USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=17 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 Set 1.1: A 28 TYR OH : rot 180:sc= -0.0671 USER MOD Set 1.2: B 494 A O2' : rot 130:sc= -0.787! USER MOD Single : A 1 ALA N :NH3+ -102:sc= 0.114 (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= -0.015 X(o=-0.015,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.038) 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= -0.0171 X(o=-0.017,f=-0.0012) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0225) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -106:sc= 0.567 (180deg=-0.00623) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -137:sc= -1! (180deg=-2.86!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 53 THR OG1 : rot 20:sc= 0.282 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 493 A O2' : rot -22:sc= 0.474 USER MOD Single : B 495 C O2' : rot -104:sc= 1 USER MOD Single : B 496 A O2' : rot -22:sc= 0.488 USER MOD Single : B 497 G O2' : rot -27:sc= -1.17! USER MOD Single : B 498 U O2' : rot -24:sc= 0.446 USER MOD Single : B 498 U O3' : rot 180:sc= 0.302 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 37.417 16.381 -12.532 1.00 0.00 N ATOM 2 CA ALA A 1 38.288 16.770 -13.627 1.00 0.00 C ATOM 3 C ALA A 1 39.316 15.664 -13.875 1.00 0.00 C ATOM 4 O ALA A 1 39.588 14.856 -12.988 1.00 0.00 O ATOM 5 CB ALA A 1 38.946 18.114 -13.304 1.00 0.00 C ATOM 0 H1 ALA A 1 36.509 16.047 -12.913 1.00 0.00 H new ATOM 0 H2 ALA A 1 37.865 15.618 -11.986 1.00 0.00 H new ATOM 0 H3 ALA A 1 37.253 17.199 -11.912 1.00 0.00 H new ATOM 0 HA ALA A 1 37.714 16.899 -14.545 1.00 0.00 H new ATOM 0 HB1 ALA A 1 39.600 18.406 -14.126 1.00 0.00 H new ATOM 0 HB2 ALA A 1 38.175 18.873 -13.166 1.00 0.00 H new ATOM 0 HB3 ALA A 1 39.532 18.022 -12.390 1.00 0.00 H new ATOM 11 N THR A 2 39.856 15.662 -15.084 1.00 0.00 N ATOM 12 CA THR A 2 40.847 14.668 -15.460 1.00 0.00 C ATOM 13 C THR A 2 40.251 13.262 -15.371 1.00 0.00 C ATOM 14 O THR A 2 39.903 12.798 -14.286 1.00 0.00 O ATOM 15 CB THR A 2 42.075 14.865 -14.569 1.00 0.00 C ATOM 16 OG1 THR A 2 42.636 16.095 -15.018 1.00 0.00 O ATOM 17 CG2 THR A 2 43.171 13.834 -14.847 1.00 0.00 C ATOM 0 H THR A 2 39.626 16.333 -15.817 1.00 0.00 H new ATOM 0 HA THR A 2 41.157 14.791 -16.498 1.00 0.00 H new ATOM 0 HB THR A 2 41.777 14.806 -13.522 1.00 0.00 H new ATOM 0 HG1 THR A 2 43.437 16.301 -14.492 1.00 0.00 H new ATOM 0 HG21 THR A 2 44.020 14.019 -14.188 1.00 0.00 H new ATOM 0 HG22 THR A 2 42.782 12.832 -14.666 1.00 0.00 H new ATOM 0 HG23 THR A 2 43.493 13.916 -15.885 1.00 0.00 H new ATOM 25 N VAL A 3 40.153 12.621 -16.527 1.00 0.00 N ATOM 26 CA VAL A 3 39.606 11.277 -16.594 1.00 0.00 C ATOM 27 C VAL A 3 40.161 10.565 -17.828 1.00 0.00 C ATOM 28 O VAL A 3 40.297 11.171 -18.890 1.00 0.00 O ATOM 29 CB VAL A 3 38.077 11.333 -16.574 1.00 0.00 C ATOM 30 CG1 VAL A 3 37.535 11.975 -17.853 1.00 0.00 C ATOM 31 CG2 VAL A 3 37.480 9.941 -16.362 1.00 0.00 C ATOM 0 H VAL A 3 40.443 13.008 -17.425 1.00 0.00 H new ATOM 0 HA VAL A 3 39.909 10.698 -15.721 1.00 0.00 H new ATOM 0 HB VAL A 3 37.775 11.957 -15.733 1.00 0.00 H new ATOM 0 HG11 VAL A 3 36.446 12.002 -17.813 1.00 0.00 H new ATOM 0 HG12 VAL A 3 37.921 12.991 -17.942 1.00 0.00 H new ATOM 0 HG13 VAL A 3 37.852 11.390 -18.716 1.00 0.00 H new ATOM 0 HG21 VAL A 3 36.392 10.009 -16.352 1.00 0.00 H new ATOM 0 HG22 VAL A 3 37.795 9.283 -17.172 1.00 0.00 H new ATOM 0 HG23 VAL A 3 37.827 9.537 -15.411 1.00 0.00 H new ATOM 41 N VAL A 4 40.469 9.289 -17.648 1.00 0.00 N ATOM 42 CA VAL A 4 41.007 8.488 -18.735 1.00 0.00 C ATOM 43 C VAL A 4 40.479 7.057 -18.618 1.00 0.00 C ATOM 44 O VAL A 4 40.183 6.588 -17.520 1.00 0.00 O ATOM 45 CB VAL A 4 42.535 8.564 -18.733 1.00 0.00 C ATOM 46 CG1 VAL A 4 43.013 9.994 -18.989 1.00 0.00 C ATOM 47 CG2 VAL A 4 43.109 8.020 -17.424 1.00 0.00 C ATOM 0 H VAL A 4 40.356 8.790 -16.766 1.00 0.00 H new ATOM 0 HA VAL A 4 40.677 8.878 -19.698 1.00 0.00 H new ATOM 0 HB VAL A 4 42.903 7.938 -19.546 1.00 0.00 H new ATOM 0 HG11 VAL A 4 44.103 10.020 -18.982 1.00 0.00 H new ATOM 0 HG12 VAL A 4 42.648 10.332 -19.959 1.00 0.00 H new ATOM 0 HG13 VAL A 4 42.630 10.651 -18.208 1.00 0.00 H new ATOM 0 HG21 VAL A 4 44.197 8.085 -17.449 1.00 0.00 H new ATOM 0 HG22 VAL A 4 42.729 8.607 -16.588 1.00 0.00 H new ATOM 0 HG23 VAL A 4 42.811 6.979 -17.301 1.00 0.00 H new ATOM 57 N SER A 5 40.376 6.402 -19.765 1.00 0.00 N ATOM 58 CA SER A 5 39.890 5.034 -19.805 1.00 0.00 C ATOM 59 C SER A 5 39.841 4.538 -21.252 1.00 0.00 C ATOM 60 O SER A 5 40.012 5.319 -22.186 1.00 0.00 O ATOM 61 CB SER A 5 38.507 4.923 -19.159 1.00 0.00 C ATOM 62 OG SER A 5 37.606 5.909 -19.654 1.00 0.00 O ATOM 0 H SER A 5 40.621 6.794 -20.674 1.00 0.00 H new ATOM 0 HA SER A 5 40.579 4.409 -19.237 1.00 0.00 H new ATOM 0 HB2 SER A 5 38.098 3.931 -19.347 1.00 0.00 H new ATOM 0 HB3 SER A 5 38.602 5.029 -18.078 1.00 0.00 H new ATOM 0 HG SER A 5 36.734 5.804 -19.219 1.00 0.00 H new ATOM 68 N GLY A 6 39.608 3.241 -21.391 1.00 0.00 N ATOM 69 CA GLY A 6 39.534 2.631 -22.708 1.00 0.00 C ATOM 70 C GLY A 6 39.208 1.139 -22.604 1.00 0.00 C ATOM 71 O GLY A 6 39.519 0.501 -21.600 1.00 0.00 O ATOM 0 H GLY A 6 39.468 2.596 -20.614 1.00 0.00 H new ATOM 0 HA2 GLY A 6 38.771 3.133 -23.303 1.00 0.00 H new ATOM 0 HA3 GLY A 6 40.483 2.764 -23.228 1.00 0.00 H new ATOM 75 N GLN A 7 38.586 0.628 -23.656 1.00 0.00 N ATOM 76 CA GLN A 7 38.213 -0.775 -23.695 1.00 0.00 C ATOM 77 C GLN A 7 37.481 -1.094 -25.001 1.00 0.00 C ATOM 78 O GLN A 7 36.702 -0.279 -25.494 1.00 0.00 O ATOM 79 CB GLN A 7 37.361 -1.151 -22.483 1.00 0.00 C ATOM 80 CG GLN A 7 37.814 -2.486 -21.887 1.00 0.00 C ATOM 81 CD GLN A 7 36.751 -3.053 -20.942 1.00 0.00 C ATOM 82 OE1 GLN A 7 35.666 -3.436 -21.345 1.00 0.00 O ATOM 83 NE2 GLN A 7 37.125 -3.085 -19.666 1.00 0.00 N ATOM 0 H GLN A 7 38.331 1.161 -24.488 1.00 0.00 H new ATOM 0 HA GLN A 7 39.123 -1.373 -23.656 1.00 0.00 H new ATOM 0 HB2 GLN A 7 37.432 -0.369 -21.727 1.00 0.00 H new ATOM 0 HB3 GLN A 7 36.313 -1.217 -22.777 1.00 0.00 H new ATOM 0 HG2 GLN A 7 38.011 -3.198 -22.688 1.00 0.00 H new ATOM 0 HG3 GLN A 7 38.750 -2.348 -21.346 1.00 0.00 H new ATOM 0 HE21 GLN A 7 38.049 -2.748 -19.397 1.00 0.00 H new ATOM 0 HE22 GLN A 7 36.487 -3.447 -18.957 1.00 0.00 H new ATOM 92 N LYS A 8 37.756 -2.280 -25.523 1.00 0.00 N ATOM 93 CA LYS A 8 37.133 -2.715 -26.761 1.00 0.00 C ATOM 94 C LYS A 8 36.744 -4.190 -26.640 1.00 0.00 C ATOM 95 O LYS A 8 37.601 -5.046 -26.426 1.00 0.00 O ATOM 96 CB LYS A 8 38.042 -2.415 -27.954 1.00 0.00 C ATOM 97 CG LYS A 8 38.124 -0.910 -28.216 1.00 0.00 C ATOM 98 CD LYS A 8 39.385 -0.312 -27.589 1.00 0.00 C ATOM 99 CE LYS A 8 40.284 0.315 -28.657 1.00 0.00 C ATOM 100 NZ LYS A 8 40.149 1.789 -28.648 1.00 0.00 N ATOM 0 H LYS A 8 38.402 -2.953 -25.111 1.00 0.00 H new ATOM 0 HA LYS A 8 36.215 -2.156 -26.942 1.00 0.00 H new ATOM 0 HB2 LYS A 8 39.040 -2.809 -27.763 1.00 0.00 H new ATOM 0 HB3 LYS A 8 37.663 -2.922 -28.841 1.00 0.00 H new ATOM 0 HG2 LYS A 8 38.124 -0.724 -29.290 1.00 0.00 H new ATOM 0 HG3 LYS A 8 37.242 -0.418 -27.807 1.00 0.00 H new ATOM 0 HD2 LYS A 8 39.107 0.443 -26.854 1.00 0.00 H new ATOM 0 HD3 LYS A 8 39.934 -1.089 -27.056 1.00 0.00 H new ATOM 0 HE2 LYS A 8 41.322 0.038 -28.475 1.00 0.00 H new ATOM 0 HE3 LYS A 8 40.018 -0.075 -29.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 40.766 2.199 -29.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 39.161 2.048 -28.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 40.425 2.157 -27.715 1.00 0.00 H new ATOM 114 N GLN A 9 35.450 -4.441 -26.781 1.00 0.00 N ATOM 115 CA GLN A 9 34.938 -5.799 -26.691 1.00 0.00 C ATOM 116 C GLN A 9 33.488 -5.852 -27.178 1.00 0.00 C ATOM 117 O GLN A 9 32.740 -4.888 -27.020 1.00 0.00 O ATOM 118 CB GLN A 9 35.056 -6.334 -25.262 1.00 0.00 C ATOM 119 CG GLN A 9 35.196 -7.857 -25.258 1.00 0.00 C ATOM 120 CD GLN A 9 34.824 -8.439 -23.893 1.00 0.00 C ATOM 121 OE1 GLN A 9 35.456 -8.174 -22.884 1.00 0.00 O ATOM 122 NE2 GLN A 9 33.766 -9.244 -23.918 1.00 0.00 N ATOM 0 H GLN A 9 34.742 -3.728 -26.957 1.00 0.00 H new ATOM 0 HA GLN A 9 35.541 -6.439 -27.335 1.00 0.00 H new ATOM 0 HB2 GLN A 9 35.919 -5.884 -24.771 1.00 0.00 H new ATOM 0 HB3 GLN A 9 34.176 -6.044 -24.687 1.00 0.00 H new ATOM 0 HG2 GLN A 9 34.554 -8.287 -26.027 1.00 0.00 H new ATOM 0 HG3 GLN A 9 36.221 -8.132 -25.507 1.00 0.00 H new ATOM 0 HE21 GLN A 9 33.282 -9.423 -24.798 1.00 0.00 H new ATOM 0 HE22 GLN A 9 33.438 -9.682 -23.057 1.00 0.00 H new ATOM 131 N ASP A 10 33.136 -6.988 -27.762 1.00 0.00 N ATOM 132 CA ASP A 10 31.790 -7.179 -28.275 1.00 0.00 C ATOM 133 C ASP A 10 31.698 -8.545 -28.957 1.00 0.00 C ATOM 134 O ASP A 10 32.719 -9.170 -29.243 1.00 0.00 O ATOM 135 CB ASP A 10 31.436 -6.109 -29.310 1.00 0.00 C ATOM 136 CG ASP A 10 29.948 -5.767 -29.404 1.00 0.00 C ATOM 137 OD1 ASP A 10 29.275 -5.871 -28.356 1.00 0.00 O ATOM 138 OD2 ASP A 10 29.518 -5.410 -30.522 1.00 0.00 O ATOM 0 H ASP A 10 33.759 -7.785 -27.891 1.00 0.00 H new ATOM 0 HA ASP A 10 31.098 -7.111 -27.436 1.00 0.00 H new ATOM 0 HB2 ASP A 10 31.988 -5.199 -29.073 1.00 0.00 H new ATOM 0 HB3 ASP A 10 31.779 -6.444 -30.289 1.00 0.00 H new ATOM 143 N ARG A 11 30.466 -8.969 -29.198 1.00 0.00 N ATOM 144 CA ARG A 11 30.228 -10.250 -29.842 1.00 0.00 C ATOM 145 C ARG A 11 30.678 -11.394 -28.930 1.00 0.00 C ATOM 146 O ARG A 11 31.601 -11.231 -28.133 1.00 0.00 O ATOM 147 CB ARG A 11 30.975 -10.345 -31.174 1.00 0.00 C ATOM 148 CG ARG A 11 30.030 -10.097 -32.351 1.00 0.00 C ATOM 149 CD ARG A 11 29.202 -11.345 -32.662 1.00 0.00 C ATOM 150 NE ARG A 11 29.894 -12.172 -33.676 1.00 0.00 N ATOM 151 CZ ARG A 11 29.357 -13.252 -34.260 1.00 0.00 C ATOM 152 NH1 ARG A 11 28.117 -13.642 -33.933 1.00 0.00 N ATOM 153 NH2 ARG A 11 30.058 -13.940 -35.170 1.00 0.00 N ATOM 0 H ARG A 11 29.622 -8.448 -28.959 1.00 0.00 H new ATOM 0 HA ARG A 11 29.158 -10.331 -30.033 1.00 0.00 H new ATOM 0 HB2 ARG A 11 31.785 -9.616 -31.194 1.00 0.00 H new ATOM 0 HB3 ARG A 11 31.431 -11.331 -31.270 1.00 0.00 H new ATOM 0 HG2 ARG A 11 29.366 -9.264 -32.120 1.00 0.00 H new ATOM 0 HG3 ARG A 11 30.606 -9.810 -33.231 1.00 0.00 H new ATOM 0 HD2 ARG A 11 29.047 -11.925 -31.752 1.00 0.00 H new ATOM 0 HD3 ARG A 11 28.217 -11.056 -33.027 1.00 0.00 H new ATOM 0 HE ARG A 11 30.840 -11.903 -33.947 1.00 0.00 H new ATOM 0 HH11 ARG A 11 27.583 -13.117 -33.240 1.00 0.00 H new ATOM 0 HH12 ARG A 11 27.707 -14.464 -34.377 1.00 0.00 H new ATOM 0 HH21 ARG A 11 31.001 -13.642 -35.419 1.00 0.00 H new ATOM 0 HH22 ARG A 11 29.649 -14.762 -35.614 1.00 0.00 H new ATOM 167 N GLN A 12 30.004 -12.525 -29.078 1.00 0.00 N ATOM 168 CA GLN A 12 30.323 -13.696 -28.278 1.00 0.00 C ATOM 169 C GLN A 12 30.648 -14.885 -29.184 1.00 0.00 C ATOM 170 O GLN A 12 31.739 -15.450 -29.107 1.00 0.00 O ATOM 171 CB GLN A 12 29.179 -14.032 -27.320 1.00 0.00 C ATOM 172 CG GLN A 12 29.608 -15.098 -26.307 1.00 0.00 C ATOM 173 CD GLN A 12 30.377 -14.470 -25.143 1.00 0.00 C ATOM 174 OE1 GLN A 12 29.868 -13.643 -24.404 1.00 0.00 O ATOM 175 NE2 GLN A 12 31.627 -14.908 -25.021 1.00 0.00 N ATOM 0 H GLN A 12 29.239 -12.656 -29.740 1.00 0.00 H new ATOM 0 HA GLN A 12 31.204 -13.473 -27.676 1.00 0.00 H new ATOM 0 HB2 GLN A 12 28.864 -13.131 -26.794 1.00 0.00 H new ATOM 0 HB3 GLN A 12 28.318 -14.388 -27.886 1.00 0.00 H new ATOM 0 HG2 GLN A 12 28.729 -15.619 -25.928 1.00 0.00 H new ATOM 0 HG3 GLN A 12 30.232 -15.843 -26.800 1.00 0.00 H new ATOM 0 HE21 GLN A 12 31.990 -15.602 -25.674 1.00 0.00 H new ATOM 0 HE22 GLN A 12 32.222 -14.550 -24.274 1.00 0.00 H new ATOM 184 N GLY A 13 29.681 -15.232 -30.021 1.00 0.00 N ATOM 185 CA GLY A 13 29.851 -16.344 -30.941 1.00 0.00 C ATOM 186 C GLY A 13 29.862 -17.679 -30.191 1.00 0.00 C ATOM 187 O GLY A 13 30.863 -18.041 -29.577 1.00 0.00 O ATOM 0 H GLY A 13 28.777 -14.763 -30.081 1.00 0.00 H new ATOM 0 HA2 GLY A 13 29.044 -16.341 -31.674 1.00 0.00 H new ATOM 0 HA3 GLY A 13 30.783 -16.225 -31.493 1.00 0.00 H new ATOM 191 N GLY A 14 28.735 -18.371 -30.267 1.00 0.00 N ATOM 192 CA GLY A 14 28.601 -19.658 -29.603 1.00 0.00 C ATOM 193 C GLY A 14 27.473 -20.482 -30.225 1.00 0.00 C ATOM 194 O GLY A 14 26.749 -19.994 -31.094 1.00 0.00 O ATOM 0 H GLY A 14 27.906 -18.066 -30.778 1.00 0.00 H new ATOM 0 HA2 GLY A 14 29.540 -20.208 -29.675 1.00 0.00 H new ATOM 0 HA3 GLY A 14 28.402 -19.505 -28.542 1.00 0.00 H new ATOM 198 N GLU A 15 27.357 -21.716 -29.758 1.00 0.00 N ATOM 199 CA GLU A 15 26.327 -22.611 -30.257 1.00 0.00 C ATOM 200 C GLU A 15 25.570 -23.253 -29.093 1.00 0.00 C ATOM 201 O GLU A 15 24.387 -22.982 -28.892 1.00 0.00 O ATOM 202 CB GLU A 15 26.928 -23.678 -31.175 1.00 0.00 C ATOM 203 CG GLU A 15 26.088 -23.847 -32.443 1.00 0.00 C ATOM 204 CD GLU A 15 25.585 -25.285 -32.580 1.00 0.00 C ATOM 205 OE1 GLU A 15 26.259 -26.056 -33.297 1.00 0.00 O ATOM 206 OE2 GLU A 15 24.538 -25.581 -31.965 1.00 0.00 O ATOM 0 H GLU A 15 27.959 -22.117 -29.039 1.00 0.00 H new ATOM 0 HA GLU A 15 25.619 -22.027 -30.845 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.947 -23.399 -31.444 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.987 -24.628 -30.644 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.240 -23.163 -32.416 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.684 -23.582 -33.316 1.00 0.00 H new ATOM 213 N ARG A 16 26.284 -24.091 -28.355 1.00 0.00 N ATOM 214 CA ARG A 16 25.694 -24.772 -27.215 1.00 0.00 C ATOM 215 C ARG A 16 26.739 -25.650 -26.523 1.00 0.00 C ATOM 216 O ARG A 16 27.472 -26.386 -27.182 1.00 0.00 O ATOM 217 CB ARG A 16 24.513 -25.644 -27.646 1.00 0.00 C ATOM 218 CG ARG A 16 23.582 -25.928 -26.465 1.00 0.00 C ATOM 219 CD ARG A 16 22.633 -24.754 -26.220 1.00 0.00 C ATOM 220 NE ARG A 16 21.316 -25.254 -25.763 1.00 0.00 N ATOM 221 CZ ARG A 16 21.080 -25.731 -24.533 1.00 0.00 C ATOM 222 NH1 ARG A 16 22.069 -25.777 -23.631 1.00 0.00 N ATOM 223 NH2 ARG A 16 19.855 -26.164 -24.206 1.00 0.00 N ATOM 0 H ARG A 16 27.265 -24.314 -28.524 1.00 0.00 H new ATOM 0 HA ARG A 16 25.336 -24.010 -26.522 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.958 -25.144 -28.440 1.00 0.00 H new ATOM 0 HB3 ARG A 16 24.881 -26.584 -28.058 1.00 0.00 H new ATOM 0 HG2 ARG A 16 23.005 -26.832 -26.661 1.00 0.00 H new ATOM 0 HG3 ARG A 16 24.173 -26.116 -25.569 1.00 0.00 H new ATOM 0 HD2 ARG A 16 23.056 -24.084 -25.472 1.00 0.00 H new ATOM 0 HD3 ARG A 16 22.514 -24.175 -27.136 1.00 0.00 H new ATOM 0 HE ARG A 16 20.541 -25.234 -26.425 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.002 -25.449 -23.880 1.00 0.00 H new ATOM 0 HH12 ARG A 16 21.889 -26.140 -22.695 1.00 0.00 H new ATOM 0 HH21 ARG A 16 19.102 -26.131 -24.893 1.00 0.00 H new ATOM 0 HH22 ARG A 16 19.675 -26.527 -23.270 1.00 0.00 H new ATOM 237 N ARG A 17 26.775 -25.543 -25.203 1.00 0.00 N ATOM 238 CA ARG A 17 27.718 -26.316 -24.413 1.00 0.00 C ATOM 239 C ARG A 17 27.347 -26.251 -22.931 1.00 0.00 C ATOM 240 O ARG A 17 26.688 -25.310 -22.492 1.00 0.00 O ATOM 241 CB ARG A 17 29.146 -25.799 -24.598 1.00 0.00 C ATOM 242 CG ARG A 17 29.287 -24.373 -24.060 1.00 0.00 C ATOM 243 CD ARG A 17 29.088 -23.345 -25.176 1.00 0.00 C ATOM 244 NE ARG A 17 28.236 -22.234 -24.694 1.00 0.00 N ATOM 245 CZ ARG A 17 28.230 -21.005 -25.226 1.00 0.00 C ATOM 246 NH1 ARG A 17 29.032 -20.720 -26.262 1.00 0.00 N ATOM 247 NH2 ARG A 17 27.424 -20.061 -24.724 1.00 0.00 N ATOM 0 H ARG A 17 26.165 -24.932 -24.660 1.00 0.00 H new ATOM 0 HA ARG A 17 27.671 -27.349 -24.758 1.00 0.00 H new ATOM 0 HB2 ARG A 17 29.845 -26.457 -24.081 1.00 0.00 H new ATOM 0 HB3 ARG A 17 29.410 -25.820 -25.655 1.00 0.00 H new ATOM 0 HG2 ARG A 17 28.555 -24.204 -23.270 1.00 0.00 H new ATOM 0 HG3 ARG A 17 30.273 -24.244 -23.614 1.00 0.00 H new ATOM 0 HD2 ARG A 17 30.054 -22.959 -25.502 1.00 0.00 H new ATOM 0 HD3 ARG A 17 28.626 -23.820 -26.041 1.00 0.00 H new ATOM 0 HE ARG A 17 27.614 -22.416 -23.906 1.00 0.00 H new ATOM 0 HH11 ARG A 17 29.646 -21.439 -26.644 1.00 0.00 H new ATOM 0 HH12 ARG A 17 29.028 -19.784 -26.668 1.00 0.00 H new ATOM 0 HH21 ARG A 17 26.814 -20.278 -23.936 1.00 0.00 H new ATOM 0 HH22 ARG A 17 27.420 -19.125 -25.130 1.00 0.00 H new ATOM 261 N ARG A 18 27.788 -27.264 -22.199 1.00 0.00 N ATOM 262 CA ARG A 18 27.511 -27.335 -20.774 1.00 0.00 C ATOM 263 C ARG A 18 28.035 -26.081 -20.069 1.00 0.00 C ATOM 264 O ARG A 18 29.073 -25.541 -20.447 1.00 0.00 O ATOM 265 CB ARG A 18 28.158 -28.572 -20.148 1.00 0.00 C ATOM 266 CG ARG A 18 27.265 -29.802 -20.316 1.00 0.00 C ATOM 267 CD ARG A 18 25.927 -29.612 -19.597 1.00 0.00 C ATOM 268 NE ARG A 18 24.866 -29.288 -20.577 1.00 0.00 N ATOM 269 CZ ARG A 18 24.504 -30.094 -21.584 1.00 0.00 C ATOM 270 NH1 ARG A 18 25.115 -31.275 -21.751 1.00 0.00 N ATOM 271 NH2 ARG A 18 23.530 -29.717 -22.426 1.00 0.00 N ATOM 0 H ARG A 18 28.335 -28.042 -22.566 1.00 0.00 H new ATOM 0 HA ARG A 18 26.430 -27.402 -20.649 1.00 0.00 H new ATOM 0 HB2 ARG A 18 29.127 -28.755 -20.613 1.00 0.00 H new ATOM 0 HB3 ARG A 18 28.342 -28.394 -19.089 1.00 0.00 H new ATOM 0 HG2 ARG A 18 27.089 -29.986 -21.376 1.00 0.00 H new ATOM 0 HG3 ARG A 18 27.773 -30.681 -19.920 1.00 0.00 H new ATOM 0 HD2 ARG A 18 25.666 -30.519 -19.053 1.00 0.00 H new ATOM 0 HD3 ARG A 18 26.011 -28.812 -18.862 1.00 0.00 H new ATOM 0 HE ARG A 18 24.381 -28.396 -20.480 1.00 0.00 H new ATOM 0 HH11 ARG A 18 25.856 -31.561 -21.111 1.00 0.00 H new ATOM 0 HH12 ARG A 18 24.839 -31.888 -22.518 1.00 0.00 H new ATOM 0 HH21 ARG A 18 23.066 -28.818 -22.299 1.00 0.00 H new ATOM 0 HH22 ARG A 18 23.254 -30.330 -23.193 1.00 0.00 H new ATOM 285 N SER A 19 27.292 -25.656 -19.057 1.00 0.00 N ATOM 286 CA SER A 19 27.669 -24.477 -18.297 1.00 0.00 C ATOM 287 C SER A 19 29.167 -24.511 -17.985 1.00 0.00 C ATOM 288 O SER A 19 29.587 -25.118 -17.002 1.00 0.00 O ATOM 289 CB SER A 19 26.861 -24.376 -17.001 1.00 0.00 C ATOM 290 OG SER A 19 25.583 -23.782 -17.216 1.00 0.00 O ATOM 0 H SER A 19 26.432 -26.107 -18.746 1.00 0.00 H new ATOM 0 HA SER A 19 27.450 -23.597 -18.901 1.00 0.00 H new ATOM 0 HB2 SER A 19 26.732 -25.371 -16.575 1.00 0.00 H new ATOM 0 HB3 SER A 19 27.417 -23.787 -16.272 1.00 0.00 H new ATOM 0 HG SER A 19 25.096 -23.736 -16.367 1.00 0.00 H new ATOM 296 N GLN A 20 29.931 -23.850 -18.843 1.00 0.00 N ATOM 297 CA GLN A 20 31.374 -23.797 -18.672 1.00 0.00 C ATOM 298 C GLN A 20 31.894 -25.132 -18.134 1.00 0.00 C ATOM 299 O GLN A 20 32.739 -25.158 -17.240 1.00 0.00 O ATOM 300 CB GLN A 20 31.775 -22.642 -17.752 1.00 0.00 C ATOM 301 CG GLN A 20 32.596 -21.598 -18.511 1.00 0.00 C ATOM 302 CD GLN A 20 32.154 -20.180 -18.144 1.00 0.00 C ATOM 303 OE1 GLN A 20 32.742 -19.516 -17.306 1.00 0.00 O ATOM 304 NE2 GLN A 20 31.087 -19.755 -18.815 1.00 0.00 N ATOM 0 H GLN A 20 29.579 -23.347 -19.658 1.00 0.00 H new ATOM 0 HA GLN A 20 31.829 -23.618 -19.646 1.00 0.00 H new ATOM 0 HB2 GLN A 20 30.882 -22.176 -17.337 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.354 -23.025 -16.912 1.00 0.00 H new ATOM 0 HG2 GLN A 20 33.654 -21.724 -18.280 1.00 0.00 H new ATOM 0 HG3 GLN A 20 32.483 -21.752 -19.584 1.00 0.00 H new ATOM 0 HE21 GLN A 20 30.642 -20.362 -19.503 1.00 0.00 H new ATOM 0 HE22 GLN A 20 30.713 -18.822 -18.641 1.00 0.00 H new ATOM 313 N LEU A 21 31.368 -26.207 -18.702 1.00 0.00 N ATOM 314 CA LEU A 21 31.768 -27.542 -18.290 1.00 0.00 C ATOM 315 C LEU A 21 32.740 -28.119 -19.322 1.00 0.00 C ATOM 316 O LEU A 21 32.332 -28.849 -20.224 1.00 0.00 O ATOM 317 CB LEU A 21 30.539 -28.419 -18.046 1.00 0.00 C ATOM 318 CG LEU A 21 30.690 -29.502 -16.975 1.00 0.00 C ATOM 319 CD1 LEU A 21 29.987 -30.794 -17.400 1.00 0.00 C ATOM 320 CD2 LEU A 21 32.163 -29.736 -16.636 1.00 0.00 C ATOM 0 H LEU A 21 30.668 -26.181 -19.444 1.00 0.00 H new ATOM 0 HA LEU A 21 32.297 -27.504 -17.338 1.00 0.00 H new ATOM 0 HB2 LEU A 21 29.706 -27.774 -17.767 1.00 0.00 H new ATOM 0 HB3 LEU A 21 30.268 -28.900 -18.986 1.00 0.00 H new ATOM 0 HG LEU A 21 30.202 -29.154 -16.065 1.00 0.00 H new ATOM 0 HD11 LEU A 21 30.109 -31.548 -16.622 1.00 0.00 H new ATOM 0 HD12 LEU A 21 28.926 -30.598 -17.552 1.00 0.00 H new ATOM 0 HD13 LEU A 21 30.425 -31.158 -18.329 1.00 0.00 H new ATOM 0 HD21 LEU A 21 32.242 -30.510 -15.873 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.696 -30.054 -17.532 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.602 -28.811 -16.262 1.00 0.00 H new ATOM 332 N ASP A 22 34.007 -27.770 -19.154 1.00 0.00 N ATOM 333 CA ASP A 22 35.040 -28.244 -20.059 1.00 0.00 C ATOM 334 C ASP A 22 35.084 -29.773 -20.022 1.00 0.00 C ATOM 335 O ASP A 22 34.622 -30.387 -19.062 1.00 0.00 O ATOM 336 CB ASP A 22 36.418 -27.722 -19.645 1.00 0.00 C ATOM 337 CG ASP A 22 37.482 -27.765 -20.743 1.00 0.00 C ATOM 338 OD1 ASP A 22 37.091 -28.017 -21.904 1.00 0.00 O ATOM 339 OD2 ASP A 22 38.663 -27.545 -20.397 1.00 0.00 O ATOM 0 H ASP A 22 34.342 -27.164 -18.404 1.00 0.00 H new ATOM 0 HA ASP A 22 34.802 -27.882 -21.059 1.00 0.00 H new ATOM 0 HB2 ASP A 22 36.312 -26.693 -19.303 1.00 0.00 H new ATOM 0 HB3 ASP A 22 36.771 -28.306 -18.795 1.00 0.00 H new ATOM 344 N ARG A 23 35.641 -30.344 -21.079 1.00 0.00 N ATOM 345 CA ARG A 23 35.750 -31.789 -21.180 1.00 0.00 C ATOM 346 C ARG A 23 36.717 -32.323 -20.119 1.00 0.00 C ATOM 347 O ARG A 23 36.836 -33.533 -19.938 1.00 0.00 O ATOM 348 CB ARG A 23 36.242 -32.209 -22.566 1.00 0.00 C ATOM 349 CG ARG A 23 35.068 -32.395 -23.530 1.00 0.00 C ATOM 350 CD ARG A 23 34.149 -33.525 -23.062 1.00 0.00 C ATOM 351 NE ARG A 23 34.251 -34.677 -23.985 1.00 0.00 N ATOM 352 CZ ARG A 23 33.420 -35.728 -23.970 1.00 0.00 C ATOM 353 NH1 ARG A 23 32.419 -35.778 -23.081 1.00 0.00 N ATOM 354 NH2 ARG A 23 33.589 -36.728 -24.846 1.00 0.00 N ATOM 0 H ARG A 23 36.022 -29.831 -21.874 1.00 0.00 H new ATOM 0 HA ARG A 23 34.757 -32.209 -21.017 1.00 0.00 H new ATOM 0 HB2 ARG A 23 36.924 -31.454 -22.958 1.00 0.00 H new ATOM 0 HB3 ARG A 23 36.806 -33.139 -22.490 1.00 0.00 H new ATOM 0 HG2 ARG A 23 34.501 -31.467 -23.602 1.00 0.00 H new ATOM 0 HG3 ARG A 23 35.444 -32.617 -24.529 1.00 0.00 H new ATOM 0 HD2 ARG A 23 34.422 -33.832 -22.053 1.00 0.00 H new ATOM 0 HD3 ARG A 23 33.118 -33.173 -23.020 1.00 0.00 H new ATOM 0 HE ARG A 23 35.001 -34.671 -24.676 1.00 0.00 H new ATOM 0 HH11 ARG A 23 32.289 -35.016 -22.416 1.00 0.00 H new ATOM 0 HH12 ARG A 23 31.786 -36.578 -23.070 1.00 0.00 H new ATOM 0 HH21 ARG A 23 34.350 -36.689 -25.524 1.00 0.00 H new ATOM 0 HH22 ARG A 23 32.957 -37.528 -24.835 1.00 0.00 H new ATOM 368 N ASP A 24 37.382 -31.394 -19.449 1.00 0.00 N ATOM 369 CA ASP A 24 38.334 -31.755 -18.413 1.00 0.00 C ATOM 370 C ASP A 24 38.067 -30.913 -17.164 1.00 0.00 C ATOM 371 O ASP A 24 38.960 -30.711 -16.344 1.00 0.00 O ATOM 372 CB ASP A 24 39.770 -31.485 -18.865 1.00 0.00 C ATOM 373 CG ASP A 24 40.704 -32.695 -18.807 1.00 0.00 C ATOM 374 OD1 ASP A 24 41.877 -32.528 -19.207 1.00 0.00 O ATOM 375 OD2 ASP A 24 40.226 -33.761 -18.361 1.00 0.00 O ATOM 0 H ASP A 24 37.280 -30.391 -19.604 1.00 0.00 H new ATOM 0 HA ASP A 24 38.215 -32.818 -18.203 1.00 0.00 H new ATOM 0 HB2 ASP A 24 39.748 -31.110 -19.888 1.00 0.00 H new ATOM 0 HB3 ASP A 24 40.188 -30.692 -18.244 1.00 0.00 H new ATOM 380 N GLN A 25 36.831 -30.444 -17.058 1.00 0.00 N ATOM 381 CA GLN A 25 36.434 -29.629 -15.923 1.00 0.00 C ATOM 382 C GLN A 25 35.524 -30.427 -14.989 1.00 0.00 C ATOM 383 O GLN A 25 34.432 -30.836 -15.379 1.00 0.00 O ATOM 384 CB GLN A 25 35.750 -28.340 -16.386 1.00 0.00 C ATOM 385 CG GLN A 25 36.730 -27.164 -16.372 1.00 0.00 C ATOM 386 CD GLN A 25 36.231 -26.047 -15.453 1.00 0.00 C ATOM 387 OE1 GLN A 25 36.066 -26.220 -14.257 1.00 0.00 O ATOM 388 NE2 GLN A 25 36.002 -24.895 -16.077 1.00 0.00 N ATOM 0 H GLN A 25 36.092 -30.614 -17.740 1.00 0.00 H new ATOM 0 HA GLN A 25 37.331 -29.348 -15.371 1.00 0.00 H new ATOM 0 HB2 GLN A 25 35.353 -28.476 -17.392 1.00 0.00 H new ATOM 0 HB3 GLN A 25 34.903 -28.120 -15.736 1.00 0.00 H new ATOM 0 HG2 GLN A 25 37.709 -27.506 -16.037 1.00 0.00 H new ATOM 0 HG3 GLN A 25 36.856 -26.779 -17.384 1.00 0.00 H new ATOM 0 HE21 GLN A 25 36.161 -24.819 -17.082 1.00 0.00 H new ATOM 0 HE22 GLN A 25 35.667 -24.088 -15.551 1.00 0.00 H new ATOM 397 N CYS A 26 36.008 -30.624 -13.771 1.00 0.00 N ATOM 398 CA CYS A 26 35.251 -31.367 -12.776 1.00 0.00 C ATOM 399 C CYS A 26 33.879 -30.708 -12.627 1.00 0.00 C ATOM 400 O CYS A 26 33.783 -29.491 -12.476 1.00 0.00 O ATOM 401 CB CYS A 26 35.996 -31.445 -11.442 1.00 0.00 C ATOM 402 SG CYS A 26 34.992 -32.365 -10.219 1.00 0.00 S ATOM 0 H CYS A 26 36.914 -30.283 -13.450 1.00 0.00 H new ATOM 0 HA CYS A 26 35.123 -32.398 -13.106 1.00 0.00 H new ATOM 0 HB2 CYS A 26 36.958 -31.939 -11.581 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.204 -30.441 -11.073 1.00 0.00 H new ATOM 407 N ALA A 27 32.850 -31.541 -12.675 1.00 0.00 N ATOM 408 CA ALA A 27 31.486 -31.054 -12.546 1.00 0.00 C ATOM 409 C ALA A 27 30.991 -31.309 -11.120 1.00 0.00 C ATOM 410 O ALA A 27 29.809 -31.575 -10.909 1.00 0.00 O ATOM 411 CB ALA A 27 30.603 -31.726 -13.599 1.00 0.00 C ATOM 0 H ALA A 27 32.933 -32.550 -12.801 1.00 0.00 H new ATOM 0 HA ALA A 27 31.443 -29.979 -12.722 1.00 0.00 H new ATOM 0 HB1 ALA A 27 29.580 -31.361 -13.503 1.00 0.00 H new ATOM 0 HB2 ALA A 27 30.980 -31.490 -14.594 1.00 0.00 H new ATOM 0 HB3 ALA A 27 30.618 -32.806 -13.451 1.00 0.00 H new ATOM 417 N TYR A 28 31.920 -31.219 -10.181 1.00 0.00 N ATOM 418 CA TYR A 28 31.592 -31.435 -8.781 1.00 0.00 C ATOM 419 C TYR A 28 32.076 -30.268 -7.918 1.00 0.00 C ATOM 420 O TYR A 28 31.291 -29.665 -7.187 1.00 0.00 O ATOM 421 CB TYR A 28 32.337 -32.705 -8.365 1.00 0.00 C ATOM 422 CG TYR A 28 31.809 -33.344 -7.080 1.00 0.00 C ATOM 423 CD1 TYR A 28 30.821 -34.305 -7.143 1.00 0.00 C ATOM 424 CD2 TYR A 28 32.321 -32.958 -5.857 1.00 0.00 C ATOM 425 CE1 TYR A 28 30.324 -34.906 -5.932 1.00 0.00 C ATOM 426 CE2 TYR A 28 31.824 -33.560 -4.647 1.00 0.00 C ATOM 427 CZ TYR A 28 30.850 -34.505 -4.744 1.00 0.00 C ATOM 428 OH TYR A 28 30.380 -35.073 -3.601 1.00 0.00 O ATOM 0 H TYR A 28 32.900 -31.000 -10.361 1.00 0.00 H new ATOM 0 HA TYR A 28 30.514 -31.520 -8.648 1.00 0.00 H new ATOM 0 HB2 TYR A 28 32.272 -33.433 -9.174 1.00 0.00 H new ATOM 0 HB3 TYR A 28 33.393 -32.468 -8.233 1.00 0.00 H new ATOM 0 HD1 TYR A 28 30.421 -34.606 -8.100 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.094 -32.205 -5.808 1.00 0.00 H new ATOM 0 HE1 TYR A 28 29.550 -35.659 -5.967 1.00 0.00 H new ATOM 0 HE2 TYR A 28 32.216 -33.268 -3.684 1.00 0.00 H new ATOM 0 HH TYR A 28 30.848 -34.691 -2.829 1.00 0.00 H new ATOM 438 N CYS A 29 33.365 -29.986 -8.029 1.00 0.00 N ATOM 439 CA CYS A 29 33.962 -28.902 -7.268 1.00 0.00 C ATOM 440 C CYS A 29 34.213 -27.729 -8.218 1.00 0.00 C ATOM 441 O CYS A 29 34.297 -26.581 -7.783 1.00 0.00 O ATOM 442 CB CYS A 29 35.244 -29.347 -6.560 1.00 0.00 C ATOM 443 SG CYS A 29 36.493 -29.862 -7.793 1.00 0.00 S ATOM 0 H CYS A 29 34.013 -30.489 -8.635 1.00 0.00 H new ATOM 0 HA CYS A 29 33.278 -28.589 -6.479 1.00 0.00 H new ATOM 0 HB2 CYS A 29 35.636 -28.531 -5.952 1.00 0.00 H new ATOM 0 HB3 CYS A 29 35.027 -30.173 -5.883 1.00 0.00 H new ATOM 448 N LYS A 30 34.326 -28.058 -9.496 1.00 0.00 N ATOM 449 CA LYS A 30 34.566 -27.045 -10.510 1.00 0.00 C ATOM 450 C LYS A 30 36.073 -26.882 -10.716 1.00 0.00 C ATOM 451 O LYS A 30 36.536 -25.816 -11.120 1.00 0.00 O ATOM 452 CB LYS A 30 33.850 -25.743 -10.148 1.00 0.00 C ATOM 453 CG LYS A 30 32.464 -26.023 -9.563 1.00 0.00 C ATOM 454 CD LYS A 30 31.374 -25.322 -10.376 1.00 0.00 C ATOM 455 CE LYS A 30 30.905 -26.200 -11.537 1.00 0.00 C ATOM 456 NZ LYS A 30 31.692 -25.909 -12.757 1.00 0.00 N ATOM 0 H LYS A 30 34.256 -29.011 -9.853 1.00 0.00 H new ATOM 0 HA LYS A 30 34.145 -27.357 -11.466 1.00 0.00 H new ATOM 0 HB2 LYS A 30 34.447 -25.184 -9.427 1.00 0.00 H new ATOM 0 HB3 LYS A 30 33.754 -25.118 -11.036 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.280 -27.097 -9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.427 -25.683 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 30 30.529 -25.086 -9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 30 31.755 -24.376 -10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 30 31.011 -27.252 -11.271 1.00 0.00 H new ATOM 0 HE3 LYS A 30 29.847 -26.024 -11.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 31.306 -26.451 -13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 31.639 -24.892 -12.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 32.684 -26.179 -12.603 1.00 0.00 H new ATOM 470 N GLU A 31 36.797 -27.954 -10.428 1.00 0.00 N ATOM 471 CA GLU A 31 38.242 -27.942 -10.576 1.00 0.00 C ATOM 472 C GLU A 31 38.646 -28.604 -11.894 1.00 0.00 C ATOM 473 O GLU A 31 38.307 -29.760 -12.143 1.00 0.00 O ATOM 474 CB GLU A 31 38.921 -28.629 -9.388 1.00 0.00 C ATOM 475 CG GLU A 31 38.669 -27.856 -8.091 1.00 0.00 C ATOM 476 CD GLU A 31 39.715 -26.757 -7.896 1.00 0.00 C ATOM 477 OE1 GLU A 31 39.963 -26.411 -6.721 1.00 0.00 O ATOM 478 OE2 GLU A 31 40.243 -26.286 -8.928 1.00 0.00 O ATOM 0 H GLU A 31 36.410 -28.836 -10.093 1.00 0.00 H new ATOM 0 HA GLU A 31 38.577 -26.905 -10.595 1.00 0.00 H new ATOM 0 HB2 GLU A 31 38.544 -29.647 -9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 31 39.993 -28.702 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 31 37.673 -27.415 -8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 31 38.694 -28.542 -7.244 1.00 0.00 H new ATOM 485 N LYS A 32 39.365 -27.843 -12.706 1.00 0.00 N ATOM 486 CA LYS A 32 39.818 -28.340 -13.994 1.00 0.00 C ATOM 487 C LYS A 32 41.074 -29.191 -13.793 1.00 0.00 C ATOM 488 O LYS A 32 42.009 -28.773 -13.111 1.00 0.00 O ATOM 489 CB LYS A 32 40.008 -27.185 -14.979 1.00 0.00 C ATOM 490 CG LYS A 32 40.284 -27.707 -16.390 1.00 0.00 C ATOM 491 CD LYS A 32 40.604 -26.557 -17.347 1.00 0.00 C ATOM 492 CE LYS A 32 42.108 -26.273 -17.381 1.00 0.00 C ATOM 493 NZ LYS A 32 42.419 -25.242 -18.395 1.00 0.00 N ATOM 0 H LYS A 32 39.645 -26.885 -12.497 1.00 0.00 H new ATOM 0 HA LYS A 32 39.062 -28.986 -14.440 1.00 0.00 H new ATOM 0 HB2 LYS A 32 39.116 -26.559 -14.987 1.00 0.00 H new ATOM 0 HB3 LYS A 32 40.836 -26.556 -14.652 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.119 -28.408 -16.366 1.00 0.00 H new ATOM 0 HG3 LYS A 32 39.416 -28.257 -16.754 1.00 0.00 H new ATOM 0 HD2 LYS A 32 40.255 -26.805 -18.349 1.00 0.00 H new ATOM 0 HD3 LYS A 32 40.068 -25.660 -17.036 1.00 0.00 H new ATOM 0 HE2 LYS A 32 42.443 -25.938 -16.399 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.652 -27.190 -17.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 43.443 -25.062 -18.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 42.118 -25.575 -19.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 41.915 -24.363 -18.162 1.00 0.00 H new ATOM 507 N GLY A 33 41.057 -30.368 -14.400 1.00 0.00 N ATOM 508 CA GLY A 33 42.183 -31.280 -14.297 1.00 0.00 C ATOM 509 C GLY A 33 41.709 -32.708 -14.019 1.00 0.00 C ATOM 510 O GLY A 33 42.182 -33.656 -14.643 1.00 0.00 O ATOM 0 H GLY A 33 40.281 -30.711 -14.965 1.00 0.00 H new ATOM 0 HA2 GLY A 33 42.759 -31.258 -15.222 1.00 0.00 H new ATOM 0 HA3 GLY A 33 42.849 -30.952 -13.499 1.00 0.00 H new ATOM 514 N HIS A 34 40.778 -32.816 -13.081 1.00 0.00 N ATOM 515 CA HIS A 34 40.234 -34.112 -12.713 1.00 0.00 C ATOM 516 C HIS A 34 38.743 -34.157 -13.053 1.00 0.00 C ATOM 517 O HIS A 34 38.102 -33.117 -13.190 1.00 0.00 O ATOM 518 CB HIS A 34 40.518 -34.421 -11.242 1.00 0.00 C ATOM 519 CG HIS A 34 39.752 -33.552 -10.273 1.00 0.00 C ATOM 520 ND1 HIS A 34 40.316 -32.459 -9.640 1.00 0.00 N ATOM 521 CD2 HIS A 34 38.461 -33.626 -9.837 1.00 0.00 C ATOM 522 CE1 HIS A 34 39.398 -31.908 -8.859 1.00 0.00 C ATOM 523 NE2 HIS A 34 38.249 -32.633 -8.983 1.00 0.00 N ATOM 0 H HIS A 34 40.387 -32.027 -12.566 1.00 0.00 H new ATOM 0 HA HIS A 34 40.726 -34.896 -13.290 1.00 0.00 H new ATOM 0 HB2 HIS A 34 40.275 -35.466 -11.047 1.00 0.00 H new ATOM 0 HB3 HIS A 34 41.585 -34.302 -11.056 1.00 0.00 H new ATOM 0 HD1 HIS A 34 41.276 -32.133 -9.755 1.00 0.00 H new ATOM 0 HD2 HIS A 34 37.735 -34.367 -10.136 1.00 0.00 H new ATOM 0 HE1 HIS A 34 39.535 -31.038 -8.234 1.00 0.00 H new ATOM 531 N TRP A 35 38.235 -35.374 -13.178 1.00 0.00 N ATOM 532 CA TRP A 35 36.831 -35.570 -13.498 1.00 0.00 C ATOM 533 C TRP A 35 36.058 -35.688 -12.183 1.00 0.00 C ATOM 534 O TRP A 35 36.645 -35.948 -11.134 1.00 0.00 O ATOM 535 CB TRP A 35 36.641 -36.780 -14.414 1.00 0.00 C ATOM 536 CG TRP A 35 36.668 -36.442 -15.906 1.00 0.00 C ATOM 537 CD1 TRP A 35 37.412 -35.520 -16.529 1.00 0.00 C ATOM 538 CD2 TRP A 35 35.882 -37.067 -16.943 1.00 0.00 C ATOM 539 NE1 TRP A 35 37.165 -35.503 -17.887 1.00 0.00 N ATOM 540 CE2 TRP A 35 36.204 -36.473 -18.146 1.00 0.00 C ATOM 541 CE3 TRP A 35 34.930 -38.098 -16.867 1.00 0.00 C ATOM 542 CZ2 TRP A 35 35.622 -36.844 -19.365 1.00 0.00 C ATOM 543 CZ3 TRP A 35 34.357 -38.456 -18.093 1.00 0.00 C ATOM 544 CH2 TRP A 35 34.670 -37.869 -19.313 1.00 0.00 C ATOM 0 H TRP A 35 38.770 -36.235 -13.063 1.00 0.00 H new ATOM 0 HA TRP A 35 36.440 -34.719 -14.056 1.00 0.00 H new ATOM 0 HB2 TRP A 35 37.424 -37.509 -14.203 1.00 0.00 H new ATOM 0 HB3 TRP A 35 35.690 -37.256 -14.177 1.00 0.00 H new ATOM 0 HD1 TRP A 35 38.117 -34.871 -16.031 1.00 0.00 H new ATOM 0 HE1 TRP A 35 37.606 -34.891 -18.574 1.00 0.00 H new ATOM 0 HE3 TRP A 35 34.662 -38.576 -15.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 35.893 -36.365 -20.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 33.619 -39.245 -18.090 1.00 0.00 H new ATOM 0 HH2 TRP A 35 34.181 -38.202 -20.217 1.00 0.00 H new ATOM 555 N ALA A 36 34.752 -35.490 -12.282 1.00 0.00 N ATOM 556 CA ALA A 36 33.892 -35.571 -11.114 1.00 0.00 C ATOM 557 C ALA A 36 34.003 -36.968 -10.500 1.00 0.00 C ATOM 558 O ALA A 36 33.945 -37.121 -9.281 1.00 0.00 O ATOM 559 CB ALA A 36 32.456 -35.221 -11.510 1.00 0.00 C ATOM 0 H ALA A 36 34.268 -35.274 -13.154 1.00 0.00 H new ATOM 0 HA ALA A 36 34.205 -34.852 -10.357 1.00 0.00 H new ATOM 0 HB1 ALA A 36 31.812 -35.282 -10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 36 32.426 -34.208 -11.912 1.00 0.00 H new ATOM 0 HB3 ALA A 36 32.106 -35.923 -12.267 1.00 0.00 H new ATOM 565 N LYS A 37 34.160 -37.952 -11.373 1.00 0.00 N ATOM 566 CA LYS A 37 34.279 -39.332 -10.932 1.00 0.00 C ATOM 567 C LYS A 37 35.609 -39.515 -10.199 1.00 0.00 C ATOM 568 O LYS A 37 35.851 -40.561 -9.598 1.00 0.00 O ATOM 569 CB LYS A 37 34.089 -40.289 -12.110 1.00 0.00 C ATOM 570 CG LYS A 37 32.695 -40.136 -12.722 1.00 0.00 C ATOM 571 CD LYS A 37 32.399 -41.272 -13.703 1.00 0.00 C ATOM 572 CE LYS A 37 31.259 -40.896 -14.652 1.00 0.00 C ATOM 573 NZ LYS A 37 31.755 -40.019 -15.736 1.00 0.00 N ATOM 0 H LYS A 37 34.208 -37.821 -12.383 1.00 0.00 H new ATOM 0 HA LYS A 37 33.488 -39.575 -10.223 1.00 0.00 H new ATOM 0 HB2 LYS A 37 34.847 -40.092 -12.869 1.00 0.00 H new ATOM 0 HB3 LYS A 37 34.232 -41.316 -11.775 1.00 0.00 H new ATOM 0 HG2 LYS A 37 31.945 -40.129 -11.931 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.623 -39.178 -13.237 1.00 0.00 H new ATOM 0 HD2 LYS A 37 33.295 -41.502 -14.279 1.00 0.00 H new ATOM 0 HD3 LYS A 37 32.135 -42.174 -13.151 1.00 0.00 H new ATOM 0 HE2 LYS A 37 30.820 -41.798 -15.078 1.00 0.00 H new ATOM 0 HE3 LYS A 37 30.469 -40.388 -14.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 31.434 -39.044 -15.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 32.795 -40.043 -15.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 31.385 -40.353 -16.649 1.00 0.00 H new ATOM 587 N ASP A 38 36.436 -38.482 -10.272 1.00 0.00 N ATOM 588 CA ASP A 38 37.735 -38.517 -9.623 1.00 0.00 C ATOM 589 C ASP A 38 37.894 -37.274 -8.743 1.00 0.00 C ATOM 590 O ASP A 38 39.012 -36.886 -8.408 1.00 0.00 O ATOM 591 CB ASP A 38 38.866 -38.513 -10.654 1.00 0.00 C ATOM 592 CG ASP A 38 40.074 -39.379 -10.291 1.00 0.00 C ATOM 593 OD1 ASP A 38 40.968 -38.844 -9.600 1.00 0.00 O ATOM 594 OD2 ASP A 38 40.076 -40.555 -10.713 1.00 0.00 O ATOM 0 H ASP A 38 36.231 -37.616 -10.771 1.00 0.00 H new ATOM 0 HA ASP A 38 37.791 -39.429 -9.029 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.468 -38.854 -11.610 1.00 0.00 H new ATOM 0 HB3 ASP A 38 39.203 -37.486 -10.797 1.00 0.00 H new ATOM 599 N CYS A 39 36.758 -36.688 -8.393 1.00 0.00 N ATOM 600 CA CYS A 39 36.757 -35.498 -7.559 1.00 0.00 C ATOM 601 C CYS A 39 37.252 -35.889 -6.165 1.00 0.00 C ATOM 602 O CYS A 39 36.768 -36.856 -5.579 1.00 0.00 O ATOM 603 CB CYS A 39 35.375 -34.843 -7.510 1.00 0.00 C ATOM 604 SG CYS A 39 35.478 -33.228 -6.655 1.00 0.00 S ATOM 0 H CYS A 39 35.833 -37.015 -8.672 1.00 0.00 H new ATOM 0 HA CYS A 39 37.426 -34.751 -7.986 1.00 0.00 H new ATOM 0 HB2 CYS A 39 34.993 -34.705 -8.521 1.00 0.00 H new ATOM 0 HB3 CYS A 39 34.673 -35.495 -6.990 1.00 0.00 H new ATOM 609 N PRO A 40 38.237 -35.097 -5.662 1.00 0.00 N ATOM 610 CA PRO A 40 38.803 -35.350 -4.348 1.00 0.00 C ATOM 611 C PRO A 40 37.840 -34.915 -3.243 1.00 0.00 C ATOM 612 O PRO A 40 38.148 -35.042 -2.059 1.00 0.00 O ATOM 613 CB PRO A 40 40.115 -34.581 -4.331 1.00 0.00 C ATOM 614 CG PRO A 40 40.013 -33.557 -5.450 1.00 0.00 C ATOM 615 CD PRO A 40 38.834 -33.943 -6.329 1.00 0.00 C ATOM 0 HA PRO A 40 38.975 -36.410 -4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 40 40.269 -34.093 -3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 40 40.961 -35.249 -4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 40 39.872 -32.557 -5.040 1.00 0.00 H new ATOM 0 HG3 PRO A 40 40.933 -33.536 -6.033 1.00 0.00 H new ATOM 0 HD2 PRO A 40 38.121 -33.124 -6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 40 39.158 -34.193 -7.339 1.00 0.00 H new ATOM 623 N LYS A 41 36.692 -34.407 -3.667 1.00 0.00 N ATOM 624 CA LYS A 41 35.681 -33.952 -2.728 1.00 0.00 C ATOM 625 C LYS A 41 34.659 -35.068 -2.505 1.00 0.00 C ATOM 626 O LYS A 41 33.931 -35.059 -1.513 1.00 0.00 O ATOM 627 CB LYS A 41 35.061 -32.637 -3.204 1.00 0.00 C ATOM 628 CG LYS A 41 34.420 -31.879 -2.040 1.00 0.00 C ATOM 629 CD LYS A 41 33.434 -30.826 -2.548 1.00 0.00 C ATOM 630 CE LYS A 41 32.269 -30.650 -1.571 1.00 0.00 C ATOM 631 NZ LYS A 41 31.892 -29.222 -1.465 1.00 0.00 N ATOM 0 H LYS A 41 36.440 -34.300 -4.650 1.00 0.00 H new ATOM 0 HA LYS A 41 36.131 -33.733 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 41 35.828 -32.017 -3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.310 -32.840 -3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 41 33.903 -32.581 -1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 41 35.195 -31.398 -1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 41 33.949 -29.875 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 41 33.052 -31.121 -3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 41 31.413 -31.234 -1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 41 32.549 -31.032 -0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 31.100 -29.121 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 32.706 -28.673 -1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 31.605 -28.868 -2.400 1.00 0.00 H new ATOM 645 N LYS A 42 34.638 -36.004 -3.442 1.00 0.00 N ATOM 646 CA LYS A 42 33.717 -37.125 -3.360 1.00 0.00 C ATOM 647 C LYS A 42 34.226 -38.122 -2.317 1.00 0.00 C ATOM 648 O LYS A 42 35.426 -38.199 -2.061 1.00 0.00 O ATOM 649 CB LYS A 42 33.496 -37.740 -4.743 1.00 0.00 C ATOM 650 CG LYS A 42 32.176 -37.264 -5.351 1.00 0.00 C ATOM 651 CD LYS A 42 31.620 -38.296 -6.334 1.00 0.00 C ATOM 652 CE LYS A 42 31.391 -37.674 -7.713 1.00 0.00 C ATOM 653 NZ LYS A 42 31.316 -38.727 -8.750 1.00 0.00 N ATOM 0 H LYS A 42 35.244 -36.009 -4.262 1.00 0.00 H new ATOM 0 HA LYS A 42 32.735 -36.788 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 42 34.322 -37.470 -5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 42 33.493 -38.827 -4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 42 31.450 -37.085 -4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 42 32.329 -36.314 -5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 42 32.314 -39.132 -6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 42 30.681 -38.698 -5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 42 30.468 -37.094 -7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 42 32.201 -36.983 -7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 31.859 -38.430 -9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 31.714 -39.612 -8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 30.323 -38.880 -9.018 1.00 0.00 H new ATOM 667 N PRO A 43 33.263 -38.881 -1.729 1.00 0.00 N ATOM 668 CA PRO A 43 33.601 -39.870 -0.720 1.00 0.00 C ATOM 669 C PRO A 43 34.236 -41.107 -1.357 1.00 0.00 C ATOM 670 O PRO A 43 33.835 -41.527 -2.441 1.00 0.00 O ATOM 671 CB PRO A 43 32.292 -40.172 -0.010 1.00 0.00 C ATOM 672 CG PRO A 43 31.191 -39.695 -0.944 1.00 0.00 C ATOM 673 CD PRO A 43 31.830 -38.817 -2.007 1.00 0.00 C ATOM 0 HA PRO A 43 34.348 -39.511 -0.012 1.00 0.00 H new ATOM 0 HB2 PRO A 43 32.196 -41.238 0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 43 32.240 -39.657 0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 43 30.686 -40.544 -1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 43 30.436 -39.136 -0.391 1.00 0.00 H new ATOM 0 HD2 PRO A 43 31.604 -39.181 -3.009 1.00 0.00 H new ATOM 0 HD3 PRO A 43 31.461 -37.793 -1.949 1.00 0.00 H new ATOM 681 N ARG A 44 35.216 -41.658 -0.656 1.00 0.00 N ATOM 682 CA ARG A 44 35.910 -42.840 -1.139 1.00 0.00 C ATOM 683 C ARG A 44 35.789 -43.978 -0.124 1.00 0.00 C ATOM 684 O ARG A 44 36.646 -44.135 0.743 1.00 0.00 O ATOM 685 CB ARG A 44 37.390 -42.544 -1.390 1.00 0.00 C ATOM 686 CG ARG A 44 37.574 -41.687 -2.644 1.00 0.00 C ATOM 687 CD ARG A 44 38.838 -42.091 -3.405 1.00 0.00 C ATOM 688 NE ARG A 44 38.500 -42.422 -4.808 1.00 0.00 N ATOM 689 CZ ARG A 44 39.391 -42.844 -5.715 1.00 0.00 C ATOM 690 NH1 ARG A 44 40.678 -42.989 -5.373 1.00 0.00 N ATOM 691 NH2 ARG A 44 38.994 -43.122 -6.965 1.00 0.00 N ATOM 0 H ARG A 44 35.546 -41.308 0.243 1.00 0.00 H new ATOM 0 HA ARG A 44 35.446 -43.137 -2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 44 37.812 -42.028 -0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 44 37.938 -43.480 -1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 44 36.705 -41.795 -3.293 1.00 0.00 H new ATOM 0 HG3 ARG A 44 37.635 -40.635 -2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 44 39.564 -41.278 -3.379 1.00 0.00 H new ATOM 0 HD3 ARG A 44 39.304 -42.950 -2.922 1.00 0.00 H new ATOM 0 HE ARG A 44 37.528 -42.323 -5.102 1.00 0.00 H new ATOM 0 HH11 ARG A 44 40.980 -42.778 -4.422 1.00 0.00 H new ATOM 0 HH12 ARG A 44 41.356 -43.310 -6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 44 38.014 -43.012 -7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 44 39.672 -43.443 -7.656 1.00 0.00 H new ATOM 705 N GLY A 45 34.717 -44.744 -0.267 1.00 0.00 N ATOM 706 CA GLY A 45 34.473 -45.863 0.626 1.00 0.00 C ATOM 707 C GLY A 45 34.584 -47.194 -0.120 1.00 0.00 C ATOM 708 O GLY A 45 34.780 -47.215 -1.334 1.00 0.00 O ATOM 0 H GLY A 45 34.008 -44.611 -0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 45 35.190 -45.841 1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.481 -45.771 1.067 1.00 0.00 H new ATOM 712 N PRO A 46 34.451 -48.303 0.658 1.00 0.00 N ATOM 713 CA PRO A 46 34.221 -48.189 2.088 1.00 0.00 C ATOM 714 C PRO A 46 35.504 -47.788 2.819 1.00 0.00 C ATOM 715 O PRO A 46 36.604 -47.992 2.309 1.00 0.00 O ATOM 716 CB PRO A 46 33.698 -49.552 2.511 1.00 0.00 C ATOM 717 CG PRO A 46 34.092 -50.513 1.400 1.00 0.00 C ATOM 718 CD PRO A 46 34.516 -49.687 0.198 1.00 0.00 C ATOM 0 HA PRO A 46 33.505 -47.406 2.338 1.00 0.00 H new ATOM 0 HB2 PRO A 46 34.131 -49.858 3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 46 32.616 -49.531 2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 46 34.907 -51.159 1.726 1.00 0.00 H new ATOM 0 HG3 PRO A 46 33.255 -51.161 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 46 35.523 -49.949 -0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 46 33.853 -49.854 -0.651 1.00 0.00 H new ATOM 726 N ARG A 47 35.319 -47.223 4.003 1.00 0.00 N ATOM 727 CA ARG A 47 36.448 -46.790 4.810 1.00 0.00 C ATOM 728 C ARG A 47 37.586 -47.809 4.720 1.00 0.00 C ATOM 729 O ARG A 47 37.479 -48.914 5.252 1.00 0.00 O ATOM 730 CB ARG A 47 36.043 -46.616 6.275 1.00 0.00 C ATOM 731 CG ARG A 47 36.991 -45.655 6.996 1.00 0.00 C ATOM 732 CD ARG A 47 36.209 -44.640 7.833 1.00 0.00 C ATOM 733 NE ARG A 47 35.648 -45.299 9.033 1.00 0.00 N ATOM 734 CZ ARG A 47 34.634 -44.804 9.757 1.00 0.00 C ATOM 735 NH1 ARG A 47 34.066 -43.642 9.407 1.00 0.00 N ATOM 736 NH2 ARG A 47 34.190 -45.470 10.831 1.00 0.00 N ATOM 0 H ARG A 47 34.405 -47.055 4.423 1.00 0.00 H new ATOM 0 HA ARG A 47 36.785 -45.829 4.421 1.00 0.00 H new ATOM 0 HB2 ARG A 47 35.023 -46.236 6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 47 36.051 -47.584 6.776 1.00 0.00 H new ATOM 0 HG2 ARG A 47 37.667 -46.219 7.639 1.00 0.00 H new ATOM 0 HG3 ARG A 47 37.609 -45.131 6.266 1.00 0.00 H new ATOM 0 HD2 ARG A 47 36.863 -43.820 8.130 1.00 0.00 H new ATOM 0 HD3 ARG A 47 35.406 -44.207 7.237 1.00 0.00 H new ATOM 0 HE ARG A 47 36.058 -46.185 9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 47 34.405 -43.134 8.590 1.00 0.00 H new ATOM 0 HH12 ARG A 47 33.295 -43.265 9.958 1.00 0.00 H new ATOM 0 HH21 ARG A 47 34.623 -46.354 11.098 1.00 0.00 H new ATOM 0 HH22 ARG A 47 33.419 -45.093 11.382 1.00 0.00 H new ATOM 750 N GLY A 48 38.650 -47.402 4.044 1.00 0.00 N ATOM 751 CA GLY A 48 39.807 -48.266 3.877 1.00 0.00 C ATOM 752 C GLY A 48 40.432 -48.610 5.230 1.00 0.00 C ATOM 753 O GLY A 48 39.891 -48.258 6.277 1.00 0.00 O ATOM 0 H GLY A 48 38.736 -46.485 3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 48 39.511 -49.182 3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 48 40.546 -47.773 3.246 1.00 0.00 H new ATOM 757 N PRO A 49 41.595 -49.313 5.165 1.00 0.00 N ATOM 758 CA PRO A 49 42.301 -49.710 6.371 1.00 0.00 C ATOM 759 C PRO A 49 43.019 -48.516 7.003 1.00 0.00 C ATOM 760 O PRO A 49 44.247 -48.464 7.021 1.00 0.00 O ATOM 761 CB PRO A 49 43.252 -50.809 5.927 1.00 0.00 C ATOM 762 CG PRO A 49 43.379 -50.666 4.419 1.00 0.00 C ATOM 763 CD PRO A 49 42.265 -49.748 3.943 1.00 0.00 C ATOM 0 HA PRO A 49 41.631 -50.073 7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 49 44.222 -50.705 6.412 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.865 -51.792 6.195 1.00 0.00 H new ATOM 0 HG2 PRO A 49 44.353 -50.253 4.155 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.304 -51.640 3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 49 42.662 -48.900 3.386 1.00 0.00 H new ATOM 0 HD3 PRO A 49 41.577 -50.272 3.279 1.00 0.00 H new ATOM 771 N ARG A 50 42.221 -47.585 7.507 1.00 0.00 N ATOM 772 CA ARG A 50 42.765 -46.395 8.138 1.00 0.00 C ATOM 773 C ARG A 50 41.817 -45.893 9.230 1.00 0.00 C ATOM 774 O ARG A 50 40.600 -46.022 9.108 1.00 0.00 O ATOM 775 CB ARG A 50 42.988 -45.281 7.114 1.00 0.00 C ATOM 776 CG ARG A 50 41.655 -44.698 6.639 1.00 0.00 C ATOM 777 CD ARG A 50 41.286 -43.448 7.440 1.00 0.00 C ATOM 778 NE ARG A 50 41.461 -42.240 6.603 1.00 0.00 N ATOM 779 CZ ARG A 50 40.625 -41.881 5.619 1.00 0.00 C ATOM 780 NH1 ARG A 50 39.552 -42.634 5.344 1.00 0.00 N ATOM 781 NH2 ARG A 50 40.864 -40.768 4.911 1.00 0.00 N ATOM 0 H ARG A 50 41.202 -47.631 7.491 1.00 0.00 H new ATOM 0 HA ARG A 50 43.725 -46.663 8.580 1.00 0.00 H new ATOM 0 HB2 ARG A 50 43.597 -44.492 7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 50 43.543 -45.672 6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 50 41.720 -44.449 5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 50 40.869 -45.446 6.743 1.00 0.00 H new ATOM 0 HD2 ARG A 50 40.253 -43.517 7.782 1.00 0.00 H new ATOM 0 HD3 ARG A 50 41.912 -43.378 8.329 1.00 0.00 H new ATOM 0 HE ARG A 50 42.268 -41.644 6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 50 39.371 -43.481 5.883 1.00 0.00 H new ATOM 0 HH12 ARG A 50 38.916 -42.361 4.595 1.00 0.00 H new ATOM 0 HH21 ARG A 50 41.681 -40.195 5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 50 40.228 -40.494 4.162 1.00 0.00 H new ATOM 795 N PRO A 51 42.427 -45.316 10.299 1.00 0.00 N ATOM 796 CA PRO A 51 41.652 -44.794 11.412 1.00 0.00 C ATOM 797 C PRO A 51 40.980 -43.472 11.039 1.00 0.00 C ATOM 798 O PRO A 51 41.584 -42.629 10.376 1.00 0.00 O ATOM 799 CB PRO A 51 42.645 -44.655 12.554 1.00 0.00 C ATOM 800 CG PRO A 51 44.023 -44.660 11.909 1.00 0.00 C ATOM 801 CD PRO A 51 43.866 -45.147 10.478 1.00 0.00 C ATOM 0 HA PRO A 51 40.830 -45.451 11.696 1.00 0.00 H new ATOM 0 HB2 PRO A 51 42.476 -43.732 13.108 1.00 0.00 H new ATOM 0 HB3 PRO A 51 42.542 -45.476 13.263 1.00 0.00 H new ATOM 0 HG2 PRO A 51 44.456 -43.660 11.927 1.00 0.00 H new ATOM 0 HG3 PRO A 51 44.701 -45.311 12.462 1.00 0.00 H new ATOM 0 HD2 PRO A 51 44.271 -44.426 9.768 1.00 0.00 H new ATOM 0 HD3 PRO A 51 44.398 -46.085 10.319 1.00 0.00 H new ATOM 809 N GLN A 52 39.738 -43.331 11.479 1.00 0.00 N ATOM 810 CA GLN A 52 38.977 -42.124 11.200 1.00 0.00 C ATOM 811 C GLN A 52 37.891 -41.925 12.258 1.00 0.00 C ATOM 812 O GLN A 52 37.074 -42.816 12.491 1.00 0.00 O ATOM 813 CB GLN A 52 38.372 -42.171 9.796 1.00 0.00 C ATOM 814 CG GLN A 52 37.824 -40.802 9.388 1.00 0.00 C ATOM 815 CD GLN A 52 36.400 -40.922 8.840 1.00 0.00 C ATOM 816 OE1 GLN A 52 36.175 -41.295 7.701 1.00 0.00 O ATOM 817 NE2 GLN A 52 35.454 -40.586 9.713 1.00 0.00 N ATOM 0 H GLN A 52 39.239 -44.032 12.027 1.00 0.00 H new ATOM 0 HA GLN A 52 39.656 -41.272 11.240 1.00 0.00 H new ATOM 0 HB2 GLN A 52 39.129 -42.491 9.081 1.00 0.00 H new ATOM 0 HB3 GLN A 52 37.572 -42.911 9.766 1.00 0.00 H new ATOM 0 HG2 GLN A 52 37.831 -40.132 10.248 1.00 0.00 H new ATOM 0 HG3 GLN A 52 38.472 -40.357 8.633 1.00 0.00 H new ATOM 0 HE21 GLN A 52 35.711 -40.282 10.652 1.00 0.00 H new ATOM 0 HE22 GLN A 52 34.471 -40.633 9.443 1.00 0.00 H new ATOM 826 N THR A 53 37.917 -40.751 12.873 1.00 0.00 N ATOM 827 CA THR A 53 36.943 -40.423 13.901 1.00 0.00 C ATOM 828 C THR A 53 36.553 -38.947 13.815 1.00 0.00 C ATOM 829 O THR A 53 37.375 -38.068 14.072 1.00 0.00 O ATOM 830 CB THR A 53 37.537 -40.817 15.255 1.00 0.00 C ATOM 831 OG1 THR A 53 37.161 -42.182 15.415 1.00 0.00 O ATOM 832 CG2 THR A 53 36.855 -40.102 16.423 1.00 0.00 C ATOM 0 H THR A 53 38.597 -40.016 12.679 1.00 0.00 H new ATOM 0 HA THR A 53 36.016 -40.979 13.761 1.00 0.00 H new ATOM 0 HB THR A 53 38.603 -40.591 15.264 1.00 0.00 H new ATOM 0 HG1 THR A 53 36.931 -42.563 14.542 1.00 0.00 H new ATOM 0 HG21 THR A 53 37.314 -40.417 17.360 1.00 0.00 H new ATOM 0 HG22 THR A 53 36.970 -39.024 16.307 1.00 0.00 H new ATOM 0 HG23 THR A 53 35.795 -40.355 16.435 1.00 0.00 H new ATOM 840 N SER A 54 35.300 -38.719 13.451 1.00 0.00 N ATOM 841 CA SER A 54 34.791 -37.363 13.328 1.00 0.00 C ATOM 842 C SER A 54 33.668 -37.132 14.341 1.00 0.00 C ATOM 843 O SER A 54 32.733 -37.927 14.429 1.00 0.00 O ATOM 844 CB SER A 54 34.290 -37.091 11.908 1.00 0.00 C ATOM 845 OG SER A 54 35.354 -37.067 10.961 1.00 0.00 O ATOM 0 H SER A 54 34.622 -39.450 13.237 1.00 0.00 H new ATOM 0 HA SER A 54 35.607 -36.670 13.536 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.570 -37.859 11.625 1.00 0.00 H new ATOM 0 HB3 SER A 54 33.764 -36.137 11.886 1.00 0.00 H new ATOM 0 HG SER A 54 34.992 -36.892 10.067 1.00 0.00 H new ATOM 851 N LEU A 55 33.797 -36.040 15.080 1.00 0.00 N ATOM 852 CA LEU A 55 32.805 -35.694 16.083 1.00 0.00 C ATOM 853 C LEU A 55 33.132 -34.317 16.664 1.00 0.00 C ATOM 854 O LEU A 55 34.209 -33.775 16.418 1.00 0.00 O ATOM 855 CB LEU A 55 32.701 -36.797 17.137 1.00 0.00 C ATOM 856 CG LEU A 55 33.734 -36.746 18.266 1.00 0.00 C ATOM 857 CD1 LEU A 55 33.063 -36.923 19.630 1.00 0.00 C ATOM 858 CD2 LEU A 55 34.848 -37.769 18.038 1.00 0.00 C ATOM 0 H LEU A 55 34.574 -35.383 15.004 1.00 0.00 H new ATOM 0 HA LEU A 55 31.816 -35.623 15.631 1.00 0.00 H new ATOM 0 HB2 LEU A 55 31.706 -36.756 17.580 1.00 0.00 H new ATOM 0 HB3 LEU A 55 32.788 -37.761 16.635 1.00 0.00 H new ATOM 0 HG LEU A 55 34.198 -35.760 18.260 1.00 0.00 H new ATOM 0 HD11 LEU A 55 33.818 -36.883 20.415 1.00 0.00 H new ATOM 0 HD12 LEU A 55 32.337 -36.125 19.784 1.00 0.00 H new ATOM 0 HD13 LEU A 55 32.556 -37.887 19.664 1.00 0.00 H new ATOM 0 HD21 LEU A 55 35.568 -37.711 18.855 1.00 0.00 H new ATOM 0 HD22 LEU A 55 34.420 -38.771 18.002 1.00 0.00 H new ATOM 0 HD23 LEU A 55 35.351 -37.555 17.095 1.00 0.00 H new ATOM 870 N LEU A 56 32.184 -33.790 17.425 1.00 0.00 N ATOM 871 CA LEU A 56 32.358 -32.487 18.044 1.00 0.00 C ATOM 872 C LEU A 56 33.408 -32.589 19.152 1.00 0.00 C ATOM 873 O LEU A 56 34.591 -32.783 18.876 1.00 0.00 O ATOM 874 CB LEU A 56 31.013 -31.936 18.519 1.00 0.00 C ATOM 875 CG LEU A 56 30.672 -30.514 18.066 1.00 0.00 C ATOM 876 CD1 LEU A 56 29.157 -30.309 17.998 1.00 0.00 C ATOM 877 CD2 LEU A 56 31.351 -29.476 18.960 1.00 0.00 C ATOM 0 H LEU A 56 31.292 -34.242 17.627 1.00 0.00 H new ATOM 0 HA LEU A 56 32.732 -31.766 17.317 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.226 -32.605 18.172 1.00 0.00 H new ATOM 0 HB3 LEU A 56 30.996 -31.963 19.609 1.00 0.00 H new ATOM 0 HG LEU A 56 31.062 -30.374 17.058 1.00 0.00 H new ATOM 0 HD11 LEU A 56 28.942 -29.291 17.674 1.00 0.00 H new ATOM 0 HD12 LEU A 56 28.726 -31.015 17.288 1.00 0.00 H new ATOM 0 HD13 LEU A 56 28.723 -30.475 18.984 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.092 -28.475 18.616 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.014 -29.605 19.988 1.00 0.00 H new ATOM 0 HD23 LEU A 56 32.432 -29.607 18.914 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P A B 493 21.068 -31.394 -4.724 1.00 0.00 P ATOM 891 OP1 A B 493 20.367 -32.146 -3.659 1.00 0.00 O ATOM 892 OP2 A B 493 20.300 -30.357 -5.447 1.00 0.00 O ATOM 893 O5' A B 493 22.351 -30.694 -4.072 1.00 0.00 O ATOM 894 C5' A B 493 22.264 -29.354 -3.590 1.00 0.00 C ATOM 895 C4' A B 493 23.168 -29.174 -2.392 1.00 0.00 C ATOM 896 O4' A B 493 22.968 -30.249 -1.455 1.00 0.00 O ATOM 897 C3' A B 493 24.619 -29.583 -2.629 1.00 0.00 C ATOM 898 O3' A B 493 25.295 -28.548 -3.339 1.00 0.00 O ATOM 899 C2' A B 493 25.204 -29.785 -1.258 1.00 0.00 C ATOM 900 O2' A B 493 25.507 -28.469 -0.854 1.00 0.00 O ATOM 901 C1' A B 493 24.025 -30.436 -0.540 1.00 0.00 C ATOM 902 N9 A B 493 24.231 -31.870 -0.248 1.00 0.00 N ATOM 903 C8 A B 493 24.540 -32.849 -1.124 1.00 0.00 C ATOM 904 N7 A B 493 24.658 -34.038 -0.544 1.00 0.00 N ATOM 905 C5 A B 493 24.407 -33.785 0.778 1.00 0.00 C ATOM 906 C6 A B 493 24.380 -34.635 1.904 1.00 0.00 C ATOM 907 N6 A B 493 24.622 -35.971 1.865 1.00 0.00 N ATOM 908 N1 A B 493 24.093 -34.070 3.109 1.00 0.00 N ATOM 909 C2 A B 493 23.852 -32.740 3.157 1.00 0.00 C ATOM 910 N3 A B 493 23.851 -31.842 2.156 1.00 0.00 N ATOM 911 C4 A B 493 24.144 -32.468 0.982 1.00 0.00 C ATOM 0 H5' A B 493 21.234 -29.124 -3.316 1.00 0.00 H new ATOM 0 H5'' A B 493 22.548 -28.657 -4.378 1.00 0.00 H new ATOM 0 H4' A B 493 22.972 -28.137 -2.120 1.00 0.00 H new ATOM 0 H3' A B 493 24.711 -30.489 -3.228 1.00 0.00 H new ATOM 0 H2' A B 493 26.098 -30.391 -1.112 1.00 0.00 H new ATOM 0 HO2' A B 493 25.597 -27.897 -1.644 1.00 0.00 H new ATOM 0 H1' A B 493 23.852 -29.998 0.443 1.00 0.00 H new ATOM 0 H8 A B 493 24.677 -32.683 -2.182 1.00 0.00 H new ATOM 0 H61 A B 493 24.584 -36.521 2.723 1.00 0.00 H new ATOM 0 H62 A B 493 24.841 -36.424 0.978 1.00 0.00 H new ATOM 0 H2 A B 493 23.629 -32.344 4.137 1.00 0.00 H new ATOM 923 P A B 494 25.464 -28.645 -4.927 1.00 0.00 P ATOM 924 OP1 A B 494 25.795 -27.311 -5.475 1.00 0.00 O ATOM 925 OP2 A B 494 24.302 -29.354 -5.509 1.00 0.00 O ATOM 926 O5' A B 494 26.751 -29.582 -5.094 1.00 0.00 O ATOM 927 C5' A B 494 27.289 -29.827 -6.392 1.00 0.00 C ATOM 928 C4' A B 494 27.635 -31.291 -6.542 1.00 0.00 C ATOM 929 O4' A B 494 28.985 -31.540 -6.132 1.00 0.00 O ATOM 930 C3' A B 494 26.790 -32.230 -5.685 1.00 0.00 C ATOM 931 O3' A B 494 26.140 -33.182 -6.525 1.00 0.00 O ATOM 932 C2' A B 494 27.761 -32.893 -4.748 1.00 0.00 C ATOM 933 O2' A B 494 28.022 -34.121 -5.389 1.00 0.00 O ATOM 934 C1' A B 494 28.907 -31.886 -4.767 1.00 0.00 C ATOM 935 N9 A B 494 28.661 -30.695 -3.928 1.00 0.00 N ATOM 936 C8 A B 494 27.898 -30.620 -2.817 1.00 0.00 C ATOM 937 N7 A B 494 27.881 -29.400 -2.289 1.00 0.00 N ATOM 938 C5 A B 494 28.684 -28.669 -3.123 1.00 0.00 C ATOM 939 C6 A B 494 29.065 -27.311 -3.102 1.00 0.00 C ATOM 940 N6 A B 494 28.663 -26.414 -2.163 1.00 0.00 N ATOM 941 N1 A B 494 29.892 -26.876 -4.091 1.00 0.00 N ATOM 942 C2 A B 494 30.297 -27.762 -5.029 1.00 0.00 C ATOM 943 N3 A B 494 29.999 -29.069 -5.146 1.00 0.00 N ATOM 944 C4 A B 494 29.171 -29.440 -4.131 1.00 0.00 C ATOM 0 H5' A B 494 28.179 -29.217 -6.546 1.00 0.00 H new ATOM 0 H5'' A B 494 26.567 -29.536 -7.155 1.00 0.00 H new ATOM 0 H4' A B 494 27.457 -31.491 -7.598 1.00 0.00 H new ATOM 0 H3' A B 494 26.008 -31.711 -5.131 1.00 0.00 H new ATOM 0 H2' A B 494 27.486 -33.111 -3.716 1.00 0.00 H new ATOM 0 HO2' A B 494 28.990 -34.262 -5.444 1.00 0.00 H new ATOM 0 H1' A B 494 29.826 -32.303 -4.354 1.00 0.00 H new ATOM 0 H8 A B 494 27.360 -31.460 -2.402 1.00 0.00 H new ATOM 0 H61 A B 494 28.981 -25.446 -2.213 1.00 0.00 H new ATOM 0 H62 A B 494 28.044 -26.709 -1.408 1.00 0.00 H new ATOM 0 H2 A B 494 30.951 -27.365 -5.791 1.00 0.00 H new ATOM 956 P C B 495 25.182 -32.685 -7.707 1.00 0.00 P ATOM 957 OP1 C B 495 25.364 -31.231 -7.917 1.00 0.00 O ATOM 958 OP2 C B 495 23.805 -33.172 -7.469 1.00 0.00 O ATOM 959 O5' C B 495 25.763 -33.448 -8.987 1.00 0.00 O ATOM 960 C5' C B 495 26.529 -32.734 -9.955 1.00 0.00 C ATOM 961 C4' C B 495 27.313 -33.701 -10.813 1.00 0.00 C ATOM 962 O4' C B 495 28.325 -34.367 -10.043 1.00 0.00 O ATOM 963 C3' C B 495 26.555 -34.973 -11.183 1.00 0.00 C ATOM 964 O3' C B 495 25.724 -34.717 -12.313 1.00 0.00 O ATOM 965 C2' C B 495 27.617 -35.989 -11.497 1.00 0.00 C ATOM 966 O2' C B 495 28.025 -35.622 -12.796 1.00 0.00 O ATOM 967 C1' C B 495 28.625 -35.701 -10.388 1.00 0.00 C ATOM 968 N1 C B 495 28.489 -36.598 -9.220 1.00 0.00 N ATOM 969 C2 C B 495 28.869 -37.929 -9.379 1.00 0.00 C ATOM 970 O2 C B 495 29.299 -38.296 -10.478 1.00 0.00 O ATOM 971 N3 C B 495 28.755 -38.764 -8.331 1.00 0.00 N ATOM 972 C4 C B 495 28.295 -38.357 -7.165 1.00 0.00 C ATOM 973 N4 C B 495 28.190 -39.197 -6.143 1.00 0.00 N ATOM 974 C5 C B 495 27.893 -36.983 -6.975 1.00 0.00 C ATOM 975 C6 C B 495 28.013 -36.162 -8.029 1.00 0.00 C ATOM 0 H5' C B 495 27.210 -32.045 -9.455 1.00 0.00 H new ATOM 0 H5'' C B 495 25.869 -32.133 -10.581 1.00 0.00 H new ATOM 0 H4' C B 495 27.613 -33.065 -11.646 1.00 0.00 H new ATOM 0 H3' C B 495 25.903 -35.327 -10.385 1.00 0.00 H new ATOM 0 H2' C B 495 27.387 -37.054 -11.511 1.00 0.00 H new ATOM 0 HO2' C B 495 27.650 -36.251 -13.447 1.00 0.00 H new ATOM 0 H1' C B 495 29.652 -35.861 -10.715 1.00 0.00 H new ATOM 0 H41 C B 495 27.832 -38.867 -5.247 1.00 0.00 H new ATOM 0 H42 C B 495 28.467 -40.172 -6.254 1.00 0.00 H new ATOM 0 H5 C B 495 27.513 -36.632 -6.027 1.00 0.00 H new ATOM 0 H6 C B 495 27.723 -35.127 -7.925 1.00 0.00 H new ATOM 987 P A B 496 25.009 -35.932 -13.071 1.00 0.00 P ATOM 988 OP1 A B 496 23.941 -36.494 -12.214 1.00 0.00 O ATOM 989 OP2 A B 496 26.032 -36.868 -13.588 1.00 0.00 O ATOM 990 O5' A B 496 24.315 -35.216 -14.322 1.00 0.00 O ATOM 991 C5' A B 496 24.454 -35.772 -15.628 1.00 0.00 C ATOM 992 C4' A B 496 25.195 -34.808 -16.527 1.00 0.00 C ATOM 993 O4' A B 496 25.310 -33.583 -15.785 1.00 0.00 O ATOM 994 C3' A B 496 26.710 -34.993 -16.536 1.00 0.00 C ATOM 995 O3' A B 496 27.054 -36.031 -17.451 1.00 0.00 O ATOM 996 C2' A B 496 27.269 -33.667 -16.969 1.00 0.00 C ATOM 997 O2' A B 496 27.155 -33.727 -18.373 1.00 0.00 O ATOM 998 C1' A B 496 26.304 -32.711 -16.273 1.00 0.00 C ATOM 999 N9 A B 496 26.927 -31.942 -15.175 1.00 0.00 N ATOM 1000 C8 A B 496 27.153 -32.356 -13.910 1.00 0.00 C ATOM 1001 N7 A B 496 27.731 -31.424 -13.161 1.00 0.00 N ATOM 1002 C5 A B 496 27.876 -30.361 -14.012 1.00 0.00 C ATOM 1003 C6 A B 496 28.421 -29.075 -13.817 1.00 0.00 C ATOM 1004 N6 A B 496 28.944 -28.630 -12.645 1.00 0.00 N ATOM 1005 N1 A B 496 28.422 -28.226 -14.881 1.00 0.00 N ATOM 1006 C2 A B 496 27.903 -28.660 -16.052 1.00 0.00 C ATOM 1007 N3 A B 496 27.362 -29.856 -16.349 1.00 0.00 N ATOM 1008 C4 A B 496 27.392 -30.656 -15.247 1.00 0.00 C ATOM 0 H5' A B 496 23.471 -35.989 -16.046 1.00 0.00 H new ATOM 0 H5'' A B 496 24.993 -36.718 -15.574 1.00 0.00 H new ATOM 0 H4' A B 496 24.688 -34.890 -17.488 1.00 0.00 H new ATOM 0 H3' A B 496 27.109 -35.283 -15.564 1.00 0.00 H new ATOM 0 H2' A B 496 28.295 -33.385 -16.731 1.00 0.00 H new ATOM 0 HO2' A B 496 27.096 -34.663 -18.657 1.00 0.00 H new ATOM 0 H1' A B 496 25.933 -31.939 -16.947 1.00 0.00 H new ATOM 0 H8 A B 496 26.892 -33.339 -13.546 1.00 0.00 H new ATOM 0 H61 A B 496 29.321 -27.684 -12.581 1.00 0.00 H new ATOM 0 H62 A B 496 28.960 -29.242 -11.829 1.00 0.00 H new ATOM 0 H2 A B 496 27.926 -27.947 -16.863 1.00 0.00 H new ATOM 1020 P G B 497 27.160 -37.544 -16.941 1.00 0.00 P ATOM 1021 OP1 G B 497 25.827 -38.184 -17.000 1.00 0.00 O ATOM 1022 OP2 G B 497 27.881 -37.587 -15.650 1.00 0.00 O ATOM 1023 O5' G B 497 28.088 -38.233 -18.049 1.00 0.00 O ATOM 1024 C5' G B 497 27.852 -37.981 -19.433 1.00 0.00 C ATOM 1025 C4' G B 497 29.124 -37.504 -20.097 1.00 0.00 C ATOM 1026 O4' G B 497 29.460 -36.225 -19.477 1.00 0.00 O ATOM 1027 C3' G B 497 30.385 -38.229 -19.639 1.00 0.00 C ATOM 1028 O3' G B 497 30.599 -39.375 -20.460 1.00 0.00 O ATOM 1029 C2' G B 497 31.496 -37.227 -19.790 1.00 0.00 C ATOM 1030 O2' G B 497 31.725 -37.226 -21.181 1.00 0.00 O ATOM 1031 C1' G B 497 30.826 -35.973 -19.235 1.00 0.00 C ATOM 1032 N9 G B 497 31.083 -35.757 -17.796 1.00 0.00 N ATOM 1033 C8 G B 497 30.484 -36.374 -16.754 1.00 0.00 C ATOM 1034 N7 G B 497 30.940 -35.953 -15.578 1.00 0.00 N ATOM 1035 C5 G B 497 31.883 -35.015 -15.907 1.00 0.00 C ATOM 1036 C6 G B 497 32.719 -34.210 -15.106 1.00 0.00 C ATOM 1037 O6 G B 497 32.746 -34.214 -13.876 1.00 0.00 O ATOM 1038 N1 G B 497 33.566 -33.358 -15.745 1.00 0.00 N ATOM 1039 C2 G B 497 33.558 -33.332 -17.096 1.00 0.00 C ATOM 1040 N2 G B 497 34.438 -32.452 -17.569 1.00 0.00 N ATOM 1041 N3 G B 497 32.809 -34.049 -17.954 1.00 0.00 N ATOM 1042 C4 G B 497 31.985 -34.880 -17.255 1.00 0.00 C ATOM 0 H5' G B 497 27.070 -37.230 -19.546 1.00 0.00 H new ATOM 0 H5'' G B 497 27.496 -38.888 -19.921 1.00 0.00 H new ATOM 0 H4' G B 497 28.926 -37.582 -21.166 1.00 0.00 H new ATOM 0 H3' G B 497 30.320 -38.585 -18.611 1.00 0.00 H new ATOM 0 H2' G B 497 32.456 -37.375 -19.296 1.00 0.00 H new ATOM 0 HO2' G B 497 31.470 -38.095 -21.555 1.00 0.00 H new ATOM 0 H1' G B 497 31.205 -35.064 -19.702 1.00 0.00 H new ATOM 0 H8 G B 497 29.718 -37.127 -16.864 1.00 0.00 H new ATOM 0 H1 G B 497 34.193 -32.752 -15.216 1.00 0.00 H new ATOM 0 H21 G B 497 34.541 -32.325 -18.576 1.00 0.00 H new ATOM 0 H22 G B 497 35.009 -31.905 -16.925 1.00 0.00 H new ATOM 1054 P U B 498 31.252 -40.696 -19.837 1.00 0.00 P ATOM 1055 OP1 U B 498 30.759 -40.892 -18.455 1.00 0.00 O ATOM 1056 OP2 U B 498 32.718 -40.670 -20.041 1.00 0.00 O ATOM 1057 O5' U B 498 30.646 -41.862 -20.749 1.00 0.00 O ATOM 1058 C5' U B 498 30.300 -43.116 -20.166 1.00 0.00 C ATOM 1059 C4' U B 498 31.311 -44.169 -20.560 1.00 0.00 C ATOM 1060 O4' U B 498 32.284 -43.501 -21.416 1.00 0.00 O ATOM 1061 C3' U B 498 32.380 -44.444 -19.507 1.00 0.00 C ATOM 1062 O3' U B 498 31.863 -45.367 -18.536 1.00 0.00 O ATOM 1063 C2' U B 498 33.541 -45.028 -20.262 1.00 0.00 C ATOM 1064 O2' U B 498 33.152 -46.372 -20.438 1.00 0.00 O ATOM 1065 C1' U B 498 33.522 -44.168 -21.523 1.00 0.00 C ATOM 1066 N1 U B 498 34.642 -43.208 -21.599 1.00 0.00 N ATOM 1067 C2 U B 498 35.438 -43.297 -22.699 1.00 0.00 C ATOM 1068 O2 U B 498 35.269 -44.110 -23.594 1.00 0.00 O ATOM 1069 N3 U B 498 36.482 -42.402 -22.772 1.00 0.00 N ATOM 1070 C4 U B 498 36.743 -41.458 -21.812 1.00 0.00 C ATOM 1071 O4 U B 498 37.704 -40.711 -21.982 1.00 0.00 O ATOM 1072 C5 U B 498 35.881 -41.409 -20.684 1.00 0.00 C ATOM 1073 C6 U B 498 34.874 -42.285 -20.633 1.00 0.00 C ATOM 0 H5' U B 498 29.305 -43.416 -20.494 1.00 0.00 H new ATOM 0 H5'' U B 498 30.264 -43.024 -19.081 1.00 0.00 H new ATOM 0 H4' U B 498 30.703 -45.016 -20.876 1.00 0.00 H new ATOM 0 H3' U B 498 32.683 -43.549 -18.964 1.00 0.00 H new ATOM 0 H2' U B 498 34.545 -45.027 -19.837 1.00 0.00 H new ATOM 0 HO2' U B 498 32.504 -46.618 -19.746 1.00 0.00 H new ATOM 0 HO3' U B 498 32.548 -45.547 -17.859 1.00 0.00 H new ATOM 0 H1' U B 498 33.636 -44.764 -22.429 1.00 0.00 H new ATOM 0 H3 U B 498 37.096 -42.443 -23.586 1.00 0.00 H new ATOM 0 H5 U B 498 36.035 -40.688 -19.895 1.00 0.00 H new ATOM 0 H6 U B 498 34.212 -42.257 -19.780 1.00 0.00 H new TER 1084 U B 498 HETATM 1085 ZN ZN A 57 36.415 -32.082 -8.419 1.00 0.00 ZN