USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 61:sc= 0.135 USER MOD Single : A 5 SER OG : rot 47:sc= 0.62 USER MOD Single : A 7 GLN : amide:sc= -0.32 K(o=-0.32,f=-2.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 12 GLN : amide:sc= -1.37 K(o=-1.4,f=-6.6!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0299 K(o=-0.03,f=-2.9!) USER MOD Single : A 25 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.047) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0486) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 128:sc= 0.396 (180deg=-0.756!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 504 C O2' : rot -36:sc= 0.242 USER MOD Single : B 505 C O2' : rot -15:sc= 0.36 USER MOD Single : B 506 U O2' : rot 24:sc= -0.211 USER MOD Single : B 507 C O2' : rot 175:sc= -0.0999 USER MOD Single : B 508 C O2' : rot -25:sc= 0.464 USER MOD Single : B 509 G O2' : rot -20:sc= 0.938 USER MOD Single : B 510 U O2' : rot -28:sc= 0.427 USER MOD Single : B 510 U O3' : rot 180:sc= 0.344 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.376 27.755 -20.501 1.00 0.00 N ATOM 2 CA ALA A 1 11.616 27.632 -21.928 1.00 0.00 C ATOM 3 C ALA A 1 10.655 28.552 -22.684 1.00 0.00 C ATOM 4 O ALA A 1 9.876 28.091 -23.518 1.00 0.00 O ATOM 5 CB ALA A 1 11.472 26.167 -22.346 1.00 0.00 C ATOM 0 H1 ALA A 1 12.028 27.131 -19.984 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.533 28.740 -20.206 1.00 0.00 H new ATOM 0 H3 ALA A 1 10.395 27.483 -20.289 1.00 0.00 H new ATOM 0 HA ALA A 1 12.631 27.943 -22.174 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.652 26.075 -23.417 1.00 0.00 H new ATOM 0 HB2 ALA A 1 12.197 25.561 -21.803 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.464 25.820 -22.116 1.00 0.00 H new ATOM 11 N THR A 2 10.740 29.835 -22.365 1.00 0.00 N ATOM 12 CA THR A 2 9.887 30.823 -23.003 1.00 0.00 C ATOM 13 C THR A 2 10.732 31.946 -23.606 1.00 0.00 C ATOM 14 O THR A 2 10.688 33.082 -23.136 1.00 0.00 O ATOM 15 CB THR A 2 8.874 31.313 -21.967 1.00 0.00 C ATOM 16 OG1 THR A 2 9.676 31.704 -20.856 1.00 0.00 O ATOM 17 CG2 THR A 2 8.003 30.181 -21.418 1.00 0.00 C ATOM 0 H THR A 2 11.387 30.213 -21.673 1.00 0.00 H new ATOM 0 HA THR A 2 9.335 30.390 -23.837 1.00 0.00 H new ATOM 0 HB THR A 2 8.237 32.076 -22.415 1.00 0.00 H new ATOM 0 HG1 THR A 2 10.289 32.418 -21.130 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.302 30.583 -20.687 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.450 29.719 -22.235 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.636 29.434 -20.940 1.00 0.00 H new ATOM 25 N VAL A 3 11.482 31.591 -24.640 1.00 0.00 N ATOM 26 CA VAL A 3 12.336 32.556 -25.312 1.00 0.00 C ATOM 27 C VAL A 3 13.409 33.046 -24.338 1.00 0.00 C ATOM 28 O VAL A 3 13.169 33.129 -23.135 1.00 0.00 O ATOM 29 CB VAL A 3 11.488 33.691 -25.889 1.00 0.00 C ATOM 30 CG1 VAL A 3 12.374 34.810 -26.442 1.00 0.00 C ATOM 31 CG2 VAL A 3 10.530 33.170 -26.962 1.00 0.00 C ATOM 0 H VAL A 3 11.516 30.648 -25.028 1.00 0.00 H new ATOM 0 HA VAL A 3 12.850 32.092 -26.154 1.00 0.00 H new ATOM 0 HB VAL A 3 10.889 34.106 -25.079 1.00 0.00 H new ATOM 0 HG11 VAL A 3 11.747 35.605 -26.846 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.996 35.211 -25.642 1.00 0.00 H new ATOM 0 HG13 VAL A 3 13.011 34.413 -27.232 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.939 33.997 -27.355 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.102 32.716 -27.771 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.865 32.425 -26.525 1.00 0.00 H new ATOM 41 N VAL A 4 14.570 33.357 -24.895 1.00 0.00 N ATOM 42 CA VAL A 4 15.681 33.836 -24.092 1.00 0.00 C ATOM 43 C VAL A 4 16.116 32.736 -23.122 1.00 0.00 C ATOM 44 O VAL A 4 15.435 32.473 -22.131 1.00 0.00 O ATOM 45 CB VAL A 4 15.293 35.137 -23.385 1.00 0.00 C ATOM 46 CG1 VAL A 4 16.368 35.559 -22.381 1.00 0.00 C ATOM 47 CG2 VAL A 4 15.021 36.252 -24.398 1.00 0.00 C ATOM 0 H VAL A 4 14.765 33.286 -25.894 1.00 0.00 H new ATOM 0 HA VAL A 4 16.537 34.068 -24.725 1.00 0.00 H new ATOM 0 HB VAL A 4 14.372 34.954 -22.832 1.00 0.00 H new ATOM 0 HG11 VAL A 4 16.067 36.486 -21.893 1.00 0.00 H new ATOM 0 HG12 VAL A 4 16.492 34.778 -21.631 1.00 0.00 H new ATOM 0 HG13 VAL A 4 17.312 35.714 -22.903 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.747 37.165 -23.869 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.918 36.431 -24.991 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.204 35.955 -25.056 1.00 0.00 H new ATOM 57 N SER A 5 17.247 32.124 -23.439 1.00 0.00 N ATOM 58 CA SER A 5 17.781 31.058 -22.609 1.00 0.00 C ATOM 59 C SER A 5 19.198 30.701 -23.062 1.00 0.00 C ATOM 60 O SER A 5 19.381 29.822 -23.902 1.00 0.00 O ATOM 61 CB SER A 5 16.881 29.822 -22.654 1.00 0.00 C ATOM 62 OG SER A 5 15.991 29.769 -21.543 1.00 0.00 O ATOM 0 H SER A 5 17.809 32.346 -24.261 1.00 0.00 H new ATOM 0 HA SER A 5 17.815 31.411 -21.578 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.305 29.826 -23.580 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.499 28.924 -22.667 1.00 0.00 H new ATOM 0 HG SER A 5 15.574 30.647 -21.416 1.00 0.00 H new ATOM 68 N GLY A 6 20.163 31.402 -22.485 1.00 0.00 N ATOM 69 CA GLY A 6 21.558 31.169 -22.820 1.00 0.00 C ATOM 70 C GLY A 6 22.412 31.048 -21.557 1.00 0.00 C ATOM 71 O GLY A 6 22.973 32.035 -21.084 1.00 0.00 O ATOM 0 H GLY A 6 20.007 32.131 -21.788 1.00 0.00 H new ATOM 0 HA2 GLY A 6 21.646 30.258 -23.412 1.00 0.00 H new ATOM 0 HA3 GLY A 6 21.929 31.987 -23.437 1.00 0.00 H new ATOM 75 N GLN A 7 22.483 29.827 -21.044 1.00 0.00 N ATOM 76 CA GLN A 7 23.259 29.563 -19.844 1.00 0.00 C ATOM 77 C GLN A 7 24.091 28.291 -20.019 1.00 0.00 C ATOM 78 O GLN A 7 23.589 27.280 -20.509 1.00 0.00 O ATOM 79 CB GLN A 7 22.352 29.462 -18.617 1.00 0.00 C ATOM 80 CG GLN A 7 22.005 30.850 -18.076 1.00 0.00 C ATOM 81 CD GLN A 7 20.489 31.057 -18.029 1.00 0.00 C ATOM 82 OE1 GLN A 7 19.706 30.133 -18.178 1.00 0.00 O ATOM 83 NE2 GLN A 7 20.122 32.317 -17.815 1.00 0.00 N ATOM 0 H GLN A 7 22.016 29.010 -21.438 1.00 0.00 H new ATOM 0 HA GLN A 7 23.940 30.399 -19.683 1.00 0.00 H new ATOM 0 HB2 GLN A 7 21.437 28.931 -18.879 1.00 0.00 H new ATOM 0 HB3 GLN A 7 22.848 28.879 -17.841 1.00 0.00 H new ATOM 0 HG2 GLN A 7 22.423 30.970 -17.077 1.00 0.00 H new ATOM 0 HG3 GLN A 7 22.461 31.614 -18.706 1.00 0.00 H new ATOM 0 HE21 GLN A 7 20.830 33.042 -17.699 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.132 32.559 -17.767 1.00 0.00 H new ATOM 92 N LYS A 8 25.346 28.382 -19.607 1.00 0.00 N ATOM 93 CA LYS A 8 26.252 27.250 -19.711 1.00 0.00 C ATOM 94 C LYS A 8 27.206 27.253 -18.515 1.00 0.00 C ATOM 95 O LYS A 8 27.654 28.311 -18.077 1.00 0.00 O ATOM 96 CB LYS A 8 26.964 27.256 -21.066 1.00 0.00 C ATOM 97 CG LYS A 8 27.924 28.442 -21.175 1.00 0.00 C ATOM 98 CD LYS A 8 29.261 28.011 -21.780 1.00 0.00 C ATOM 99 CE LYS A 8 30.427 28.400 -20.868 1.00 0.00 C ATOM 100 NZ LYS A 8 30.888 29.773 -21.172 1.00 0.00 N ATOM 0 H LYS A 8 25.758 29.222 -19.200 1.00 0.00 H new ATOM 0 HA LYS A 8 25.696 26.313 -19.673 1.00 0.00 H new ATOM 0 HB2 LYS A 8 27.515 26.324 -21.196 1.00 0.00 H new ATOM 0 HB3 LYS A 8 26.227 27.305 -21.868 1.00 0.00 H new ATOM 0 HG2 LYS A 8 27.476 29.221 -21.791 1.00 0.00 H new ATOM 0 HG3 LYS A 8 28.090 28.872 -20.187 1.00 0.00 H new ATOM 0 HD2 LYS A 8 29.262 26.932 -21.937 1.00 0.00 H new ATOM 0 HD3 LYS A 8 29.389 28.476 -22.758 1.00 0.00 H new ATOM 0 HE2 LYS A 8 30.117 28.337 -19.825 1.00 0.00 H new ATOM 0 HE3 LYS A 8 31.249 27.697 -20.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 31.679 30.021 -20.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 31.203 29.822 -22.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 30.106 30.443 -21.024 1.00 0.00 H new ATOM 114 N GLN A 9 27.487 26.056 -18.021 1.00 0.00 N ATOM 115 CA GLN A 9 28.380 25.908 -16.884 1.00 0.00 C ATOM 116 C GLN A 9 29.267 24.675 -17.063 1.00 0.00 C ATOM 117 O GLN A 9 28.831 23.551 -16.820 1.00 0.00 O ATOM 118 CB GLN A 9 27.591 25.831 -15.574 1.00 0.00 C ATOM 119 CG GLN A 9 28.334 26.545 -14.445 1.00 0.00 C ATOM 120 CD GLN A 9 28.600 25.594 -13.275 1.00 0.00 C ATOM 121 OE1 GLN A 9 29.389 24.668 -13.362 1.00 0.00 O ATOM 122 NE2 GLN A 9 27.899 25.875 -12.180 1.00 0.00 N ATOM 0 H GLN A 9 27.113 25.181 -18.387 1.00 0.00 H new ATOM 0 HA GLN A 9 29.021 26.788 -16.833 1.00 0.00 H new ATOM 0 HB2 GLN A 9 26.608 26.282 -15.710 1.00 0.00 H new ATOM 0 HB3 GLN A 9 27.428 24.788 -15.304 1.00 0.00 H new ATOM 0 HG2 GLN A 9 29.279 26.940 -14.819 1.00 0.00 H new ATOM 0 HG3 GLN A 9 27.747 27.396 -14.100 1.00 0.00 H new ATOM 0 HE21 GLN A 9 27.255 26.666 -12.176 1.00 0.00 H new ATOM 0 HE22 GLN A 9 28.005 25.299 -11.345 1.00 0.00 H new ATOM 131 N ASP A 10 30.497 24.927 -17.487 1.00 0.00 N ATOM 132 CA ASP A 10 31.449 23.852 -17.702 1.00 0.00 C ATOM 133 C ASP A 10 32.807 24.447 -18.083 1.00 0.00 C ATOM 134 O ASP A 10 32.938 25.084 -19.127 1.00 0.00 O ATOM 135 CB ASP A 10 30.998 22.935 -18.842 1.00 0.00 C ATOM 136 CG ASP A 10 31.105 23.544 -20.241 1.00 0.00 C ATOM 137 OD1 ASP A 10 30.243 24.393 -20.559 1.00 0.00 O ATOM 138 OD2 ASP A 10 32.046 23.148 -20.962 1.00 0.00 O ATOM 0 H ASP A 10 30.856 25.861 -17.687 1.00 0.00 H new ATOM 0 HA ASP A 10 31.518 23.274 -16.780 1.00 0.00 H new ATOM 0 HB2 ASP A 10 31.594 22.023 -18.812 1.00 0.00 H new ATOM 0 HB3 ASP A 10 29.962 22.644 -18.667 1.00 0.00 H new ATOM 143 N ARG A 11 33.782 24.218 -17.216 1.00 0.00 N ATOM 144 CA ARG A 11 35.125 24.723 -17.448 1.00 0.00 C ATOM 145 C ARG A 11 36.160 23.640 -17.139 1.00 0.00 C ATOM 146 O ARG A 11 35.864 22.677 -16.435 1.00 0.00 O ATOM 147 CB ARG A 11 35.408 25.952 -16.581 1.00 0.00 C ATOM 148 CG ARG A 11 35.376 25.593 -15.094 1.00 0.00 C ATOM 149 CD ARG A 11 36.623 26.114 -14.377 1.00 0.00 C ATOM 150 NE ARG A 11 36.557 25.778 -12.938 1.00 0.00 N ATOM 151 CZ ARG A 11 35.705 26.346 -12.073 1.00 0.00 C ATOM 152 NH1 ARG A 11 34.843 27.279 -12.497 1.00 0.00 N ATOM 153 NH2 ARG A 11 35.715 25.979 -10.783 1.00 0.00 N ATOM 0 H ARG A 11 33.669 23.689 -16.351 1.00 0.00 H new ATOM 0 HA ARG A 11 35.196 25.008 -18.498 1.00 0.00 H new ATOM 0 HB2 ARG A 11 36.383 26.366 -16.838 1.00 0.00 H new ATOM 0 HB3 ARG A 11 34.669 26.726 -16.788 1.00 0.00 H new ATOM 0 HG2 ARG A 11 34.484 26.017 -14.633 1.00 0.00 H new ATOM 0 HG3 ARG A 11 35.311 24.511 -14.979 1.00 0.00 H new ATOM 0 HD2 ARG A 11 37.517 25.676 -14.820 1.00 0.00 H new ATOM 0 HD3 ARG A 11 36.701 27.194 -14.504 1.00 0.00 H new ATOM 0 HE ARG A 11 37.200 25.070 -12.582 1.00 0.00 H new ATOM 0 HH11 ARG A 11 34.835 27.557 -13.478 1.00 0.00 H new ATOM 0 HH12 ARG A 11 34.195 27.711 -11.839 1.00 0.00 H new ATOM 0 HH21 ARG A 11 36.371 25.268 -10.460 1.00 0.00 H new ATOM 0 HH22 ARG A 11 35.067 26.411 -10.125 1.00 0.00 H new ATOM 167 N GLN A 12 37.353 23.835 -17.683 1.00 0.00 N ATOM 168 CA GLN A 12 38.434 22.888 -17.476 1.00 0.00 C ATOM 169 C GLN A 12 39.781 23.614 -17.460 1.00 0.00 C ATOM 170 O GLN A 12 39.987 24.561 -18.217 1.00 0.00 O ATOM 171 CB GLN A 12 38.414 21.791 -18.542 1.00 0.00 C ATOM 172 CG GLN A 12 38.710 22.369 -19.928 1.00 0.00 C ATOM 173 CD GLN A 12 40.173 22.139 -20.315 1.00 0.00 C ATOM 174 OE1 GLN A 12 41.095 22.503 -19.605 1.00 0.00 O ATOM 175 NE2 GLN A 12 40.331 21.516 -21.480 1.00 0.00 N ATOM 0 H GLN A 12 37.594 24.636 -18.267 1.00 0.00 H new ATOM 0 HA GLN A 12 38.291 22.409 -16.507 1.00 0.00 H new ATOM 0 HB2 GLN A 12 39.152 21.027 -18.297 1.00 0.00 H new ATOM 0 HB3 GLN A 12 37.440 21.302 -18.548 1.00 0.00 H new ATOM 0 HG2 GLN A 12 38.057 21.905 -20.667 1.00 0.00 H new ATOM 0 HG3 GLN A 12 38.491 23.437 -19.935 1.00 0.00 H new ATOM 0 HE21 GLN A 12 39.515 21.238 -22.025 1.00 0.00 H new ATOM 0 HE22 GLN A 12 41.269 21.316 -21.828 1.00 0.00 H new ATOM 184 N GLY A 13 40.661 23.142 -16.590 1.00 0.00 N ATOM 185 CA GLY A 13 41.982 23.734 -16.467 1.00 0.00 C ATOM 186 C GLY A 13 42.734 23.151 -15.267 1.00 0.00 C ATOM 187 O GLY A 13 42.859 23.805 -14.232 1.00 0.00 O ATOM 0 H GLY A 13 40.485 22.357 -15.963 1.00 0.00 H new ATOM 0 HA2 GLY A 13 42.551 23.555 -17.379 1.00 0.00 H new ATOM 0 HA3 GLY A 13 41.891 24.814 -16.354 1.00 0.00 H new ATOM 191 N GLY A 14 43.214 21.930 -15.446 1.00 0.00 N ATOM 192 CA GLY A 14 43.950 21.253 -14.393 1.00 0.00 C ATOM 193 C GLY A 14 44.266 19.808 -14.785 1.00 0.00 C ATOM 194 O GLY A 14 44.656 19.541 -15.920 1.00 0.00 O ATOM 0 H GLY A 14 43.107 21.391 -16.306 1.00 0.00 H new ATOM 0 HA2 GLY A 14 44.877 21.789 -14.190 1.00 0.00 H new ATOM 0 HA3 GLY A 14 43.367 21.264 -13.472 1.00 0.00 H new ATOM 198 N GLU A 15 44.085 18.914 -13.824 1.00 0.00 N ATOM 199 CA GLU A 15 44.346 17.504 -14.055 1.00 0.00 C ATOM 200 C GLU A 15 43.291 16.646 -13.352 1.00 0.00 C ATOM 201 O GLU A 15 43.208 16.642 -12.126 1.00 0.00 O ATOM 202 CB GLU A 15 45.755 17.125 -13.597 1.00 0.00 C ATOM 203 CG GLU A 15 45.929 17.374 -12.097 1.00 0.00 C ATOM 204 CD GLU A 15 46.147 16.059 -11.345 1.00 0.00 C ATOM 205 OE1 GLU A 15 47.155 15.388 -11.653 1.00 0.00 O ATOM 206 OE2 GLU A 15 45.299 15.754 -10.477 1.00 0.00 O ATOM 0 H GLU A 15 43.761 19.139 -12.884 1.00 0.00 H new ATOM 0 HA GLU A 15 44.285 17.314 -15.127 1.00 0.00 H new ATOM 0 HB2 GLU A 15 45.943 16.075 -13.819 1.00 0.00 H new ATOM 0 HB3 GLU A 15 46.491 17.706 -14.154 1.00 0.00 H new ATOM 0 HG2 GLU A 15 46.778 18.037 -11.931 1.00 0.00 H new ATOM 0 HG3 GLU A 15 45.047 17.880 -11.704 1.00 0.00 H new ATOM 213 N ARG A 16 42.513 15.942 -14.161 1.00 0.00 N ATOM 214 CA ARG A 16 41.467 15.083 -13.632 1.00 0.00 C ATOM 215 C ARG A 16 40.889 14.205 -14.743 1.00 0.00 C ATOM 216 O ARG A 16 39.985 14.625 -15.464 1.00 0.00 O ATOM 217 CB ARG A 16 40.342 15.908 -13.004 1.00 0.00 C ATOM 218 CG ARG A 16 40.063 15.455 -11.570 1.00 0.00 C ATOM 219 CD ARG A 16 39.147 14.229 -11.550 1.00 0.00 C ATOM 220 NE ARG A 16 39.958 12.994 -11.471 1.00 0.00 N ATOM 221 CZ ARG A 16 39.498 11.821 -11.015 1.00 0.00 C ATOM 222 NH1 ARG A 16 38.230 11.716 -10.594 1.00 0.00 N ATOM 223 NH2 ARG A 16 40.306 10.752 -10.979 1.00 0.00 N ATOM 0 H ARG A 16 42.586 15.949 -15.178 1.00 0.00 H new ATOM 0 HA ARG A 16 41.913 14.453 -12.862 1.00 0.00 H new ATOM 0 HB2 ARG A 16 40.614 16.963 -13.009 1.00 0.00 H new ATOM 0 HB3 ARG A 16 39.436 15.809 -13.603 1.00 0.00 H new ATOM 0 HG2 ARG A 16 41.003 15.220 -11.070 1.00 0.00 H new ATOM 0 HG3 ARG A 16 39.600 16.268 -11.012 1.00 0.00 H new ATOM 0 HD2 ARG A 16 38.470 14.284 -10.698 1.00 0.00 H new ATOM 0 HD3 ARG A 16 38.529 14.212 -12.448 1.00 0.00 H new ATOM 0 HE ARG A 16 40.928 13.038 -11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 16 37.615 12.529 -10.621 1.00 0.00 H new ATOM 0 HH12 ARG A 16 37.880 10.823 -10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 16 41.271 10.831 -11.299 1.00 0.00 H new ATOM 0 HH22 ARG A 16 39.955 9.859 -10.632 1.00 0.00 H new ATOM 237 N ARG A 17 41.433 13.002 -14.847 1.00 0.00 N ATOM 238 CA ARG A 17 40.983 12.061 -15.858 1.00 0.00 C ATOM 239 C ARG A 17 40.453 10.785 -15.199 1.00 0.00 C ATOM 240 O ARG A 17 41.190 10.093 -14.500 1.00 0.00 O ATOM 241 CB ARG A 17 42.118 11.697 -16.817 1.00 0.00 C ATOM 242 CG ARG A 17 42.048 12.539 -18.093 1.00 0.00 C ATOM 243 CD ARG A 17 41.441 11.738 -19.246 1.00 0.00 C ATOM 244 NE ARG A 17 42.083 12.122 -20.523 1.00 0.00 N ATOM 245 CZ ARG A 17 41.727 13.188 -21.251 1.00 0.00 C ATOM 246 NH1 ARG A 17 40.733 13.984 -20.834 1.00 0.00 N ATOM 247 NH2 ARG A 17 42.366 13.459 -22.398 1.00 0.00 N ATOM 0 H ARG A 17 42.182 12.657 -14.247 1.00 0.00 H new ATOM 0 HA ARG A 17 40.184 12.541 -16.424 1.00 0.00 H new ATOM 0 HB2 ARG A 17 43.078 11.854 -16.326 1.00 0.00 H new ATOM 0 HB3 ARG A 17 42.059 10.639 -17.071 1.00 0.00 H new ATOM 0 HG2 ARG A 17 41.450 13.432 -17.911 1.00 0.00 H new ATOM 0 HG3 ARG A 17 43.048 12.875 -18.366 1.00 0.00 H new ATOM 0 HD2 ARG A 17 41.575 10.671 -19.069 1.00 0.00 H new ATOM 0 HD3 ARG A 17 40.368 11.920 -19.300 1.00 0.00 H new ATOM 0 HE ARG A 17 42.844 11.538 -20.870 1.00 0.00 H new ATOM 0 HH11 ARG A 17 40.247 13.778 -19.961 1.00 0.00 H new ATOM 0 HH12 ARG A 17 40.463 14.796 -21.389 1.00 0.00 H new ATOM 0 HH21 ARG A 17 43.123 12.853 -22.716 1.00 0.00 H new ATOM 0 HH22 ARG A 17 42.095 14.271 -22.953 1.00 0.00 H new ATOM 261 N ARG A 18 39.180 10.515 -15.444 1.00 0.00 N ATOM 262 CA ARG A 18 38.543 9.336 -14.883 1.00 0.00 C ATOM 263 C ARG A 18 38.913 8.094 -15.698 1.00 0.00 C ATOM 264 O ARG A 18 38.036 7.375 -16.173 1.00 0.00 O ATOM 265 CB ARG A 18 37.021 9.488 -14.862 1.00 0.00 C ATOM 266 CG ARG A 18 36.548 10.076 -13.530 1.00 0.00 C ATOM 267 CD ARG A 18 35.059 9.798 -13.307 1.00 0.00 C ATOM 268 NE ARG A 18 34.244 10.736 -14.112 1.00 0.00 N ATOM 269 CZ ARG A 18 34.065 12.028 -13.807 1.00 0.00 C ATOM 270 NH1 ARG A 18 34.642 12.544 -12.713 1.00 0.00 N ATOM 271 NH2 ARG A 18 33.308 12.804 -14.594 1.00 0.00 N ATOM 0 H ARG A 18 38.572 11.093 -16.024 1.00 0.00 H new ATOM 0 HA ARG A 18 38.899 9.223 -13.859 1.00 0.00 H new ATOM 0 HB2 ARG A 18 36.705 10.133 -15.682 1.00 0.00 H new ATOM 0 HB3 ARG A 18 36.552 8.517 -15.022 1.00 0.00 H new ATOM 0 HG2 ARG A 18 37.128 9.648 -12.713 1.00 0.00 H new ATOM 0 HG3 ARG A 18 36.727 11.151 -13.519 1.00 0.00 H new ATOM 0 HD2 ARG A 18 34.827 8.770 -13.585 1.00 0.00 H new ATOM 0 HD3 ARG A 18 34.815 9.905 -12.250 1.00 0.00 H new ATOM 0 HE ARG A 18 33.790 10.376 -14.952 1.00 0.00 H new ATOM 0 HH11 ARG A 18 35.217 11.953 -12.113 1.00 0.00 H new ATOM 0 HH12 ARG A 18 34.506 13.528 -12.480 1.00 0.00 H new ATOM 0 HH21 ARG A 18 32.868 12.411 -15.426 1.00 0.00 H new ATOM 0 HH22 ARG A 18 33.172 13.788 -14.361 1.00 0.00 H new ATOM 285 N SER A 19 40.214 7.882 -15.833 1.00 0.00 N ATOM 286 CA SER A 19 40.710 6.740 -16.583 1.00 0.00 C ATOM 287 C SER A 19 39.917 6.581 -17.881 1.00 0.00 C ATOM 288 O SER A 19 39.348 5.522 -18.139 1.00 0.00 O ATOM 289 CB SER A 19 40.630 5.458 -15.750 1.00 0.00 C ATOM 290 OG SER A 19 41.866 5.158 -15.110 1.00 0.00 O ATOM 0 H SER A 19 40.939 8.480 -15.437 1.00 0.00 H new ATOM 0 HA SER A 19 41.757 6.919 -16.826 1.00 0.00 H new ATOM 0 HB2 SER A 19 39.849 5.563 -14.997 1.00 0.00 H new ATOM 0 HB3 SER A 19 40.343 4.626 -16.393 1.00 0.00 H new ATOM 0 HG SER A 19 41.772 4.334 -14.588 1.00 0.00 H new ATOM 296 N GLN A 20 39.907 7.649 -18.665 1.00 0.00 N ATOM 297 CA GLN A 20 39.194 7.641 -19.931 1.00 0.00 C ATOM 298 C GLN A 20 37.873 6.881 -19.791 1.00 0.00 C ATOM 299 O GLN A 20 37.534 6.057 -20.639 1.00 0.00 O ATOM 300 CB GLN A 20 40.056 7.043 -21.043 1.00 0.00 C ATOM 301 CG GLN A 20 41.043 8.077 -21.588 1.00 0.00 C ATOM 302 CD GLN A 20 42.415 7.929 -20.926 1.00 0.00 C ATOM 303 OE1 GLN A 20 42.829 8.738 -20.112 1.00 0.00 O ATOM 304 NE2 GLN A 20 43.093 6.854 -21.320 1.00 0.00 N ATOM 0 H GLN A 20 40.381 8.526 -18.448 1.00 0.00 H new ATOM 0 HA GLN A 20 38.970 8.672 -20.206 1.00 0.00 H new ATOM 0 HB2 GLN A 20 40.602 6.180 -20.661 1.00 0.00 H new ATOM 0 HB3 GLN A 20 39.417 6.684 -21.850 1.00 0.00 H new ATOM 0 HG2 GLN A 20 41.141 7.958 -22.667 1.00 0.00 H new ATOM 0 HG3 GLN A 20 40.657 9.081 -21.412 1.00 0.00 H new ATOM 0 HE21 GLN A 20 42.686 6.218 -22.006 1.00 0.00 H new ATOM 0 HE22 GLN A 20 44.019 6.666 -20.936 1.00 0.00 H new ATOM 313 N LEU A 21 37.163 7.184 -18.715 1.00 0.00 N ATOM 314 CA LEU A 21 35.887 6.540 -18.453 1.00 0.00 C ATOM 315 C LEU A 21 34.780 7.291 -19.196 1.00 0.00 C ATOM 316 O LEU A 21 34.145 8.182 -18.635 1.00 0.00 O ATOM 317 CB LEU A 21 35.646 6.421 -16.947 1.00 0.00 C ATOM 318 CG LEU A 21 34.343 5.736 -16.529 1.00 0.00 C ATOM 319 CD1 LEU A 21 33.311 6.762 -16.057 1.00 0.00 C ATOM 320 CD2 LEU A 21 33.802 4.853 -17.655 1.00 0.00 C ATOM 0 H LEU A 21 37.447 7.868 -18.013 1.00 0.00 H new ATOM 0 HA LEU A 21 35.890 5.518 -18.833 1.00 0.00 H new ATOM 0 HB2 LEU A 21 36.479 5.872 -16.508 1.00 0.00 H new ATOM 0 HB3 LEU A 21 35.662 7.422 -16.516 1.00 0.00 H new ATOM 0 HG LEU A 21 34.556 5.083 -15.683 1.00 0.00 H new ATOM 0 HD11 LEU A 21 32.395 6.249 -15.766 1.00 0.00 H new ATOM 0 HD12 LEU A 21 33.707 7.310 -15.202 1.00 0.00 H new ATOM 0 HD13 LEU A 21 33.095 7.459 -16.866 1.00 0.00 H new ATOM 0 HD21 LEU A 21 32.876 4.378 -17.332 1.00 0.00 H new ATOM 0 HD22 LEU A 21 33.608 5.465 -18.536 1.00 0.00 H new ATOM 0 HD23 LEU A 21 34.536 4.086 -17.901 1.00 0.00 H new ATOM 332 N ASP A 22 34.583 6.903 -20.448 1.00 0.00 N ATOM 333 CA ASP A 22 33.563 7.528 -21.273 1.00 0.00 C ATOM 334 C ASP A 22 32.301 7.748 -20.437 1.00 0.00 C ATOM 335 O ASP A 22 31.976 6.938 -19.570 1.00 0.00 O ATOM 336 CB ASP A 22 33.194 6.638 -22.461 1.00 0.00 C ATOM 337 CG ASP A 22 33.200 7.338 -23.821 1.00 0.00 C ATOM 338 OD1 ASP A 22 33.027 8.576 -23.822 1.00 0.00 O ATOM 339 OD2 ASP A 22 33.378 6.621 -24.829 1.00 0.00 O ATOM 0 H ASP A 22 35.112 6.164 -20.911 1.00 0.00 H new ATOM 0 HA ASP A 22 33.960 8.474 -21.641 1.00 0.00 H new ATOM 0 HB2 ASP A 22 33.890 5.800 -22.498 1.00 0.00 H new ATOM 0 HB3 ASP A 22 32.202 6.221 -22.289 1.00 0.00 H new ATOM 344 N ARG A 23 31.621 8.848 -20.727 1.00 0.00 N ATOM 345 CA ARG A 23 30.401 9.184 -20.013 1.00 0.00 C ATOM 346 C ARG A 23 29.301 8.172 -20.336 1.00 0.00 C ATOM 347 O ARG A 23 28.228 8.204 -19.736 1.00 0.00 O ATOM 348 CB ARG A 23 29.918 10.588 -20.381 1.00 0.00 C ATOM 349 CG ARG A 23 30.418 11.623 -19.371 1.00 0.00 C ATOM 350 CD ARG A 23 29.843 11.353 -17.979 1.00 0.00 C ATOM 351 NE ARG A 23 29.367 12.617 -17.375 1.00 0.00 N ATOM 352 CZ ARG A 23 29.176 12.797 -16.060 1.00 0.00 C ATOM 353 NH1 ARG A 23 29.422 11.796 -15.205 1.00 0.00 N ATOM 354 NH2 ARG A 23 28.742 13.979 -15.602 1.00 0.00 N ATOM 0 H ARG A 23 31.892 9.518 -21.447 1.00 0.00 H new ATOM 0 HA ARG A 23 30.622 9.156 -18.946 1.00 0.00 H new ATOM 0 HB2 ARG A 23 30.272 10.848 -21.379 1.00 0.00 H new ATOM 0 HB3 ARG A 23 28.829 10.604 -20.415 1.00 0.00 H new ATOM 0 HG2 ARG A 23 31.507 11.599 -19.329 1.00 0.00 H new ATOM 0 HG3 ARG A 23 30.133 12.623 -19.698 1.00 0.00 H new ATOM 0 HD2 ARG A 23 29.021 10.641 -18.048 1.00 0.00 H new ATOM 0 HD3 ARG A 23 30.604 10.900 -17.343 1.00 0.00 H new ATOM 0 HE ARG A 23 29.172 13.401 -17.998 1.00 0.00 H new ATOM 0 HH11 ARG A 23 29.755 10.897 -15.554 1.00 0.00 H new ATOM 0 HH12 ARG A 23 29.277 11.932 -14.205 1.00 0.00 H new ATOM 0 HH21 ARG A 23 28.557 14.742 -16.254 1.00 0.00 H new ATOM 0 HH22 ARG A 23 28.597 14.116 -14.602 1.00 0.00 H new ATOM 368 N ASP A 24 29.606 7.296 -21.283 1.00 0.00 N ATOM 369 CA ASP A 24 28.655 6.276 -21.693 1.00 0.00 C ATOM 370 C ASP A 24 29.354 4.915 -21.715 1.00 0.00 C ATOM 371 O ASP A 24 28.960 4.024 -22.466 1.00 0.00 O ATOM 372 CB ASP A 24 28.119 6.556 -23.098 1.00 0.00 C ATOM 373 CG ASP A 24 26.602 6.730 -23.189 1.00 0.00 C ATOM 374 OD1 ASP A 24 25.911 5.688 -23.199 1.00 0.00 O ATOM 375 OD2 ASP A 24 26.167 7.900 -23.246 1.00 0.00 O ATOM 0 H ASP A 24 30.498 7.272 -21.778 1.00 0.00 H new ATOM 0 HA ASP A 24 27.827 6.281 -20.984 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.597 7.459 -23.479 1.00 0.00 H new ATOM 0 HB3 ASP A 24 28.416 5.737 -23.753 1.00 0.00 H new ATOM 380 N GLN A 25 30.379 4.798 -20.883 1.00 0.00 N ATOM 381 CA GLN A 25 31.135 3.560 -20.798 1.00 0.00 C ATOM 382 C GLN A 25 31.029 2.970 -19.391 1.00 0.00 C ATOM 383 O GLN A 25 31.240 3.672 -18.402 1.00 0.00 O ATOM 384 CB GLN A 25 32.595 3.782 -21.192 1.00 0.00 C ATOM 385 CG GLN A 25 33.360 2.458 -21.234 1.00 0.00 C ATOM 386 CD GLN A 25 34.863 2.697 -21.398 1.00 0.00 C ATOM 387 OE1 GLN A 25 35.330 3.219 -22.396 1.00 0.00 O ATOM 388 NE2 GLN A 25 35.592 2.285 -20.364 1.00 0.00 N ATOM 0 H GLN A 25 30.703 5.540 -20.262 1.00 0.00 H new ATOM 0 HA GLN A 25 30.708 2.846 -21.503 1.00 0.00 H new ATOM 0 HB2 GLN A 25 32.642 4.264 -22.168 1.00 0.00 H new ATOM 0 HB3 GLN A 25 33.069 4.457 -20.480 1.00 0.00 H new ATOM 0 HG2 GLN A 25 33.175 1.898 -20.317 1.00 0.00 H new ATOM 0 HG3 GLN A 25 32.993 1.848 -22.059 1.00 0.00 H new ATOM 0 HE21 GLN A 25 35.137 1.855 -19.558 1.00 0.00 H new ATOM 0 HE22 GLN A 25 36.606 2.399 -20.377 1.00 0.00 H new ATOM 397 N CYS A 26 30.705 1.686 -19.345 1.00 0.00 N ATOM 398 CA CYS A 26 30.570 0.993 -18.075 1.00 0.00 C ATOM 399 C CYS A 26 31.890 1.128 -17.311 1.00 0.00 C ATOM 400 O CYS A 26 32.960 0.885 -17.866 1.00 0.00 O ATOM 401 CB CYS A 26 30.170 -0.471 -18.268 1.00 0.00 C ATOM 402 SG CYS A 26 29.947 -1.279 -16.641 1.00 0.00 S ATOM 0 H CYS A 26 30.532 1.107 -20.167 1.00 0.00 H new ATOM 0 HA CYS A 26 29.767 1.447 -17.495 1.00 0.00 H new ATOM 0 HB2 CYS A 26 29.246 -0.531 -18.843 1.00 0.00 H new ATOM 0 HB3 CYS A 26 30.936 -0.993 -18.841 1.00 0.00 H new ATOM 407 N ALA A 27 31.770 1.513 -16.049 1.00 0.00 N ATOM 408 CA ALA A 27 32.939 1.683 -15.204 1.00 0.00 C ATOM 409 C ALA A 27 33.086 0.463 -14.293 1.00 0.00 C ATOM 410 O ALA A 27 33.584 0.576 -13.174 1.00 0.00 O ATOM 411 CB ALA A 27 32.814 2.988 -14.416 1.00 0.00 C ATOM 0 H ALA A 27 30.880 1.712 -15.591 1.00 0.00 H new ATOM 0 HA ALA A 27 33.843 1.753 -15.809 1.00 0.00 H new ATOM 0 HB1 ALA A 27 33.691 3.116 -13.782 1.00 0.00 H new ATOM 0 HB2 ALA A 27 32.742 3.826 -15.109 1.00 0.00 H new ATOM 0 HB3 ALA A 27 31.919 2.954 -13.795 1.00 0.00 H new ATOM 417 N TYR A 28 32.642 -0.675 -14.805 1.00 0.00 N ATOM 418 CA TYR A 28 32.717 -1.915 -14.052 1.00 0.00 C ATOM 419 C TYR A 28 33.435 -3.003 -14.854 1.00 0.00 C ATOM 420 O TYR A 28 34.484 -3.494 -14.440 1.00 0.00 O ATOM 421 CB TYR A 28 31.271 -2.349 -13.807 1.00 0.00 C ATOM 422 CG TYR A 28 31.110 -3.377 -12.685 1.00 0.00 C ATOM 423 CD1 TYR A 28 31.224 -4.724 -12.963 1.00 0.00 C ATOM 424 CD2 TYR A 28 30.851 -2.957 -11.396 1.00 0.00 C ATOM 425 CE1 TYR A 28 31.073 -5.692 -11.908 1.00 0.00 C ATOM 426 CE2 TYR A 28 30.700 -3.925 -10.341 1.00 0.00 C ATOM 427 CZ TYR A 28 30.818 -5.244 -10.648 1.00 0.00 C ATOM 428 OH TYR A 28 30.676 -6.159 -9.651 1.00 0.00 O ATOM 0 H TYR A 28 32.229 -0.764 -15.733 1.00 0.00 H new ATOM 0 HA TYR A 28 33.272 -1.767 -13.125 1.00 0.00 H new ATOM 0 HB2 TYR A 28 30.674 -1.469 -13.567 1.00 0.00 H new ATOM 0 HB3 TYR A 28 30.867 -2.767 -14.729 1.00 0.00 H new ATOM 0 HD1 TYR A 28 31.426 -5.052 -13.972 1.00 0.00 H new ATOM 0 HD2 TYR A 28 30.762 -1.903 -11.179 1.00 0.00 H new ATOM 0 HE1 TYR A 28 31.160 -6.749 -12.111 1.00 0.00 H new ATOM 0 HE2 TYR A 28 30.497 -3.610 -9.328 1.00 0.00 H new ATOM 0 HH TYR A 28 30.498 -5.697 -8.805 1.00 0.00 H new ATOM 438 N CYS A 29 32.840 -3.346 -15.987 1.00 0.00 N ATOM 439 CA CYS A 29 33.410 -4.365 -16.851 1.00 0.00 C ATOM 440 C CYS A 29 34.264 -3.672 -17.914 1.00 0.00 C ATOM 441 O CYS A 29 35.175 -4.279 -18.476 1.00 0.00 O ATOM 442 CB CYS A 29 32.325 -5.247 -17.477 1.00 0.00 C ATOM 443 SG CYS A 29 31.221 -4.231 -18.524 1.00 0.00 S ATOM 0 H CYS A 29 31.970 -2.937 -16.326 1.00 0.00 H new ATOM 0 HA CYS A 29 34.037 -5.035 -16.263 1.00 0.00 H new ATOM 0 HB2 CYS A 29 32.785 -6.034 -18.075 1.00 0.00 H new ATOM 0 HB3 CYS A 29 31.747 -5.738 -16.694 1.00 0.00 H new ATOM 448 N LYS A 30 33.940 -2.411 -18.158 1.00 0.00 N ATOM 449 CA LYS A 30 34.668 -1.628 -19.143 1.00 0.00 C ATOM 450 C LYS A 30 33.979 -1.762 -20.503 1.00 0.00 C ATOM 451 O LYS A 30 34.618 -1.613 -21.544 1.00 0.00 O ATOM 452 CB LYS A 30 36.145 -2.026 -19.159 1.00 0.00 C ATOM 453 CG LYS A 30 37.040 -0.803 -19.366 1.00 0.00 C ATOM 454 CD LYS A 30 37.956 -0.585 -18.159 1.00 0.00 C ATOM 455 CE LYS A 30 37.815 0.838 -17.615 1.00 0.00 C ATOM 456 NZ LYS A 30 36.537 0.986 -16.880 1.00 0.00 N ATOM 0 H LYS A 30 33.183 -1.912 -17.691 1.00 0.00 H new ATOM 0 HA LYS A 30 34.651 -0.571 -18.879 1.00 0.00 H new ATOM 0 HB2 LYS A 30 36.404 -2.516 -18.220 1.00 0.00 H new ATOM 0 HB3 LYS A 30 36.322 -2.749 -19.955 1.00 0.00 H new ATOM 0 HG2 LYS A 30 37.642 -0.936 -20.265 1.00 0.00 H new ATOM 0 HG3 LYS A 30 36.423 0.082 -19.524 1.00 0.00 H new ATOM 0 HD2 LYS A 30 37.710 -1.303 -17.377 1.00 0.00 H new ATOM 0 HD3 LYS A 30 38.992 -0.768 -18.446 1.00 0.00 H new ATOM 0 HE2 LYS A 30 38.651 1.066 -16.953 1.00 0.00 H new ATOM 0 HE3 LYS A 30 37.855 1.554 -18.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 36.456 1.957 -16.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 35.743 0.789 -17.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 36.514 0.316 -16.085 1.00 0.00 H new ATOM 470 N GLU A 31 32.685 -2.043 -20.451 1.00 0.00 N ATOM 471 CA GLU A 31 31.903 -2.199 -21.666 1.00 0.00 C ATOM 472 C GLU A 31 31.204 -0.885 -22.018 1.00 0.00 C ATOM 473 O GLU A 31 30.478 -0.324 -21.197 1.00 0.00 O ATOM 474 CB GLU A 31 30.892 -3.339 -21.525 1.00 0.00 C ATOM 475 CG GLU A 31 31.590 -4.699 -21.575 1.00 0.00 C ATOM 476 CD GLU A 31 33.086 -4.560 -21.289 1.00 0.00 C ATOM 477 OE1 GLU A 31 33.823 -4.266 -22.255 1.00 0.00 O ATOM 478 OE2 GLU A 31 33.458 -4.750 -20.112 1.00 0.00 O ATOM 0 H GLU A 31 32.158 -2.167 -19.586 1.00 0.00 H new ATOM 0 HA GLU A 31 32.579 -2.458 -22.481 1.00 0.00 H new ATOM 0 HB2 GLU A 31 30.353 -3.237 -20.583 1.00 0.00 H new ATOM 0 HB3 GLU A 31 30.153 -3.276 -22.324 1.00 0.00 H new ATOM 0 HG2 GLU A 31 31.138 -5.371 -20.845 1.00 0.00 H new ATOM 0 HG3 GLU A 31 31.444 -5.150 -22.556 1.00 0.00 H new ATOM 485 N LYS A 32 31.444 -0.433 -23.240 1.00 0.00 N ATOM 486 CA LYS A 32 30.845 0.804 -23.711 1.00 0.00 C ATOM 487 C LYS A 32 29.430 0.520 -24.221 1.00 0.00 C ATOM 488 O LYS A 32 29.234 -0.364 -25.054 1.00 0.00 O ATOM 489 CB LYS A 32 31.748 1.476 -24.747 1.00 0.00 C ATOM 490 CG LYS A 32 31.921 0.590 -25.983 1.00 0.00 C ATOM 491 CD LYS A 32 33.394 0.241 -26.206 1.00 0.00 C ATOM 492 CE LYS A 32 34.018 1.154 -27.263 1.00 0.00 C ATOM 493 NZ LYS A 32 35.446 0.816 -27.461 1.00 0.00 N ATOM 0 H LYS A 32 32.045 -0.901 -23.918 1.00 0.00 H new ATOM 0 HA LYS A 32 30.752 1.517 -22.892 1.00 0.00 H new ATOM 0 HB2 LYS A 32 31.320 2.435 -25.040 1.00 0.00 H new ATOM 0 HB3 LYS A 32 32.722 1.683 -24.305 1.00 0.00 H new ATOM 0 HG2 LYS A 32 31.341 -0.325 -25.863 1.00 0.00 H new ATOM 0 HG3 LYS A 32 31.528 1.103 -26.861 1.00 0.00 H new ATOM 0 HD2 LYS A 32 33.941 0.338 -25.268 1.00 0.00 H new ATOM 0 HD3 LYS A 32 33.482 -0.799 -26.520 1.00 0.00 H new ATOM 0 HE2 LYS A 32 33.480 1.051 -28.205 1.00 0.00 H new ATOM 0 HE3 LYS A 32 33.924 2.195 -26.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 35.855 1.445 -28.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 35.959 0.937 -26.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 35.528 -0.172 -27.776 1.00 0.00 H new ATOM 507 N GLY A 33 28.483 1.286 -23.701 1.00 0.00 N ATOM 508 CA GLY A 33 27.093 1.126 -24.094 1.00 0.00 C ATOM 509 C GLY A 33 26.169 1.182 -22.874 1.00 0.00 C ATOM 510 O GLY A 33 25.212 1.954 -22.852 1.00 0.00 O ATOM 0 H GLY A 33 28.650 2.019 -23.011 1.00 0.00 H new ATOM 0 HA2 GLY A 33 26.818 1.910 -24.799 1.00 0.00 H new ATOM 0 HA3 GLY A 33 26.964 0.174 -24.609 1.00 0.00 H new ATOM 514 N HIS A 34 26.489 0.355 -21.891 1.00 0.00 N ATOM 515 CA HIS A 34 25.700 0.300 -20.673 1.00 0.00 C ATOM 516 C HIS A 34 26.492 0.921 -19.520 1.00 0.00 C ATOM 517 O HIS A 34 27.720 0.970 -19.561 1.00 0.00 O ATOM 518 CB HIS A 34 25.252 -1.132 -20.379 1.00 0.00 C ATOM 519 CG HIS A 34 26.369 -2.047 -19.936 1.00 0.00 C ATOM 520 ND1 HIS A 34 26.934 -2.998 -20.768 1.00 0.00 N ATOM 521 CD2 HIS A 34 27.019 -2.146 -18.740 1.00 0.00 C ATOM 522 CE1 HIS A 34 27.881 -3.634 -20.093 1.00 0.00 C ATOM 523 NE2 HIS A 34 27.931 -3.105 -18.837 1.00 0.00 N ATOM 0 H HIS A 34 27.285 -0.283 -21.913 1.00 0.00 H new ATOM 0 HA HIS A 34 24.789 0.885 -20.800 1.00 0.00 H new ATOM 0 HB2 HIS A 34 24.485 -1.110 -19.604 1.00 0.00 H new ATOM 0 HB3 HIS A 34 24.789 -1.548 -21.274 1.00 0.00 H new ATOM 0 HD1 HIS A 34 26.667 -3.179 -21.736 1.00 0.00 H new ATOM 0 HD2 HIS A 34 26.824 -1.546 -17.864 1.00 0.00 H new ATOM 0 HE1 HIS A 34 28.504 -4.431 -20.471 1.00 0.00 H new ATOM 531 N TRP A 35 25.755 1.382 -18.520 1.00 0.00 N ATOM 532 CA TRP A 35 26.374 1.998 -17.358 1.00 0.00 C ATOM 533 C TRP A 35 26.643 0.901 -16.327 1.00 0.00 C ATOM 534 O TRP A 35 26.055 -0.178 -16.395 1.00 0.00 O ATOM 535 CB TRP A 35 25.504 3.132 -16.811 1.00 0.00 C ATOM 536 CG TRP A 35 25.924 4.524 -17.285 1.00 0.00 C ATOM 537 CD1 TRP A 35 26.121 4.943 -18.543 1.00 0.00 C ATOM 538 CD2 TRP A 35 26.194 5.671 -16.452 1.00 0.00 C ATOM 539 NE1 TRP A 35 26.496 6.271 -18.581 1.00 0.00 N ATOM 540 CE2 TRP A 35 26.542 6.728 -17.269 1.00 0.00 C ATOM 541 CE3 TRP A 35 26.147 5.812 -15.054 1.00 0.00 C ATOM 542 CZ2 TRP A 35 26.868 7.999 -16.782 1.00 0.00 C ATOM 543 CZ3 TRP A 35 26.475 7.089 -14.583 1.00 0.00 C ATOM 544 CH2 TRP A 35 26.827 8.162 -15.392 1.00 0.00 C ATOM 0 H TRP A 35 24.736 1.342 -18.490 1.00 0.00 H new ATOM 0 HA TRP A 35 27.323 2.462 -17.627 1.00 0.00 H new ATOM 0 HB2 TRP A 35 24.469 2.956 -17.105 1.00 0.00 H new ATOM 0 HB3 TRP A 35 25.534 3.106 -15.722 1.00 0.00 H new ATOM 0 HD1 TRP A 35 26.001 4.320 -19.417 1.00 0.00 H new ATOM 0 HE1 TRP A 35 26.702 6.817 -19.418 1.00 0.00 H new ATOM 0 HE3 TRP A 35 25.879 4.999 -14.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 27.137 8.810 -17.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 26.453 7.251 -13.515 1.00 0.00 H new ATOM 0 HH2 TRP A 35 27.068 9.118 -14.951 1.00 0.00 H new ATOM 555 N ALA A 36 27.534 1.212 -15.397 1.00 0.00 N ATOM 556 CA ALA A 36 27.888 0.266 -14.353 1.00 0.00 C ATOM 557 C ALA A 36 26.639 -0.088 -13.545 1.00 0.00 C ATOM 558 O ALA A 36 26.502 -1.212 -13.066 1.00 0.00 O ATOM 559 CB ALA A 36 28.997 0.857 -13.482 1.00 0.00 C ATOM 0 H ALA A 36 28.021 2.106 -15.345 1.00 0.00 H new ATOM 0 HA ALA A 36 28.272 -0.657 -14.787 1.00 0.00 H new ATOM 0 HB1 ALA A 36 29.262 0.147 -12.699 1.00 0.00 H new ATOM 0 HB2 ALA A 36 29.873 1.062 -14.098 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.648 1.784 -13.028 1.00 0.00 H new ATOM 565 N LYS A 37 25.758 0.894 -13.418 1.00 0.00 N ATOM 566 CA LYS A 37 24.523 0.700 -12.676 1.00 0.00 C ATOM 567 C LYS A 37 23.634 -0.295 -13.424 1.00 0.00 C ATOM 568 O LYS A 37 22.622 -0.750 -12.893 1.00 0.00 O ATOM 569 CB LYS A 37 23.846 2.045 -12.402 1.00 0.00 C ATOM 570 CG LYS A 37 24.510 2.763 -11.225 1.00 0.00 C ATOM 571 CD LYS A 37 23.466 3.454 -10.346 1.00 0.00 C ATOM 572 CE LYS A 37 24.040 4.717 -9.701 1.00 0.00 C ATOM 573 NZ LYS A 37 22.961 5.524 -9.091 1.00 0.00 N ATOM 0 H LYS A 37 25.875 1.826 -13.816 1.00 0.00 H new ATOM 0 HA LYS A 37 24.731 0.268 -11.697 1.00 0.00 H new ATOM 0 HB2 LYS A 37 23.900 2.672 -13.292 1.00 0.00 H new ATOM 0 HB3 LYS A 37 22.789 1.887 -12.187 1.00 0.00 H new ATOM 0 HG2 LYS A 37 25.076 2.046 -10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 37 25.222 3.499 -11.598 1.00 0.00 H new ATOM 0 HD2 LYS A 37 22.594 3.712 -10.946 1.00 0.00 H new ATOM 0 HD3 LYS A 37 23.127 2.767 -9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 37 24.772 4.444 -8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 37 24.565 5.309 -10.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 23.346 6.438 -8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 22.210 5.686 -9.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 22.568 5.016 -8.273 1.00 0.00 H new ATOM 587 N ASP A 38 24.043 -0.603 -14.646 1.00 0.00 N ATOM 588 CA ASP A 38 23.296 -1.536 -15.473 1.00 0.00 C ATOM 589 C ASP A 38 24.252 -2.589 -16.037 1.00 0.00 C ATOM 590 O ASP A 38 23.984 -3.178 -17.083 1.00 0.00 O ATOM 591 CB ASP A 38 22.633 -0.819 -16.651 1.00 0.00 C ATOM 592 CG ASP A 38 21.233 -1.321 -17.009 1.00 0.00 C ATOM 593 OD1 ASP A 38 20.294 -0.958 -16.268 1.00 0.00 O ATOM 594 OD2 ASP A 38 21.133 -2.055 -18.015 1.00 0.00 O ATOM 0 H ASP A 38 24.882 -0.223 -15.084 1.00 0.00 H new ATOM 0 HA ASP A 38 22.527 -1.996 -14.852 1.00 0.00 H new ATOM 0 HB2 ASP A 38 22.573 0.245 -16.422 1.00 0.00 H new ATOM 0 HB3 ASP A 38 23.274 -0.921 -17.527 1.00 0.00 H new ATOM 599 N CYS A 39 25.345 -2.795 -15.318 1.00 0.00 N ATOM 600 CA CYS A 39 26.342 -3.767 -15.734 1.00 0.00 C ATOM 601 C CYS A 39 25.735 -5.164 -15.600 1.00 0.00 C ATOM 602 O CYS A 39 25.236 -5.530 -14.537 1.00 0.00 O ATOM 603 CB CYS A 39 27.637 -3.628 -14.931 1.00 0.00 C ATOM 604 SG CYS A 39 28.937 -4.696 -15.652 1.00 0.00 S ATOM 0 H CYS A 39 25.562 -2.306 -14.450 1.00 0.00 H new ATOM 0 HA CYS A 39 26.616 -3.589 -16.774 1.00 0.00 H new ATOM 0 HB2 CYS A 39 27.966 -2.589 -14.933 1.00 0.00 H new ATOM 0 HB3 CYS A 39 27.462 -3.905 -13.892 1.00 0.00 H new ATOM 609 N PRO A 40 25.798 -5.928 -16.724 1.00 0.00 N ATOM 610 CA PRO A 40 25.260 -7.278 -16.743 1.00 0.00 C ATOM 611 C PRO A 40 26.179 -8.245 -15.993 1.00 0.00 C ATOM 612 O PRO A 40 25.892 -9.438 -15.905 1.00 0.00 O ATOM 613 CB PRO A 40 25.112 -7.622 -18.216 1.00 0.00 C ATOM 614 CG PRO A 40 26.000 -6.642 -18.964 1.00 0.00 C ATOM 615 CD PRO A 40 26.380 -5.529 -18.002 1.00 0.00 C ATOM 0 HA PRO A 40 24.301 -7.356 -16.231 1.00 0.00 H new ATOM 0 HB2 PRO A 40 25.416 -8.651 -18.409 1.00 0.00 H new ATOM 0 HB3 PRO A 40 24.074 -7.531 -18.536 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.892 -7.144 -19.338 1.00 0.00 H new ATOM 0 HG3 PRO A 40 25.476 -6.236 -19.829 1.00 0.00 H new ATOM 0 HD2 PRO A 40 27.462 -5.422 -17.928 1.00 0.00 H new ATOM 0 HD3 PRO A 40 25.987 -4.568 -18.333 1.00 0.00 H new ATOM 623 N LYS A 41 27.264 -7.694 -15.469 1.00 0.00 N ATOM 624 CA LYS A 41 28.226 -8.492 -14.730 1.00 0.00 C ATOM 625 C LYS A 41 27.972 -8.328 -13.230 1.00 0.00 C ATOM 626 O LYS A 41 28.416 -9.149 -12.428 1.00 0.00 O ATOM 627 CB LYS A 41 29.653 -8.140 -15.154 1.00 0.00 C ATOM 628 CG LYS A 41 30.472 -9.405 -15.423 1.00 0.00 C ATOM 629 CD LYS A 41 31.897 -9.260 -14.885 1.00 0.00 C ATOM 630 CE LYS A 41 32.196 -10.327 -13.831 1.00 0.00 C ATOM 631 NZ LYS A 41 32.717 -11.556 -14.471 1.00 0.00 N ATOM 0 H LYS A 41 27.498 -6.704 -15.542 1.00 0.00 H new ATOM 0 HA LYS A 41 28.102 -9.550 -14.962 1.00 0.00 H new ATOM 0 HB2 LYS A 41 29.628 -7.521 -16.051 1.00 0.00 H new ATOM 0 HB3 LYS A 41 30.133 -7.550 -14.373 1.00 0.00 H new ATOM 0 HG2 LYS A 41 29.988 -10.262 -14.955 1.00 0.00 H new ATOM 0 HG3 LYS A 41 30.502 -9.602 -16.495 1.00 0.00 H new ATOM 0 HD2 LYS A 41 32.610 -9.344 -15.705 1.00 0.00 H new ATOM 0 HD3 LYS A 41 32.027 -8.269 -14.451 1.00 0.00 H new ATOM 0 HE2 LYS A 41 32.924 -9.946 -13.115 1.00 0.00 H new ATOM 0 HE3 LYS A 41 31.290 -10.558 -13.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 32.915 -12.270 -13.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 32.009 -11.928 -15.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 33.593 -11.335 -14.985 1.00 0.00 H new ATOM 645 N LYS A 42 27.259 -7.262 -12.896 1.00 0.00 N ATOM 646 CA LYS A 42 26.942 -6.980 -11.507 1.00 0.00 C ATOM 647 C LYS A 42 26.531 -8.277 -10.808 1.00 0.00 C ATOM 648 O LYS A 42 26.044 -9.206 -11.450 1.00 0.00 O ATOM 649 CB LYS A 42 25.891 -5.872 -11.412 1.00 0.00 C ATOM 650 CG LYS A 42 26.526 -4.495 -11.615 1.00 0.00 C ATOM 651 CD LYS A 42 26.367 -3.627 -10.364 1.00 0.00 C ATOM 652 CE LYS A 42 27.291 -2.409 -10.422 1.00 0.00 C ATOM 653 NZ LYS A 42 26.600 -1.211 -9.894 1.00 0.00 N ATOM 0 H LYS A 42 26.892 -6.584 -13.564 1.00 0.00 H new ATOM 0 HA LYS A 42 27.821 -6.601 -10.986 1.00 0.00 H new ATOM 0 HB2 LYS A 42 25.118 -6.034 -12.163 1.00 0.00 H new ATOM 0 HB3 LYS A 42 25.403 -5.911 -10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 42 27.584 -4.610 -11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 42 26.062 -3.999 -12.467 1.00 0.00 H new ATOM 0 HD2 LYS A 42 25.332 -3.299 -10.274 1.00 0.00 H new ATOM 0 HD3 LYS A 42 26.593 -4.217 -9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 42 28.193 -2.601 -9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 42 27.605 -2.232 -11.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 27.191 -0.762 -9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 26.433 -0.537 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 25.689 -1.491 -9.477 1.00 0.00 H new ATOM 667 N PRO A 43 26.749 -8.302 -9.466 1.00 0.00 N ATOM 668 CA PRO A 43 26.408 -9.470 -8.672 1.00 0.00 C ATOM 669 C PRO A 43 24.895 -9.568 -8.463 1.00 0.00 C ATOM 670 O PRO A 43 24.316 -8.777 -7.721 1.00 0.00 O ATOM 671 CB PRO A 43 27.178 -9.302 -7.372 1.00 0.00 C ATOM 672 CG PRO A 43 27.551 -7.830 -7.296 1.00 0.00 C ATOM 673 CD PRO A 43 27.325 -7.221 -8.670 1.00 0.00 C ATOM 0 HA PRO A 43 26.680 -10.405 -9.162 1.00 0.00 H new ATOM 0 HB2 PRO A 43 26.569 -9.595 -6.517 1.00 0.00 H new ATOM 0 HB3 PRO A 43 28.068 -9.932 -7.361 1.00 0.00 H new ATOM 0 HG2 PRO A 43 26.944 -7.320 -6.548 1.00 0.00 H new ATOM 0 HG3 PRO A 43 28.592 -7.715 -6.994 1.00 0.00 H new ATOM 0 HD2 PRO A 43 26.651 -6.366 -8.618 1.00 0.00 H new ATOM 0 HD3 PRO A 43 28.259 -6.865 -9.104 1.00 0.00 H new ATOM 681 N ARG A 44 24.300 -10.545 -9.131 1.00 0.00 N ATOM 682 CA ARG A 44 22.866 -10.756 -9.028 1.00 0.00 C ATOM 683 C ARG A 44 22.574 -12.161 -8.497 1.00 0.00 C ATOM 684 O ARG A 44 22.373 -13.093 -9.273 1.00 0.00 O ATOM 685 CB ARG A 44 22.184 -10.580 -10.387 1.00 0.00 C ATOM 686 CG ARG A 44 21.784 -9.121 -10.614 1.00 0.00 C ATOM 687 CD ARG A 44 22.685 -8.463 -11.661 1.00 0.00 C ATOM 688 NE ARG A 44 22.456 -7.000 -11.679 1.00 0.00 N ATOM 689 CZ ARG A 44 21.493 -6.400 -12.392 1.00 0.00 C ATOM 690 NH1 ARG A 44 20.664 -7.131 -13.149 1.00 0.00 N ATOM 691 NH2 ARG A 44 21.359 -5.067 -12.346 1.00 0.00 N ATOM 0 H ARG A 44 24.785 -11.199 -9.746 1.00 0.00 H new ATOM 0 HA ARG A 44 22.470 -10.012 -8.337 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.857 -10.904 -11.181 1.00 0.00 H new ATOM 0 HB3 ARG A 44 21.300 -11.216 -10.440 1.00 0.00 H new ATOM 0 HG2 ARG A 44 20.745 -9.071 -10.940 1.00 0.00 H new ATOM 0 HG3 ARG A 44 21.850 -8.572 -9.675 1.00 0.00 H new ATOM 0 HD2 ARG A 44 23.731 -8.673 -11.436 1.00 0.00 H new ATOM 0 HD3 ARG A 44 22.480 -8.884 -12.645 1.00 0.00 H new ATOM 0 HE ARG A 44 23.069 -6.413 -11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 44 20.765 -8.145 -13.183 1.00 0.00 H new ATOM 0 HH12 ARG A 44 19.931 -6.673 -13.691 1.00 0.00 H new ATOM 0 HH21 ARG A 44 21.990 -4.511 -11.769 1.00 0.00 H new ATOM 0 HH22 ARG A 44 20.626 -4.609 -12.888 1.00 0.00 H new ATOM 705 N GLY A 45 22.560 -12.268 -7.176 1.00 0.00 N ATOM 706 CA GLY A 45 22.295 -13.543 -6.532 1.00 0.00 C ATOM 707 C GLY A 45 23.423 -14.541 -6.806 1.00 0.00 C ATOM 708 O GLY A 45 24.352 -14.242 -7.555 1.00 0.00 O ATOM 0 H GLY A 45 22.728 -11.493 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 45 22.188 -13.396 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 45 21.350 -13.948 -6.894 1.00 0.00 H new ATOM 712 N PRO A 46 23.300 -15.736 -6.169 1.00 0.00 N ATOM 713 CA PRO A 46 22.168 -16.008 -5.300 1.00 0.00 C ATOM 714 C PRO A 46 22.311 -15.273 -3.966 1.00 0.00 C ATOM 715 O PRO A 46 23.422 -15.098 -3.466 1.00 0.00 O ATOM 716 CB PRO A 46 22.146 -17.521 -5.146 1.00 0.00 C ATOM 717 CG PRO A 46 23.530 -18.002 -5.549 1.00 0.00 C ATOM 718 CD PRO A 46 24.233 -16.856 -6.260 1.00 0.00 C ATOM 0 HA PRO A 46 21.225 -15.649 -5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 46 21.918 -17.806 -4.119 1.00 0.00 H new ATOM 0 HB3 PRO A 46 21.378 -17.967 -5.779 1.00 0.00 H new ATOM 0 HG2 PRO A 46 24.097 -18.312 -4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 46 23.457 -18.870 -6.204 1.00 0.00 H new ATOM 0 HD2 PRO A 46 25.184 -16.619 -5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 46 24.450 -17.107 -7.298 1.00 0.00 H new ATOM 726 N ARG A 47 21.172 -14.863 -3.427 1.00 0.00 N ATOM 727 CA ARG A 47 21.157 -14.151 -2.161 1.00 0.00 C ATOM 728 C ARG A 47 21.609 -15.074 -1.028 1.00 0.00 C ATOM 729 O ARG A 47 20.874 -15.974 -0.624 1.00 0.00 O ATOM 730 CB ARG A 47 19.759 -13.616 -1.847 1.00 0.00 C ATOM 731 CG ARG A 47 19.781 -12.097 -1.660 1.00 0.00 C ATOM 732 CD ARG A 47 18.679 -11.427 -2.483 1.00 0.00 C ATOM 733 NE ARG A 47 19.140 -11.220 -3.874 1.00 0.00 N ATOM 734 CZ ARG A 47 18.319 -11.076 -4.924 1.00 0.00 C ATOM 735 NH1 ARG A 47 16.991 -11.115 -4.746 1.00 0.00 N ATOM 736 NH2 ARG A 47 18.826 -10.894 -6.150 1.00 0.00 N ATOM 0 H ARG A 47 20.253 -15.011 -3.844 1.00 0.00 H new ATOM 0 HA ARG A 47 21.845 -13.310 -2.245 1.00 0.00 H new ATOM 0 HB2 ARG A 47 19.076 -13.876 -2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 47 19.378 -14.092 -0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 47 19.650 -11.855 -0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 47 20.753 -11.704 -1.959 1.00 0.00 H new ATOM 0 HD2 ARG A 47 17.782 -12.046 -2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 47 18.409 -10.471 -2.035 1.00 0.00 H new ATOM 0 HE ARG A 47 20.145 -11.185 -4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.606 -11.254 -3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.366 -11.005 -5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 47 19.837 -10.865 -6.285 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.202 -10.784 -6.949 1.00 0.00 H new ATOM 750 N GLY A 48 22.817 -14.818 -0.545 1.00 0.00 N ATOM 751 CA GLY A 48 23.375 -15.614 0.534 1.00 0.00 C ATOM 752 C GLY A 48 24.076 -14.727 1.564 1.00 0.00 C ATOM 753 O GLY A 48 24.471 -13.603 1.255 1.00 0.00 O ATOM 0 H GLY A 48 23.424 -14.071 -0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 48 22.582 -16.183 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 48 24.083 -16.336 0.129 1.00 0.00 H new ATOM 757 N PRO A 49 24.214 -15.279 2.799 1.00 0.00 N ATOM 758 CA PRO A 49 24.861 -14.550 3.878 1.00 0.00 C ATOM 759 C PRO A 49 26.378 -14.518 3.684 1.00 0.00 C ATOM 760 O PRO A 49 26.969 -15.494 3.226 1.00 0.00 O ATOM 761 CB PRO A 49 24.438 -15.269 5.148 1.00 0.00 C ATOM 762 CG PRO A 49 23.954 -16.642 4.708 1.00 0.00 C ATOM 763 CD PRO A 49 23.759 -16.607 3.201 1.00 0.00 C ATOM 0 HA PRO A 49 24.566 -13.501 3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.272 -15.354 5.845 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.647 -14.722 5.662 1.00 0.00 H new ATOM 0 HG2 PRO A 49 24.680 -17.408 4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 49 23.019 -16.895 5.208 1.00 0.00 H new ATOM 0 HD2 PRO A 49 24.337 -17.389 2.709 1.00 0.00 H new ATOM 0 HD3 PRO A 49 22.714 -16.766 2.933 1.00 0.00 H new ATOM 771 N ARG A 50 26.964 -13.387 4.045 1.00 0.00 N ATOM 772 CA ARG A 50 28.402 -13.214 3.917 1.00 0.00 C ATOM 773 C ARG A 50 29.135 -14.417 4.515 1.00 0.00 C ATOM 774 O ARG A 50 28.655 -15.031 5.466 1.00 0.00 O ATOM 775 CB ARG A 50 28.869 -11.939 4.622 1.00 0.00 C ATOM 776 CG ARG A 50 28.379 -11.903 6.071 1.00 0.00 C ATOM 777 CD ARG A 50 29.357 -11.134 6.961 1.00 0.00 C ATOM 778 NE ARG A 50 28.943 -11.241 8.378 1.00 0.00 N ATOM 779 CZ ARG A 50 28.052 -10.429 8.965 1.00 0.00 C ATOM 780 NH1 ARG A 50 27.477 -9.445 8.260 1.00 0.00 N ATOM 781 NH2 ARG A 50 27.737 -10.601 10.255 1.00 0.00 N ATOM 0 H ARG A 50 26.470 -12.580 4.426 1.00 0.00 H new ATOM 0 HA ARG A 50 28.633 -13.133 2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 50 29.957 -11.885 4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 50 28.496 -11.066 4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 50 27.396 -11.434 6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 50 28.264 -12.920 6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 50 30.364 -11.532 6.837 1.00 0.00 H new ATOM 0 HD3 ARG A 50 29.388 -10.087 6.661 1.00 0.00 H new ATOM 0 HE ARG A 50 29.362 -11.979 8.944 1.00 0.00 H new ATOM 0 HH11 ARG A 50 27.717 -9.314 7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 50 26.799 -8.827 8.706 1.00 0.00 H new ATOM 0 HH21 ARG A 50 28.175 -11.350 10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 50 27.059 -9.983 10.701 1.00 0.00 H new ATOM 795 N PRO A 51 30.317 -14.725 3.917 1.00 0.00 N ATOM 796 CA PRO A 51 31.122 -15.843 4.379 1.00 0.00 C ATOM 797 C PRO A 51 31.835 -15.501 5.689 1.00 0.00 C ATOM 798 O PRO A 51 33.022 -15.181 5.689 1.00 0.00 O ATOM 799 CB PRO A 51 32.083 -16.135 3.238 1.00 0.00 C ATOM 800 CG PRO A 51 32.096 -14.884 2.375 1.00 0.00 C ATOM 801 CD PRO A 51 30.917 -14.020 2.787 1.00 0.00 C ATOM 0 HA PRO A 51 30.524 -16.724 4.613 1.00 0.00 H new ATOM 0 HB2 PRO A 51 33.081 -16.360 3.615 1.00 0.00 H new ATOM 0 HB3 PRO A 51 31.756 -17.002 2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 51 33.032 -14.340 2.506 1.00 0.00 H new ATOM 0 HG3 PRO A 51 32.025 -15.148 1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 51 31.240 -13.019 3.072 1.00 0.00 H new ATOM 0 HD3 PRO A 51 30.206 -13.905 1.969 1.00 0.00 H new ATOM 809 N GLN A 52 31.078 -15.579 6.775 1.00 0.00 N ATOM 810 CA GLN A 52 31.623 -15.281 8.088 1.00 0.00 C ATOM 811 C GLN A 52 30.965 -16.166 9.149 1.00 0.00 C ATOM 812 O GLN A 52 30.024 -15.743 9.819 1.00 0.00 O ATOM 813 CB GLN A 52 31.453 -13.799 8.429 1.00 0.00 C ATOM 814 CG GLN A 52 32.195 -13.444 9.719 1.00 0.00 C ATOM 815 CD GLN A 52 33.171 -12.288 9.491 1.00 0.00 C ATOM 816 OE1 GLN A 52 32.953 -11.165 9.914 1.00 0.00 O ATOM 817 NE2 GLN A 52 34.257 -12.625 8.800 1.00 0.00 N ATOM 0 H GLN A 52 30.093 -15.844 6.772 1.00 0.00 H new ATOM 0 HA GLN A 52 32.691 -15.497 8.074 1.00 0.00 H new ATOM 0 HB2 GLN A 52 31.830 -13.188 7.609 1.00 0.00 H new ATOM 0 HB3 GLN A 52 30.394 -13.567 8.539 1.00 0.00 H new ATOM 0 HG2 GLN A 52 31.477 -13.171 10.492 1.00 0.00 H new ATOM 0 HG3 GLN A 52 32.738 -14.317 10.082 1.00 0.00 H new ATOM 0 HE21 GLN A 52 34.377 -13.584 8.475 1.00 0.00 H new ATOM 0 HE22 GLN A 52 34.969 -11.924 8.595 1.00 0.00 H new ATOM 826 N THR A 53 31.487 -17.378 9.269 1.00 0.00 N ATOM 827 CA THR A 53 30.962 -18.326 10.236 1.00 0.00 C ATOM 828 C THR A 53 32.049 -18.724 11.237 1.00 0.00 C ATOM 829 O THR A 53 33.209 -18.345 11.082 1.00 0.00 O ATOM 830 CB THR A 53 30.381 -19.514 9.466 1.00 0.00 C ATOM 831 OG1 THR A 53 31.509 -20.092 8.817 1.00 0.00 O ATOM 832 CG2 THR A 53 29.471 -19.078 8.317 1.00 0.00 C ATOM 0 H THR A 53 32.268 -17.725 8.712 1.00 0.00 H new ATOM 0 HA THR A 53 30.163 -17.883 10.830 1.00 0.00 H new ATOM 0 HB THR A 53 29.821 -20.151 10.150 1.00 0.00 H new ATOM 0 HG1 THR A 53 31.223 -20.871 8.296 1.00 0.00 H new ATOM 0 HG21 THR A 53 29.086 -19.959 7.804 1.00 0.00 H new ATOM 0 HG22 THR A 53 28.639 -18.496 8.713 1.00 0.00 H new ATOM 0 HG23 THR A 53 30.039 -18.468 7.614 1.00 0.00 H new ATOM 840 N SER A 54 31.635 -19.483 12.241 1.00 0.00 N ATOM 841 CA SER A 54 32.559 -19.936 13.267 1.00 0.00 C ATOM 842 C SER A 54 33.200 -18.733 13.962 1.00 0.00 C ATOM 843 O SER A 54 34.076 -18.079 13.397 1.00 0.00 O ATOM 844 CB SER A 54 33.639 -20.844 12.674 1.00 0.00 C ATOM 845 OG SER A 54 34.735 -21.023 13.567 1.00 0.00 O ATOM 0 H SER A 54 30.672 -19.796 12.366 1.00 0.00 H new ATOM 0 HA SER A 54 31.998 -20.515 14.001 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.205 -21.815 12.434 1.00 0.00 H new ATOM 0 HB3 SER A 54 34.000 -20.416 11.739 1.00 0.00 H new ATOM 0 HG SER A 54 35.402 -21.610 13.153 1.00 0.00 H new ATOM 851 N LEU A 55 32.739 -18.477 15.177 1.00 0.00 N ATOM 852 CA LEU A 55 33.257 -17.365 15.956 1.00 0.00 C ATOM 853 C LEU A 55 34.084 -17.907 17.124 1.00 0.00 C ATOM 854 O LEU A 55 35.290 -17.674 17.196 1.00 0.00 O ATOM 855 CB LEU A 55 32.119 -16.437 16.386 1.00 0.00 C ATOM 856 CG LEU A 55 31.559 -15.516 15.301 1.00 0.00 C ATOM 857 CD1 LEU A 55 30.340 -16.144 14.623 1.00 0.00 C ATOM 858 CD2 LEU A 55 31.248 -14.129 15.866 1.00 0.00 C ATOM 0 H LEU A 55 32.012 -19.021 15.642 1.00 0.00 H new ATOM 0 HA LEU A 55 33.925 -16.753 15.350 1.00 0.00 H new ATOM 0 HB2 LEU A 55 31.304 -17.049 16.772 1.00 0.00 H new ATOM 0 HB3 LEU A 55 32.472 -15.820 17.212 1.00 0.00 H new ATOM 0 HG LEU A 55 32.324 -15.388 14.535 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.962 -15.468 13.856 1.00 0.00 H new ATOM 0 HD12 LEU A 55 30.626 -17.090 14.164 1.00 0.00 H new ATOM 0 HD13 LEU A 55 29.562 -16.322 15.365 1.00 0.00 H new ATOM 0 HD21 LEU A 55 30.851 -13.494 15.074 1.00 0.00 H new ATOM 0 HD22 LEU A 55 30.510 -14.218 16.663 1.00 0.00 H new ATOM 0 HD23 LEU A 55 32.161 -13.685 16.264 1.00 0.00 H new ATOM 870 N LEU A 56 33.402 -18.618 18.010 1.00 0.00 N ATOM 871 CA LEU A 56 34.059 -19.194 19.171 1.00 0.00 C ATOM 872 C LEU A 56 34.851 -18.104 19.897 1.00 0.00 C ATOM 873 O LEU A 56 35.890 -18.381 20.495 1.00 0.00 O ATOM 874 CB LEU A 56 34.906 -20.401 18.764 1.00 0.00 C ATOM 875 CG LEU A 56 34.133 -21.634 18.290 1.00 0.00 C ATOM 876 CD1 LEU A 56 34.023 -21.661 16.765 1.00 0.00 C ATOM 877 CD2 LEU A 56 34.756 -22.917 18.843 1.00 0.00 C ATOM 0 H LEU A 56 32.402 -18.808 17.947 1.00 0.00 H new ATOM 0 HA LEU A 56 33.320 -19.575 19.876 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.583 -20.093 17.967 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.524 -20.689 19.614 1.00 0.00 H new ATOM 0 HG LEU A 56 33.118 -21.573 18.684 1.00 0.00 H new ATOM 0 HD11 LEU A 56 33.469 -22.547 16.456 1.00 0.00 H new ATOM 0 HD12 LEU A 56 33.500 -20.768 16.422 1.00 0.00 H new ATOM 0 HD13 LEU A 56 35.021 -21.686 16.329 1.00 0.00 H new ATOM 0 HD21 LEU A 56 34.188 -23.778 18.491 1.00 0.00 H new ATOM 0 HD22 LEU A 56 35.787 -22.998 18.500 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.737 -22.890 19.933 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P C B 504 31.666 -8.948 -3.702 1.00 0.00 P ATOM 891 OP1 C B 504 30.514 -8.137 -4.155 1.00 0.00 O ATOM 892 OP2 C B 504 31.710 -10.366 -4.122 1.00 0.00 O ATOM 893 O5' C B 504 33.003 -8.238 -4.217 1.00 0.00 O ATOM 894 C5' C B 504 34.153 -8.188 -3.374 1.00 0.00 C ATOM 895 C4' C B 504 35.209 -9.146 -3.879 1.00 0.00 C ATOM 896 O4' C B 504 34.637 -10.393 -4.993 1.00 0.00 O ATOM 897 C3' C B 504 35.899 -8.705 -5.166 1.00 0.00 C ATOM 898 O3' C B 504 36.649 -7.518 -4.919 1.00 0.00 O ATOM 899 C2' C B 504 36.791 -9.852 -5.552 1.00 0.00 C ATOM 900 O2' C B 504 37.783 -9.824 -4.550 1.00 0.00 O ATOM 901 C1' C B 504 35.807 -11.016 -5.470 1.00 0.00 C ATOM 902 N1 C B 504 35.569 -11.680 -6.768 1.00 0.00 N ATOM 903 C2 C B 504 36.431 -12.711 -7.137 1.00 0.00 C ATOM 904 O2 C B 504 37.348 -13.020 -6.367 1.00 0.00 O ATOM 905 N3 C B 504 36.235 -13.330 -8.315 1.00 0.00 N ATOM 906 C4 C B 504 35.253 -12.987 -9.124 1.00 0.00 C ATOM 907 N4 C B 504 35.075 -13.611 -10.282 1.00 0.00 N ATOM 908 C5 C B 504 34.345 -11.922 -8.766 1.00 0.00 C ATOM 909 C6 C B 504 34.554 -11.314 -7.589 1.00 0.00 C ATOM 0 H5' C B 504 33.876 -8.446 -2.352 1.00 0.00 H new ATOM 0 H5'' C B 504 34.552 -7.174 -3.350 1.00 0.00 H new ATOM 0 H4' C B 504 35.689 -9.329 -2.918 1.00 0.00 H new ATOM 0 H3' C B 504 35.196 -8.474 -5.967 1.00 0.00 H new ATOM 0 H2' C B 504 37.297 -9.871 -6.518 1.00 0.00 H new ATOM 0 HO2' C B 504 37.976 -8.895 -4.306 1.00 0.00 H new ATOM 0 H1' C B 504 36.177 -11.822 -4.836 1.00 0.00 H new ATOM 0 H41 C B 504 34.310 -13.335 -10.898 1.00 0.00 H new ATOM 0 H42 C B 504 35.703 -14.367 -10.556 1.00 0.00 H new ATOM 0 H5 C B 504 33.535 -11.629 -9.417 1.00 0.00 H new ATOM 0 H6 C B 504 33.897 -10.512 -7.287 1.00 0.00 H new ATOM 921 P C B 505 36.298 -6.169 -5.706 1.00 0.00 P ATOM 922 OP1 C B 505 36.835 -5.006 -4.967 1.00 0.00 O ATOM 923 OP2 C B 505 34.859 -6.155 -6.051 1.00 0.00 O ATOM 924 O5' C B 505 37.130 -6.319 -7.065 1.00 0.00 O ATOM 925 C5' C B 505 38.420 -6.926 -7.048 1.00 0.00 C ATOM 926 C4' C B 505 38.702 -7.586 -8.379 1.00 0.00 C ATOM 927 O4' C B 505 37.718 -8.665 -8.441 1.00 0.00 O ATOM 928 C3' C B 505 38.121 -6.850 -9.582 1.00 0.00 C ATOM 929 O3' C B 505 39.071 -5.903 -10.063 1.00 0.00 O ATOM 930 C2' C B 505 37.841 -7.918 -10.603 1.00 0.00 C ATOM 931 O2' C B 505 39.125 -8.203 -11.113 1.00 0.00 O ATOM 932 C1' C B 505 37.232 -9.003 -9.720 1.00 0.00 C ATOM 933 N1 C B 505 35.754 -9.020 -9.742 1.00 0.00 N ATOM 934 C2 C B 505 35.129 -9.608 -10.841 1.00 0.00 C ATOM 935 O2 C B 505 35.834 -10.085 -11.737 1.00 0.00 O ATOM 936 N3 C B 505 33.785 -9.637 -10.884 1.00 0.00 N ATOM 937 C4 C B 505 33.049 -9.123 -9.918 1.00 0.00 C ATOM 938 N4 C B 505 31.724 -9.161 -9.979 1.00 0.00 N ATOM 939 C5 C B 505 33.672 -8.508 -8.769 1.00 0.00 C ATOM 940 C6 C B 505 35.012 -8.488 -8.741 1.00 0.00 C ATOM 0 H5' C B 505 38.472 -7.665 -6.249 1.00 0.00 H new ATOM 0 H5'' C B 505 39.181 -6.175 -6.837 1.00 0.00 H new ATOM 0 H4' C B 505 39.780 -7.743 -8.422 1.00 0.00 H new ATOM 0 H3' C B 505 37.215 -6.294 -9.342 1.00 0.00 H new ATOM 0 H2' C B 505 37.182 -7.726 -11.450 1.00 0.00 H new ATOM 0 HO2' C B 505 39.746 -7.492 -10.851 1.00 0.00 H new ATOM 0 H1' C B 505 37.505 -10.004 -10.054 1.00 0.00 H new ATOM 0 H41 C B 505 31.167 -8.760 -9.225 1.00 0.00 H new ATOM 0 H42 C B 505 31.263 -9.592 -10.780 1.00 0.00 H new ATOM 0 H5 C B 505 33.085 -8.083 -7.968 1.00 0.00 H new ATOM 0 H6 C B 505 35.513 -8.036 -7.898 1.00 0.00 H new ATOM 952 P U B 506 39.562 -4.711 -9.115 1.00 0.00 P ATOM 953 OP1 U B 506 40.863 -5.064 -8.504 1.00 0.00 O ATOM 954 OP2 U B 506 38.465 -4.314 -8.204 1.00 0.00 O ATOM 955 O5' U B 506 39.809 -3.510 -10.144 1.00 0.00 O ATOM 956 C5' U B 506 39.158 -2.257 -9.947 1.00 0.00 C ATOM 957 C4' U B 506 38.044 -2.086 -10.954 1.00 0.00 C ATOM 958 O4' U B 506 37.991 -3.264 -11.820 1.00 0.00 O ATOM 959 C3' U B 506 36.653 -2.410 -10.417 1.00 0.00 C ATOM 960 O3' U B 506 36.179 -1.316 -9.634 1.00 0.00 O ATOM 961 C2' U B 506 35.798 -2.629 -11.634 1.00 0.00 C ATOM 962 O2' U B 506 35.298 -1.336 -11.897 1.00 0.00 O ATOM 963 C1' U B 506 36.839 -3.142 -12.625 1.00 0.00 C ATOM 964 N1 U B 506 36.478 -4.435 -13.241 1.00 0.00 N ATOM 965 C2 U B 506 36.777 -4.579 -14.561 1.00 0.00 C ATOM 966 O2 U B 506 37.312 -3.711 -15.233 1.00 0.00 O ATOM 967 N3 U B 506 36.441 -5.784 -15.138 1.00 0.00 N ATOM 968 C4 U B 506 35.838 -6.810 -14.454 1.00 0.00 C ATOM 969 O4 U B 506 35.585 -7.844 -15.072 1.00 0.00 O ATOM 970 C5 U B 506 35.549 -6.609 -13.079 1.00 0.00 C ATOM 971 C6 U B 506 35.883 -5.433 -12.541 1.00 0.00 C ATOM 0 H5' U B 506 39.878 -1.445 -10.048 1.00 0.00 H new ATOM 0 H5'' U B 506 38.756 -2.203 -8.935 1.00 0.00 H new ATOM 0 H4' U B 506 38.231 -1.081 -11.333 1.00 0.00 H new ATOM 0 H3' U B 506 36.642 -3.288 -9.772 1.00 0.00 H new ATOM 0 H2' U B 506 34.951 -3.315 -11.609 1.00 0.00 H new ATOM 0 HO2' U B 506 35.905 -0.667 -11.516 1.00 0.00 H new ATOM 0 H1' U B 506 36.956 -2.476 -13.480 1.00 0.00 H new ATOM 0 H3 U B 506 36.652 -5.921 -16.127 1.00 0.00 H new ATOM 0 H5 U B 506 35.076 -7.380 -12.489 1.00 0.00 H new ATOM 0 H6 U B 506 35.668 -5.268 -11.495 1.00 0.00 H new ATOM 982 P C B 507 34.787 -1.433 -8.855 1.00 0.00 P ATOM 983 OP1 C B 507 34.916 -0.828 -7.510 1.00 0.00 O ATOM 984 OP2 C B 507 34.289 -2.824 -8.932 1.00 0.00 O ATOM 985 O5' C B 507 33.811 -0.509 -9.722 1.00 0.00 O ATOM 986 C5' C B 507 34.135 0.862 -9.941 1.00 0.00 C ATOM 987 C4' C B 507 32.904 1.625 -10.373 1.00 0.00 C ATOM 988 O4' C B 507 31.856 0.658 -10.559 1.00 0.00 O ATOM 989 C3' C B 507 32.214 2.397 -9.251 1.00 0.00 C ATOM 990 O3' C B 507 32.776 3.704 -9.159 1.00 0.00 O ATOM 991 C2' C B 507 30.762 2.446 -9.637 1.00 0.00 C ATOM 992 O2' C B 507 30.738 3.458 -10.620 1.00 0.00 O ATOM 993 C1' C B 507 30.557 1.025 -10.154 1.00 0.00 C ATOM 994 N1 C B 507 30.034 0.096 -9.130 1.00 0.00 N ATOM 995 C2 C B 507 28.699 0.233 -8.753 1.00 0.00 C ATOM 996 O2 C B 507 28.020 1.118 -9.287 1.00 0.00 O ATOM 997 N3 C B 507 28.199 -0.601 -7.824 1.00 0.00 N ATOM 998 C4 C B 507 28.937 -1.538 -7.264 1.00 0.00 C ATOM 999 N4 C B 507 28.427 -2.352 -6.348 1.00 0.00 N ATOM 1000 C5 C B 507 30.324 -1.702 -7.637 1.00 0.00 C ATOM 1001 C6 C B 507 30.807 -0.863 -8.566 1.00 0.00 C ATOM 0 H5' C B 507 34.909 0.943 -10.704 1.00 0.00 H new ATOM 0 H5'' C B 507 34.541 1.298 -9.028 1.00 0.00 H new ATOM 0 H4' C B 507 33.244 2.248 -11.200 1.00 0.00 H new ATOM 0 H3' C B 507 32.340 1.930 -8.274 1.00 0.00 H new ATOM 0 H2' C B 507 29.992 2.679 -8.901 1.00 0.00 H new ATOM 0 HO2' C B 507 29.840 3.515 -11.009 1.00 0.00 H new ATOM 0 H1' C B 507 29.810 0.980 -10.946 1.00 0.00 H new ATOM 0 H41 C B 507 29.011 -3.072 -5.924 1.00 0.00 H new ATOM 0 H42 C B 507 27.451 -2.257 -6.068 1.00 0.00 H new ATOM 0 H5 C B 507 30.943 -2.465 -7.188 1.00 0.00 H new ATOM 0 H6 C B 507 31.839 -0.955 -8.872 1.00 0.00 H new ATOM 1013 P C B 508 33.373 4.223 -7.769 1.00 0.00 P ATOM 1014 OP1 C B 508 34.772 3.764 -7.623 1.00 0.00 O ATOM 1015 OP2 C B 508 32.432 3.901 -6.672 1.00 0.00 O ATOM 1016 O5' C B 508 33.390 5.812 -7.954 1.00 0.00 O ATOM 1017 C5' C B 508 33.861 6.649 -6.900 1.00 0.00 C ATOM 1018 C4' C B 508 35.194 7.255 -7.273 1.00 0.00 C ATOM 1019 O4' C B 508 35.815 6.391 -8.246 1.00 0.00 O ATOM 1020 C3' C B 508 35.108 8.392 -8.287 1.00 0.00 C ATOM 1021 O3' C B 508 34.751 9.599 -7.616 1.00 0.00 O ATOM 1022 C2' C B 508 36.479 8.486 -8.897 1.00 0.00 C ATOM 1023 O2' C B 508 37.188 9.255 -7.952 1.00 0.00 O ATOM 1024 C1' C B 508 36.862 7.009 -8.960 1.00 0.00 C ATOM 1025 N1 C B 508 36.953 6.483 -10.338 1.00 0.00 N ATOM 1026 C2 C B 508 38.171 5.939 -10.744 1.00 0.00 C ATOM 1027 O2 C B 508 39.110 5.925 -9.941 1.00 0.00 O ATOM 1028 N3 C B 508 38.278 5.453 -11.994 1.00 0.00 N ATOM 1029 C4 C B 508 37.267 5.477 -12.839 1.00 0.00 C ATOM 1030 N4 C B 508 37.393 4.993 -14.068 1.00 0.00 N ATOM 1031 C5 C B 508 35.994 6.034 -12.442 1.00 0.00 C ATOM 1032 C6 C B 508 35.902 6.515 -11.193 1.00 0.00 C ATOM 0 H5' C B 508 33.960 6.070 -5.982 1.00 0.00 H new ATOM 0 H5'' C B 508 33.137 7.439 -6.701 1.00 0.00 H new ATOM 0 H4' C B 508 35.643 7.481 -6.306 1.00 0.00 H new ATOM 0 H3' C B 508 34.353 8.220 -9.054 1.00 0.00 H new ATOM 0 H2' C B 508 36.628 8.944 -9.875 1.00 0.00 H new ATOM 0 HO2' C B 508 36.559 9.805 -7.440 1.00 0.00 H new ATOM 0 H1' C B 508 37.855 6.825 -8.550 1.00 0.00 H new ATOM 0 H41 C B 508 36.601 5.019 -14.710 1.00 0.00 H new ATOM 0 H42 C B 508 38.282 4.595 -14.371 1.00 0.00 H new ATOM 0 H5 C B 508 35.154 6.062 -13.120 1.00 0.00 H new ATOM 0 H6 C B 508 34.966 6.939 -10.860 1.00 0.00 H new ATOM 1044 P G B 509 33.339 10.292 -7.913 1.00 0.00 P ATOM 1045 OP1 G B 509 33.385 11.712 -7.500 1.00 0.00 O ATOM 1046 OP2 G B 509 32.249 9.455 -7.363 1.00 0.00 O ATOM 1047 O5' G B 509 33.243 10.243 -9.509 1.00 0.00 O ATOM 1048 C5' G B 509 32.487 9.216 -10.147 1.00 0.00 C ATOM 1049 C4' G B 509 31.525 9.821 -11.144 1.00 0.00 C ATOM 1050 O4' G B 509 31.654 8.974 -12.299 1.00 0.00 O ATOM 1051 C3' G B 509 30.058 9.494 -10.882 1.00 0.00 C ATOM 1052 O3' G B 509 29.483 10.512 -10.065 1.00 0.00 O ATOM 1053 C2' G B 509 29.413 9.447 -12.240 1.00 0.00 C ATOM 1054 O2' G B 509 29.260 10.813 -12.558 1.00 0.00 O ATOM 1055 C1' G B 509 30.483 8.706 -13.037 1.00 0.00 C ATOM 1056 N9 G B 509 30.239 7.252 -13.141 1.00 0.00 N ATOM 1057 C8 G B 509 30.000 6.387 -12.132 1.00 0.00 C ATOM 1058 N7 G B 509 29.819 5.141 -12.558 1.00 0.00 N ATOM 1059 C5 G B 509 29.954 5.235 -13.917 1.00 0.00 C ATOM 1060 C6 G B 509 29.873 4.260 -14.934 1.00 0.00 C ATOM 1061 O6 G B 509 29.649 3.064 -14.759 1.00 0.00 O ATOM 1062 N1 G B 509 30.057 4.677 -16.217 1.00 0.00 N ATOM 1063 C2 G B 509 30.305 5.986 -16.441 1.00 0.00 C ATOM 1064 N2 G B 509 30.462 6.234 -17.739 1.00 0.00 N ATOM 1065 N3 G B 509 30.404 6.995 -15.554 1.00 0.00 N ATOM 1066 C4 G B 509 30.210 6.515 -14.295 1.00 0.00 C ATOM 0 H5' G B 509 31.937 8.642 -9.401 1.00 0.00 H new ATOM 0 H5'' G B 509 33.157 8.521 -10.653 1.00 0.00 H new ATOM 0 H4' G B 509 31.734 10.890 -11.169 1.00 0.00 H new ATOM 0 H3' G B 509 29.922 8.550 -10.354 1.00 0.00 H new ATOM 0 H2' G B 509 28.448 8.962 -12.387 1.00 0.00 H new ATOM 0 HO2' G B 509 29.305 11.347 -11.737 1.00 0.00 H new ATOM 0 H1' G B 509 30.521 9.034 -14.076 1.00 0.00 H new ATOM 0 H8 G B 509 29.960 6.676 -11.092 1.00 0.00 H new ATOM 0 H1 G B 509 30.009 4.016 -16.992 1.00 0.00 H new ATOM 0 H21 G B 509 30.656 7.184 -18.057 1.00 0.00 H new ATOM 0 H22 G B 509 30.389 5.474 -18.416 1.00 0.00 H new ATOM 1078 P U B 510 28.043 10.289 -9.405 1.00 0.00 P ATOM 1079 OP1 U B 510 27.013 10.219 -10.465 1.00 0.00 O ATOM 1080 OP2 U B 510 27.837 11.271 -8.316 1.00 0.00 O ATOM 1081 O5' U B 510 28.171 8.838 -8.744 1.00 0.00 O ATOM 1082 C5' U B 510 28.425 8.710 -7.347 1.00 0.00 C ATOM 1083 C4' U B 510 27.120 8.694 -6.581 1.00 0.00 C ATOM 1084 O4' U B 510 26.252 9.655 -7.240 1.00 0.00 O ATOM 1085 C3' U B 510 26.201 7.527 -6.926 1.00 0.00 C ATOM 1086 O3' U B 510 26.579 6.379 -6.150 1.00 0.00 O ATOM 1087 C2' U B 510 24.815 7.997 -6.581 1.00 0.00 C ATOM 1088 O2' U B 510 24.779 7.851 -5.178 1.00 0.00 O ATOM 1089 C1' U B 510 24.868 9.435 -7.089 1.00 0.00 C ATOM 1090 N1 U B 510 24.154 9.634 -8.368 1.00 0.00 N ATOM 1091 C2 U B 510 23.088 10.480 -8.338 1.00 0.00 C ATOM 1092 O2 U B 510 22.713 11.061 -7.332 1.00 0.00 O ATOM 1093 N3 U B 510 22.422 10.668 -9.528 1.00 0.00 N ATOM 1094 C4 U B 510 22.778 10.055 -10.703 1.00 0.00 C ATOM 1095 O4 U B 510 22.109 10.296 -11.707 1.00 0.00 O ATOM 1096 C5 U B 510 23.897 9.180 -10.678 1.00 0.00 C ATOM 1097 C6 U B 510 24.529 9.013 -9.514 1.00 0.00 C ATOM 0 H5' U B 510 29.046 9.538 -7.005 1.00 0.00 H new ATOM 0 H5'' U B 510 28.981 7.793 -7.153 1.00 0.00 H new ATOM 0 H4' U B 510 27.418 8.776 -5.536 1.00 0.00 H new ATOM 0 H3' U B 510 26.260 7.234 -7.974 1.00 0.00 H new ATOM 0 H2' U B 510 23.935 7.500 -6.989 1.00 0.00 H new ATOM 0 HO2' U B 510 25.384 7.128 -4.909 1.00 0.00 H new ATOM 0 HO3' U B 510 25.989 5.628 -6.368 1.00 0.00 H new ATOM 0 H1' U B 510 24.374 10.128 -6.408 1.00 0.00 H new ATOM 0 H3 U B 510 21.620 11.298 -9.537 1.00 0.00 H new ATOM 0 H5 U B 510 24.225 8.667 -11.570 1.00 0.00 H new ATOM 0 H6 U B 510 25.381 8.350 -9.483 1.00 0.00 H new TER 1108 U B 510 HETATM 1109 ZN ZN A 57 29.366 -3.356 -17.475 1.00 0.00 ZN