USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 52 GLN : amide:sc= -0.408 K(o=-0.41,f=-2.8) USER MOD Set 1.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 519 U O2' : rot -15:sc= 0.0833 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= -0.0128 X(o=-0.013,f=-0.091) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.8!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0375 X(o=-0.037,f=-0.3) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 0.0767 (180deg=0.0766) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 0.388 (180deg=0.27) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 517 U O2' : rot -15:sc= 0.478 USER MOD Single : B 518 U O2' : rot -14:sc= 0.404 USER MOD Single : B 520 U O2' : rot -15:sc= 0.351 USER MOD Single : B 521 G O2' : rot -26:sc= 0.242! USER MOD Single : B 522 C O2' : rot -34:sc= 0.453 USER MOD Single : B 523 U O2' : rot -29:sc= 0.442 USER MOD Single : B 523 U O3' : rot 180:sc= 0.319 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -33.088 12.969 -12.797 1.00 0.00 N ATOM 2 CA ALA A 1 -33.553 14.194 -13.425 1.00 0.00 C ATOM 3 C ALA A 1 -33.350 14.095 -14.938 1.00 0.00 C ATOM 4 O ALA A 1 -34.312 14.158 -15.702 1.00 0.00 O ATOM 5 CB ALA A 1 -32.819 15.390 -12.816 1.00 0.00 C ATOM 0 H1 ALA A 1 -33.225 13.033 -11.768 1.00 0.00 H new ATOM 0 H2 ALA A 1 -33.628 12.162 -13.168 1.00 0.00 H new ATOM 0 H3 ALA A 1 -32.078 12.834 -13.004 1.00 0.00 H new ATOM 0 HA ALA A 1 -34.618 14.338 -13.244 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -33.168 16.309 -13.287 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -33.019 15.433 -11.745 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -31.747 15.282 -12.981 1.00 0.00 H new ATOM 11 N THR A 2 -32.092 13.942 -15.326 1.00 0.00 N ATOM 12 CA THR A 2 -31.751 13.834 -16.734 1.00 0.00 C ATOM 13 C THR A 2 -32.554 14.844 -17.556 1.00 0.00 C ATOM 14 O THR A 2 -33.544 14.486 -18.192 1.00 0.00 O ATOM 15 CB THR A 2 -31.978 12.383 -17.164 1.00 0.00 C ATOM 16 OG1 THR A 2 -30.892 11.672 -16.576 1.00 0.00 O ATOM 17 CG2 THR A 2 -31.783 12.182 -18.669 1.00 0.00 C ATOM 0 H THR A 2 -31.297 13.890 -14.689 1.00 0.00 H new ATOM 0 HA THR A 2 -30.704 14.080 -16.908 1.00 0.00 H new ATOM 0 HB THR A 2 -32.985 12.075 -16.883 1.00 0.00 H new ATOM 0 HG1 THR A 2 -30.962 10.721 -16.803 1.00 0.00 H new ATOM 0 HG21 THR A 2 -31.956 11.136 -18.922 1.00 0.00 H new ATOM 0 HG22 THR A 2 -32.489 12.808 -19.214 1.00 0.00 H new ATOM 0 HG23 THR A 2 -30.765 12.459 -18.944 1.00 0.00 H new ATOM 25 N VAL A 3 -32.095 16.086 -17.518 1.00 0.00 N ATOM 26 CA VAL A 3 -32.758 17.151 -18.252 1.00 0.00 C ATOM 27 C VAL A 3 -31.833 18.368 -18.322 1.00 0.00 C ATOM 28 O VAL A 3 -31.476 18.941 -17.295 1.00 0.00 O ATOM 29 CB VAL A 3 -34.111 17.466 -17.610 1.00 0.00 C ATOM 30 CG1 VAL A 3 -33.929 18.083 -16.221 1.00 0.00 C ATOM 31 CG2 VAL A 3 -34.946 18.378 -18.510 1.00 0.00 C ATOM 0 H VAL A 3 -31.272 16.379 -16.991 1.00 0.00 H new ATOM 0 HA VAL A 3 -32.964 16.838 -19.276 1.00 0.00 H new ATOM 0 HB VAL A 3 -34.652 16.527 -17.491 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -34.906 18.297 -15.787 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -33.393 17.384 -15.580 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -33.359 19.008 -16.306 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -35.902 18.586 -18.030 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -34.412 19.314 -18.676 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -35.120 17.885 -19.467 1.00 0.00 H new ATOM 41 N VAL A 4 -31.472 18.727 -19.547 1.00 0.00 N ATOM 42 CA VAL A 4 -30.596 19.864 -19.765 1.00 0.00 C ATOM 43 C VAL A 4 -30.959 20.535 -21.091 1.00 0.00 C ATOM 44 O VAL A 4 -30.733 19.968 -22.159 1.00 0.00 O ATOM 45 CB VAL A 4 -29.133 19.419 -19.702 1.00 0.00 C ATOM 46 CG1 VAL A 4 -28.197 20.548 -20.135 1.00 0.00 C ATOM 47 CG2 VAL A 4 -28.774 18.914 -18.303 1.00 0.00 C ATOM 0 H VAL A 4 -31.771 18.250 -20.397 1.00 0.00 H new ATOM 0 HA VAL A 4 -30.730 20.605 -18.977 1.00 0.00 H new ATOM 0 HB VAL A 4 -29.004 18.592 -20.400 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -27.164 20.205 -20.081 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -28.429 20.840 -21.159 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -28.330 21.405 -19.474 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -27.729 18.604 -18.285 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -28.928 19.713 -17.577 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -29.409 18.065 -18.049 1.00 0.00 H new ATOM 57 N SER A 5 -31.516 21.732 -20.979 1.00 0.00 N ATOM 58 CA SER A 5 -31.913 22.485 -22.156 1.00 0.00 C ATOM 59 C SER A 5 -31.907 23.983 -21.845 1.00 0.00 C ATOM 60 O SER A 5 -32.957 24.576 -21.601 1.00 0.00 O ATOM 61 CB SER A 5 -33.296 22.052 -22.648 1.00 0.00 C ATOM 62 OG SER A 5 -33.710 22.790 -23.794 1.00 0.00 O ATOM 0 H SER A 5 -31.702 22.199 -20.091 1.00 0.00 H new ATOM 0 HA SER A 5 -31.194 22.281 -22.950 1.00 0.00 H new ATOM 0 HB2 SER A 5 -33.279 20.989 -22.888 1.00 0.00 H new ATOM 0 HB3 SER A 5 -34.024 22.186 -21.848 1.00 0.00 H new ATOM 0 HG SER A 5 -34.596 22.483 -24.078 1.00 0.00 H new ATOM 68 N GLY A 6 -30.711 24.555 -21.864 1.00 0.00 N ATOM 69 CA GLY A 6 -30.554 25.972 -21.587 1.00 0.00 C ATOM 70 C GLY A 6 -29.117 26.293 -21.169 1.00 0.00 C ATOM 71 O GLY A 6 -28.849 26.535 -19.993 1.00 0.00 O ATOM 0 H GLY A 6 -29.842 24.062 -22.067 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -30.817 26.551 -22.473 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -31.242 26.270 -20.796 1.00 0.00 H new ATOM 75 N GLN A 7 -28.232 26.284 -22.154 1.00 0.00 N ATOM 76 CA GLN A 7 -26.830 26.572 -21.903 1.00 0.00 C ATOM 77 C GLN A 7 -26.470 27.963 -22.428 1.00 0.00 C ATOM 78 O GLN A 7 -26.755 28.289 -23.580 1.00 0.00 O ATOM 79 CB GLN A 7 -25.931 25.502 -22.525 1.00 0.00 C ATOM 80 CG GLN A 7 -24.489 25.641 -22.031 1.00 0.00 C ATOM 81 CD GLN A 7 -24.123 24.501 -21.080 1.00 0.00 C ATOM 82 OE1 GLN A 7 -24.232 23.330 -21.403 1.00 0.00 O ATOM 83 NE2 GLN A 7 -23.682 24.907 -19.892 1.00 0.00 N ATOM 0 H GLN A 7 -28.458 26.082 -23.128 1.00 0.00 H new ATOM 0 HA GLN A 7 -26.664 26.558 -20.826 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -26.311 24.512 -22.274 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -25.957 25.587 -23.611 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -23.808 25.642 -22.882 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -24.366 26.597 -21.523 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -23.615 25.904 -19.686 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -23.411 24.221 -19.187 1.00 0.00 H new ATOM 92 N LYS A 8 -25.849 28.747 -21.559 1.00 0.00 N ATOM 93 CA LYS A 8 -25.449 30.096 -21.920 1.00 0.00 C ATOM 94 C LYS A 8 -24.097 30.046 -22.635 1.00 0.00 C ATOM 95 O LYS A 8 -23.089 29.667 -22.039 1.00 0.00 O ATOM 96 CB LYS A 8 -25.462 31.007 -20.691 1.00 0.00 C ATOM 97 CG LYS A 8 -26.822 31.686 -20.527 1.00 0.00 C ATOM 98 CD LYS A 8 -27.552 31.162 -19.288 1.00 0.00 C ATOM 99 CE LYS A 8 -28.865 31.916 -19.065 1.00 0.00 C ATOM 100 NZ LYS A 8 -30.004 31.141 -19.605 1.00 0.00 N ATOM 0 H LYS A 8 -25.613 28.473 -20.605 1.00 0.00 H new ATOM 0 HA LYS A 8 -26.164 30.532 -22.617 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -25.233 30.424 -19.799 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -24.683 31.763 -20.786 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -26.686 32.764 -20.444 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.430 31.508 -21.414 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.755 30.097 -19.404 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -26.913 31.271 -18.412 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -29.012 32.096 -18.000 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -28.818 32.891 -19.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -30.888 31.666 -19.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -29.869 30.991 -20.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -30.057 30.221 -19.124 1.00 0.00 H new ATOM 114 N GLN A 9 -24.118 30.436 -23.901 1.00 0.00 N ATOM 115 CA GLN A 9 -22.906 30.441 -24.703 1.00 0.00 C ATOM 116 C GLN A 9 -22.805 31.740 -25.504 1.00 0.00 C ATOM 117 O GLN A 9 -23.116 31.766 -26.695 1.00 0.00 O ATOM 118 CB GLN A 9 -22.855 29.222 -25.626 1.00 0.00 C ATOM 119 CG GLN A 9 -21.514 28.495 -25.500 1.00 0.00 C ATOM 120 CD GLN A 9 -21.712 26.978 -25.498 1.00 0.00 C ATOM 121 OE1 GLN A 9 -22.095 26.375 -26.487 1.00 0.00 O ATOM 122 NE2 GLN A 9 -21.429 26.397 -24.335 1.00 0.00 N ATOM 0 H GLN A 9 -24.955 30.751 -24.391 1.00 0.00 H new ATOM 0 HA GLN A 9 -22.049 30.384 -24.032 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -23.668 28.539 -25.378 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -23.007 29.536 -26.659 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -20.863 28.779 -26.327 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -21.015 28.802 -24.581 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -21.113 26.962 -23.547 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -21.528 25.387 -24.232 1.00 0.00 H new ATOM 131 N ASP A 10 -22.371 32.788 -24.820 1.00 0.00 N ATOM 132 CA ASP A 10 -22.226 34.088 -25.453 1.00 0.00 C ATOM 133 C ASP A 10 -20.755 34.314 -25.811 1.00 0.00 C ATOM 134 O ASP A 10 -20.423 34.538 -26.974 1.00 0.00 O ATOM 135 CB ASP A 10 -22.661 35.212 -24.510 1.00 0.00 C ATOM 136 CG ASP A 10 -24.170 35.457 -24.452 1.00 0.00 C ATOM 137 OD1 ASP A 10 -24.721 35.865 -25.497 1.00 0.00 O ATOM 138 OD2 ASP A 10 -24.740 35.231 -23.362 1.00 0.00 O ATOM 0 H ASP A 10 -22.115 32.764 -23.833 1.00 0.00 H new ATOM 0 HA ASP A 10 -22.854 34.102 -26.344 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -22.306 34.981 -23.505 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -22.169 36.135 -24.817 1.00 0.00 H new ATOM 143 N ARG A 11 -19.914 34.250 -24.789 1.00 0.00 N ATOM 144 CA ARG A 11 -18.487 34.445 -24.981 1.00 0.00 C ATOM 145 C ARG A 11 -17.741 33.120 -24.807 1.00 0.00 C ATOM 146 O ARG A 11 -18.061 32.338 -23.913 1.00 0.00 O ATOM 147 CB ARG A 11 -17.933 35.469 -23.988 1.00 0.00 C ATOM 148 CG ARG A 11 -17.904 36.869 -24.604 1.00 0.00 C ATOM 149 CD ARG A 11 -19.271 37.546 -24.491 1.00 0.00 C ATOM 150 NE ARG A 11 -19.595 37.796 -23.068 1.00 0.00 N ATOM 151 CZ ARG A 11 -20.673 38.476 -22.650 1.00 0.00 C ATOM 152 NH1 ARG A 11 -21.536 38.976 -23.545 1.00 0.00 N ATOM 153 NH2 ARG A 11 -20.886 38.654 -21.340 1.00 0.00 N ATOM 0 H ARG A 11 -20.194 34.066 -23.825 1.00 0.00 H new ATOM 0 HA ARG A 11 -18.337 34.819 -25.994 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -18.547 35.477 -23.087 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -16.927 35.180 -23.685 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -17.151 37.476 -24.101 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -17.612 36.803 -25.652 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -19.267 38.486 -25.042 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -20.037 36.915 -24.942 1.00 0.00 H new ATOM 0 HE ARG A 11 -18.958 37.428 -22.361 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -21.373 38.839 -24.543 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -22.356 39.493 -23.229 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -20.228 38.272 -20.660 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.706 39.171 -21.022 1.00 0.00 H new ATOM 167 N GLN A 12 -16.763 32.910 -25.675 1.00 0.00 N ATOM 168 CA GLN A 12 -15.969 31.693 -25.627 1.00 0.00 C ATOM 169 C GLN A 12 -16.877 30.464 -25.707 1.00 0.00 C ATOM 170 O GLN A 12 -17.338 29.961 -24.685 1.00 0.00 O ATOM 171 CB GLN A 12 -15.102 31.652 -24.366 1.00 0.00 C ATOM 172 CG GLN A 12 -13.673 32.107 -24.669 1.00 0.00 C ATOM 173 CD GLN A 12 -12.651 31.146 -24.059 1.00 0.00 C ATOM 174 OE1 GLN A 12 -12.913 29.972 -23.850 1.00 0.00 O ATOM 175 NE2 GLN A 12 -11.477 31.706 -23.785 1.00 0.00 N ATOM 0 H GLN A 12 -16.502 33.561 -26.415 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.301 31.685 -26.488 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.537 32.294 -23.600 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.087 30.639 -23.963 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.526 32.163 -25.748 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -13.515 33.110 -24.273 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.324 32.694 -23.985 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.729 31.147 -23.375 1.00 0.00 H new ATOM 184 N GLY A 13 -17.105 30.016 -26.934 1.00 0.00 N ATOM 185 CA GLY A 13 -17.950 28.857 -27.162 1.00 0.00 C ATOM 186 C GLY A 13 -17.146 27.560 -27.035 1.00 0.00 C ATOM 187 O GLY A 13 -17.451 26.717 -26.195 1.00 0.00 O ATOM 0 H GLY A 13 -16.719 30.435 -27.780 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.770 28.853 -26.444 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -18.396 28.917 -28.155 1.00 0.00 H new ATOM 191 N GLY A 14 -16.135 27.444 -27.883 1.00 0.00 N ATOM 192 CA GLY A 14 -15.286 26.265 -27.876 1.00 0.00 C ATOM 193 C GLY A 14 -15.426 25.480 -29.184 1.00 0.00 C ATOM 194 O GLY A 14 -16.159 25.891 -30.082 1.00 0.00 O ATOM 0 H GLY A 14 -15.885 28.146 -28.579 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.247 26.562 -27.735 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.552 25.626 -27.034 1.00 0.00 H new ATOM 198 N GLU A 15 -14.709 24.367 -29.247 1.00 0.00 N ATOM 199 CA GLU A 15 -14.745 23.522 -30.428 1.00 0.00 C ATOM 200 C GLU A 15 -14.621 22.050 -30.032 1.00 0.00 C ATOM 201 O GLU A 15 -14.054 21.730 -28.988 1.00 0.00 O ATOM 202 CB GLU A 15 -13.648 23.918 -31.419 1.00 0.00 C ATOM 203 CG GLU A 15 -13.976 25.250 -32.097 1.00 0.00 C ATOM 204 CD GLU A 15 -12.963 25.569 -33.198 1.00 0.00 C ATOM 205 OE1 GLU A 15 -11.853 26.019 -32.837 1.00 0.00 O ATOM 206 OE2 GLU A 15 -13.320 25.355 -34.377 1.00 0.00 O ATOM 0 H GLU A 15 -14.101 24.032 -28.500 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.705 23.664 -30.923 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.694 23.996 -30.898 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.536 23.139 -32.174 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.979 25.209 -32.522 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.976 26.049 -31.356 1.00 0.00 H new ATOM 213 N ARG A 16 -15.159 21.192 -30.887 1.00 0.00 N ATOM 214 CA ARG A 16 -15.116 19.761 -30.638 1.00 0.00 C ATOM 215 C ARG A 16 -13.691 19.326 -30.290 1.00 0.00 C ATOM 216 O ARG A 16 -12.745 19.659 -31.001 1.00 0.00 O ATOM 217 CB ARG A 16 -15.598 18.975 -31.859 1.00 0.00 C ATOM 218 CG ARG A 16 -14.695 19.234 -33.068 1.00 0.00 C ATOM 219 CD ARG A 16 -15.374 18.783 -34.363 1.00 0.00 C ATOM 220 NE ARG A 16 -16.332 19.816 -34.818 1.00 0.00 N ATOM 221 CZ ARG A 16 -15.997 20.872 -35.573 1.00 0.00 C ATOM 222 NH1 ARG A 16 -14.725 21.041 -35.961 1.00 0.00 N ATOM 223 NH2 ARG A 16 -16.932 21.759 -35.938 1.00 0.00 N ATOM 0 H ARG A 16 -15.627 21.460 -31.753 1.00 0.00 H new ATOM 0 HA ARG A 16 -15.779 19.550 -29.799 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -15.608 17.909 -31.630 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -16.623 19.259 -32.098 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.457 20.296 -33.128 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -13.752 18.702 -32.943 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.624 18.606 -35.134 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -15.894 17.839 -34.201 1.00 0.00 H new ATOM 0 HE ARG A 16 -17.308 19.718 -34.540 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.013 20.366 -35.682 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.469 21.844 -36.535 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -17.900 21.631 -35.641 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.676 22.562 -36.512 1.00 0.00 H new ATOM 237 N ARG A 17 -13.582 18.588 -29.195 1.00 0.00 N ATOM 238 CA ARG A 17 -12.289 18.104 -28.743 1.00 0.00 C ATOM 239 C ARG A 17 -12.285 16.576 -28.684 1.00 0.00 C ATOM 240 O ARG A 17 -11.427 15.928 -29.282 1.00 0.00 O ATOM 241 CB ARG A 17 -11.943 18.663 -27.362 1.00 0.00 C ATOM 242 CG ARG A 17 -11.133 19.955 -27.480 1.00 0.00 C ATOM 243 CD ARG A 17 -9.657 19.709 -27.161 1.00 0.00 C ATOM 244 NE ARG A 17 -8.899 20.976 -27.261 1.00 0.00 N ATOM 245 CZ ARG A 17 -7.562 21.050 -27.316 1.00 0.00 C ATOM 246 NH1 ARG A 17 -6.828 19.930 -27.282 1.00 0.00 N ATOM 247 NH2 ARG A 17 -6.960 22.244 -27.405 1.00 0.00 N ATOM 0 H ARG A 17 -14.369 18.313 -28.607 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.540 18.445 -29.457 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.859 18.854 -26.803 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.374 17.923 -26.799 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.228 20.357 -28.489 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.536 20.704 -26.799 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.558 19.295 -26.158 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.245 18.974 -27.852 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.427 21.848 -27.290 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.287 19.021 -27.214 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.810 19.986 -27.324 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.519 23.097 -27.431 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.942 22.300 -27.447 1.00 0.00 H new ATOM 261 N ARG A 18 -13.255 16.041 -27.956 1.00 0.00 N ATOM 262 CA ARG A 18 -13.375 14.600 -27.810 1.00 0.00 C ATOM 263 C ARG A 18 -14.758 14.134 -28.268 1.00 0.00 C ATOM 264 O ARG A 18 -15.500 13.528 -27.496 1.00 0.00 O ATOM 265 CB ARG A 18 -13.156 14.174 -26.357 1.00 0.00 C ATOM 266 CG ARG A 18 -14.165 14.851 -25.428 1.00 0.00 C ATOM 267 CD ARG A 18 -13.458 15.531 -24.253 1.00 0.00 C ATOM 268 NE ARG A 18 -14.004 16.892 -24.054 1.00 0.00 N ATOM 269 CZ ARG A 18 -15.092 17.166 -23.323 1.00 0.00 C ATOM 270 NH1 ARG A 18 -15.760 16.174 -22.718 1.00 0.00 N ATOM 271 NH2 ARG A 18 -15.515 18.431 -23.197 1.00 0.00 N ATOM 0 H ARG A 18 -13.965 16.580 -27.461 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.608 14.138 -28.432 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.250 13.091 -26.274 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.143 14.431 -26.048 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.741 15.589 -25.987 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.872 14.112 -25.053 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.591 14.941 -23.347 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.386 15.584 -24.444 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.521 17.671 -24.502 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.440 15.210 -22.814 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.589 16.383 -22.161 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.008 19.187 -23.658 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.344 18.638 -22.640 1.00 0.00 H new ATOM 285 N SER A 19 -15.064 14.434 -29.522 1.00 0.00 N ATOM 286 CA SER A 19 -16.345 14.054 -30.091 1.00 0.00 C ATOM 287 C SER A 19 -17.447 14.184 -29.036 1.00 0.00 C ATOM 288 O SER A 19 -17.360 15.025 -28.144 1.00 0.00 O ATOM 289 CB SER A 19 -16.302 12.625 -30.639 1.00 0.00 C ATOM 290 OG SER A 19 -17.013 12.503 -31.868 1.00 0.00 O ATOM 0 H SER A 19 -14.446 14.936 -30.160 1.00 0.00 H new ATOM 0 HA SER A 19 -16.563 14.727 -30.920 1.00 0.00 H new ATOM 0 HB2 SER A 19 -15.265 12.325 -30.789 1.00 0.00 H new ATOM 0 HB3 SER A 19 -16.728 11.942 -29.904 1.00 0.00 H new ATOM 0 HG SER A 19 -16.961 11.577 -32.186 1.00 0.00 H new ATOM 296 N GLN A 20 -18.458 13.338 -29.174 1.00 0.00 N ATOM 297 CA GLN A 20 -19.574 13.349 -28.245 1.00 0.00 C ATOM 298 C GLN A 20 -19.334 12.346 -27.115 1.00 0.00 C ATOM 299 O GLN A 20 -20.239 11.604 -26.736 1.00 0.00 O ATOM 300 CB GLN A 20 -20.891 13.057 -28.967 1.00 0.00 C ATOM 301 CG GLN A 20 -21.326 14.251 -29.819 1.00 0.00 C ATOM 302 CD GLN A 20 -22.848 14.292 -29.968 1.00 0.00 C ATOM 303 OE1 GLN A 20 -23.595 14.180 -29.009 1.00 0.00 O ATOM 304 NE2 GLN A 20 -23.265 14.460 -31.220 1.00 0.00 N ATOM 0 H GLN A 20 -18.527 12.641 -29.915 1.00 0.00 H new ATOM 0 HA GLN A 20 -19.649 14.345 -27.810 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -20.776 12.177 -29.600 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -21.666 12.825 -28.237 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -20.977 15.176 -29.360 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -20.862 14.188 -30.803 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -22.586 14.547 -31.976 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -24.264 14.502 -31.424 1.00 0.00 H new ATOM 313 N LEU A 21 -18.109 12.354 -26.610 1.00 0.00 N ATOM 314 CA LEU A 21 -17.738 11.455 -25.531 1.00 0.00 C ATOM 315 C LEU A 21 -18.899 11.346 -24.541 1.00 0.00 C ATOM 316 O LEU A 21 -19.217 12.308 -23.844 1.00 0.00 O ATOM 317 CB LEU A 21 -16.423 11.901 -24.889 1.00 0.00 C ATOM 318 CG LEU A 21 -15.530 10.784 -24.344 1.00 0.00 C ATOM 319 CD1 LEU A 21 -14.347 11.360 -23.564 1.00 0.00 C ATOM 320 CD2 LEU A 21 -16.341 9.793 -23.508 1.00 0.00 C ATOM 0 H LEU A 21 -17.360 12.969 -26.929 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.553 10.453 -25.918 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.854 12.466 -25.628 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.654 12.585 -24.073 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.119 10.231 -25.189 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.728 10.545 -23.187 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.752 11.994 -24.221 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.717 11.952 -22.727 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.683 9.009 -23.133 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.799 10.315 -22.668 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -17.120 9.347 -24.127 1.00 0.00 H new ATOM 332 N ASP A 22 -19.503 10.166 -24.512 1.00 0.00 N ATOM 333 CA ASP A 22 -20.622 9.920 -23.619 1.00 0.00 C ATOM 334 C ASP A 22 -20.106 9.791 -22.185 1.00 0.00 C ATOM 335 O ASP A 22 -19.094 9.134 -21.941 1.00 0.00 O ATOM 336 CB ASP A 22 -21.339 8.618 -23.982 1.00 0.00 C ATOM 337 CG ASP A 22 -22.860 8.733 -24.111 1.00 0.00 C ATOM 338 OD1 ASP A 22 -23.408 9.694 -23.532 1.00 0.00 O ATOM 339 OD2 ASP A 22 -23.439 7.855 -24.787 1.00 0.00 O ATOM 0 H ASP A 22 -19.238 9.371 -25.093 1.00 0.00 H new ATOM 0 HA ASP A 22 -21.318 10.754 -23.712 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.936 8.249 -24.925 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -21.109 7.870 -23.223 1.00 0.00 H new ATOM 344 N ARG A 23 -20.824 10.428 -21.272 1.00 0.00 N ATOM 345 CA ARG A 23 -20.451 10.394 -19.868 1.00 0.00 C ATOM 346 C ARG A 23 -20.495 8.957 -19.343 1.00 0.00 C ATOM 347 O ARG A 23 -20.004 8.677 -18.251 1.00 0.00 O ATOM 348 CB ARG A 23 -21.386 11.266 -19.028 1.00 0.00 C ATOM 349 CG ARG A 23 -20.777 12.648 -18.784 1.00 0.00 C ATOM 350 CD ARG A 23 -19.372 12.530 -18.187 1.00 0.00 C ATOM 351 NE ARG A 23 -19.288 13.315 -16.936 1.00 0.00 N ATOM 352 CZ ARG A 23 -18.151 13.528 -16.258 1.00 0.00 C ATOM 353 NH1 ARG A 23 -16.998 13.018 -16.708 1.00 0.00 N ATOM 354 NH2 ARG A 23 -18.170 14.252 -15.131 1.00 0.00 N ATOM 0 H ARG A 23 -21.663 10.971 -21.477 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.437 10.785 -19.784 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.344 11.372 -19.536 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.584 10.778 -18.073 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.732 13.201 -19.722 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.416 13.217 -18.109 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -19.140 11.484 -17.986 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.632 12.889 -18.902 1.00 0.00 H new ATOM 0 HE ARG A 23 -20.148 13.719 -16.566 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.984 12.467 -17.567 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.133 13.180 -16.192 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.049 14.641 -14.789 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.306 14.415 -14.615 1.00 0.00 H new ATOM 368 N ASP A 24 -21.088 8.086 -20.145 1.00 0.00 N ATOM 369 CA ASP A 24 -21.203 6.686 -19.775 1.00 0.00 C ATOM 370 C ASP A 24 -20.630 5.817 -20.896 1.00 0.00 C ATOM 371 O ASP A 24 -21.129 4.723 -21.157 1.00 0.00 O ATOM 372 CB ASP A 24 -22.667 6.288 -19.571 1.00 0.00 C ATOM 373 CG ASP A 24 -23.289 6.765 -18.258 1.00 0.00 C ATOM 374 OD1 ASP A 24 -23.189 6.004 -17.272 1.00 0.00 O ATOM 375 OD2 ASP A 24 -23.851 7.882 -18.270 1.00 0.00 O ATOM 0 H ASP A 24 -21.494 8.323 -21.050 1.00 0.00 H new ATOM 0 HA ASP A 24 -20.655 6.538 -18.844 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.254 6.684 -20.399 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -22.743 5.202 -19.618 1.00 0.00 H new ATOM 380 N GLN A 25 -19.589 6.337 -21.530 1.00 0.00 N ATOM 381 CA GLN A 25 -18.941 5.622 -22.617 1.00 0.00 C ATOM 382 C GLN A 25 -17.536 5.183 -22.202 1.00 0.00 C ATOM 383 O GLN A 25 -17.114 5.427 -21.072 1.00 0.00 O ATOM 384 CB GLN A 25 -18.897 6.478 -23.885 1.00 0.00 C ATOM 385 CG GLN A 25 -19.825 5.912 -24.961 1.00 0.00 C ATOM 386 CD GLN A 25 -19.368 6.338 -26.358 1.00 0.00 C ATOM 387 OE1 GLN A 25 -18.970 7.467 -26.592 1.00 0.00 O ATOM 388 NE2 GLN A 25 -19.449 5.374 -27.270 1.00 0.00 N ATOM 0 H GLN A 25 -19.178 7.245 -21.312 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.527 4.730 -22.840 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.190 7.501 -23.648 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.876 6.519 -24.265 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.842 4.824 -24.896 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -20.844 6.258 -24.786 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -19.791 4.450 -27.006 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -19.169 5.558 -28.233 1.00 0.00 H new ATOM 397 N CYS A 26 -16.849 4.545 -23.138 1.00 0.00 N ATOM 398 CA CYS A 26 -15.499 4.072 -22.883 1.00 0.00 C ATOM 399 C CYS A 26 -14.551 4.776 -23.855 1.00 0.00 C ATOM 400 O CYS A 26 -14.830 4.863 -25.049 1.00 0.00 O ATOM 401 CB CYS A 26 -15.404 2.548 -22.998 1.00 0.00 C ATOM 402 SG CYS A 26 -13.670 2.010 -22.767 1.00 0.00 S ATOM 0 H CYS A 26 -17.202 4.345 -24.074 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.213 4.314 -21.859 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -16.042 2.078 -22.250 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -15.767 2.225 -23.974 1.00 0.00 H new ATOM 407 N ALA A 27 -13.447 5.263 -23.305 1.00 0.00 N ATOM 408 CA ALA A 27 -12.455 5.958 -24.108 1.00 0.00 C ATOM 409 C ALA A 27 -11.259 5.035 -24.344 1.00 0.00 C ATOM 410 O ALA A 27 -10.113 5.484 -24.344 1.00 0.00 O ATOM 411 CB ALA A 27 -12.058 7.262 -23.413 1.00 0.00 C ATOM 0 H ALA A 27 -13.218 5.190 -22.314 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.866 6.221 -25.083 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.314 7.783 -24.015 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.938 7.894 -23.296 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.639 7.038 -22.432 1.00 0.00 H new ATOM 417 N TYR A 28 -11.563 3.761 -24.539 1.00 0.00 N ATOM 418 CA TYR A 28 -10.528 2.770 -24.776 1.00 0.00 C ATOM 419 C TYR A 28 -10.886 1.875 -25.963 1.00 0.00 C ATOM 420 O TYR A 28 -10.087 1.711 -26.885 1.00 0.00 O ATOM 421 CB TYR A 28 -10.464 1.915 -23.509 1.00 0.00 C ATOM 422 CG TYR A 28 -9.074 1.352 -23.206 1.00 0.00 C ATOM 423 CD1 TYR A 28 -8.012 2.209 -23.003 1.00 0.00 C ATOM 424 CD2 TYR A 28 -8.883 -0.013 -23.137 1.00 0.00 C ATOM 425 CE1 TYR A 28 -6.703 1.679 -22.719 1.00 0.00 C ATOM 426 CE2 TYR A 28 -7.574 -0.543 -22.852 1.00 0.00 C ATOM 427 CZ TYR A 28 -6.549 0.329 -22.657 1.00 0.00 C ATOM 428 OH TYR A 28 -5.313 -0.171 -22.389 1.00 0.00 O ATOM 0 H TYR A 28 -12.514 3.391 -24.538 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.578 3.255 -25.002 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.794 2.515 -22.661 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.166 1.087 -23.606 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.162 3.277 -23.057 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.714 -0.684 -23.297 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.863 2.339 -22.559 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.410 -1.609 -22.795 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.818 0.463 -21.829 1.00 0.00 H new ATOM 438 N CYS A 29 -12.086 1.319 -25.903 1.00 0.00 N ATOM 439 CA CYS A 29 -12.560 0.444 -26.963 1.00 0.00 C ATOM 440 C CYS A 29 -13.689 1.159 -27.708 1.00 0.00 C ATOM 441 O CYS A 29 -14.042 0.777 -28.822 1.00 0.00 O ATOM 442 CB CYS A 29 -13.007 -0.914 -26.418 1.00 0.00 C ATOM 443 SG CYS A 29 -14.467 -0.704 -25.334 1.00 0.00 S ATOM 0 H CYS A 29 -12.745 1.457 -25.137 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.745 0.234 -27.656 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.250 -1.584 -27.243 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -12.193 -1.377 -25.860 1.00 0.00 H new ATOM 448 N LYS A 30 -14.223 2.185 -27.063 1.00 0.00 N ATOM 449 CA LYS A 30 -15.305 2.958 -27.650 1.00 0.00 C ATOM 450 C LYS A 30 -16.642 2.294 -27.313 1.00 0.00 C ATOM 451 O LYS A 30 -17.632 2.493 -28.015 1.00 0.00 O ATOM 452 CB LYS A 30 -15.074 3.148 -29.150 1.00 0.00 C ATOM 453 CG LYS A 30 -15.340 4.596 -29.567 1.00 0.00 C ATOM 454 CD LYS A 30 -14.034 5.387 -29.666 1.00 0.00 C ATOM 455 CE LYS A 30 -14.211 6.808 -29.127 1.00 0.00 C ATOM 456 NZ LYS A 30 -14.384 7.767 -30.241 1.00 0.00 N ATOM 0 H LYS A 30 -13.927 2.500 -26.139 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.331 3.961 -27.225 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.049 2.876 -29.401 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.727 2.479 -29.710 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.853 4.613 -30.528 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.003 5.071 -28.843 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.252 4.876 -29.104 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.707 5.427 -30.705 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.078 6.848 -28.467 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.343 7.088 -28.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.503 8.726 -29.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.545 7.741 -30.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.226 7.508 -30.794 1.00 0.00 H new ATOM 470 N GLU A 31 -16.626 1.518 -26.239 1.00 0.00 N ATOM 471 CA GLU A 31 -17.825 0.824 -25.800 1.00 0.00 C ATOM 472 C GLU A 31 -18.739 1.778 -25.029 1.00 0.00 C ATOM 473 O GLU A 31 -18.275 2.766 -24.462 1.00 0.00 O ATOM 474 CB GLU A 31 -17.471 -0.400 -24.954 1.00 0.00 C ATOM 475 CG GLU A 31 -18.726 -1.023 -24.339 1.00 0.00 C ATOM 476 CD GLU A 31 -19.654 -1.574 -25.425 1.00 0.00 C ATOM 477 OE1 GLU A 31 -19.168 -2.414 -26.212 1.00 0.00 O ATOM 478 OE2 GLU A 31 -20.827 -1.142 -25.441 1.00 0.00 O ATOM 0 H GLU A 31 -15.802 1.355 -25.660 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.361 0.473 -26.682 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.960 -1.138 -25.572 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.779 -0.112 -24.163 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -18.442 -1.825 -23.658 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -19.255 -0.275 -23.748 1.00 0.00 H new ATOM 485 N LYS A 32 -20.023 1.450 -25.033 1.00 0.00 N ATOM 486 CA LYS A 32 -21.007 2.265 -24.341 1.00 0.00 C ATOM 487 C LYS A 32 -21.614 1.458 -23.192 1.00 0.00 C ATOM 488 O LYS A 32 -22.285 0.452 -23.421 1.00 0.00 O ATOM 489 CB LYS A 32 -22.043 2.807 -25.328 1.00 0.00 C ATOM 490 CG LYS A 32 -22.929 1.681 -25.865 1.00 0.00 C ATOM 491 CD LYS A 32 -24.281 1.659 -25.149 1.00 0.00 C ATOM 492 CE LYS A 32 -24.853 0.240 -25.102 1.00 0.00 C ATOM 493 NZ LYS A 32 -25.273 -0.105 -23.725 1.00 0.00 N ATOM 0 H LYS A 32 -20.405 0.630 -25.505 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.533 3.142 -23.899 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.661 3.558 -24.836 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -21.537 3.303 -26.156 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -23.083 1.814 -26.936 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -22.427 0.723 -25.731 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.166 2.042 -24.135 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -24.979 2.320 -25.662 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -25.704 0.162 -25.778 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -24.104 -0.472 -25.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -25.674 -1.064 -23.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -24.449 -0.067 -23.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -25.991 0.574 -23.401 1.00 0.00 H new ATOM 507 N GLY A 33 -21.357 1.928 -21.980 1.00 0.00 N ATOM 508 CA GLY A 33 -21.870 1.262 -20.795 1.00 0.00 C ATOM 509 C GLY A 33 -20.816 1.227 -19.686 1.00 0.00 C ATOM 510 O GLY A 33 -21.099 1.586 -18.544 1.00 0.00 O ATOM 0 H GLY A 33 -20.800 2.762 -21.793 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.760 1.780 -20.439 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.172 0.245 -21.047 1.00 0.00 H new ATOM 514 N HIS A 34 -19.623 0.792 -20.062 1.00 0.00 N ATOM 515 CA HIS A 34 -18.525 0.704 -19.114 1.00 0.00 C ATOM 516 C HIS A 34 -17.541 1.849 -19.362 1.00 0.00 C ATOM 517 O HIS A 34 -17.531 2.442 -20.440 1.00 0.00 O ATOM 518 CB HIS A 34 -17.861 -0.673 -19.178 1.00 0.00 C ATOM 519 CG HIS A 34 -17.039 -0.901 -20.423 1.00 0.00 C ATOM 520 ND1 HIS A 34 -17.367 -1.851 -21.375 1.00 0.00 N ATOM 521 CD2 HIS A 34 -15.900 -0.293 -20.863 1.00 0.00 C ATOM 522 CE1 HIS A 34 -16.458 -1.808 -22.339 1.00 0.00 C ATOM 523 NE2 HIS A 34 -15.550 -0.843 -22.020 1.00 0.00 N ATOM 0 H HIS A 34 -19.392 0.496 -21.011 1.00 0.00 H new ATOM 0 HA HIS A 34 -18.906 0.812 -18.099 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -17.221 -0.797 -18.305 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -18.633 -1.440 -19.119 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -18.171 -2.477 -21.341 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.372 0.501 -20.356 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.440 -2.429 -23.222 1.00 0.00 H new ATOM 531 N TRP A 35 -16.737 2.126 -18.346 1.00 0.00 N ATOM 532 CA TRP A 35 -15.751 3.190 -18.439 1.00 0.00 C ATOM 533 C TRP A 35 -14.418 2.563 -18.851 1.00 0.00 C ATOM 534 O TRP A 35 -14.236 1.351 -18.739 1.00 0.00 O ATOM 535 CB TRP A 35 -15.665 3.974 -17.129 1.00 0.00 C ATOM 536 CG TRP A 35 -16.559 5.214 -17.084 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.855 5.308 -17.412 1.00 0.00 C ATOM 538 CD2 TRP A 35 -16.169 6.541 -16.674 1.00 0.00 C ATOM 539 NE1 TRP A 35 -18.327 6.594 -17.243 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.269 7.368 -16.780 1.00 0.00 C ATOM 541 CE3 TRP A 35 -14.927 7.027 -16.227 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.238 8.729 -16.457 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -14.913 8.390 -15.908 1.00 0.00 C ATOM 544 CH2 TRP A 35 -16.011 9.236 -16.010 1.00 0.00 C ATOM 0 H TRP A 35 -16.748 1.632 -17.454 1.00 0.00 H new ATOM 0 HA TRP A 35 -16.040 3.920 -19.195 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -15.935 3.314 -16.305 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -14.631 4.279 -16.967 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -18.455 4.482 -17.764 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -19.277 6.917 -17.424 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.053 6.398 -16.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -18.113 9.355 -16.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.983 8.814 -15.558 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -15.919 10.279 -15.746 1.00 0.00 H new ATOM 555 N ALA A 36 -13.520 3.417 -19.320 1.00 0.00 N ATOM 556 CA ALA A 36 -12.208 2.962 -19.750 1.00 0.00 C ATOM 557 C ALA A 36 -11.515 2.245 -18.588 1.00 0.00 C ATOM 558 O ALA A 36 -10.840 1.238 -18.789 1.00 0.00 O ATOM 559 CB ALA A 36 -11.398 4.153 -20.266 1.00 0.00 C ATOM 0 H ALA A 36 -13.675 4.421 -19.412 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.299 2.250 -20.570 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.414 3.812 -20.588 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.918 4.609 -21.108 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.284 4.888 -19.469 1.00 0.00 H new ATOM 565 N LYS A 37 -11.709 2.793 -17.397 1.00 0.00 N ATOM 566 CA LYS A 37 -11.112 2.219 -16.203 1.00 0.00 C ATOM 567 C LYS A 37 -11.777 0.875 -15.902 1.00 0.00 C ATOM 568 O LYS A 37 -11.253 0.080 -15.123 1.00 0.00 O ATOM 569 CB LYS A 37 -11.178 3.212 -15.041 1.00 0.00 C ATOM 570 CG LYS A 37 -9.976 4.158 -15.059 1.00 0.00 C ATOM 571 CD LYS A 37 -10.168 5.269 -16.094 1.00 0.00 C ATOM 572 CE LYS A 37 -8.822 5.845 -16.535 1.00 0.00 C ATOM 573 NZ LYS A 37 -8.732 7.281 -16.185 1.00 0.00 N ATOM 0 H LYS A 37 -12.271 3.628 -17.234 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.052 2.022 -16.364 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.100 3.789 -15.103 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.204 2.670 -14.096 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.839 4.597 -14.071 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.070 3.596 -15.287 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.701 4.876 -16.960 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.786 6.061 -15.672 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.011 5.297 -16.056 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.701 5.719 -17.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.812 7.656 -16.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.495 7.803 -16.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.826 7.394 -15.155 1.00 0.00 H new ATOM 587 N ASP A 38 -12.920 0.661 -16.536 1.00 0.00 N ATOM 588 CA ASP A 38 -13.662 -0.574 -16.345 1.00 0.00 C ATOM 589 C ASP A 38 -13.729 -1.334 -17.671 1.00 0.00 C ATOM 590 O ASP A 38 -14.516 -2.267 -17.818 1.00 0.00 O ATOM 591 CB ASP A 38 -15.095 -0.292 -15.890 1.00 0.00 C ATOM 592 CG ASP A 38 -15.729 -1.388 -15.031 1.00 0.00 C ATOM 593 OD1 ASP A 38 -15.489 -1.360 -13.806 1.00 0.00 O ATOM 594 OD2 ASP A 38 -16.440 -2.230 -15.622 1.00 0.00 O ATOM 0 H ASP A 38 -13.351 1.322 -17.183 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.150 -1.159 -15.581 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -15.104 0.641 -15.327 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.716 -0.138 -16.772 1.00 0.00 H new ATOM 599 N CYS A 39 -12.891 -0.905 -18.605 1.00 0.00 N ATOM 600 CA CYS A 39 -12.845 -1.533 -19.914 1.00 0.00 C ATOM 601 C CYS A 39 -12.378 -2.979 -19.737 1.00 0.00 C ATOM 602 O CYS A 39 -11.297 -3.225 -19.203 1.00 0.00 O ATOM 603 CB CYS A 39 -11.949 -0.758 -20.882 1.00 0.00 C ATOM 604 SG CYS A 39 -12.119 -1.437 -22.573 1.00 0.00 S ATOM 0 H CYS A 39 -12.239 -0.130 -18.480 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.840 -1.526 -20.359 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.221 0.298 -20.876 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.910 -0.821 -20.559 1.00 0.00 H new ATOM 609 N PRO A 40 -13.237 -3.923 -20.209 1.00 0.00 N ATOM 610 CA PRO A 40 -12.923 -5.338 -20.108 1.00 0.00 C ATOM 611 C PRO A 40 -11.863 -5.739 -21.136 1.00 0.00 C ATOM 612 O PRO A 40 -11.470 -6.903 -21.206 1.00 0.00 O ATOM 613 CB PRO A 40 -14.249 -6.051 -20.313 1.00 0.00 C ATOM 614 CG PRO A 40 -15.167 -5.040 -20.979 1.00 0.00 C ATOM 615 CD PRO A 40 -14.524 -3.669 -20.848 1.00 0.00 C ATOM 0 HA PRO A 40 -12.488 -5.605 -19.145 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.124 -6.936 -20.937 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.663 -6.387 -19.362 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.316 -5.293 -22.029 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.149 -5.047 -20.507 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.396 -3.197 -21.822 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.139 -2.999 -20.247 1.00 0.00 H new ATOM 623 N LYS A 41 -11.430 -4.753 -21.909 1.00 0.00 N ATOM 624 CA LYS A 41 -10.424 -4.989 -22.929 1.00 0.00 C ATOM 625 C LYS A 41 -9.038 -4.697 -22.350 1.00 0.00 C ATOM 626 O LYS A 41 -8.030 -5.161 -22.882 1.00 0.00 O ATOM 627 CB LYS A 41 -10.744 -4.186 -24.192 1.00 0.00 C ATOM 628 CG LYS A 41 -9.764 -4.520 -25.318 1.00 0.00 C ATOM 629 CD LYS A 41 -9.179 -3.247 -25.932 1.00 0.00 C ATOM 630 CE LYS A 41 -7.681 -3.135 -25.642 1.00 0.00 C ATOM 631 NZ LYS A 41 -6.894 -3.735 -26.742 1.00 0.00 N ATOM 0 H LYS A 41 -11.758 -3.789 -21.849 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.429 -6.036 -23.234 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.762 -4.401 -24.516 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.699 -3.120 -23.970 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.959 -5.144 -24.931 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.274 -5.099 -26.089 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.345 -3.249 -27.009 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.696 -2.375 -25.532 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.406 -2.088 -25.519 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.448 -3.638 -24.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.880 -3.651 -26.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.145 -4.740 -26.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.104 -3.237 -27.631 1.00 0.00 H new ATOM 645 N LYS A 42 -9.033 -3.933 -21.269 1.00 0.00 N ATOM 646 CA LYS A 42 -7.787 -3.574 -20.612 1.00 0.00 C ATOM 647 C LYS A 42 -6.958 -4.839 -20.378 1.00 0.00 C ATOM 648 O LYS A 42 -7.277 -5.641 -19.502 1.00 0.00 O ATOM 649 CB LYS A 42 -8.064 -2.775 -19.338 1.00 0.00 C ATOM 650 CG LYS A 42 -7.886 -1.275 -19.582 1.00 0.00 C ATOM 651 CD LYS A 42 -7.507 -0.550 -18.289 1.00 0.00 C ATOM 652 CE LYS A 42 -7.039 0.877 -18.578 1.00 0.00 C ATOM 653 NZ LYS A 42 -7.672 1.831 -17.639 1.00 0.00 N ATOM 0 H LYS A 42 -9.872 -3.552 -20.831 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.195 -2.917 -21.249 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.079 -2.973 -18.994 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.389 -3.101 -18.546 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.113 -1.114 -20.333 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.810 -0.856 -19.981 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.364 -0.526 -17.616 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.716 -1.099 -17.778 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.954 0.935 -18.489 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.289 1.147 -19.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.177 2.744 -17.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.670 1.965 -17.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.615 1.455 -16.671 1.00 0.00 H new ATOM 667 N PRO A 43 -5.881 -4.980 -21.197 1.00 0.00 N ATOM 668 CA PRO A 43 -5.004 -6.134 -21.086 1.00 0.00 C ATOM 669 C PRO A 43 -4.099 -6.018 -19.858 1.00 0.00 C ATOM 670 O PRO A 43 -3.829 -4.916 -19.383 1.00 0.00 O ATOM 671 CB PRO A 43 -4.230 -6.165 -22.394 1.00 0.00 C ATOM 672 CG PRO A 43 -4.363 -4.773 -22.991 1.00 0.00 C ATOM 673 CD PRO A 43 -5.472 -4.051 -22.245 1.00 0.00 C ATOM 0 HA PRO A 43 -5.550 -7.066 -20.939 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.184 -6.418 -22.223 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.634 -6.920 -23.069 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.424 -4.227 -22.900 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.595 -4.834 -24.054 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.118 -3.110 -21.824 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.303 -3.811 -22.908 1.00 0.00 H new ATOM 681 N ARG A 44 -3.654 -7.170 -19.380 1.00 0.00 N ATOM 682 CA ARG A 44 -2.784 -7.212 -18.216 1.00 0.00 C ATOM 683 C ARG A 44 -1.460 -7.892 -18.568 1.00 0.00 C ATOM 684 O ARG A 44 -1.353 -8.555 -19.598 1.00 0.00 O ATOM 685 CB ARG A 44 -3.446 -7.966 -17.061 1.00 0.00 C ATOM 686 CG ARG A 44 -3.967 -6.994 -16.000 1.00 0.00 C ATOM 687 CD ARG A 44 -3.251 -7.207 -14.664 1.00 0.00 C ATOM 688 NE ARG A 44 -2.909 -5.900 -14.059 1.00 0.00 N ATOM 689 CZ ARG A 44 -2.680 -5.714 -12.752 1.00 0.00 C ATOM 690 NH1 ARG A 44 -2.755 -6.749 -11.905 1.00 0.00 N ATOM 691 NH2 ARG A 44 -2.376 -4.492 -12.293 1.00 0.00 N ATOM 0 H ARG A 44 -3.879 -8.082 -19.777 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.597 -6.185 -17.904 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.269 -8.571 -17.441 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.728 -8.652 -16.610 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.819 -5.968 -16.337 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.040 -7.134 -15.868 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.889 -7.775 -13.987 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.346 -7.794 -14.817 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.844 -5.090 -14.676 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.986 -7.679 -12.255 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.581 -6.607 -10.910 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.319 -3.704 -12.939 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.202 -4.350 -11.298 1.00 0.00 H new ATOM 705 N GLY A 45 -0.484 -7.705 -17.691 1.00 0.00 N ATOM 706 CA GLY A 45 0.829 -8.293 -17.896 1.00 0.00 C ATOM 707 C GLY A 45 1.919 -7.218 -17.882 1.00 0.00 C ATOM 708 O GLY A 45 1.621 -6.029 -17.787 1.00 0.00 O ATOM 0 H GLY A 45 -0.576 -7.155 -16.837 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.028 -9.028 -17.116 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.849 -8.824 -18.848 1.00 0.00 H new ATOM 712 N PRO A 46 3.191 -7.689 -17.981 1.00 0.00 N ATOM 713 CA PRO A 46 3.455 -9.114 -18.090 1.00 0.00 C ATOM 714 C PRO A 46 3.265 -9.811 -16.742 1.00 0.00 C ATOM 715 O PRO A 46 3.083 -9.154 -15.718 1.00 0.00 O ATOM 716 CB PRO A 46 4.880 -9.209 -18.613 1.00 0.00 C ATOM 717 CG PRO A 46 5.518 -7.858 -18.336 1.00 0.00 C ATOM 718 CD PRO A 46 4.406 -6.881 -17.990 1.00 0.00 C ATOM 0 HA PRO A 46 2.763 -9.621 -18.762 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.427 -10.009 -18.113 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.890 -9.434 -19.679 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.230 -7.933 -17.514 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.073 -7.512 -19.208 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.578 -6.413 -17.020 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.342 -6.078 -18.724 1.00 0.00 H new ATOM 726 N ARG A 47 3.314 -11.135 -16.785 1.00 0.00 N ATOM 727 CA ARG A 47 3.149 -11.930 -15.580 1.00 0.00 C ATOM 728 C ARG A 47 1.754 -11.717 -14.990 1.00 0.00 C ATOM 729 O ARG A 47 1.073 -10.750 -15.330 1.00 0.00 O ATOM 730 CB ARG A 47 4.200 -11.563 -14.530 1.00 0.00 C ATOM 731 CG ARG A 47 5.502 -12.332 -14.765 1.00 0.00 C ATOM 732 CD ARG A 47 5.526 -13.629 -13.955 1.00 0.00 C ATOM 733 NE ARG A 47 6.924 -14.038 -13.696 1.00 0.00 N ATOM 734 CZ ARG A 47 7.766 -14.477 -14.640 1.00 0.00 C ATOM 735 NH1 ARG A 47 7.357 -14.568 -15.914 1.00 0.00 N ATOM 736 NH2 ARG A 47 9.019 -14.825 -14.313 1.00 0.00 N ATOM 0 H ARG A 47 3.466 -11.677 -17.636 1.00 0.00 H new ATOM 0 HA ARG A 47 3.275 -12.977 -15.854 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.395 -10.491 -14.565 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.817 -11.785 -13.534 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.608 -12.559 -15.826 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.352 -11.709 -14.486 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.999 -13.488 -13.011 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.003 -14.416 -14.498 1.00 0.00 H new ATOM 0 HE ARG A 47 7.268 -13.982 -12.737 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.404 -14.303 -16.164 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.999 -14.902 -16.633 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.331 -14.755 -13.344 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.660 -15.159 -15.033 1.00 0.00 H new ATOM 750 N GLY A 48 1.368 -12.636 -14.118 1.00 0.00 N ATOM 751 CA GLY A 48 0.065 -12.561 -13.478 1.00 0.00 C ATOM 752 C GLY A 48 -0.491 -13.960 -13.201 1.00 0.00 C ATOM 753 O GLY A 48 -1.338 -14.453 -13.944 1.00 0.00 O ATOM 0 H GLY A 48 1.935 -13.437 -13.839 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.146 -12.006 -12.543 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.626 -12.011 -14.116 1.00 0.00 H new ATOM 757 N PRO A 49 0.021 -14.573 -12.101 1.00 0.00 N ATOM 758 CA PRO A 49 -0.416 -15.905 -11.716 1.00 0.00 C ATOM 759 C PRO A 49 -1.810 -15.865 -11.088 1.00 0.00 C ATOM 760 O PRO A 49 -1.977 -16.199 -9.916 1.00 0.00 O ATOM 761 CB PRO A 49 0.652 -16.408 -10.759 1.00 0.00 C ATOM 762 CG PRO A 49 1.400 -15.173 -10.282 1.00 0.00 C ATOM 763 CD PRO A 49 1.024 -14.019 -11.197 1.00 0.00 C ATOM 0 HA PRO A 49 -0.517 -16.577 -12.568 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.205 -16.942 -9.920 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.326 -17.105 -11.257 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.138 -14.943 -9.249 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.476 -15.345 -10.307 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.624 -13.178 -10.630 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.891 -13.650 -11.746 1.00 0.00 H new ATOM 771 N ARG A 50 -2.777 -15.453 -11.895 1.00 0.00 N ATOM 772 CA ARG A 50 -4.151 -15.365 -11.433 1.00 0.00 C ATOM 773 C ARG A 50 -4.482 -16.548 -10.522 1.00 0.00 C ATOM 774 O ARG A 50 -4.769 -17.644 -11.002 1.00 0.00 O ATOM 775 CB ARG A 50 -5.128 -15.347 -12.610 1.00 0.00 C ATOM 776 CG ARG A 50 -5.843 -13.998 -12.711 1.00 0.00 C ATOM 777 CD ARG A 50 -5.128 -13.072 -13.698 1.00 0.00 C ATOM 778 NE ARG A 50 -5.549 -13.386 -15.081 1.00 0.00 N ATOM 779 CZ ARG A 50 -4.822 -13.101 -16.170 1.00 0.00 C ATOM 780 NH1 ARG A 50 -3.635 -12.492 -16.043 1.00 0.00 N ATOM 781 NH2 ARG A 50 -5.282 -13.422 -17.386 1.00 0.00 N ATOM 0 H ARG A 50 -2.635 -15.176 -12.867 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.254 -14.434 -10.876 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.590 -15.547 -13.537 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.862 -16.143 -12.489 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.873 -14.151 -13.032 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.882 -13.528 -11.728 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.358 -12.032 -13.466 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.048 -13.188 -13.602 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.449 -13.848 -15.214 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.285 -12.245 -15.117 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.082 -12.275 -16.872 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.186 -13.884 -17.484 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.728 -13.205 -18.215 1.00 0.00 H new ATOM 795 N PRO A 51 -4.430 -16.281 -9.189 1.00 0.00 N ATOM 796 CA PRO A 51 -4.720 -17.311 -8.207 1.00 0.00 C ATOM 797 C PRO A 51 -6.224 -17.584 -8.128 1.00 0.00 C ATOM 798 O PRO A 51 -7.008 -16.683 -7.836 1.00 0.00 O ATOM 799 CB PRO A 51 -4.143 -16.784 -6.903 1.00 0.00 C ATOM 800 CG PRO A 51 -3.965 -15.288 -7.100 1.00 0.00 C ATOM 801 CD PRO A 51 -4.093 -14.995 -8.586 1.00 0.00 C ATOM 0 HA PRO A 51 -4.277 -18.274 -8.463 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.812 -16.991 -6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.191 -17.264 -6.675 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.717 -14.737 -6.536 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.991 -14.968 -6.730 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.867 -14.252 -8.778 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.163 -14.598 -8.993 1.00 0.00 H new ATOM 809 N GLN A 52 -6.580 -18.832 -8.394 1.00 0.00 N ATOM 810 CA GLN A 52 -7.975 -19.237 -8.357 1.00 0.00 C ATOM 811 C GLN A 52 -8.096 -20.749 -8.557 1.00 0.00 C ATOM 812 O GLN A 52 -7.614 -21.287 -9.552 1.00 0.00 O ATOM 813 CB GLN A 52 -8.794 -18.478 -9.403 1.00 0.00 C ATOM 814 CG GLN A 52 -8.367 -18.867 -10.820 1.00 0.00 C ATOM 815 CD GLN A 52 -9.372 -19.835 -11.449 1.00 0.00 C ATOM 816 OE1 GLN A 52 -10.146 -20.494 -10.774 1.00 0.00 O ATOM 817 NE2 GLN A 52 -9.318 -19.883 -12.778 1.00 0.00 N ATOM 0 H GLN A 52 -5.926 -19.577 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.379 -18.988 -7.376 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.854 -18.693 -9.267 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.666 -17.405 -9.262 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.283 -17.972 -11.437 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.380 -19.329 -10.792 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.646 -19.305 -13.282 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.949 -20.498 -13.292 1.00 0.00 H new ATOM 826 N THR A 53 -8.741 -21.391 -7.594 1.00 0.00 N ATOM 827 CA THR A 53 -8.931 -22.831 -7.652 1.00 0.00 C ATOM 828 C THR A 53 -7.581 -23.549 -7.605 1.00 0.00 C ATOM 829 O THR A 53 -6.591 -23.054 -8.143 1.00 0.00 O ATOM 830 CB THR A 53 -9.745 -23.150 -8.907 1.00 0.00 C ATOM 831 OG1 THR A 53 -11.071 -22.750 -8.572 1.00 0.00 O ATOM 832 CG2 THR A 53 -9.862 -24.654 -9.161 1.00 0.00 C ATOM 0 H THR A 53 -9.139 -20.941 -6.769 1.00 0.00 H new ATOM 0 HA THR A 53 -9.486 -23.192 -6.786 1.00 0.00 H new ATOM 0 HB THR A 53 -9.284 -22.671 -9.771 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.666 -22.920 -9.332 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.449 -24.826 -10.063 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.867 -25.080 -9.289 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.354 -25.129 -8.312 1.00 0.00 H new ATOM 840 N SER A 54 -7.583 -24.704 -6.957 1.00 0.00 N ATOM 841 CA SER A 54 -6.371 -25.495 -6.832 1.00 0.00 C ATOM 842 C SER A 54 -5.340 -24.744 -5.987 1.00 0.00 C ATOM 843 O SER A 54 -4.431 -24.114 -6.525 1.00 0.00 O ATOM 844 CB SER A 54 -5.787 -25.830 -8.207 1.00 0.00 C ATOM 845 OG SER A 54 -5.865 -27.223 -8.495 1.00 0.00 O ATOM 0 H SER A 54 -8.406 -25.112 -6.512 1.00 0.00 H new ATOM 0 HA SER A 54 -6.625 -26.432 -6.336 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.322 -25.271 -8.974 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.746 -25.509 -8.247 1.00 0.00 H new ATOM 0 HG SER A 54 -5.484 -27.396 -9.381 1.00 0.00 H new ATOM 851 N LEU A 55 -5.517 -24.836 -4.677 1.00 0.00 N ATOM 852 CA LEU A 55 -4.614 -24.173 -3.752 1.00 0.00 C ATOM 853 C LEU A 55 -4.977 -24.568 -2.319 1.00 0.00 C ATOM 854 O LEU A 55 -5.350 -23.718 -1.513 1.00 0.00 O ATOM 855 CB LEU A 55 -4.615 -22.661 -3.992 1.00 0.00 C ATOM 856 CG LEU A 55 -5.903 -21.925 -3.621 1.00 0.00 C ATOM 857 CD1 LEU A 55 -5.689 -21.021 -2.406 1.00 0.00 C ATOM 858 CD2 LEU A 55 -6.457 -21.152 -4.821 1.00 0.00 C ATOM 0 H LEU A 55 -6.272 -25.360 -4.235 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.588 -24.499 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.793 -22.223 -3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.407 -22.480 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.651 -22.666 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.621 -20.510 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.375 -21.624 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.919 -20.284 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.373 -20.637 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.720 -20.421 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.673 -21.846 -5.633 1.00 0.00 H new ATOM 870 N LEU A 56 -4.856 -25.859 -2.046 1.00 0.00 N ATOM 871 CA LEU A 56 -5.167 -26.377 -0.725 1.00 0.00 C ATOM 872 C LEU A 56 -4.747 -27.846 -0.646 1.00 0.00 C ATOM 873 O LEU A 56 -3.798 -28.187 0.059 1.00 0.00 O ATOM 874 CB LEU A 56 -6.642 -26.141 -0.390 1.00 0.00 C ATOM 875 CG LEU A 56 -6.993 -26.102 1.099 1.00 0.00 C ATOM 876 CD1 LEU A 56 -7.705 -24.797 1.460 1.00 0.00 C ATOM 877 CD2 LEU A 56 -7.811 -27.331 1.501 1.00 0.00 C ATOM 0 H LEU A 56 -4.547 -26.562 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.601 -25.841 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.950 -25.198 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.232 -26.927 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.065 -26.131 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.943 -24.795 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.055 -23.953 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.625 -24.713 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.047 -27.279 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.736 -27.357 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.233 -28.234 1.302 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 517 -2.338 -1.497 -29.559 1.00 0.00 P ATOM 891 OP1 U B 517 -3.500 -2.347 -29.217 1.00 0.00 O ATOM 892 OP2 U B 517 -1.145 -2.166 -30.125 1.00 0.00 O ATOM 893 O5' U B 517 -2.827 -0.389 -30.605 1.00 0.00 O ATOM 894 C5' U B 517 -2.518 0.985 -30.386 1.00 0.00 C ATOM 895 C4' U B 517 -3.619 1.861 -30.940 1.00 0.00 C ATOM 896 O4' U B 517 -4.583 0.964 -31.524 1.00 0.00 O ATOM 897 C3' U B 517 -4.625 2.343 -29.898 1.00 0.00 C ATOM 898 O3' U B 517 -4.114 3.505 -29.248 1.00 0.00 O ATOM 899 C2' U B 517 -5.880 2.647 -30.668 1.00 0.00 C ATOM 900 O2' U B 517 -5.617 3.928 -31.197 1.00 0.00 O ATOM 901 C1' U B 517 -5.875 1.506 -31.681 1.00 0.00 C ATOM 902 N1 U B 517 -6.915 0.487 -31.426 1.00 0.00 N ATOM 903 C2 U B 517 -8.165 0.777 -31.880 1.00 0.00 C ATOM 904 O2 U B 517 -8.452 1.807 -32.467 1.00 0.00 O ATOM 905 N3 U B 517 -9.136 -0.171 -31.643 1.00 0.00 N ATOM 906 C4 U B 517 -8.900 -1.355 -30.991 1.00 0.00 C ATOM 907 O4 U B 517 -9.843 -2.128 -30.836 1.00 0.00 O ATOM 908 C5 U B 517 -7.577 -1.606 -30.539 1.00 0.00 C ATOM 909 C6 U B 517 -6.651 -0.674 -30.779 1.00 0.00 C ATOM 0 H5' U B 517 -1.570 1.233 -30.864 1.00 0.00 H new ATOM 0 H5'' U B 517 -2.396 1.173 -29.319 1.00 0.00 H new ATOM 0 H4' U B 517 -3.095 2.634 -31.502 1.00 0.00 H new ATOM 0 H3' U B 517 -4.817 1.604 -29.120 1.00 0.00 H new ATOM 0 H2' U B 517 -6.849 2.687 -30.170 1.00 0.00 H new ATOM 0 HO2' U B 517 -4.853 4.325 -30.729 1.00 0.00 H new ATOM 0 H1' U B 517 -6.098 1.853 -32.690 1.00 0.00 H new ATOM 0 H3 U B 517 -10.083 0.018 -31.971 1.00 0.00 H new ATOM 0 H5 U B 517 -7.328 -2.519 -30.019 1.00 0.00 H new ATOM 0 H6 U B 517 -5.641 -0.855 -30.441 1.00 0.00 H new ATOM 920 P U B 518 -3.871 3.497 -27.668 1.00 0.00 P ATOM 921 OP1 U B 518 -2.513 4.007 -27.370 1.00 0.00 O ATOM 922 OP2 U B 518 -4.240 2.175 -27.114 1.00 0.00 O ATOM 923 O5' U B 518 -4.929 4.571 -27.134 1.00 0.00 O ATOM 924 C5' U B 518 -5.276 5.693 -27.943 1.00 0.00 C ATOM 925 C4' U B 518 -6.773 5.741 -28.150 1.00 0.00 C ATOM 926 O4' U B 518 -7.140 4.558 -28.883 1.00 0.00 O ATOM 927 C3' U B 518 -7.592 5.322 -26.932 1.00 0.00 C ATOM 928 O3' U B 518 -7.730 6.432 -26.048 1.00 0.00 O ATOM 929 C2' U B 518 -8.922 4.884 -27.480 1.00 0.00 C ATOM 930 O2' U B 518 -9.586 6.108 -27.697 1.00 0.00 O ATOM 931 C1' U B 518 -8.481 4.145 -28.740 1.00 0.00 C ATOM 932 N1 U B 518 -8.577 2.675 -28.626 1.00 0.00 N ATOM 933 C2 U B 518 -9.562 2.077 -29.351 1.00 0.00 C ATOM 934 O2 U B 518 -10.340 2.686 -30.068 1.00 0.00 O ATOM 935 N3 U B 518 -9.654 0.707 -29.247 1.00 0.00 N ATOM 936 C4 U B 518 -8.821 -0.053 -28.465 1.00 0.00 C ATOM 937 O4 U B 518 -8.996 -1.270 -28.448 1.00 0.00 O ATOM 938 C5 U B 518 -7.811 0.622 -27.729 1.00 0.00 C ATOM 939 C6 U B 518 -7.740 1.949 -27.845 1.00 0.00 C ATOM 0 H5' U B 518 -4.770 5.627 -28.906 1.00 0.00 H new ATOM 0 H5'' U B 518 -4.937 6.613 -27.467 1.00 0.00 H new ATOM 0 H4' U B 518 -6.950 6.747 -28.530 1.00 0.00 H new ATOM 0 H3' U B 518 -7.124 4.520 -26.361 1.00 0.00 H new ATOM 0 H2' U B 518 -9.586 4.245 -26.898 1.00 0.00 H new ATOM 0 HO2' U B 518 -9.103 6.828 -27.240 1.00 0.00 H new ATOM 0 H1' U B 518 -9.117 4.377 -29.594 1.00 0.00 H new ATOM 0 H3 U B 518 -10.381 0.231 -29.781 1.00 0.00 H new ATOM 0 H5 U B 518 -7.124 0.079 -27.097 1.00 0.00 H new ATOM 0 H6 U B 518 -6.976 2.472 -27.288 1.00 0.00 H new ATOM 950 P U B 519 -6.434 7.077 -25.366 1.00 0.00 P ATOM 951 OP1 U B 519 -6.134 8.380 -25.999 1.00 0.00 O ATOM 952 OP2 U B 519 -5.346 6.075 -25.315 1.00 0.00 O ATOM 953 O5' U B 519 -6.919 7.356 -23.866 1.00 0.00 O ATOM 954 C5' U B 519 -8.257 7.779 -23.617 1.00 0.00 C ATOM 955 C4' U B 519 -8.689 7.349 -22.234 1.00 0.00 C ATOM 956 O4' U B 519 -8.446 5.943 -22.052 1.00 0.00 O ATOM 957 C3' U B 519 -7.784 7.843 -21.109 1.00 0.00 C ATOM 958 O3' U B 519 -8.206 9.141 -20.696 1.00 0.00 O ATOM 959 C2' U B 519 -7.939 6.835 -20.004 1.00 0.00 C ATOM 960 O2' U B 519 -9.178 7.191 -19.430 1.00 0.00 O ATOM 961 C1' U B 519 -7.936 5.535 -20.803 1.00 0.00 C ATOM 962 N1 U B 519 -6.593 4.934 -20.944 1.00 0.00 N ATOM 963 C2 U B 519 -6.053 4.392 -19.818 1.00 0.00 C ATOM 964 O2 U B 519 -6.615 4.384 -18.733 1.00 0.00 O ATOM 965 N3 U B 519 -4.802 3.831 -19.947 1.00 0.00 N ATOM 966 C4 U B 519 -4.104 3.797 -21.128 1.00 0.00 C ATOM 967 O4 U B 519 -2.992 3.270 -21.127 1.00 0.00 O ATOM 968 C5 U B 519 -4.714 4.376 -22.273 1.00 0.00 C ATOM 969 C6 U B 519 -5.926 4.915 -22.124 1.00 0.00 C ATOM 0 H5' U B 519 -8.926 7.353 -24.364 1.00 0.00 H new ATOM 0 H5'' U B 519 -8.327 8.863 -23.708 1.00 0.00 H new ATOM 0 H4' U B 519 -9.716 7.711 -22.184 1.00 0.00 H new ATOM 0 H3' U B 519 -6.740 7.931 -21.411 1.00 0.00 H new ATOM 0 H2' U B 519 -7.208 6.768 -19.198 1.00 0.00 H new ATOM 0 HO2' U B 519 -9.431 8.089 -19.730 1.00 0.00 H new ATOM 0 H1' U B 519 -8.517 4.752 -20.315 1.00 0.00 H new ATOM 0 H3 U B 519 -4.371 3.418 -19.120 1.00 0.00 H new ATOM 0 H5 U B 519 -4.215 4.380 -23.231 1.00 0.00 H new ATOM 0 H6 U B 519 -6.399 5.359 -22.987 1.00 0.00 H new ATOM 980 P U B 520 -7.128 10.207 -20.185 1.00 0.00 P ATOM 981 OP1 U B 520 -5.958 9.501 -19.619 1.00 0.00 O ATOM 982 OP2 U B 520 -7.793 11.219 -19.334 1.00 0.00 O ATOM 983 O5' U B 520 -6.666 10.926 -21.537 1.00 0.00 O ATOM 984 C5' U B 520 -7.607 11.152 -22.584 1.00 0.00 C ATOM 985 C4' U B 520 -7.643 12.620 -22.944 1.00 0.00 C ATOM 986 O4' U B 520 -7.622 12.589 -24.404 1.00 0.00 O ATOM 987 C3' U B 520 -9.018 13.268 -22.813 1.00 0.00 C ATOM 988 O3' U B 520 -9.132 13.881 -21.530 1.00 0.00 O ATOM 989 C2' U B 520 -9.085 14.285 -23.919 1.00 0.00 C ATOM 990 O2' U B 520 -8.288 15.336 -23.421 1.00 0.00 O ATOM 991 C1' U B 520 -8.477 13.491 -25.072 1.00 0.00 C ATOM 992 N1 U B 520 -9.480 12.772 -25.885 1.00 0.00 N ATOM 993 C2 U B 520 -9.751 13.297 -27.111 1.00 0.00 C ATOM 994 O2 U B 520 -9.216 14.304 -27.550 1.00 0.00 O ATOM 995 N3 U B 520 -10.685 12.629 -27.871 1.00 0.00 N ATOM 996 C4 U B 520 -11.331 11.493 -27.454 1.00 0.00 C ATOM 997 O4 U B 520 -12.148 10.980 -28.217 1.00 0.00 O ATOM 998 C5 U B 520 -11.012 10.987 -26.166 1.00 0.00 C ATOM 999 C6 U B 520 -10.103 11.651 -25.447 1.00 0.00 C ATOM 0 H5' U B 520 -8.597 10.822 -22.270 1.00 0.00 H new ATOM 0 H5'' U B 520 -7.337 10.562 -23.460 1.00 0.00 H new ATOM 0 H4' U B 520 -6.881 13.121 -22.347 1.00 0.00 H new ATOM 0 H3' U B 520 -9.835 12.551 -22.895 1.00 0.00 H new ATOM 0 H2' U B 520 -10.038 14.711 -24.234 1.00 0.00 H new ATOM 0 HO2' U B 520 -8.144 15.210 -22.460 1.00 0.00 H new ATOM 0 H1' U B 520 -7.976 14.135 -25.794 1.00 0.00 H new ATOM 0 H3 U B 520 -10.909 12.999 -28.795 1.00 0.00 H new ATOM 0 H5 U B 520 -11.488 10.097 -25.781 1.00 0.00 H new ATOM 0 H6 U B 520 -9.852 11.275 -24.466 1.00 0.00 H new ATOM 1010 P G B 521 -10.489 14.622 -21.116 1.00 0.00 P ATOM 1011 OP1 G B 521 -11.488 14.476 -22.199 1.00 0.00 O ATOM 1012 OP2 G B 521 -10.185 15.993 -20.649 1.00 0.00 O ATOM 1013 O5' G B 521 -10.994 13.772 -19.859 1.00 0.00 O ATOM 1014 C5' G B 521 -11.490 14.439 -18.700 1.00 0.00 C ATOM 1015 C4' G B 521 -12.699 13.709 -18.157 1.00 0.00 C ATOM 1016 O4' G B 521 -12.976 12.551 -18.999 1.00 0.00 O ATOM 1017 C3' G B 521 -12.405 12.812 -16.958 1.00 0.00 C ATOM 1018 O3' G B 521 -12.333 13.608 -15.777 1.00 0.00 O ATOM 1019 C2' G B 521 -13.553 11.842 -16.899 1.00 0.00 C ATOM 1020 O2' G B 521 -14.570 12.602 -16.286 1.00 0.00 O ATOM 1021 C1' G B 521 -13.756 11.551 -18.383 1.00 0.00 C ATOM 1022 N9 G B 521 -13.310 10.201 -18.786 1.00 0.00 N ATOM 1023 C8 G B 521 -12.099 9.641 -18.576 1.00 0.00 C ATOM 1024 N7 G B 521 -12.013 8.408 -19.063 1.00 0.00 N ATOM 1025 C5 G B 521 -13.248 8.184 -19.611 1.00 0.00 C ATOM 1026 C6 G B 521 -13.785 7.063 -20.279 1.00 0.00 C ATOM 1027 O6 G B 521 -13.187 6.012 -20.501 1.00 0.00 O ATOM 1028 N1 G B 521 -15.071 7.151 -20.715 1.00 0.00 N ATOM 1029 C2 G B 521 -15.754 8.295 -20.485 1.00 0.00 C ATOM 1030 N2 G B 521 -16.992 8.225 -20.969 1.00 0.00 N ATOM 1031 N3 G B 521 -15.346 9.417 -19.864 1.00 0.00 N ATOM 1032 C4 G B 521 -14.055 9.266 -19.454 1.00 0.00 C ATOM 0 H5' G B 521 -11.757 15.466 -18.948 1.00 0.00 H new ATOM 0 H5'' G B 521 -10.712 14.487 -17.938 1.00 0.00 H new ATOM 0 H4' G B 521 -13.419 14.516 -18.022 1.00 0.00 H new ATOM 0 H3' G B 521 -11.454 12.286 -17.044 1.00 0.00 H new ATOM 0 H2' G B 521 -13.467 10.902 -16.353 1.00 0.00 H new ATOM 0 HO2' G B 521 -14.166 13.304 -15.734 1.00 0.00 H new ATOM 0 H1' G B 521 -14.809 11.565 -18.663 1.00 0.00 H new ATOM 0 H8 G B 521 -11.288 10.141 -18.067 1.00 0.00 H new ATOM 0 H1 G B 521 -15.510 6.371 -21.204 1.00 0.00 H new ATOM 0 H21 G B 521 -17.625 9.019 -20.868 1.00 0.00 H new ATOM 0 H22 G B 521 -17.308 7.378 -21.441 1.00 0.00 H new ATOM 1044 P C B 522 -10.908 14.003 -15.166 1.00 0.00 P ATOM 1045 OP1 C B 522 -10.592 15.408 -15.505 1.00 0.00 O ATOM 1046 OP2 C B 522 -9.907 12.973 -15.527 1.00 0.00 O ATOM 1047 O5' C B 522 -11.157 13.918 -13.588 1.00 0.00 O ATOM 1048 C5' C B 522 -12.133 13.017 -13.068 1.00 0.00 C ATOM 1049 C4' C B 522 -11.766 12.611 -11.658 1.00 0.00 C ATOM 1050 O4' C B 522 -12.982 12.764 -10.887 1.00 0.00 O ATOM 1051 C3' C B 522 -11.555 11.113 -11.468 1.00 0.00 C ATOM 1052 O3' C B 522 -10.164 10.814 -11.565 1.00 0.00 O ATOM 1053 C2' C B 522 -12.091 10.806 -10.097 1.00 0.00 C ATOM 1054 O2' C B 522 -11.054 11.249 -9.252 1.00 0.00 O ATOM 1055 C1' C B 522 -13.354 11.662 -10.089 1.00 0.00 C ATOM 1056 N1 C B 522 -14.537 10.974 -10.648 1.00 0.00 N ATOM 1057 C2 C B 522 -15.496 10.504 -9.752 1.00 0.00 C ATOM 1058 O2 C B 522 -15.315 10.682 -8.543 1.00 0.00 O ATOM 1059 N3 C B 522 -16.582 9.874 -10.237 1.00 0.00 N ATOM 1060 C4 C B 522 -16.760 9.692 -11.530 1.00 0.00 C ATOM 1061 N4 C B 522 -17.837 9.069 -11.989 1.00 0.00 N ATOM 1062 C5 C B 522 -15.780 10.170 -12.480 1.00 0.00 C ATOM 1063 C6 C B 522 -14.704 10.796 -11.981 1.00 0.00 C ATOM 0 H5' C B 522 -12.199 12.134 -13.704 1.00 0.00 H new ATOM 0 H5'' C B 522 -13.115 13.489 -13.075 1.00 0.00 H new ATOM 0 H4' C B 522 -10.876 13.184 -11.399 1.00 0.00 H new ATOM 0 H3' C B 522 -12.061 10.514 -12.225 1.00 0.00 H new ATOM 0 H2' C B 522 -12.341 9.785 -9.807 1.00 0.00 H new ATOM 0 HO2' C B 522 -10.189 11.092 -9.686 1.00 0.00 H new ATOM 0 H1' C B 522 -13.664 11.923 -9.077 1.00 0.00 H new ATOM 0 H41 C B 522 -17.960 8.936 -12.993 1.00 0.00 H new ATOM 0 H42 C B 522 -18.542 8.723 -11.338 1.00 0.00 H new ATOM 0 H5 C B 522 -15.909 10.029 -13.543 1.00 0.00 H new ATOM 0 H6 C B 522 -13.951 11.168 -12.659 1.00 0.00 H new ATOM 1075 P U B 523 -9.572 10.188 -12.913 1.00 0.00 P ATOM 1076 OP1 U B 523 -9.414 11.251 -13.929 1.00 0.00 O ATOM 1077 OP2 U B 523 -10.355 8.991 -13.293 1.00 0.00 O ATOM 1078 O5' U B 523 -8.111 9.703 -12.473 1.00 0.00 O ATOM 1079 C5' U B 523 -6.975 10.519 -12.752 1.00 0.00 C ATOM 1080 C4' U B 523 -6.176 10.748 -11.490 1.00 0.00 C ATOM 1081 O4' U B 523 -6.859 10.088 -10.393 1.00 0.00 O ATOM 1082 C3' U B 523 -4.963 9.833 -11.337 1.00 0.00 C ATOM 1083 O3' U B 523 -3.877 10.352 -12.119 1.00 0.00 O ATOM 1084 C2' U B 523 -4.643 9.843 -9.868 1.00 0.00 C ATOM 1085 O2' U B 523 -3.929 11.050 -9.715 1.00 0.00 O ATOM 1086 C1' U B 523 -6.047 9.831 -9.270 1.00 0.00 C ATOM 1087 N1 U B 523 -6.405 8.546 -8.633 1.00 0.00 N ATOM 1088 C2 U B 523 -6.364 8.515 -7.273 1.00 0.00 C ATOM 1089 O2 U B 523 -6.053 9.473 -6.582 1.00 0.00 O ATOM 1090 N3 U B 523 -6.697 7.319 -6.679 1.00 0.00 N ATOM 1091 C4 U B 523 -7.058 6.196 -7.381 1.00 0.00 C ATOM 1092 O4 U B 523 -7.337 5.182 -6.743 1.00 0.00 O ATOM 1093 C5 U B 523 -7.085 6.284 -8.797 1.00 0.00 C ATOM 1094 C6 U B 523 -6.757 7.453 -9.353 1.00 0.00 C ATOM 0 H5' U B 523 -7.297 11.475 -13.166 1.00 0.00 H new ATOM 0 H5'' U B 523 -6.350 10.040 -13.505 1.00 0.00 H new ATOM 0 H4' U B 523 -5.993 11.822 -11.509 1.00 0.00 H new ATOM 0 H3' U B 523 -5.147 8.817 -11.686 1.00 0.00 H new ATOM 0 H2' U B 523 -4.050 9.047 -9.417 1.00 0.00 H new ATOM 0 HO2' U B 523 -3.459 11.260 -10.549 1.00 0.00 H new ATOM 0 HO3' U B 523 -3.096 9.768 -12.022 1.00 0.00 H new ATOM 0 H1' U B 523 -6.155 10.555 -8.462 1.00 0.00 H new ATOM 0 H3 U B 523 -6.674 7.264 -5.661 1.00 0.00 H new ATOM 0 H5 U B 523 -7.361 5.435 -9.404 1.00 0.00 H new ATOM 0 H6 U B 523 -6.773 7.531 -10.430 1.00 0.00 H new TER 1105 U B 523 HETATM 1106 ZN ZN A 57 -14.011 -0.245 -23.122 1.00 0.00 ZN