.746 -22.315 -20.446 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.925 -23.477 -21.020 1.00 0.00 H new ATOM 0 HG2 GLN A 20 32.487 -23.011 -23.211 1.00 0.00 H new ATOM 0 HG3 GLN A 20 30.752 -23.075 -22.969 1.00 0.00 H new ATOM 0 HE21 GLN A 20 31.412 -21.267 -24.658 1.00 0.00 H new ATOM 0 HE22 GLN A 20 31.410 -19.627 -24.002 1.00 0.00 H new ATOM 313 N LEU A 21 30.880 -26.380 -19.611 1.00 0.00 N ATOM 314 CA LEU A 21 31.431 -27.504 -18.875 1.00 0.00 C ATOM 315 C LEU A 21 32.565 -28.132 -19.687 1.00 0.00 C ATOM 316 O LEU A 21 32.333 -29.038 -20.487 1.00 0.00 O ATOM 317 CB LEU A 21 30.324 -28.492 -18.498 1.00 0.00 C ATOM 318 CG LEU A 21 30.500 -29.219 -17.163 1.00 0.00 C ATOM 319 CD1 LEU A 21 29.892 -30.622 -17.220 1.00 0.00 C ATOM 320 CD2 LEU A 21 31.971 -29.248 -16.743 1.00 0.00 C ATOM 0 H LEU A 21 29.872 -26.420 -19.759 1.00 0.00 H new ATOM 0 HA LEU A 21 31.861 -27.168 -17.932 1.00 0.00 H new ATOM 0 HB2 LEU A 21 29.377 -27.954 -18.474 1.00 0.00 H new ATOM 0 HB3 LEU A 21 30.246 -29.239 -19.288 1.00 0.00 H new ATOM 0 HG LEU A 21 29.959 -28.663 -16.397 1.00 0.00 H new ATOM 0 HD11 LEU A 21 30.030 -31.118 -16.259 1.00 0.00 H new ATOM 0 HD12 LEU A 21 28.827 -30.548 -17.440 1.00 0.00 H new ATOM 0 HD13 LEU A 21 30.385 -31.201 -18.001 1.00 0.00 H new ATOM 0 HD21 LEU A 21 32.067 -29.770 -15.791 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.556 -29.767 -17.502 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.339 -28.228 -16.636 1.00 0.00 H new ATOM 332 N ASP A 22 33.768 -27.628 -19.452 1.00 0.00 N ATOM 333 CA ASP A 22 34.939 -28.128 -20.151 1.00 0.00 C ATOM 334 C ASP A 22 35.021 -29.647 -19.979 1.00 0.00 C ATOM 335 O ASP A 22 34.686 -30.173 -18.918 1.00 0.00 O ATOM 336 CB ASP A 22 36.222 -27.518 -19.584 1.00 0.00 C ATOM 337 CG ASP A 22 37.146 -26.876 -20.621 1.00 0.00 C ATOM 338 OD1 ASP A 22 37.166 -27.391 -21.759 1.00 0.00 O ATOM 339 OD2 ASP A 22 37.810 -25.883 -20.252 1.00 0.00 O ATOM 0 H ASP A 22 33.957 -26.878 -18.787 1.00 0.00 H new ATOM 0 HA ASP A 22 34.845 -27.856 -21.202 1.00 0.00 H new ATOM 0 HB2 ASP A 22 35.952 -26.765 -18.844 1.00 0.00 H new ATOM 0 HB3 ASP A 22 36.775 -28.297 -19.059 1.00 0.00 H new ATOM 344 N ARG A 23 35.468 -30.307 -21.037 1.00 0.00 N ATOM 345 CA ARG A 23 35.598 -31.754 -21.015 1.00 0.00 C ATOM 346 C ARG A 23 36.622 -32.179 -19.961 1.00 0.00 C ATOM 347 O ARG A 23 36.729 -33.360 -19.636 1.00 0.00 O ATOM 348 CB ARG A 23 36.032 -32.288 -22.382 1.00 0.00 C ATOM 349 CG ARG A 23 34.819 -32.673 -23.230 1.00 0.00 C ATOM 350 CD ARG A 23 34.071 -33.856 -22.613 1.00 0.00 C ATOM 351 NE ARG A 23 34.447 -35.110 -23.305 1.00 0.00 N ATOM 352 CZ ARG A 23 33.957 -36.317 -22.992 1.00 0.00 C ATOM 353 NH1 ARG A 23 33.068 -36.442 -21.997 1.00 0.00 N ATOM 354 NH2 ARG A 23 34.355 -37.399 -23.675 1.00 0.00 N ATOM 0 H ARG A 23 35.745 -29.867 -21.915 1.00 0.00 H new ATOM 0 HA ARG A 23 34.622 -32.171 -20.767 1.00 0.00 H new ATOM 0 HB2 ARG A 23 36.619 -31.531 -22.903 1.00 0.00 H new ATOM 0 HB3 ARG A 23 36.678 -33.156 -22.249 1.00 0.00 H new ATOM 0 HG2 ARG A 23 34.147 -31.819 -23.318 1.00 0.00 H new ATOM 0 HG3 ARG A 23 35.143 -32.929 -24.239 1.00 0.00 H new ATOM 0 HD2 ARG A 23 34.307 -33.932 -21.552 1.00 0.00 H new ATOM 0 HD3 ARG A 23 32.995 -33.697 -22.690 1.00 0.00 H new ATOM 0 HE ARG A 23 35.121 -35.051 -24.068 1.00 0.00 H new ATOM 0 HH11 ARG A 23 32.764 -35.618 -21.478 1.00 0.00 H new ATOM 0 HH12 ARG A 23 32.695 -37.361 -21.759 1.00 0.00 H new ATOM 0 HH21 ARG A 23 35.031 -37.304 -24.433 1.00 0.00 H new ATOM 0 HH22 ARG A 23 33.982 -38.318 -23.437 1.00 0.00 H new ATOM 368 N ASP A 24 37.347 -31.193 -19.455 1.00 0.00 N ATOM 369 CA ASP A 24 38.358 -31.450 -18.444 1.00 0.00 C ATOM 370 C ASP A 24 38.082 -30.576 -17.218 1.00 0.00 C ATOM 371 O ASP A 24 39.011 -30.152 -16.532 1.00 0.00 O ATOM 372 CB ASP A 24 39.756 -31.108 -18.963 1.00 0.00 C ATOM 373 CG ASP A 24 39.874 -29.748 -19.655 1.00 0.00 C ATOM 374 OD1 ASP A 24 39.650 -28.735 -18.958 1.00 0.00 O ATOM 375 OD2 ASP A 24 40.186 -29.753 -20.866 1.00 0.00 O ATOM 0 H ASP A 24 37.254 -30.214 -19.726 1.00 0.00 H new ATOM 0 HA ASP A 24 38.317 -32.509 -18.189 1.00 0.00 H new ATOM 0 HB2 ASP A 24 40.454 -31.135 -18.127 1.00 0.00 H new ATOM 0 HB3 ASP A 24 40.067 -31.883 -19.663 1.00 0.00 H new ATOM 380 N GLN A 25 36.801 -30.332 -16.983 1.00 0.00 N ATOM 381 CA GLN A 25 36.391 -29.516 -15.853 1.00 0.00 C ATOM 382 C GLN A 25 35.471 -30.314 -14.927 1.00 0.00 C ATOM 383 O GLN A 25 34.350 -30.654 -15.302 1.00 0.00 O ATOM 384 CB GLN A 25 35.712 -28.228 -16.323 1.00 0.00 C ATOM 385 CG GLN A 25 36.537 -26.999 -15.938 1.00 0.00 C ATOM 386 CD GLN A 25 35.823 -25.709 -16.344 1.00 0.00 C ATOM 387 OE1 GLN A 25 34.817 -25.320 -15.775 1.00 0.00 O ATOM 388 NE2 GLN A 25 36.398 -25.069 -17.359 1.00 0.00 N ATOM 0 H GLN A 25 36.034 -30.685 -17.555 1.00 0.00 H new ATOM 0 HA GLN A 25 37.282 -29.234 -15.293 1.00 0.00 H new ATOM 0 HB2 GLN A 25 35.580 -28.257 -17.405 1.00 0.00 H new ATOM 0 HB3 GLN A 25 34.718 -28.155 -15.882 1.00 0.00 H new ATOM 0 HG2 GLN A 25 36.714 -26.998 -14.862 1.00 0.00 H new ATOM 0 HG3 GLN A 25 37.513 -27.046 -16.421 1.00 0.00 H new ATOM 0 HE21 GLN A 25 37.240 -25.450 -17.791 1.00 0.00 H new ATOM 0 HE22 GLN A 25 35.997 -24.197 -17.705 1.00 0.00 H new ATOM 397 N CYS A 26 35.980 -30.592 -13.735 1.00 0.00 N ATOM 398 CA CYS A 26 35.217 -31.345 -12.753 1.00 0.00 C ATOM 399 C CYS A 26 33.837 -30.698 -12.618 1.00 0.00 C ATOM 400 O CYS A 26 33.730 -29.488 -12.427 1.00 0.00 O ATOM 401 CB CYS A 26 35.946 -31.422 -11.409 1.00 0.00 C ATOM 402 SG CYS A 26 34.910 -32.304 -10.186 1.00 0.00 S ATOM 0 H CYS A 26 36.911 -30.310 -13.427 1.00 0.00 H new ATOM 0 HA CYS A 26 35.102 -32.375 -13.089 1.00 0.00 H new ATOM 0 HB2 CYS A 26 36.898 -31.938 -11.531 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.172 -30.418 -11.050 1.00 0.00 H new ATOM 407 N ALA A 27 32.815 -31.534 -12.723 1.00 0.00 N ATOM 408 CA ALA A 27 31.446 -31.059 -12.616 1.00 0.00 C ATOM 409 C ALA A 27 30.944 -31.284 -11.188 1.00 0.00 C ATOM 410 O ALA A 27 29.767 -31.573 -10.978 1.00 0.00 O ATOM 411 CB ALA A 27 30.577 -31.766 -13.658 1.00 0.00 C ATOM 0 H ALA A 27 32.907 -32.537 -12.881 1.00 0.00 H new ATOM 0 HA ALA A 27 31.393 -29.990 -12.820 1.00 0.00 H new ATOM 0 HB1 ALA A 27 29.550 -31.410 -13.578 1.00 0.00 H new ATOM 0 HB2 ALA A 27 30.959 -31.551 -14.656 1.00 0.00 H new ATOM 0 HB3 ALA A 27 30.602 -32.842 -13.484 1.00 0.00 H new ATOM 417 N TYR A 28 31.862 -31.143 -10.243 1.00 0.00 N ATOM 418 CA TYR A 28 31.527 -31.328 -8.840 1.00 0.00 C ATOM 419 C TYR A 28 32.030 -30.154 -7.998 1.00 0.00 C ATOM 420 O TYR A 28 31.240 -29.461 -7.357 1.00 0.00 O ATOM 421 CB TYR A 28 32.248 -32.603 -8.399 1.00 0.00 C ATOM 422 CG TYR A 28 31.623 -33.280 -7.178 1.00 0.00 C ATOM 423 CD1 TYR A 28 30.417 -33.940 -7.296 1.00 0.00 C ATOM 424 CD2 TYR A 28 32.264 -33.230 -5.957 1.00 0.00 C ATOM 425 CE1 TYR A 28 29.828 -34.577 -6.146 1.00 0.00 C ATOM 426 CE2 TYR A 28 31.677 -33.866 -4.807 1.00 0.00 C ATOM 427 CZ TYR A 28 30.487 -34.509 -4.959 1.00 0.00 C ATOM 428 OH TYR A 28 29.931 -35.110 -3.873 1.00 0.00 O ATOM 0 H TYR A 28 32.837 -30.903 -10.421 1.00 0.00 H new ATOM 0 HA TYR A 28 30.447 -31.392 -8.708 1.00 0.00 H new ATOM 0 HB2 TYR A 28 32.256 -33.309 -9.229 1.00 0.00 H new ATOM 0 HB3 TYR A 28 33.287 -32.362 -8.176 1.00 0.00 H new ATOM 0 HD1 TYR A 28 29.914 -33.979 -8.251 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.208 -32.713 -5.864 1.00 0.00 H new ATOM 0 HE1 TYR A 28 28.885 -35.097 -6.225 1.00 0.00 H new ATOM 0 HE2 TYR A 28 32.169 -33.834 -3.846 1.00 0.00 H new ATOM 0 HH TYR A 28 30.512 -34.981 -3.095 1.00 0.00 H new ATOM 438 N CYS A 29 33.341 -29.966 -8.026 1.00 0.00 N ATOM 439 CA CYS A 29 33.959 -28.888 -7.272 1.00 0.00 C ATOM 440 C CYS A 29 34.241 -27.731 -8.233 1.00 0.00 C ATOM 441 O CYS A 29 34.407 -26.590 -7.804 1.00 0.00 O ATOM 442 CB CYS A 29 35.226 -29.354 -6.552 1.00 0.00 C ATOM 443 SG CYS A 29 36.481 -29.883 -7.775 1.00 0.00 S ATOM 0 H CYS A 29 33.993 -30.542 -8.559 1.00 0.00 H new ATOM 0 HA CYS A 29 33.279 -28.552 -6.489 1.00 0.00 H new ATOM 0 HB2 CYS A 29 35.623 -28.546 -5.937 1.00 0.00 H new ATOM 0 HB3 CYS A 29 34.990 -30.179 -5.880 1.00 0.00 H new ATOM 448 N LYS A 30 34.287 -28.065 -9.514 1.00 0.00 N ATOM 449 CA LYS A 30 34.547 -27.069 -10.539 1.00 0.00 C ATOM 450 C LYS A 30 36.056 -26.957 -10.765 1.00 0.00 C ATOM 451 O LYS A 30 36.541 -25.933 -11.242 1.00 0.00 O ATOM 452 CB LYS A 30 33.880 -25.740 -10.175 1.00 0.00 C ATOM 453 CG LYS A 30 32.505 -25.971 -9.544 1.00 0.00 C ATOM 454 CD LYS A 30 31.425 -25.171 -10.275 1.00 0.00 C ATOM 455 CE LYS A 30 30.458 -26.100 -11.010 1.00 0.00 C ATOM 456 NZ LYS A 30 29.243 -25.362 -11.421 1.00 0.00 N ATOM 0 H LYS A 30 34.148 -29.012 -9.866 1.00 0.00 H new ATOM 0 HA LYS A 30 34.104 -27.374 -11.487 1.00 0.00 H new ATOM 0 HB2 LYS A 30 34.515 -25.189 -9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 30 33.775 -25.125 -11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.260 -27.033 -9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.529 -25.681 -8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 30 30.875 -24.559 -9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 30 31.891 -24.489 -10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 30 30.947 -26.524 -11.887 1.00 0.00 H new ATOM 0 HE3 LYS A 30 30.183 -26.934 -10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 28.597 -26.007 -11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.768 -24.978 -10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 29.509 -24.581 -12.055 1.00 0.00 H new ATOM 470 N GLU A 31 36.755 -28.026 -10.412 1.00 0.00 N ATOM 471 CA GLU A 31 38.199 -28.061 -10.572 1.00 0.00 C ATOM 472 C GLU A 31 38.568 -28.648 -11.936 1.00 0.00 C ATOM 473 O GLU A 31 38.117 -29.735 -12.290 1.00 0.00 O ATOM 474 CB GLU A 31 38.856 -28.852 -9.439 1.00 0.00 C ATOM 475 CG GLU A 31 40.382 -28.757 -9.518 1.00 0.00 C ATOM 476 CD GLU A 31 40.928 -27.817 -8.441 1.00 0.00 C ATOM 477 OE1 GLU A 31 40.967 -26.598 -8.718 1.00 0.00 O ATOM 478 OE2 GLU A 31 41.296 -28.337 -7.366 1.00 0.00 O ATOM 0 H GLU A 31 36.349 -28.874 -10.016 1.00 0.00 H new ATOM 0 HA GLU A 31 38.576 -27.039 -10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 31 38.513 -28.470 -8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 31 38.550 -29.897 -9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 31 40.819 -29.748 -9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 31 40.677 -28.397 -10.504 1.00 0.00 H new ATOM 485 N LYS A 32 39.386 -27.901 -12.663 1.00 0.00 N ATOM 486 CA LYS A 32 39.821 -28.334 -13.981 1.00 0.00 C ATOM 487 C LYS A 32 41.095 -29.171 -13.843 1.00 0.00 C ATOM 488 O LYS A 32 42.068 -28.730 -13.234 1.00 0.00 O ATOM 489 CB LYS A 32 39.974 -27.132 -14.916 1.00 0.00 C ATOM 490 CG LYS A 32 41.123 -26.229 -14.465 1.00 0.00 C ATOM 491 CD LYS A 32 40.639 -24.793 -14.247 1.00 0.00 C ATOM 492 CE LYS A 32 40.920 -23.928 -15.476 1.00 0.00 C ATOM 493 NZ LYS A 32 40.975 -22.496 -15.101 1.00 0.00 N ATOM 0 H LYS A 32 39.759 -27.000 -12.365 1.00 0.00 H new ATOM 0 HA LYS A 32 39.067 -28.973 -14.441 1.00 0.00 H new ATOM 0 HB2 LYS A 32 40.157 -27.479 -15.933 1.00 0.00 H new ATOM 0 HB3 LYS A 32 39.045 -26.562 -14.936 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.553 -26.616 -13.541 1.00 0.00 H new ATOM 0 HG3 LYS A 32 41.915 -26.240 -15.214 1.00 0.00 H new ATOM 0 HD2 LYS A 32 39.570 -24.794 -14.035 1.00 0.00 H new ATOM 0 HD3 LYS A 32 41.136 -24.366 -13.376 1.00 0.00 H new ATOM 0 HE2 LYS A 32 41.864 -24.227 -15.931 1.00 0.00 H new ATOM 0 HE3 LYS A 32 40.143 -24.085 -16.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 41.167 -21.923 -15.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 40.064 -22.210 -14.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 41.733 -22.349 -14.404 1.00 0.00 H new ATOM 507 N GLY A 33 41.045 -30.363 -14.418 1.00 0.00 N ATOM 508 CA GLY A 33 42.182 -31.266 -14.368 1.00 0.00 C ATOM 509 C GLY A 33 41.735 -32.693 -14.044 1.00 0.00 C ATOM 510 O GLY A 33 42.230 -33.651 -14.637 1.00 0.00 O ATOM 0 H GLY A 33 40.235 -30.725 -14.921 1.00 0.00 H new ATOM 0 HA2 GLY A 33 42.704 -31.253 -15.325 1.00 0.00 H new ATOM 0 HA3 GLY A 33 42.891 -30.923 -13.614 1.00 0.00 H new ATOM 514 N HIS A 34 40.806 -32.790 -13.106 1.00 0.00 N ATOM 515 CA HIS A 34 40.286 -34.083 -12.697 1.00 0.00 C ATOM 516 C HIS A 34 38.793 -34.161 -13.018 1.00 0.00 C ATOM 517 O HIS A 34 38.121 -33.136 -13.120 1.00 0.00 O ATOM 518 CB HIS A 34 40.591 -34.350 -11.222 1.00 0.00 C ATOM 519 CG HIS A 34 39.768 -33.519 -10.265 1.00 0.00 C ATOM 520 ND1 HIS A 34 40.291 -32.449 -9.562 1.00 0.00 N ATOM 521 CD2 HIS A 34 38.456 -33.613 -9.905 1.00 0.00 C ATOM 522 CE1 HIS A 34 39.328 -31.929 -8.814 1.00 0.00 C ATOM 523 NE2 HIS A 34 38.192 -32.653 -9.028 1.00 0.00 N ATOM 0 H HIS A 34 40.399 -31.993 -12.617 1.00 0.00 H new ATOM 0 HA HIS A 34 40.784 -34.873 -13.259 1.00 0.00 H new ATOM 0 HB2 HIS A 34 40.419 -35.406 -11.011 1.00 0.00 H new ATOM 0 HB3 HIS A 34 41.648 -34.156 -11.039 1.00 0.00 H new ATOM 0 HD1 HIS A 34 41.254 -32.116 -9.611 1.00 0.00 H new ATOM 0 HD2 HIS A 34 37.751 -34.345 -10.272 1.00 0.00 H new ATOM 0 HE1 HIS A 34 39.426 -31.081 -8.152 1.00 0.00 H new ATOM 531 N TRP A 35 38.315 -35.389 -13.169 1.00 0.00 N ATOM 532 CA TRP A 35 36.914 -35.615 -13.475 1.00 0.00 C ATOM 533 C TRP A 35 36.153 -35.734 -12.153 1.00 0.00 C ATOM 534 O TRP A 35 36.737 -36.076 -11.126 1.00 0.00 O ATOM 535 CB TRP A 35 36.739 -36.838 -14.377 1.00 0.00 C ATOM 536 CG TRP A 35 36.729 -36.512 -15.872 1.00 0.00 C ATOM 537 CD1 TRP A 35 37.421 -35.562 -16.515 1.00 0.00 C ATOM 538 CD2 TRP A 35 35.956 -37.181 -16.891 1.00 0.00 C ATOM 539 NE1 TRP A 35 37.151 -35.568 -17.868 1.00 0.00 N ATOM 540 CE2 TRP A 35 36.233 -36.584 -18.105 1.00 0.00 C ATOM 541 CE3 TRP A 35 35.053 -38.253 -16.792 1.00 0.00 C ATOM 542 CZ2 TRP A 35 35.649 -36.991 -19.311 1.00 0.00 C ATOM 543 CZ3 TRP A 35 34.478 -38.649 -18.006 1.00 0.00 C ATOM 544 CH2 TRP A 35 34.746 -38.058 -19.235 1.00 0.00 C ATOM 0 H TRP A 35 38.875 -36.237 -13.085 1.00 0.00 H new ATOM 0 HA TRP A 35 36.504 -34.777 -14.038 1.00 0.00 H new ATOM 0 HB2 TRP A 35 37.544 -37.544 -14.175 1.00 0.00 H new ATOM 0 HB3 TRP A 35 35.805 -37.337 -14.118 1.00 0.00 H new ATOM 0 HD1 TRP A 35 38.104 -34.877 -16.035 1.00 0.00 H new ATOM 0 HE1 TRP A 35 37.552 -34.942 -18.566 1.00 0.00 H new ATOM 0 HE3 TRP A 35 34.821 -38.734 -15.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 35.882 -36.508 -20.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 33.778 -39.471 -17.986 1.00 0.00 H new ATOM 0 HH2 TRP A 35 34.259 -38.421 -20.128 1.00 0.00 H new ATOM 555 N ALA A 36 34.862 -35.445 -12.221 1.00 0.00 N ATOM 556 CA ALA A 36 34.015 -35.515 -11.042 1.00 0.00 C ATOM 557 C ALA A 36 34.062 -36.935 -10.471 1.00 0.00 C ATOM 558 O ALA A 36 34.020 -37.119 -9.256 1.00 0.00 O ATOM 559 CB ALA A 36 32.595 -35.080 -11.406 1.00 0.00 C ATOM 0 H ALA A 36 34.381 -35.162 -13.075 1.00 0.00 H new ATOM 0 HA ALA A 36 34.375 -34.836 -10.269 1.00 0.00 H new ATOM 0 HB1 ALA A 36 31.960 -35.133 -10.521 1.00 0.00 H new ATOM 0 HB2 ALA A 36 32.613 -34.056 -11.779 1.00 0.00 H new ATOM 0 HB3 ALA A 36 32.198 -35.741 -12.177 1.00 0.00 H new ATOM 565 N LYS A 37 34.149 -37.899 -11.375 1.00 0.00 N ATOM 566 CA LYS A 37 34.202 -39.296 -10.975 1.00 0.00 C ATOM 567 C LYS A 37 35.464 -39.537 -10.146 1.00 0.00 C ATOM 568 O LYS A 37 35.566 -40.540 -9.441 1.00 0.00 O ATOM 569 CB LYS A 37 34.084 -40.207 -12.198 1.00 0.00 C ATOM 570 CG LYS A 37 32.651 -40.230 -12.729 1.00 0.00 C ATOM 571 CD LYS A 37 32.201 -41.661 -13.032 1.00 0.00 C ATOM 572 CE LYS A 37 32.129 -41.907 -14.540 1.00 0.00 C ATOM 573 NZ LYS A 37 33.450 -42.324 -15.060 1.00 0.00 N ATOM 0 H LYS A 37 34.184 -37.741 -12.382 1.00 0.00 H new ATOM 0 HA LYS A 37 33.352 -39.544 -10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 37 34.760 -39.861 -12.980 1.00 0.00 H new ATOM 0 HB3 LYS A 37 34.394 -41.218 -11.934 1.00 0.00 H new ATOM 0 HG2 LYS A 37 31.981 -39.782 -11.996 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.585 -39.625 -13.633 1.00 0.00 H new ATOM 0 HD2 LYS A 37 32.895 -42.368 -12.578 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.224 -41.841 -12.584 1.00 0.00 H new ATOM 0 HE2 LYS A 37 31.388 -42.677 -14.754 1.00 0.00 H new ATOM 0 HE3 LYS A 37 31.802 -41.000 -15.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 33.384 -42.487 -16.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 34.149 -41.577 -14.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 33.747 -43.202 -14.588 1.00 0.00 H new ATOM 587 N ASP A 38 36.397 -38.602 -10.260 1.00 0.00 N ATOM 588 CA ASP A 38 37.649 -38.701 -9.530 1.00 0.00 C ATOM 589 C ASP A 38 37.888 -37.402 -8.759 1.00 0.00 C ATOM 590 O ASP A 38 39.031 -36.985 -8.577 1.00 0.00 O ATOM 591 CB ASP A 38 38.827 -38.909 -10.484 1.00 0.00 C ATOM 592 CG ASP A 38 39.939 -39.814 -9.950 1.00 0.00 C ATOM 593 OD1 ASP A 38 40.239 -40.811 -10.641 1.00 0.00 O ATOM 594 OD2 ASP A 38 40.464 -39.487 -8.864 1.00 0.00 O ATOM 0 H ASP A 38 36.310 -37.772 -10.847 1.00 0.00 H new ATOM 0 HA ASP A 38 37.579 -39.552 -8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.451 -39.332 -11.415 1.00 0.00 H new ATOM 0 HB3 ASP A 38 39.255 -37.936 -10.726 1.00 0.00 H new ATOM 599 N CYS A 39 36.791 -36.798 -8.324 1.00 0.00 N ATOM 600 CA CYS A 39 36.868 -35.555 -7.576 1.00 0.00 C ATOM 601 C CYS A 39 37.493 -35.854 -6.212 1.00 0.00 C ATOM 602 O CYS A 39 37.038 -36.745 -5.498 1.00 0.00 O ATOM 603 CB CYS A 39 35.497 -34.890 -7.443 1.00 0.00 C ATOM 604 SG CYS A 39 35.661 -33.286 -6.579 1.00 0.00 S ATOM 0 H CYS A 39 35.845 -37.147 -8.476 1.00 0.00 H new ATOM 0 HA CYS A 39 37.494 -34.842 -8.113 1.00 0.00 H new ATOM 0 HB2 CYS A 39 35.060 -34.738 -8.430 1.00 0.00 H new ATOM 0 HB3 CYS A 39 34.819 -35.542 -6.892 1.00 0.00 H new ATOM 609 N PRO A 40 38.555 -35.069 -5.882 1.00 0.00 N ATOM 610 CA PRO A 40 39.246 -35.240 -4.616 1.00 0.00 C ATOM 611 C PRO A 40 38.422 -34.672 -3.459 1.00 0.00 C ATOM 612 O PRO A 40 38.616 -35.054 -2.306 1.00 0.00 O ATOM 613 CB PRO A 40 40.580 -34.534 -4.798 1.00 0.00 C ATOM 614 CG PRO A 40 40.399 -33.601 -5.985 1.00 0.00 C ATOM 615 CD PRO A 40 39.121 -34.002 -6.702 1.00 0.00 C ATOM 0 HA PRO A 40 39.397 -36.288 -4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 40 40.853 -33.977 -3.902 1.00 0.00 H new ATOM 0 HB3 PRO A 40 41.380 -35.251 -4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 40 40.340 -32.565 -5.651 1.00 0.00 H new ATOM 0 HG3 PRO A 40 41.253 -33.671 -6.659 1.00 0.00 H new ATOM 0 HD2 PRO A 40 38.434 -33.160 -6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 40 39.327 -34.348 -7.715 1.00 0.00 H new ATOM 623 N LYS A 41 37.519 -33.767 -3.807 1.00 0.00 N ATOM 624 CA LYS A 41 36.664 -33.141 -2.812 1.00 0.00 C ATOM 625 C LYS A 41 35.550 -34.113 -2.419 1.00 0.00 C ATOM 626 O LYS A 41 34.779 -33.842 -1.501 1.00 0.00 O ATOM 627 CB LYS A 41 36.151 -31.792 -3.318 1.00 0.00 C ATOM 628 CG LYS A 41 35.505 -30.991 -2.185 1.00 0.00 C ATOM 629 CD LYS A 41 34.056 -30.636 -2.525 1.00 0.00 C ATOM 630 CE LYS A 41 33.087 -31.663 -1.937 1.00 0.00 C ATOM 631 NZ LYS A 41 31.720 -31.103 -1.861 1.00 0.00 N ATOM 0 H LYS A 41 37.361 -33.452 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 41 37.231 -32.922 -1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 41 36.976 -31.223 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 41 35.425 -31.951 -4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 41 35.535 -31.570 -1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 41 36.075 -30.079 -2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 41 33.820 -29.645 -2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 41 33.933 -30.593 -3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 41 33.084 -32.563 -2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 41 33.421 -31.959 -0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 31.446 -30.990 -0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 31.697 -30.177 -2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 31.054 -31.748 -2.332 1.00 0.00 H new ATOM 645 N LYS A 42 35.501 -35.228 -3.135 1.00 0.00 N ATOM 646 CA LYS A 42 34.494 -36.242 -2.873 1.00 0.00 C ATOM 647 C LYS A 42 34.923 -37.080 -1.667 1.00 0.00 C ATOM 648 O LYS A 42 36.114 -37.204 -1.385 1.00 0.00 O ATOM 649 CB LYS A 42 34.226 -37.069 -4.132 1.00 0.00 C ATOM 650 CG LYS A 42 32.787 -36.875 -4.618 1.00 0.00 C ATOM 651 CD LYS A 42 32.346 -38.043 -5.502 1.00 0.00 C ATOM 652 CE LYS A 42 32.600 -37.740 -6.980 1.00 0.00 C ATOM 653 NZ LYS A 42 31.902 -38.721 -7.839 1.00 0.00 N ATOM 0 H LYS A 42 36.143 -35.451 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 42 33.542 -35.777 -2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 42 34.922 -36.777 -4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 42 34.405 -38.124 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 42 32.118 -36.790 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 42 32.710 -35.942 -5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 42 32.886 -38.945 -5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 42 31.286 -38.242 -5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.256 -36.733 -7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 42 33.670 -37.767 -7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 31.525 -38.239 -8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 32.570 -39.461 -8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 31.120 -39.153 -7.307 1.00 0.00 H new ATOM 667 N PRO A 43 33.903 -37.649 -0.971 1.00 0.00 N ATOM 668 CA PRO A 43 34.162 -38.473 0.198 1.00 0.00 C ATOM 669 C PRO A 43 34.698 -39.847 -0.207 1.00 0.00 C ATOM 670 O PRO A 43 34.164 -40.482 -1.115 1.00 0.00 O ATOM 671 CB PRO A 43 32.832 -38.546 0.931 1.00 0.00 C ATOM 672 CG PRO A 43 31.774 -38.154 -0.087 1.00 0.00 C ATOM 673 CD PRO A 43 32.480 -37.524 -1.276 1.00 0.00 C ATOM 0 HA PRO A 43 34.935 -38.056 0.844 1.00 0.00 H new ATOM 0 HB2 PRO A 43 32.652 -39.550 1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 43 32.820 -37.871 1.787 1.00 0.00 H new ATOM 0 HG2 PRO A 43 31.204 -39.029 -0.401 1.00 0.00 H new ATOM 0 HG3 PRO A 43 31.065 -37.452 0.351 1.00 0.00 H new ATOM 0 HD2 PRO A 43 32.227 -38.037 -2.204 1.00 0.00 H new ATOM 0 HD3 PRO A 43 32.192 -36.480 -1.400 1.00 0.00 H new ATOM 681 N ARG A 44 35.747 -40.266 0.486 1.00 0.00 N ATOM 682 CA ARG A 44 36.360 -41.554 0.209 1.00 0.00 C ATOM 683 C ARG A 44 35.914 -42.588 1.244 1.00 0.00 C ATOM 684 O ARG A 44 36.118 -42.400 2.443 1.00 0.00 O ATOM 685 CB ARG A 44 37.888 -41.451 0.227 1.00 0.00 C ATOM 686 CG ARG A 44 38.523 -42.587 -0.577 1.00 0.00 C ATOM 687 CD ARG A 44 39.925 -42.911 -0.057 1.00 0.00 C ATOM 688 NE ARG A 44 40.914 -41.994 -0.666 1.00 0.00 N ATOM 689 CZ ARG A 44 41.408 -42.136 -1.904 1.00 0.00 C ATOM 690 NH1 ARG A 44 41.007 -43.158 -2.672 1.00 0.00 N ATOM 691 NH2 ARG A 44 42.303 -41.257 -2.373 1.00 0.00 N ATOM 0 H ARG A 44 36.188 -39.737 1.238 1.00 0.00 H new ATOM 0 HA ARG A 44 36.039 -41.868 -0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 44 38.196 -40.491 -0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 44 38.246 -41.484 1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 44 37.895 -43.476 -0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 44 38.577 -42.306 -1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 44 39.950 -42.817 1.029 1.00 0.00 H new ATOM 0 HD3 ARG A 44 40.180 -43.944 -0.294 1.00 0.00 H new ATOM 0 HE ARG A 44 41.240 -41.204 -0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 44 40.326 -43.828 -2.315 1.00 0.00 H new ATOM 0 HH12 ARG A 44 41.383 -43.266 -3.614 1.00 0.00 H new ATOM 0 HH21 ARG A 44 42.609 -40.479 -1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 44 42.679 -41.365 -3.315 1.00 0.00 H new ATOM 705 N GLY A 45 35.314 -43.657 0.745 1.00 0.00 N ATOM 706 CA GLY A 45 34.837 -44.722 1.611 1.00 0.00 C ATOM 707 C GLY A 45 33.310 -44.701 1.716 1.00 0.00 C ATOM 708 O GLY A 45 32.657 -43.831 1.142 1.00 0.00 O ATOM 0 H GLY A 45 35.147 -43.809 -0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 45 35.165 -45.686 1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 45 35.275 -44.612 2.603 1.00 0.00 H new ATOM 712 N PRO A 46 32.773 -45.694 2.474 1.00 0.00 N ATOM 713 CA PRO A 46 33.618 -46.683 3.120 1.00 0.00 C ATOM 714 C PRO A 46 34.149 -47.698 2.105 1.00 0.00 C ATOM 715 O PRO A 46 33.690 -47.738 0.964 1.00 0.00 O ATOM 716 CB PRO A 46 32.739 -47.316 4.187 1.00 0.00 C ATOM 717 CG PRO A 46 31.307 -46.989 3.795 1.00 0.00 C ATOM 718 CD PRO A 46 31.351 -45.900 2.735 1.00 0.00 C ATOM 0 HA PRO A 46 34.511 -46.245 3.566 1.00 0.00 H new ATOM 0 HB2 PRO A 46 32.895 -48.394 4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 46 32.974 -46.918 5.174 1.00 0.00 H new ATOM 0 HG2 PRO A 46 30.804 -47.876 3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 46 30.741 -46.654 4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 46 30.823 -46.205 1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 46 30.876 -44.984 3.088 1.00 0.00 H new ATOM 726 N ARG A 47 35.108 -48.492 2.556 1.00 0.00 N ATOM 727 CA ARG A 47 35.706 -49.504 1.701 1.00 0.00 C ATOM 728 C ARG A 47 34.629 -50.186 0.854 1.00 0.00 C ATOM 729 O ARG A 47 33.588 -50.586 1.371 1.00 0.00 O ATOM 730 CB ARG A 47 36.439 -50.562 2.530 1.00 0.00 C ATOM 731 CG ARG A 47 37.924 -50.221 2.661 1.00 0.00 C ATOM 732 CD ARG A 47 38.555 -50.963 3.841 1.00 0.00 C ATOM 733 NE ARG A 47 40.021 -50.761 3.841 1.00 0.00 N ATOM 734 CZ ARG A 47 40.885 -51.529 4.520 1.00 0.00 C ATOM 735 NH1 ARG A 47 40.435 -52.553 5.257 1.00 0.00 N ATOM 736 NH2 ARG A 47 42.199 -51.270 4.462 1.00 0.00 N ATOM 0 H ARG A 47 35.486 -48.456 3.503 1.00 0.00 H new ATOM 0 HA ARG A 47 36.425 -49.006 1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 47 35.989 -50.630 3.520 1.00 0.00 H new ATOM 0 HB3 ARG A 47 36.326 -51.539 2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 47 38.444 -50.486 1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 47 38.043 -49.146 2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 47 38.130 -50.602 4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 47 38.326 -52.027 3.776 1.00 0.00 H new ATOM 0 HE ARG A 47 40.398 -49.989 3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 47 39.435 -52.749 5.302 1.00 0.00 H new ATOM 0 HH12 ARG A 47 41.092 -53.137 5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 47 42.541 -50.489 3.902 1.00 0.00 H new ATOM 0 HH22 ARG A 47 42.857 -51.854 4.978 1.00 0.00 H new ATOM 750 N GLY A 48 34.919 -50.298 -0.435 1.00 0.00 N ATOM 751 CA GLY A 48 33.990 -50.924 -1.359 1.00 0.00 C ATOM 752 C GLY A 48 34.321 -52.406 -1.549 1.00 0.00 C ATOM 753 O GLY A 48 35.482 -52.803 -1.460 1.00 0.00 O ATOM 0 H GLY A 48 35.784 -49.965 -0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 48 32.972 -50.820 -0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 48 34.028 -50.413 -2.321 1.00 0.00 H new ATOM 757 N PRO A 49 33.252 -53.205 -1.816 1.00 0.00 N ATOM 758 CA PRO A 49 33.418 -54.634 -2.019 1.00 0.00 C ATOM 759 C PRO A 49 34.022 -54.925 -3.395 1.00 0.00 C ATOM 760 O PRO A 49 34.466 -54.011 -4.088 1.00 0.00 O ATOM 761 CB PRO A 49 32.026 -55.220 -1.845 1.00 0.00 C ATOM 762 CG PRO A 49 31.061 -54.057 -2.012 1.00 0.00 C ATOM 763 CD PRO A 49 31.864 -52.769 -1.929 1.00 0.00 C ATOM 0 HA PRO A 49 34.115 -55.082 -1.311 1.00 0.00 H new ATOM 0 HB2 PRO A 49 31.834 -55.997 -2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 49 31.916 -55.681 -0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 49 30.545 -54.124 -2.970 1.00 0.00 H new ATOM 0 HG3 PRO A 49 30.296 -54.081 -1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 49 31.714 -52.151 -2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 49 31.565 -52.171 -1.068 1.00 0.00 H new ATOM 771 N ARG A 50 34.020 -56.202 -3.747 1.00 0.00 N ATOM 772 CA ARG A 50 34.562 -56.625 -5.027 1.00 0.00 C ATOM 773 C ARG A 50 33.456 -57.215 -5.904 1.00 0.00 C ATOM 774 O ARG A 50 33.139 -58.398 -5.798 1.00 0.00 O ATOM 775 CB ARG A 50 35.666 -57.669 -4.840 1.00 0.00 C ATOM 776 CG ARG A 50 36.866 -57.072 -4.101 1.00 0.00 C ATOM 777 CD ARG A 50 37.817 -58.171 -3.624 1.00 0.00 C ATOM 778 NE ARG A 50 39.090 -57.573 -3.164 1.00 0.00 N ATOM 779 CZ ARG A 50 40.101 -57.239 -3.978 1.00 0.00 C ATOM 780 NH1 ARG A 50 39.994 -57.443 -5.298 1.00 0.00 N ATOM 781 NH2 ARG A 50 41.220 -56.701 -3.472 1.00 0.00 N ATOM 0 H ARG A 50 33.652 -56.957 -3.169 1.00 0.00 H new ATOM 0 HA ARG A 50 34.986 -55.747 -5.513 1.00 0.00 H new ATOM 0 HB2 ARG A 50 35.276 -58.519 -4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 50 35.984 -58.046 -5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 50 37.399 -56.386 -4.759 1.00 0.00 H new ATOM 0 HG3 ARG A 50 36.519 -56.490 -3.247 1.00 0.00 H new ATOM 0 HD2 ARG A 50 37.357 -58.735 -2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 50 38.008 -58.875 -4.434 1.00 0.00 H new ATOM 0 HE ARG A 50 39.205 -57.404 -2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 50 39.143 -57.853 -5.683 1.00 0.00 H new ATOM 0 HH12 ARG A 50 40.763 -57.189 -5.917 1.00 0.00 H new ATOM 0 HH21 ARG A 50 41.302 -56.546 -2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 50 41.989 -56.447 -4.092 1.00 0.00 H new ATOM 795 N PRO A 51 32.883 -56.339 -6.773 1.00 0.00 N ATOM 796 CA PRO A 51 31.818 -56.760 -7.668 1.00 0.00 C ATOM 797 C PRO A 51 32.372 -57.599 -8.822 1.00 0.00 C ATOM 798 O PRO A 51 31.766 -58.593 -9.219 1.00 0.00 O ATOM 799 CB PRO A 51 31.161 -55.472 -8.131 1.00 0.00 C ATOM 800 CG PRO A 51 32.166 -54.367 -7.852 1.00 0.00 C ATOM 801 CD PRO A 51 33.232 -54.930 -6.927 1.00 0.00 C ATOM 0 HA PRO A 51 31.090 -57.409 -7.181 1.00 0.00 H new ATOM 0 HB2 PRO A 51 30.916 -55.518 -9.192 1.00 0.00 H new ATOM 0 HB3 PRO A 51 30.228 -55.295 -7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 51 32.614 -54.015 -8.781 1.00 0.00 H new ATOM 0 HG3 PRO A 51 31.674 -53.511 -7.391 1.00 0.00 H new ATOM 0 HD2 PRO A 51 34.228 -54.813 -7.354 1.00 0.00 H new ATOM 0 HD3 PRO A 51 33.234 -54.415 -5.966 1.00 0.00 H new ATOM 809 N GLN A 52 33.518 -57.167 -9.329 1.00 0.00 N ATOM 810 CA GLN A 52 34.159 -57.865 -10.429 1.00 0.00 C ATOM 811 C GLN A 52 33.152 -58.129 -11.550 1.00 0.00 C ATOM 812 O GLN A 52 32.670 -59.250 -11.706 1.00 0.00 O ATOM 813 CB GLN A 52 34.802 -59.169 -9.952 1.00 0.00 C ATOM 814 CG GLN A 52 36.309 -58.996 -9.754 1.00 0.00 C ATOM 815 CD GLN A 52 37.049 -59.057 -11.092 1.00 0.00 C ATOM 816 OE1 GLN A 52 37.104 -60.080 -11.755 1.00 0.00 O ATOM 817 NE2 GLN A 52 37.611 -57.907 -11.452 1.00 0.00 N ATOM 0 H GLN A 52 34.018 -56.342 -8.998 1.00 0.00 H new ATOM 0 HA GLN A 52 34.953 -57.230 -10.822 1.00 0.00 H new ATOM 0 HB2 GLN A 52 34.342 -59.484 -9.015 1.00 0.00 H new ATOM 0 HB3 GLN A 52 34.615 -59.958 -10.680 1.00 0.00 H new ATOM 0 HG2 GLN A 52 36.508 -58.041 -9.268 1.00 0.00 H new ATOM 0 HG3 GLN A 52 36.684 -59.776 -9.091 1.00 0.00 H new ATOM 0 HE21 GLN A 52 37.527 -57.088 -10.850 1.00 0.00 H new ATOM 0 HE22 GLN A 52 38.126 -57.844 -12.330 1.00 0.00 H new ATOM 826 N THR A 53 32.863 -57.077 -12.303 1.00 0.00 N ATOM 827 CA THR A 53 31.922 -57.181 -13.405 1.00 0.00 C ATOM 828 C THR A 53 32.558 -56.671 -14.699 1.00 0.00 C ATOM 829 O THR A 53 32.466 -57.323 -15.739 1.00 0.00 O ATOM 830 CB THR A 53 30.651 -56.425 -13.013 1.00 0.00 C ATOM 831 OG1 THR A 53 29.848 -56.462 -14.190 1.00 0.00 O ATOM 832 CG2 THR A 53 30.904 -54.934 -12.782 1.00 0.00 C ATOM 0 H THR A 53 33.264 -56.149 -12.171 1.00 0.00 H new ATOM 0 HA THR A 53 31.653 -58.219 -13.600 1.00 0.00 H new ATOM 0 HB THR A 53 30.231 -56.866 -12.109 1.00 0.00 H new ATOM 0 HG1 THR A 53 29.002 -55.995 -14.024 1.00 0.00 H new ATOM 0 HG21 THR A 53 29.970 -54.445 -12.506 1.00 0.00 H new ATOM 0 HG22 THR A 53 31.630 -54.808 -11.979 1.00 0.00 H new ATOM 0 HG23 THR A 53 31.293 -54.485 -13.696 1.00 0.00 H new ATOM 840 N SER A 54 33.189 -55.511 -14.594 1.00 0.00 N ATOM 841 CA SER A 54 33.840 -54.907 -15.744 1.00 0.00 C ATOM 842 C SER A 54 32.812 -54.637 -16.846 1.00 0.00 C ATOM 843 O SER A 54 32.346 -55.566 -17.504 1.00 0.00 O ATOM 844 CB SER A 54 34.965 -55.799 -16.273 1.00 0.00 C ATOM 845 OG SER A 54 36.080 -55.039 -16.727 1.00 0.00 O ATOM 0 H SER A 54 33.263 -54.973 -13.730 1.00 0.00 H new ATOM 0 HA SER A 54 34.282 -53.962 -15.429 1.00 0.00 H new ATOM 0 HB2 SER A 54 35.287 -56.481 -15.486 1.00 0.00 H new ATOM 0 HB3 SER A 54 34.587 -56.412 -17.091 1.00 0.00 H new ATOM 0 HG SER A 54 36.777 -55.645 -17.055 1.00 0.00 H new ATOM 851 N LEU A 55 32.491 -53.363 -17.012 1.00 0.00 N ATOM 852 CA LEU A 55 31.529 -52.960 -18.023 1.00 0.00 C ATOM 853 C LEU A 55 32.210 -52.032 -19.030 1.00 0.00 C ATOM 854 O LEU A 55 32.118 -50.811 -18.917 1.00 0.00 O ATOM 855 CB LEU A 55 30.287 -52.350 -17.368 1.00 0.00 C ATOM 856 CG LEU A 55 29.071 -52.164 -18.277 1.00 0.00 C ATOM 857 CD1 LEU A 55 27.822 -51.826 -17.460 1.00 0.00 C ATOM 858 CD2 LEU A 55 29.349 -51.118 -19.358 1.00 0.00 C ATOM 0 H LEU A 55 32.880 -52.596 -16.463 1.00 0.00 H new ATOM 0 HA LEU A 55 31.175 -53.829 -18.578 1.00 0.00 H new ATOM 0 HB2 LEU A 55 29.995 -52.983 -16.530 1.00 0.00 H new ATOM 0 HB3 LEU A 55 30.559 -51.379 -16.955 1.00 0.00 H new ATOM 0 HG LEU A 55 28.877 -53.109 -18.785 1.00 0.00 H new ATOM 0 HD11 LEU A 55 26.972 -51.699 -18.130 1.00 0.00 H new ATOM 0 HD12 LEU A 55 27.615 -52.636 -16.761 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.989 -50.902 -16.906 1.00 0.00 H new ATOM 0 HD21 LEU A 55 28.468 -51.005 -19.990 1.00 0.00 H new ATOM 0 HD22 LEU A 55 29.583 -50.163 -18.888 1.00 0.00 H new ATOM 0 HD23 LEU A 55 30.194 -51.440 -19.967 1.00 0.00 H new ATOM 870 N LEU A 56 32.879 -52.648 -19.994 1.00 0.00 N ATOM 871 CA LEU A 56 33.577 -51.892 -21.020 1.00 0.00 C ATOM 872 C LEU A 56 32.746 -51.899 -22.306 1.00 0.00 C ATOM 873 O LEU A 56 33.287 -51.746 -23.400 1.00 0.00 O ATOM 874 CB LEU A 56 34.999 -52.426 -21.205 1.00 0.00 C ATOM 875 CG LEU A 56 36.127 -51.496 -20.753 1.00 0.00 C ATOM 876 CD1 LEU A 56 36.143 -50.209 -21.580 1.00 0.00 C ATOM 877 CD2 LEU A 56 36.035 -51.212 -19.252 1.00 0.00 C ATOM 0 H LEU A 56 32.952 -53.661 -20.086 1.00 0.00 H new ATOM 0 HA LEU A 56 33.689 -50.851 -20.717 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.088 -53.365 -20.658 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.145 -52.656 -22.260 1.00 0.00 H new ATOM 0 HG LEU A 56 37.077 -52.002 -20.928 1.00 0.00 H new ATOM 0 HD11 LEU A 56 36.954 -49.567 -21.238 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.293 -50.454 -22.631 1.00 0.00 H new ATOM 0 HD13 LEU A 56 35.193 -49.688 -21.461 1.00 0.00 H new ATOM 0 HD21 LEU A 56 36.848 -50.549 -18.957 1.00 0.00 H new ATOM 0 HD22 LEU A 56 35.080 -50.736 -19.030 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.112 -52.148 -18.699 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P A B 493 22.288 -31.421 -7.136 1.00 0.00 P ATOM 891 OP1 A B 493 22.071 -32.885 -7.129 1.00 0.00 O ATOM 892 OP2 A B 493 21.613 -30.636 -8.194 1.00 0.00 O ATOM 893 O5' A B 493 21.821 -30.845 -5.718 1.00 0.00 O ATOM 894 C5' A B 493 21.671 -29.439 -5.535 1.00 0.00 C ATOM 895 C4' A B 493 22.390 -28.999 -4.279 1.00 0.00 C ATOM 896 O4' A B 493 22.390 -30.162 -3.403 1.00 0.00 O ATOM 897 C3' A B 493 23.908 -28.925 -4.415 1.00 0.00 C ATOM 898 O3' A B 493 24.281 -27.621 -4.857 1.00 0.00 O ATOM 899 C2' A B 493 24.444 -29.216 -3.041 1.00 0.00 C ATOM 900 O2' A B 493 24.221 -28.004 -2.357 1.00 0.00 O ATOM 901 C1' A B 493 23.546 -30.378 -2.626 1.00 0.00 C ATOM 902 N9 A B 493 24.135 -31.705 -2.901 1.00 0.00 N ATOM 903 C8 A B 493 24.445 -32.230 -4.105 1.00 0.00 C ATOM 904 N7 A B 493 24.962 -33.451 -4.013 1.00 0.00 N ATOM 905 C5 A B 493 24.975 -33.703 -2.669 1.00 0.00 C ATOM 906 C6 A B 493 25.404 -34.828 -1.932 1.00 0.00 C ATOM 907 N6 A B 493 25.926 -35.953 -2.482 1.00 0.00 N ATOM 908 N1 A B 493 25.284 -34.772 -0.577 1.00 0.00 N ATOM 909 C2 A B 493 24.765 -33.654 -0.020 1.00 0.00 C ATOM 910 N3 A B 493 24.327 -32.532 -0.620 1.00 0.00 N ATOM 911 C4 A B 493 24.474 -32.651 -1.970 1.00 0.00 C ATOM 0 H5' A B 493 20.613 -29.184 -5.466 1.00 0.00 H new ATOM 0 H5'' A B 493 22.072 -28.907 -6.398 1.00 0.00 H new ATOM 0 H4' A B 493 21.921 -28.058 -3.992 1.00 0.00 H new ATOM 0 H3' A B 493 24.304 -29.632 -5.144 1.00 0.00 H new ATOM 0 H2' A B 493 25.488 -29.492 -2.893 1.00 0.00 H new ATOM 0 HO2' A B 493 24.186 -27.266 -3.001 1.00 0.00 H new ATOM 0 H1' A B 493 23.368 -30.396 -1.551 1.00 0.00 H new ATOM 0 H8 A B 493 24.290 -31.714 -5.041 1.00 0.00 H new ATOM 0 H61 A B 493 26.214 -36.727 -1.883 1.00 0.00 H new ATOM 0 H62 A B 493 26.030 -36.025 -3.494 1.00 0.00 H new ATOM 0 H2 A B 493 24.692 -33.663 1.057 1.00 0.00 H new ATOM 923 P A B 494 24.137 -27.228 -6.401 1.00 0.00 P ATOM 924 OP1 A B 494 25.319 -26.446 -6.828 1.00 0.00 O ATOM 925 OP2 A B 494 22.803 -26.636 -6.643 1.00 0.00 O ATOM 926 O5' A B 494 24.191 -28.646 -7.139 1.00 0.00 O ATOM 927 C5' A B 494 24.803 -28.760 -8.422 1.00 0.00 C ATOM 928 C4' A B 494 26.016 -29.658 -8.341 1.00 0.00 C ATOM 929 O4' A B 494 26.774 -29.111 -7.249 1.00 0.00 O ATOM 930 C3' A B 494 25.790 -30.956 -7.570 1.00 0.00 C ATOM 931 O3' A B 494 25.235 -31.936 -8.443 1.00 0.00 O ATOM 932 C2' A B 494 27.150 -31.365 -7.074 1.00 0.00 C ATOM 933 O2' A B 494 27.672 -32.089 -8.165 1.00 0.00 O ATOM 934 C1' A B 494 27.785 -29.999 -6.828 1.00 0.00 C ATOM 935 N9 A B 494 28.148 -29.764 -5.415 1.00 0.00 N ATOM 936 C8 A B 494 27.600 -30.335 -4.322 1.00 0.00 C ATOM 937 N7 A B 494 28.152 -29.910 -3.190 1.00 0.00 N ATOM 938 C5 A B 494 29.104 -29.018 -3.604 1.00 0.00 C ATOM 939 C6 A B 494 30.025 -28.230 -2.879 1.00 0.00 C ATOM 940 N6 A B 494 30.133 -28.222 -1.526 1.00 0.00 N ATOM 941 N1 A B 494 30.858 -27.425 -3.594 1.00 0.00 N ATOM 942 C2 A B 494 30.757 -27.427 -4.943 1.00 0.00 C ATOM 943 N3 A B 494 29.924 -28.131 -5.731 1.00 0.00 N ATOM 944 C4 A B 494 29.120 -28.913 -4.959 1.00 0.00 C ATOM 0 H5' A B 494 25.094 -27.774 -8.783 1.00 0.00 H new ATOM 0 H5'' A B 494 24.089 -29.164 -9.140 1.00 0.00 H new ATOM 0 H4' A B 494 26.374 -29.763 -9.365 1.00 0.00 H new ATOM 0 H3' A B 494 25.092 -30.841 -6.740 1.00 0.00 H new ATOM 0 H2' A B 494 27.261 -31.983 -6.183 1.00 0.00 H new ATOM 0 HO2' A B 494 28.444 -32.615 -7.869 1.00 0.00 H new ATOM 0 H1' A B 494 28.731 -29.886 -7.357 1.00 0.00 H new ATOM 0 H8 A B 494 26.800 -31.059 -4.363 1.00 0.00 H new ATOM 0 H61 A B 494 30.824 -27.624 -1.073 1.00 0.00 H new ATOM 0 H62 A B 494 29.523 -28.814 -0.962 1.00 0.00 H new ATOM 0 H2 A B 494 31.441 -26.771 -5.460 1.00 0.00 H new ATOM 956 P C B 495 25.176 -33.470 -7.990 1.00 0.00 P ATOM 957 OP1 C B 495 23.837 -34.027 -8.289 1.00 0.00 O ATOM 958 OP2 C B 495 25.675 -33.599 -6.603 1.00 0.00 O ATOM 959 O5' C B 495 26.232 -34.174 -8.963 1.00 0.00 O ATOM 960 C5' C B 495 26.498 -33.617 -10.249 1.00 0.00 C ATOM 961 C4' C B 495 27.548 -34.437 -10.964 1.00 0.00 C ATOM 962 O4' C B 495 28.576 -34.844 -10.043 1.00 0.00 O ATOM 963 C3' C B 495 27.096 -35.842 -11.351 1.00 0.00 C ATOM 964 O3' C B 495 26.429 -35.795 -12.610 1.00 0.00 O ATOM 965 C2' C B 495 28.355 -36.660 -11.423 1.00 0.00 C ATOM 966 O2' C B 495 28.902 -36.278 -12.665 1.00 0.00 O ATOM 967 C1' C B 495 29.100 -36.144 -10.195 1.00 0.00 C ATOM 968 N1 C B 495 28.869 -36.957 -8.981 1.00 0.00 N ATOM 969 C2 C B 495 29.449 -38.224 -8.930 1.00 0.00 C ATOM 970 O2 C B 495 30.124 -38.604 -9.892 1.00 0.00 O ATOM 971 N3 C B 495 29.254 -38.982 -7.837 1.00 0.00 N ATOM 972 C4 C B 495 28.531 -38.559 -6.818 1.00 0.00 C ATOM 973 N4 C B 495 28.349 -39.322 -5.748 1.00 0.00 N ATOM 974 C5 C B 495 27.918 -37.251 -6.847 1.00 0.00 C ATOM 975 C6 C B 495 28.122 -36.507 -7.944 1.00 0.00 C ATOM 0 H5' C B 495 26.839 -32.587 -10.144 1.00 0.00 H new ATOM 0 H5'' C B 495 25.582 -33.591 -10.839 1.00 0.00 H new ATOM 0 H4' C B 495 27.817 -33.793 -11.801 1.00 0.00 H new ATOM 0 H3' C B 495 26.394 -36.274 -10.637 1.00 0.00 H new ATOM 0 H2' C B 495 28.319 -37.749 -11.396 1.00 0.00 H new ATOM 0 HO2' C B 495 28.180 -36.152 -13.316 1.00 0.00 H new ATOM 0 H1' C B 495 30.181 -36.181 -10.327 1.00 0.00 H new ATOM 0 H41 C B 495 27.787 -38.981 -4.968 1.00 0.00 H new ATOM 0 H42 C B 495 28.771 -40.250 -5.705 1.00 0.00 H new ATOM 0 H5 C B 495 27.322 -36.889 -6.022 1.00 0.00 H new ATOM 0 H6 C B 495 27.679 -35.524 -8.002 1.00 0.00 H new ATOM 987 P A B 496 24.831 -35.840 -12.673 1.00 0.00 P ATOM 988 OP1 A B 496 24.276 -35.701 -11.308 1.00 0.00 O ATOM 989 OP2 A B 496 24.396 -37.007 -13.471 1.00 0.00 O ATOM 990 O5' A B 496 24.465 -34.515 -13.491 1.00 0.00 O ATOM 991 C5' A B 496 23.654 -34.602 -14.661 1.00 0.00 C ATOM 992 C4' A B 496 24.446 -34.171 -15.875 1.00 0.00 C ATOM 993 O4' A B 496 24.752 -32.794 -15.615 1.00 0.00 O ATOM 994 C3' A B 496 25.892 -34.657 -15.889 1.00 0.00 C ATOM 995 O3' A B 496 25.969 -35.899 -16.583 1.00 0.00 O ATOM 996 C2' A B 496 26.666 -33.580 -16.598 1.00 0.00 C ATOM 997 O2' A B 496 26.366 -33.824 -17.954 1.00 0.00 O ATOM 998 C1' A B 496 26.026 -32.330 -16.001 1.00 0.00 C ATOM 999 N9 A B 496 26.768 -31.783 -14.845 1.00 0.00 N ATOM 1000 C8 A B 496 27.119 -32.432 -13.715 1.00 0.00 C ATOM 1001 N7 A B 496 27.783 -31.657 -12.864 1.00 0.00 N ATOM 1002 C5 A B 496 27.851 -30.448 -13.504 1.00 0.00 C ATOM 1003 C6 A B 496 28.428 -29.218 -13.122 1.00 0.00 C ATOM 1004 N6 A B 496 29.074 -29.005 -11.948 1.00 0.00 N ATOM 1005 N1 A B 496 28.326 -28.181 -13.997 1.00 0.00 N ATOM 1006 C2 A B 496 27.685 -28.385 -15.169 1.00 0.00 C ATOM 1007 N3 A B 496 27.102 -29.505 -15.633 1.00 0.00 N ATOM 1008 C4 A B 496 27.237 -30.502 -14.716 1.00 0.00 C ATOM 0 H5' A B 496 22.772 -33.971 -14.550 1.00 0.00 H new ATOM 0 H5'' A B 496 23.300 -35.624 -14.792 1.00 0.00 H new ATOM 0 H4' A B 496 23.876 -34.490 -16.747 1.00 0.00 H new ATOM 0 H3' A B 496 26.291 -34.829 -14.889 1.00 0.00 H new ATOM 0 H2' A B 496 27.750 -33.514 -16.504 1.00 0.00 H new ATOM 0 HO2' A B 496 26.085 -34.756 -18.064 1.00 0.00 H new ATOM 0 H1' A B 496 26.007 -31.501 -16.709 1.00 0.00 H new ATOM 0 H8 A B 496 26.886 -33.469 -13.523 1.00 0.00 H new ATOM 0 H61 A B 496 29.466 -28.086 -11.741 1.00 0.00 H new ATOM 0 H62 A B 496 29.167 -29.763 -11.272 1.00 0.00 H new ATOM 0 H2 A B 496 27.634 -27.529 -15.825 1.00 0.00 H new ATOM 1020 P G B 497 26.817 -37.109 -15.968 1.00 0.00 P ATOM 1021 OP1 G B 497 25.943 -38.290 -15.789 1.00 0.00 O ATOM 1022 OP2 G B 497 27.576 -36.637 -14.789 1.00 0.00 O ATOM 1023 O5' G B 497 27.865 -37.442 -17.130 1.00 0.00 O ATOM 1024 C5' G B 497 27.406 -37.663 -18.462 1.00 0.00 C ATOM 1025 C4' G B 497 28.505 -37.344 -19.450 1.00 0.00 C ATOM 1026 O4' G B 497 29.024 -36.077 -18.955 1.00 0.00 O ATOM 1027 C3' G B 497 29.785 -38.153 -19.253 1.00 0.00 C ATOM 1028 O3' G B 497 29.765 -39.288 -20.115 1.00 0.00 O ATOM 1029 C2' G B 497 30.905 -37.213 -19.602 1.00 0.00 C ATOM 1030 O2' G B 497 30.870 -37.199 -21.012 1.00 0.00 O ATOM 1031 C1' G B 497 30.426 -35.934 -18.922 1.00 0.00 C ATOM 1032 N9 G B 497 30.917 -35.785 -17.536 1.00 0.00 N ATOM 1033 C8 G B 497 30.630 -36.571 -16.476 1.00 0.00 C ATOM 1034 N7 G B 497 31.231 -36.168 -15.362 1.00 0.00 N ATOM 1035 C5 G B 497 31.936 -35.061 -15.749 1.00 0.00 C ATOM 1036 C6 G B 497 32.775 -34.186 -15.028 1.00 0.00 C ATOM 1037 O6 G B 497 33.037 -34.277 -13.829 1.00 0.00 O ATOM 1038 N1 G B 497 33.342 -33.155 -15.712 1.00 0.00 N ATOM 1039 C2 G B 497 33.072 -33.030 -17.030 1.00 0.00 C ATOM 1040 N2 G B 497 33.698 -31.978 -17.555 1.00 0.00 N ATOM 1041 N3 G B 497 32.294 -33.799 -17.815 1.00 0.00 N ATOM 1042 C4 G B 497 31.758 -34.808 -17.073 1.00 0.00 C ATOM 0 H5' G B 497 26.534 -37.040 -18.662 1.00 0.00 H new ATOM 0 H5'' G B 497 27.091 -38.700 -18.579 1.00 0.00 H new ATOM 0 H4' G B 497 28.088 -37.459 -20.450 1.00 0.00 H new ATOM 0 H3' G B 497 29.898 -38.531 -18.237 1.00 0.00 H new ATOM 0 H2' G B 497 31.930 -37.424 -19.298 1.00 0.00 H new ATOM 0 HO2' G B 497 30.540 -38.062 -21.340 1.00 0.00 H new ATOM 0 H1' G B 497 30.797 -35.039 -19.422 1.00 0.00 H new ATOM 0 H8 G B 497 29.982 -37.434 -16.528 1.00 0.00 H new ATOM 0 H1 G B 497 33.957 -32.492 -15.240 1.00 0.00 H new ATOM 0 H21 G B 497 33.586 -31.760 -18.545 1.00 0.00 H new ATOM 0 H22 G B 497 34.289 -31.391 -16.967 1.00 0.00 H new ATOM 1054 P U B 498 30.733 -40.530 -19.823 1.00 0.00 P ATOM 1055 OP1 U B 498 32.075 -40.037 -19.445 1.00 0.00 O ATOM 1056 OP2 U B 498 30.650 -41.499 -20.939 1.00 0.00 O ATOM 1057 O5' U B 498 30.071 -41.205 -18.532 1.00 0.00 O ATOM 1058 C5' U B 498 29.130 -42.265 -18.685 1.00 0.00 C ATOM 1059 C4' U B 498 29.821 -43.601 -18.529 1.00 0.00 C ATOM 1060 O4' U B 498 30.927 -43.687 -19.453 1.00 0.00 O ATOM 1061 C3' U B 498 30.762 -43.687 -17.330 1.00 0.00 C ATOM 1062 O3' U B 498 29.994 -43.906 -16.138 1.00 0.00 O ATOM 1063 C2' U B 498 31.672 -44.847 -17.623 1.00 0.00 C ATOM 1064 O2' U B 498 30.890 -45.958 -17.245 1.00 0.00 O ATOM 1065 C1' U B 498 31.880 -44.673 -19.125 1.00 0.00 C ATOM 1066 N1 U B 498 33.246 -44.238 -19.485 1.00 0.00 N ATOM 1067 C2 U B 498 34.160 -45.226 -19.688 1.00 0.00 C ATOM 1068 O2 U B 498 33.906 -46.415 -19.588 1.00 0.00 O ATOM 1069 N3 U B 498 35.433 -44.822 -20.022 1.00 0.00 N ATOM 1070 C4 U B 498 35.803 -43.507 -20.155 1.00 0.00 C ATOM 1071 O4 U B 498 36.969 -43.263 -20.459 1.00 0.00 O ATOM 1072 C5 U B 498 34.809 -42.516 -19.933 1.00 0.00 C ATOM 1073 C6 U B 498 33.582 -42.931 -19.609 1.00 0.00 C ATOM 0 H5' U B 498 28.658 -42.204 -19.665 1.00 0.00 H new ATOM 0 H5'' U B 498 28.338 -42.168 -17.943 1.00 0.00 H new ATOM 0 H4' U B 498 28.983 -44.296 -18.567 1.00 0.00 H new ATOM 0 H3' U B 498 31.337 -42.774 -17.173 1.00 0.00 H new ATOM 0 H2' U B 498 32.640 -44.940 -17.130 1.00 0.00 H new ATOM 0 HO2' U B 498 30.251 -45.688 -16.552 1.00 0.00 H new ATOM 0 HO3' U B 498 29.487 -43.096 -15.922 1.00 0.00 H new ATOM 0 H1' U B 498 31.761 -45.611 -19.667 1.00 0.00 H new ATOM 0 H3 U B 498 36.140 -45.540 -20.179 1.00 0.00 H new ATOM 0 H5 U B 498 35.038 -41.464 -20.023 1.00 0.00 H new ATOM 0 H6 U B 498 32.818 -42.187 -19.437 1.00 0.00 H new TER 1084 U B 498 HETATM 1085 ZN ZN A 57 36.380 -32.097 -8.416 1.00 0.00 ZN