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 Single : A 1 ALA N :NH3+ 143:sc= 0.0231 (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=-0.00959 X(o=-0.0096,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.288 K(o=-0.29,f=-1.4!) USER MOD Single : A 12 GLN : amide:sc= -1.04 K(o=-1,f=0.39) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.387 K(o=-0.39,f=-3.4!) USER MOD Single : A 28 TYR OH : rot -100:sc= 1.47 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -132:sc= 1.74 (180deg=0.00171) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 517 U O2' : rot -36:sc= 0.429 USER MOD Single : B 518 U O2' : rot -72:sc= 0.533 USER MOD Single : B 519 U O2' : rot -13:sc= 0.382 USER MOD Single : B 520 U O2' : rot -24:sc= 0.533 USER MOD Single : B 521 G O2' : rot -7:sc= 0.6 USER MOD Single : B 522 C O2' : rot -5:sc= 1.4 USER MOD Single : B 523 U O2' : rot -15:sc= 0.653 USER MOD Single : B 523 U O3' : rot 180:sc= 0.387 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 24.027 -3.836 -26.753 1.00 0.00 N ATOM 2 CA ALA A 1 22.891 -3.346 -27.513 1.00 0.00 C ATOM 3 C ALA A 1 23.263 -2.021 -28.184 1.00 0.00 C ATOM 4 O ALA A 1 23.882 -1.160 -27.562 1.00 0.00 O ATOM 5 CB ALA A 1 21.678 -3.210 -26.589 1.00 0.00 C ATOM 0 H1 ALA A 1 23.691 -4.285 -25.877 1.00 0.00 H new ATOM 0 H2 ALA A 1 24.550 -4.533 -27.321 1.00 0.00 H new ATOM 0 H3 ALA A 1 24.655 -3.042 -26.516 1.00 0.00 H new ATOM 0 HA ALA A 1 22.625 -4.051 -28.300 1.00 0.00 H new ATOM 0 HB1 ALA A 1 20.825 -2.842 -27.160 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.436 -4.183 -26.161 1.00 0.00 H new ATOM 0 HB3 ALA A 1 21.908 -2.508 -25.787 1.00 0.00 H new ATOM 11 N THR A 2 22.871 -1.903 -29.444 1.00 0.00 N ATOM 12 CA THR A 2 23.156 -0.698 -30.206 1.00 0.00 C ATOM 13 C THR A 2 21.856 0.004 -30.601 1.00 0.00 C ATOM 14 O THR A 2 20.940 -0.628 -31.126 1.00 0.00 O ATOM 15 CB THR A 2 24.023 -1.091 -31.403 1.00 0.00 C ATOM 16 OG1 THR A 2 25.269 -1.467 -30.823 1.00 0.00 O ATOM 17 CG2 THR A 2 24.372 0.106 -32.291 1.00 0.00 C ATOM 0 H THR A 2 22.359 -2.621 -29.956 1.00 0.00 H new ATOM 0 HA THR A 2 23.710 0.026 -29.609 1.00 0.00 H new ATOM 0 HB THR A 2 23.503 -1.844 -31.995 1.00 0.00 H new ATOM 0 HG1 THR A 2 25.891 -1.738 -31.530 1.00 0.00 H new ATOM 0 HG21 THR A 2 24.988 -0.228 -33.126 1.00 0.00 H new ATOM 0 HG22 THR A 2 23.455 0.555 -32.674 1.00 0.00 H new ATOM 0 HG23 THR A 2 24.921 0.844 -31.707 1.00 0.00 H new ATOM 25 N VAL A 3 21.816 1.301 -30.333 1.00 0.00 N ATOM 26 CA VAL A 3 20.643 2.095 -30.653 1.00 0.00 C ATOM 27 C VAL A 3 21.086 3.460 -31.185 1.00 0.00 C ATOM 28 O VAL A 3 22.175 3.933 -30.860 1.00 0.00 O ATOM 29 CB VAL A 3 19.730 2.199 -29.429 1.00 0.00 C ATOM 30 CG1 VAL A 3 19.227 0.818 -29.002 1.00 0.00 C ATOM 31 CG2 VAL A 3 20.441 2.905 -28.273 1.00 0.00 C ATOM 0 H VAL A 3 22.578 1.821 -29.898 1.00 0.00 H new ATOM 0 HA VAL A 3 20.059 1.613 -31.437 1.00 0.00 H new ATOM 0 HB VAL A 3 18.864 2.800 -29.707 1.00 0.00 H new ATOM 0 HG11 VAL A 3 18.580 0.920 -28.130 1.00 0.00 H new ATOM 0 HG12 VAL A 3 18.665 0.367 -29.820 1.00 0.00 H new ATOM 0 HG13 VAL A 3 20.077 0.183 -28.751 1.00 0.00 H new ATOM 0 HG21 VAL A 3 19.770 2.966 -27.416 1.00 0.00 H new ATOM 0 HG22 VAL A 3 21.333 2.343 -27.997 1.00 0.00 H new ATOM 0 HG23 VAL A 3 20.727 3.910 -28.582 1.00 0.00 H new ATOM 41 N VAL A 4 20.220 4.054 -31.993 1.00 0.00 N ATOM 42 CA VAL A 4 20.509 5.355 -32.573 1.00 0.00 C ATOM 43 C VAL A 4 19.756 6.435 -31.793 1.00 0.00 C ATOM 44 O VAL A 4 18.975 6.126 -30.894 1.00 0.00 O ATOM 45 CB VAL A 4 20.171 5.349 -34.065 1.00 0.00 C ATOM 46 CG1 VAL A 4 21.027 4.328 -34.818 1.00 0.00 C ATOM 47 CG2 VAL A 4 18.681 5.086 -34.288 1.00 0.00 C ATOM 0 H VAL A 4 19.318 3.659 -32.260 1.00 0.00 H new ATOM 0 HA VAL A 4 21.573 5.580 -32.495 1.00 0.00 H new ATOM 0 HB VAL A 4 20.400 6.337 -34.464 1.00 0.00 H new ATOM 0 HG11 VAL A 4 20.766 4.345 -35.876 1.00 0.00 H new ATOM 0 HG12 VAL A 4 22.081 4.579 -34.700 1.00 0.00 H new ATOM 0 HG13 VAL A 4 20.844 3.332 -34.415 1.00 0.00 H new ATOM 0 HG21 VAL A 4 18.467 5.087 -35.357 1.00 0.00 H new ATOM 0 HG22 VAL A 4 18.415 4.117 -33.866 1.00 0.00 H new ATOM 0 HG23 VAL A 4 18.097 5.867 -33.801 1.00 0.00 H new ATOM 57 N SER A 5 20.018 7.679 -32.165 1.00 0.00 N ATOM 58 CA SER A 5 19.375 8.806 -31.512 1.00 0.00 C ATOM 59 C SER A 5 18.305 9.402 -32.429 1.00 0.00 C ATOM 60 O SER A 5 18.626 10.067 -33.413 1.00 0.00 O ATOM 61 CB SER A 5 20.399 9.876 -31.125 1.00 0.00 C ATOM 62 OG SER A 5 19.777 11.120 -30.811 1.00 0.00 O ATOM 0 H SER A 5 20.667 7.931 -32.910 1.00 0.00 H new ATOM 0 HA SER A 5 18.902 8.447 -30.598 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.976 9.532 -30.267 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.102 10.019 -31.946 1.00 0.00 H new ATOM 0 HG SER A 5 20.463 11.776 -30.568 1.00 0.00 H new ATOM 68 N GLY A 6 17.055 9.141 -32.075 1.00 0.00 N ATOM 69 CA GLY A 6 15.936 9.643 -32.853 1.00 0.00 C ATOM 70 C GLY A 6 14.650 8.886 -32.517 1.00 0.00 C ATOM 71 O GLY A 6 14.443 7.768 -32.985 1.00 0.00 O ATOM 0 H GLY A 6 16.793 8.588 -31.259 1.00 0.00 H new ATOM 0 HA2 GLY A 6 15.799 10.706 -32.655 1.00 0.00 H new ATOM 0 HA3 GLY A 6 16.154 9.543 -33.916 1.00 0.00 H new ATOM 75 N GLN A 7 13.820 9.525 -31.706 1.00 0.00 N ATOM 76 CA GLN A 7 12.559 8.926 -31.302 1.00 0.00 C ATOM 77 C GLN A 7 11.722 9.933 -30.510 1.00 0.00 C ATOM 78 O GLN A 7 12.112 10.348 -29.419 1.00 0.00 O ATOM 79 CB GLN A 7 12.795 7.651 -30.490 1.00 0.00 C ATOM 80 CG GLN A 7 13.493 7.964 -29.166 1.00 0.00 C ATOM 81 CD GLN A 7 14.384 6.801 -28.726 1.00 0.00 C ATOM 82 OE1 GLN A 7 15.439 6.548 -29.283 1.00 0.00 O ATOM 83 NE2 GLN A 7 13.899 6.107 -27.699 1.00 0.00 N ATOM 0 H GLN A 7 13.996 10.452 -31.318 1.00 0.00 H new ATOM 0 HA GLN A 7 12.006 8.650 -32.200 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.842 7.159 -30.295 1.00 0.00 H new ATOM 0 HB3 GLN A 7 13.401 6.954 -31.069 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.094 8.867 -29.273 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.747 8.166 -28.397 1.00 0.00 H new ATOM 0 HE21 GLN A 7 13.008 6.373 -27.279 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.418 5.309 -27.332 1.00 0.00 H new ATOM 92 N LYS A 8 10.588 10.297 -31.089 1.00 0.00 N ATOM 93 CA LYS A 8 9.693 11.248 -30.453 1.00 0.00 C ATOM 94 C LYS A 8 8.410 11.366 -31.277 1.00 0.00 C ATOM 95 O LYS A 8 8.331 12.181 -32.195 1.00 0.00 O ATOM 96 CB LYS A 8 10.403 12.584 -30.225 1.00 0.00 C ATOM 97 CG LYS A 8 10.879 12.714 -28.777 1.00 0.00 C ATOM 98 CD LYS A 8 10.018 13.716 -28.005 1.00 0.00 C ATOM 99 CE LYS A 8 10.691 15.089 -27.954 1.00 0.00 C ATOM 100 NZ LYS A 8 9.734 16.150 -28.342 1.00 0.00 N ATOM 0 H LYS A 8 10.268 9.950 -31.993 1.00 0.00 H new ATOM 0 HA LYS A 8 9.404 10.894 -29.463 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.255 12.667 -30.900 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.726 13.404 -30.464 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.838 11.741 -28.288 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.921 13.035 -28.760 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.041 13.803 -28.480 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.849 13.352 -26.992 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.066 15.279 -26.949 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.551 15.104 -28.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.207 17.075 -28.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.396 15.975 -29.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.926 16.145 -27.687 1.00 0.00 H new ATOM 114 N GLN A 9 7.436 10.541 -30.920 1.00 0.00 N ATOM 115 CA GLN A 9 6.161 10.542 -31.616 1.00 0.00 C ATOM 116 C GLN A 9 5.015 10.336 -30.624 1.00 0.00 C ATOM 117 O GLN A 9 5.214 9.774 -29.548 1.00 0.00 O ATOM 118 CB GLN A 9 6.134 9.478 -32.714 1.00 0.00 C ATOM 119 CG GLN A 9 5.625 10.062 -34.033 1.00 0.00 C ATOM 120 CD GLN A 9 4.450 9.247 -34.577 1.00 0.00 C ATOM 121 OE1 GLN A 9 3.731 8.584 -33.848 1.00 0.00 O ATOM 122 NE2 GLN A 9 4.296 9.333 -35.896 1.00 0.00 N ATOM 0 H GLN A 9 7.505 9.867 -30.157 1.00 0.00 H new ATOM 0 HA GLN A 9 6.031 11.513 -32.094 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.135 9.071 -32.855 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.494 8.651 -32.408 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.316 11.096 -33.881 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.433 10.075 -34.765 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.934 9.907 -36.448 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.540 8.825 -36.355 1.00 0.00 H new ATOM 131 N ASP A 10 3.840 10.803 -31.020 1.00 0.00 N ATOM 132 CA ASP A 10 2.662 10.677 -30.180 1.00 0.00 C ATOM 133 C ASP A 10 1.434 11.162 -30.953 1.00 0.00 C ATOM 134 O ASP A 10 1.565 11.820 -31.984 1.00 0.00 O ATOM 135 CB ASP A 10 2.793 11.531 -28.917 1.00 0.00 C ATOM 136 CG ASP A 10 2.940 10.742 -27.614 1.00 0.00 C ATOM 137 OD1 ASP A 10 4.101 10.451 -27.257 1.00 0.00 O ATOM 138 OD2 ASP A 10 1.888 10.449 -27.006 1.00 0.00 O ATOM 0 H ASP A 10 3.679 11.270 -31.913 1.00 0.00 H new ATOM 0 HA ASP A 10 2.559 9.629 -29.899 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.658 12.185 -29.027 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.916 12.173 -28.838 1.00 0.00 H new ATOM 143 N ARG A 11 0.269 10.817 -30.425 1.00 0.00 N ATOM 144 CA ARG A 11 -0.982 11.209 -31.053 1.00 0.00 C ATOM 145 C ARG A 11 -1.729 12.210 -30.170 1.00 0.00 C ATOM 146 O ARG A 11 -1.398 12.377 -28.997 1.00 0.00 O ATOM 147 CB ARG A 11 -1.877 9.993 -31.304 1.00 0.00 C ATOM 148 CG ARG A 11 -2.275 9.901 -32.779 1.00 0.00 C ATOM 149 CD ARG A 11 -1.892 8.540 -33.365 1.00 0.00 C ATOM 150 NE ARG A 11 -2.926 8.094 -34.325 1.00 0.00 N ATOM 151 CZ ARG A 11 -2.847 6.967 -35.045 1.00 0.00 C ATOM 152 NH1 ARG A 11 -1.781 6.165 -34.919 1.00 0.00 N ATOM 153 NH2 ARG A 11 -3.834 6.641 -35.891 1.00 0.00 N ATOM 0 H ARG A 11 0.165 10.271 -29.570 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.741 11.673 -32.010 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.354 9.084 -31.007 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.772 10.062 -30.686 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.349 10.055 -32.880 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.784 10.695 -33.342 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.926 8.609 -33.864 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.786 7.807 -32.565 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.751 8.682 -34.446 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.030 6.413 -34.275 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.721 5.307 -35.467 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.646 7.251 -35.987 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.773 5.783 -36.439 1.00 0.00 H new ATOM 167 N GLN A 12 -2.724 12.851 -30.767 1.00 0.00 N ATOM 168 CA GLN A 12 -3.520 13.831 -30.049 1.00 0.00 C ATOM 169 C GLN A 12 -4.741 14.234 -30.879 1.00 0.00 C ATOM 170 O GLN A 12 -4.741 14.088 -32.101 1.00 0.00 O ATOM 171 CB GLN A 12 -2.681 15.055 -29.679 1.00 0.00 C ATOM 172 CG GLN A 12 -3.079 15.597 -28.305 1.00 0.00 C ATOM 173 CD GLN A 12 -2.037 15.226 -27.247 1.00 0.00 C ATOM 174 OE1 GLN A 12 -1.401 14.186 -27.302 1.00 0.00 O ATOM 175 NE2 GLN A 12 -1.899 16.133 -26.283 1.00 0.00 N ATOM 0 H GLN A 12 -2.996 12.710 -31.740 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.869 13.377 -29.121 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.624 14.789 -29.677 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.812 15.832 -30.432 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.183 16.681 -28.354 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.051 15.196 -28.019 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.463 16.983 -26.297 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.229 15.979 -25.530 1.00 0.00 H new ATOM 184 N GLY A 13 -5.752 14.731 -30.183 1.00 0.00 N ATOM 185 CA GLY A 13 -6.976 15.156 -30.840 1.00 0.00 C ATOM 186 C GLY A 13 -8.108 15.340 -29.827 1.00 0.00 C ATOM 187 O GLY A 13 -7.858 15.622 -28.656 1.00 0.00 O ATOM 0 H GLY A 13 -5.749 14.849 -29.170 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.802 16.092 -31.370 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.268 14.417 -31.586 1.00 0.00 H new ATOM 191 N GLY A 14 -9.328 15.172 -30.313 1.00 0.00 N ATOM 192 CA GLY A 14 -10.500 15.316 -29.465 1.00 0.00 C ATOM 193 C GLY A 14 -11.390 16.462 -29.948 1.00 0.00 C ATOM 194 O GLY A 14 -11.809 16.483 -31.104 1.00 0.00 O ATOM 0 H GLY A 14 -9.531 14.937 -31.285 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.068 14.386 -29.463 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.189 15.501 -28.437 1.00 0.00 H new ATOM 198 N GLU A 15 -11.651 17.389 -29.038 1.00 0.00 N ATOM 199 CA GLU A 15 -12.483 18.538 -29.357 1.00 0.00 C ATOM 200 C GLU A 15 -13.932 18.097 -29.581 1.00 0.00 C ATOM 201 O GLU A 15 -14.190 16.935 -29.891 1.00 0.00 O ATOM 202 CB GLU A 15 -11.942 19.285 -30.577 1.00 0.00 C ATOM 203 CG GLU A 15 -11.240 20.579 -30.161 1.00 0.00 C ATOM 204 CD GLU A 15 -11.516 21.700 -31.165 1.00 0.00 C ATOM 205 OE1 GLU A 15 -12.596 22.318 -31.045 1.00 0.00 O ATOM 206 OE2 GLU A 15 -10.639 21.914 -32.031 1.00 0.00 O ATOM 0 H GLU A 15 -11.301 17.368 -28.080 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.459 19.226 -28.512 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.244 18.647 -31.119 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.760 19.514 -31.260 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.582 20.880 -29.171 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.166 20.407 -30.089 1.00 0.00 H new ATOM 213 N ARG A 16 -14.838 19.048 -29.415 1.00 0.00 N ATOM 214 CA ARG A 16 -16.253 18.774 -29.596 1.00 0.00 C ATOM 215 C ARG A 16 -16.682 17.599 -28.714 1.00 0.00 C ATOM 216 O ARG A 16 -16.757 16.463 -29.180 1.00 0.00 O ATOM 217 CB ARG A 16 -16.569 18.447 -31.056 1.00 0.00 C ATOM 218 CG ARG A 16 -16.843 19.722 -31.857 1.00 0.00 C ATOM 219 CD ARG A 16 -15.569 20.223 -32.541 1.00 0.00 C ATOM 220 NE ARG A 16 -15.777 21.595 -33.057 1.00 0.00 N ATOM 221 CZ ARG A 16 -16.566 21.893 -34.098 1.00 0.00 C ATOM 222 NH1 ARG A 16 -17.226 20.920 -34.740 1.00 0.00 N ATOM 223 NH2 ARG A 16 -16.697 23.166 -34.496 1.00 0.00 N ATOM 0 H ARG A 16 -14.620 20.010 -29.157 1.00 0.00 H new ATOM 0 HA ARG A 16 -16.803 19.670 -29.309 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -15.733 17.907 -31.500 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -17.436 17.789 -31.105 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -17.610 19.527 -32.606 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -17.233 20.495 -31.195 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.739 20.213 -31.834 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -15.299 19.555 -33.359 1.00 0.00 H new ATOM 0 HE ARG A 16 -15.290 22.360 -32.591 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -17.128 19.951 -34.436 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -17.826 21.148 -35.532 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.196 23.908 -34.006 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -17.298 23.393 -35.288 1.00 0.00 H new ATOM 237 N ARG A 17 -16.951 17.913 -27.455 1.00 0.00 N ATOM 238 CA ARG A 17 -17.371 16.898 -26.504 1.00 0.00 C ATOM 239 C ARG A 17 -16.566 15.614 -26.708 1.00 0.00 C ATOM 240 O ARG A 17 -17.137 14.531 -26.824 1.00 0.00 O ATOM 241 CB ARG A 17 -18.862 16.587 -26.653 1.00 0.00 C ATOM 242 CG ARG A 17 -19.526 16.418 -25.284 1.00 0.00 C ATOM 243 CD ARG A 17 -21.045 16.570 -25.389 1.00 0.00 C ATOM 244 NE ARG A 17 -21.498 17.718 -24.575 1.00 0.00 N ATOM 245 CZ ARG A 17 -22.690 18.315 -24.713 1.00 0.00 C ATOM 246 NH1 ARG A 17 -23.556 17.874 -25.635 1.00 0.00 N ATOM 247 NH2 ARG A 17 -23.015 19.352 -23.930 1.00 0.00 N ATOM 0 H ARG A 17 -16.886 18.856 -27.072 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.191 17.288 -25.502 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -19.352 17.391 -27.202 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.991 15.677 -27.239 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -19.282 15.437 -24.876 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -19.130 17.159 -24.590 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -21.333 16.716 -26.430 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -21.534 15.657 -25.049 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.863 18.079 -23.863 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -23.308 17.084 -26.231 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -24.463 18.328 -25.741 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -22.355 19.688 -23.228 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -23.922 19.806 -24.035 1.00 0.00 H new ATOM 261 N ARG A 18 -15.251 15.777 -26.747 1.00 0.00 N ATOM 262 CA ARG A 18 -14.362 14.644 -26.935 1.00 0.00 C ATOM 263 C ARG A 18 -14.859 13.765 -28.084 1.00 0.00 C ATOM 264 O ARG A 18 -15.112 12.576 -27.895 1.00 0.00 O ATOM 265 CB ARG A 18 -14.266 13.801 -25.662 1.00 0.00 C ATOM 266 CG ARG A 18 -13.609 14.593 -24.529 1.00 0.00 C ATOM 267 CD ARG A 18 -14.578 14.788 -23.362 1.00 0.00 C ATOM 268 NE ARG A 18 -14.192 15.983 -22.578 1.00 0.00 N ATOM 269 CZ ARG A 18 -14.519 17.238 -22.912 1.00 0.00 C ATOM 270 NH1 ARG A 18 -15.240 17.472 -24.017 1.00 0.00 N ATOM 271 NH2 ARG A 18 -14.126 18.261 -22.140 1.00 0.00 N ATOM 0 H ARG A 18 -14.781 16.677 -26.652 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.373 15.035 -27.173 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.262 13.481 -25.357 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.689 12.898 -25.862 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.718 14.068 -24.183 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.283 15.564 -24.901 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.595 14.902 -23.738 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.572 13.906 -22.722 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.643 15.842 -21.730 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.540 16.694 -24.604 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.489 18.428 -24.271 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.578 18.084 -21.298 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.375 19.217 -22.394 1.00 0.00 H new ATOM 285 N SER A 19 -14.985 14.382 -29.249 1.00 0.00 N ATOM 286 CA SER A 19 -15.446 13.670 -30.428 1.00 0.00 C ATOM 287 C SER A 19 -16.894 13.215 -30.231 1.00 0.00 C ATOM 288 O SER A 19 -17.815 13.799 -30.799 1.00 0.00 O ATOM 289 CB SER A 19 -14.549 12.470 -30.734 1.00 0.00 C ATOM 290 OG SER A 19 -14.963 11.779 -31.909 1.00 0.00 O ATOM 0 H SER A 19 -14.776 15.369 -29.402 1.00 0.00 H new ATOM 0 HA SER A 19 -15.398 14.350 -31.279 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.520 12.809 -30.856 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.560 11.784 -29.887 1.00 0.00 H new ATOM 0 HG SER A 19 -14.364 11.021 -32.071 1.00 0.00 H new ATOM 296 N GLN A 20 -17.048 12.176 -29.423 1.00 0.00 N ATOM 297 CA GLN A 20 -18.368 11.635 -29.143 1.00 0.00 C ATOM 298 C GLN A 20 -18.315 10.712 -27.925 1.00 0.00 C ATOM 299 O GLN A 20 -19.083 9.754 -27.834 1.00 0.00 O ATOM 300 CB GLN A 20 -18.930 10.903 -30.363 1.00 0.00 C ATOM 301 CG GLN A 20 -20.459 10.865 -30.324 1.00 0.00 C ATOM 302 CD GLN A 20 -21.043 10.819 -31.738 1.00 0.00 C ATOM 303 OE1 GLN A 20 -21.450 11.820 -32.303 1.00 0.00 O ATOM 304 NE2 GLN A 20 -21.061 9.602 -32.274 1.00 0.00 N ATOM 0 H GLN A 20 -16.281 11.695 -28.953 1.00 0.00 H new ATOM 0 HA GLN A 20 -19.039 12.464 -28.917 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -18.598 11.400 -31.274 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -18.538 9.886 -30.394 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -20.790 9.992 -29.761 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -20.835 11.744 -29.800 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.704 8.806 -31.745 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.432 9.464 -33.214 1.00 0.00 H new ATOM 313 N LEU A 21 -17.402 11.030 -27.020 1.00 0.00 N ATOM 314 CA LEU A 21 -17.240 10.241 -25.810 1.00 0.00 C ATOM 315 C LEU A 21 -18.331 10.619 -24.809 1.00 0.00 C ATOM 316 O LEU A 21 -18.305 11.709 -24.239 1.00 0.00 O ATOM 317 CB LEU A 21 -15.821 10.390 -25.260 1.00 0.00 C ATOM 318 CG LEU A 21 -15.521 9.636 -23.962 1.00 0.00 C ATOM 319 CD1 LEU A 21 -15.772 10.523 -22.742 1.00 0.00 C ATOM 320 CD2 LEU A 21 -16.313 8.328 -23.893 1.00 0.00 C ATOM 0 H LEU A 21 -16.766 11.824 -27.100 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.363 9.180 -26.028 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.120 10.052 -26.023 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.626 11.450 -25.094 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.463 9.373 -23.956 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.551 9.963 -21.833 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.129 11.401 -22.792 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.815 10.838 -22.730 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.082 7.811 -22.961 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -17.380 8.546 -23.932 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.042 7.693 -24.737 1.00 0.00 H new ATOM 332 N ASP A 22 -19.265 9.698 -24.622 1.00 0.00 N ATOM 333 CA ASP A 22 -20.364 9.922 -23.699 1.00 0.00 C ATOM 334 C ASP A 22 -19.843 9.834 -22.262 1.00 0.00 C ATOM 335 O ASP A 22 -18.823 9.196 -22.007 1.00 0.00 O ATOM 336 CB ASP A 22 -21.455 8.863 -23.872 1.00 0.00 C ATOM 337 CG ASP A 22 -22.541 9.215 -24.890 1.00 0.00 C ATOM 338 OD1 ASP A 22 -22.162 9.677 -25.988 1.00 0.00 O ATOM 339 OD2 ASP A 22 -23.726 9.014 -24.548 1.00 0.00 O ATOM 0 H ASP A 22 -19.283 8.794 -25.095 1.00 0.00 H new ATOM 0 HA ASP A 22 -20.782 10.907 -23.906 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.986 7.926 -24.172 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -21.927 8.688 -22.905 1.00 0.00 H new ATOM 344 N ARG A 23 -20.569 10.482 -21.363 1.00 0.00 N ATOM 345 CA ARG A 23 -20.193 10.484 -19.959 1.00 0.00 C ATOM 346 C ARG A 23 -20.327 9.078 -19.371 1.00 0.00 C ATOM 347 O ARG A 23 -19.917 8.833 -18.238 1.00 0.00 O ATOM 348 CB ARG A 23 -21.066 11.450 -19.157 1.00 0.00 C ATOM 349 CG ARG A 23 -20.394 12.818 -19.026 1.00 0.00 C ATOM 350 CD ARG A 23 -19.017 12.692 -18.373 1.00 0.00 C ATOM 351 NE ARG A 23 -18.875 13.696 -17.294 1.00 0.00 N ATOM 352 CZ ARG A 23 -17.765 13.857 -16.559 1.00 0.00 C ATOM 353 NH1 ARG A 23 -16.696 13.083 -16.783 1.00 0.00 N ATOM 354 NH2 ARG A 23 -17.727 14.793 -15.601 1.00 0.00 N ATOM 0 H ARG A 23 -21.415 11.009 -21.579 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.155 10.811 -19.894 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.034 11.562 -19.646 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.255 11.037 -18.166 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.293 13.273 -20.011 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.023 13.481 -18.432 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.888 11.689 -17.967 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.236 12.836 -19.120 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.671 14.303 -17.098 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.726 12.371 -17.513 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.852 13.205 -16.224 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.542 15.382 -15.431 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.883 14.916 -15.041 1.00 0.00 H new ATOM 368 N ASP A 24 -20.901 8.190 -20.170 1.00 0.00 N ATOM 369 CA ASP A 24 -21.095 6.815 -19.742 1.00 0.00 C ATOM 370 C ASP A 24 -20.542 5.870 -20.812 1.00 0.00 C ATOM 371 O ASP A 24 -21.000 4.737 -20.940 1.00 0.00 O ATOM 372 CB ASP A 24 -22.581 6.499 -19.556 1.00 0.00 C ATOM 373 CG ASP A 24 -22.940 5.844 -18.221 1.00 0.00 C ATOM 374 OD1 ASP A 24 -23.021 6.595 -17.225 1.00 0.00 O ATOM 375 OD2 ASP A 24 -23.125 4.608 -18.226 1.00 0.00 O ATOM 0 H ASP A 24 -21.238 8.396 -21.111 1.00 0.00 H new ATOM 0 HA ASP A 24 -20.577 6.682 -18.793 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.149 7.424 -19.654 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -22.901 5.841 -20.364 1.00 0.00 H new ATOM 380 N GLN A 25 -19.564 6.374 -21.552 1.00 0.00 N ATOM 381 CA GLN A 25 -18.945 5.590 -22.606 1.00 0.00 C ATOM 382 C GLN A 25 -17.526 5.183 -22.201 1.00 0.00 C ATOM 383 O GLN A 25 -17.056 5.549 -21.125 1.00 0.00 O ATOM 384 CB GLN A 25 -18.939 6.357 -23.929 1.00 0.00 C ATOM 385 CG GLN A 25 -20.021 5.831 -24.874 1.00 0.00 C ATOM 386 CD GLN A 25 -20.065 6.649 -26.166 1.00 0.00 C ATOM 387 OE1 GLN A 25 -19.155 7.392 -26.493 1.00 0.00 O ATOM 388 NE2 GLN A 25 -21.173 6.472 -26.880 1.00 0.00 N ATOM 0 H GLN A 25 -19.186 7.315 -21.442 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.534 4.685 -22.752 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.102 7.418 -23.739 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.962 6.264 -24.402 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.827 4.784 -25.108 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -20.992 5.872 -24.380 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.897 5.834 -26.549 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -21.299 6.974 -27.759 1.00 0.00 H new ATOM 397 N CYS A 26 -16.884 4.433 -23.084 1.00 0.00 N ATOM 398 CA CYS A 26 -15.529 3.973 -22.833 1.00 0.00 C ATOM 399 C CYS A 26 -14.585 4.718 -23.779 1.00 0.00 C ATOM 400 O CYS A 26 -14.874 4.857 -24.967 1.00 0.00 O ATOM 401 CB CYS A 26 -15.409 2.456 -22.985 1.00 0.00 C ATOM 402 SG CYS A 26 -13.686 1.929 -22.663 1.00 0.00 S ATOM 0 H CYS A 26 -17.278 4.132 -23.976 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.254 4.191 -21.801 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -16.086 1.958 -22.291 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -15.707 2.158 -23.990 1.00 0.00 H new ATOM 407 N ALA A 27 -13.477 5.179 -23.217 1.00 0.00 N ATOM 408 CA ALA A 27 -12.490 5.907 -23.996 1.00 0.00 C ATOM 409 C ALA A 27 -11.288 4.998 -24.263 1.00 0.00 C ATOM 410 O ALA A 27 -10.145 5.453 -24.249 1.00 0.00 O ATOM 411 CB ALA A 27 -12.099 7.188 -23.256 1.00 0.00 C ATOM 0 H ALA A 27 -13.241 5.062 -22.232 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.903 6.201 -24.961 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.359 7.734 -23.840 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.982 7.811 -23.116 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.677 6.932 -22.284 1.00 0.00 H new ATOM 417 N TYR A 28 -11.587 3.729 -24.501 1.00 0.00 N ATOM 418 CA TYR A 28 -10.546 2.753 -24.772 1.00 0.00 C ATOM 419 C TYR A 28 -10.919 1.869 -25.964 1.00 0.00 C ATOM 420 O TYR A 28 -10.178 1.795 -26.942 1.00 0.00 O ATOM 421 CB TYR A 28 -10.448 1.882 -23.517 1.00 0.00 C ATOM 422 CG TYR A 28 -9.055 1.298 -23.273 1.00 0.00 C ATOM 423 CD1 TYR A 28 -7.995 2.135 -22.990 1.00 0.00 C ATOM 424 CD2 TYR A 28 -8.859 -0.067 -23.337 1.00 0.00 C ATOM 425 CE1 TYR A 28 -6.684 1.584 -22.761 1.00 0.00 C ATOM 426 CE2 TYR A 28 -7.548 -0.617 -23.108 1.00 0.00 C ATOM 427 CZ TYR A 28 -6.526 0.235 -22.830 1.00 0.00 C ATOM 428 OH TYR A 28 -5.288 -0.285 -22.614 1.00 0.00 O ATOM 0 H TYR A 28 -12.536 3.355 -24.512 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.606 3.251 -25.010 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.738 2.477 -22.651 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -11.165 1.065 -23.597 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.148 3.203 -22.940 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.689 -0.722 -23.559 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.845 2.228 -22.540 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.380 -1.683 -23.156 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.866 -0.493 -23.474 1.00 0.00 H new ATOM 438 N CYS A 29 -12.069 1.221 -25.841 1.00 0.00 N ATOM 439 CA CYS A 29 -12.550 0.345 -26.896 1.00 0.00 C ATOM 440 C CYS A 29 -13.570 1.118 -27.735 1.00 0.00 C ATOM 441 O CYS A 29 -13.746 0.836 -28.919 1.00 0.00 O ATOM 442 CB CYS A 29 -13.138 -0.949 -26.332 1.00 0.00 C ATOM 443 SG CYS A 29 -14.559 -0.569 -25.243 1.00 0.00 S ATOM 0 H CYS A 29 -12.681 1.285 -25.027 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.716 0.042 -27.529 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.457 -1.598 -27.147 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -12.375 -1.491 -25.773 1.00 0.00 H new ATOM 448 N LYS A 30 -14.215 2.077 -27.087 1.00 0.00 N ATOM 449 CA LYS A 30 -15.213 2.893 -27.758 1.00 0.00 C ATOM 450 C LYS A 30 -16.596 2.269 -27.555 1.00 0.00 C ATOM 451 O LYS A 30 -17.477 2.415 -28.401 1.00 0.00 O ATOM 452 CB LYS A 30 -14.840 3.095 -29.228 1.00 0.00 C ATOM 453 CG LYS A 30 -15.241 4.491 -29.709 1.00 0.00 C ATOM 454 CD LYS A 30 -14.230 5.542 -29.248 1.00 0.00 C ATOM 455 CE LYS A 30 -14.374 6.834 -30.054 1.00 0.00 C ATOM 456 NZ LYS A 30 -13.485 6.811 -31.236 1.00 0.00 N ATOM 0 H LYS A 30 -14.066 2.307 -26.105 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.245 3.891 -27.321 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.767 2.957 -29.357 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.334 2.340 -29.839 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.309 4.499 -30.797 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.231 4.741 -29.326 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.377 5.752 -28.189 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.218 5.151 -29.359 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.409 6.957 -30.373 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.130 7.690 -29.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.596 7.696 -31.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.497 6.716 -30.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.736 6.005 -31.844 1.00 0.00 H new ATOM 470 N GLU A 31 -16.743 1.586 -26.429 1.00 0.00 N ATOM 471 CA GLU A 31 -18.002 0.940 -26.105 1.00 0.00 C ATOM 472 C GLU A 31 -18.736 1.724 -25.015 1.00 0.00 C ATOM 473 O GLU A 31 -18.107 2.309 -24.136 1.00 0.00 O ATOM 474 CB GLU A 31 -17.780 -0.513 -25.680 1.00 0.00 C ATOM 475 CG GLU A 31 -17.364 -1.377 -26.871 1.00 0.00 C ATOM 476 CD GLU A 31 -17.886 -2.807 -26.721 1.00 0.00 C ATOM 477 OE1 GLU A 31 -19.066 -3.020 -27.074 1.00 0.00 O ATOM 478 OE2 GLU A 31 -17.093 -3.654 -26.257 1.00 0.00 O ATOM 0 H GLU A 31 -16.010 1.466 -25.730 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.624 0.931 -27.000 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.011 -0.556 -24.909 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -18.695 -0.910 -25.240 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.748 -0.941 -27.793 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.277 -1.390 -26.953 1.00 0.00 H new ATOM 485 N LYS A 32 -20.057 1.710 -25.110 1.00 0.00 N ATOM 486 CA LYS A 32 -20.884 2.413 -24.143 1.00 0.00 C ATOM 487 C LYS A 32 -21.454 1.409 -23.140 1.00 0.00 C ATOM 488 O LYS A 32 -21.869 0.314 -23.519 1.00 0.00 O ATOM 489 CB LYS A 32 -21.953 3.244 -24.856 1.00 0.00 C ATOM 490 CG LYS A 32 -23.047 2.347 -25.439 1.00 0.00 C ATOM 491 CD LYS A 32 -24.410 2.679 -24.832 1.00 0.00 C ATOM 492 CE LYS A 32 -25.494 2.728 -25.912 1.00 0.00 C ATOM 493 NZ LYS A 32 -26.388 1.554 -25.802 1.00 0.00 N ATOM 0 H LYS A 32 -20.576 1.223 -25.841 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.285 3.125 -23.576 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.394 3.953 -24.156 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -21.493 3.828 -25.653 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -23.087 2.473 -26.521 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -22.805 1.302 -25.248 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.671 1.931 -24.084 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -24.359 3.639 -24.319 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -26.074 3.645 -25.812 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -25.032 2.749 -26.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -27.117 1.603 -26.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -25.833 0.683 -25.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -26.843 1.551 -24.867 1.00 0.00 H new ATOM 507 N GLY A 33 -21.455 1.816 -21.879 1.00 0.00 N ATOM 508 CA GLY A 33 -21.967 0.965 -20.818 1.00 0.00 C ATOM 509 C GLY A 33 -20.938 0.807 -19.698 1.00 0.00 C ATOM 510 O GLY A 33 -21.289 0.459 -18.571 1.00 0.00 O ATOM 0 H GLY A 33 -21.109 2.724 -21.568 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.885 1.392 -20.415 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.222 -0.014 -21.223 1.00 0.00 H new ATOM 514 N HIS A 34 -19.686 1.070 -20.046 1.00 0.00 N ATOM 515 CA HIS A 34 -18.603 0.961 -19.083 1.00 0.00 C ATOM 516 C HIS A 34 -17.589 2.080 -19.323 1.00 0.00 C ATOM 517 O HIS A 34 -17.595 2.713 -20.378 1.00 0.00 O ATOM 518 CB HIS A 34 -17.972 -0.433 -19.131 1.00 0.00 C ATOM 519 CG HIS A 34 -17.187 -0.708 -20.391 1.00 0.00 C ATOM 520 ND1 HIS A 34 -17.733 -1.352 -21.488 1.00 0.00 N ATOM 521 CD2 HIS A 34 -15.895 -0.419 -20.717 1.00 0.00 C ATOM 522 CE1 HIS A 34 -16.801 -1.442 -22.426 1.00 0.00 C ATOM 523 NE2 HIS A 34 -15.663 -0.864 -21.946 1.00 0.00 N ATOM 0 H HIS A 34 -19.398 1.358 -20.981 1.00 0.00 H new ATOM 0 HA HIS A 34 -18.995 1.084 -18.073 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -17.313 -0.552 -18.271 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -18.759 -1.181 -19.035 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -18.690 -1.698 -21.562 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.181 0.086 -20.083 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.922 -1.894 -23.400 1.00 0.00 H new ATOM 531 N TRP A 35 -16.741 2.290 -18.327 1.00 0.00 N ATOM 532 CA TRP A 35 -15.722 3.322 -18.417 1.00 0.00 C ATOM 533 C TRP A 35 -14.403 2.653 -18.812 1.00 0.00 C ATOM 534 O TRP A 35 -14.261 1.437 -18.692 1.00 0.00 O ATOM 535 CB TRP A 35 -15.623 4.111 -17.110 1.00 0.00 C ATOM 536 CG TRP A 35 -16.504 5.360 -17.069 1.00 0.00 C ATOM 537 CD1 TRP A 35 -17.808 5.461 -17.358 1.00 0.00 C ATOM 538 CD2 TRP A 35 -16.087 6.694 -16.704 1.00 0.00 C ATOM 539 NE1 TRP A 35 -18.262 6.756 -17.208 1.00 0.00 N ATOM 540 CE2 TRP A 35 -17.182 7.529 -16.797 1.00 0.00 C ATOM 541 CE3 TRP A 35 -14.828 7.177 -16.309 1.00 0.00 C ATOM 542 CZ2 TRP A 35 -17.128 8.898 -16.511 1.00 0.00 C ATOM 543 CZ3 TRP A 35 -14.791 8.549 -16.027 1.00 0.00 C ATOM 544 CH2 TRP A 35 -15.883 9.403 -16.115 1.00 0.00 C ATOM 0 H TRP A 35 -16.739 1.763 -17.454 1.00 0.00 H new ATOM 0 HA TRP A 35 -15.983 4.055 -19.181 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -15.898 3.458 -16.282 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -14.585 4.406 -16.953 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -18.427 4.633 -17.670 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -19.214 7.085 -17.369 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -13.958 6.542 -16.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.999 9.531 -16.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.846 8.973 -15.719 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -15.773 10.451 -15.879 1.00 0.00 H new ATOM 555 N ALA A 36 -13.474 3.475 -19.275 1.00 0.00 N ATOM 556 CA ALA A 36 -12.173 2.979 -19.688 1.00 0.00 C ATOM 557 C ALA A 36 -11.501 2.277 -18.506 1.00 0.00 C ATOM 558 O ALA A 36 -10.824 1.265 -18.683 1.00 0.00 O ATOM 559 CB ALA A 36 -11.334 4.135 -20.234 1.00 0.00 C ATOM 0 H ALA A 36 -13.597 4.483 -19.373 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.278 2.248 -20.489 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.358 3.762 -20.544 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.841 4.580 -21.090 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.204 4.889 -19.458 1.00 0.00 H new ATOM 565 N LYS A 37 -11.710 2.843 -17.327 1.00 0.00 N ATOM 566 CA LYS A 37 -11.133 2.284 -16.116 1.00 0.00 C ATOM 567 C LYS A 37 -11.768 0.921 -15.835 1.00 0.00 C ATOM 568 O LYS A 37 -11.296 0.177 -14.977 1.00 0.00 O ATOM 569 CB LYS A 37 -11.261 3.273 -14.955 1.00 0.00 C ATOM 570 CG LYS A 37 -10.464 4.549 -15.232 1.00 0.00 C ATOM 571 CD LYS A 37 -10.867 5.667 -14.268 1.00 0.00 C ATOM 572 CE LYS A 37 -10.636 7.042 -14.897 1.00 0.00 C ATOM 573 NZ LYS A 37 -10.439 8.066 -13.845 1.00 0.00 N ATOM 0 H LYS A 37 -12.271 3.683 -17.184 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.064 2.117 -16.246 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.311 3.522 -14.799 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.903 2.809 -14.036 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.398 4.345 -15.133 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.632 4.872 -16.259 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.917 5.558 -13.998 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.291 5.583 -13.347 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.763 7.009 -15.549 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.489 7.311 -15.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.283 8.994 -14.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.284 8.109 -13.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.611 7.815 -13.267 1.00 0.00 H new ATOM 587 N ASP A 38 -12.831 0.635 -16.574 1.00 0.00 N ATOM 588 CA ASP A 38 -13.535 -0.626 -16.415 1.00 0.00 C ATOM 589 C ASP A 38 -13.687 -1.296 -17.783 1.00 0.00 C ATOM 590 O ASP A 38 -14.617 -2.071 -17.997 1.00 0.00 O ATOM 591 CB ASP A 38 -14.935 -0.405 -15.838 1.00 0.00 C ATOM 592 CG ASP A 38 -15.379 -1.444 -14.806 1.00 0.00 C ATOM 593 OD1 ASP A 38 -14.547 -1.768 -13.932 1.00 0.00 O ATOM 594 OD2 ASP A 38 -16.542 -1.890 -14.914 1.00 0.00 O ATOM 0 H ASP A 38 -13.221 1.255 -17.284 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.958 -1.252 -15.734 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.970 0.582 -15.376 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.653 -0.399 -16.658 1.00 0.00 H new ATOM 599 N CYS A 39 -12.760 -0.972 -18.671 1.00 0.00 N ATOM 600 CA CYS A 39 -12.779 -1.532 -20.011 1.00 0.00 C ATOM 601 C CYS A 39 -12.460 -3.026 -19.912 1.00 0.00 C ATOM 602 O CYS A 39 -11.480 -3.415 -19.279 1.00 0.00 O ATOM 603 CB CYS A 39 -11.809 -0.803 -20.944 1.00 0.00 C ATOM 604 SG CYS A 39 -12.040 -1.384 -22.664 1.00 0.00 S ATOM 0 H CYS A 39 -11.990 -0.328 -18.489 1.00 0.00 H new ATOM 0 HA CYS A 39 -13.769 -1.400 -20.448 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.977 0.273 -20.889 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.782 -0.982 -20.626 1.00 0.00 H new ATOM 609 N PRO A 40 -13.331 -3.844 -20.563 1.00 0.00 N ATOM 610 CA PRO A 40 -13.152 -5.285 -20.553 1.00 0.00 C ATOM 611 C PRO A 40 -12.011 -5.702 -21.484 1.00 0.00 C ATOM 612 O PRO A 40 -11.715 -6.889 -21.614 1.00 0.00 O ATOM 613 CB PRO A 40 -14.499 -5.851 -20.976 1.00 0.00 C ATOM 614 CG PRO A 40 -15.238 -4.708 -21.652 1.00 0.00 C ATOM 615 CD PRO A 40 -14.503 -3.418 -21.322 1.00 0.00 C ATOM 0 HA PRO A 40 -12.863 -5.666 -19.574 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.372 -6.692 -21.658 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.055 -6.220 -20.114 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.274 -4.862 -22.731 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.269 -4.660 -21.302 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.216 -2.883 -22.227 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.129 -2.743 -20.738 1.00 0.00 H new ATOM 623 N LYS A 41 -11.402 -4.704 -22.104 1.00 0.00 N ATOM 624 CA LYS A 41 -10.299 -4.952 -23.018 1.00 0.00 C ATOM 625 C LYS A 41 -8.975 -4.691 -22.296 1.00 0.00 C ATOM 626 O LYS A 41 -7.923 -5.155 -22.734 1.00 0.00 O ATOM 627 CB LYS A 41 -10.471 -4.135 -24.300 1.00 0.00 C ATOM 628 CG LYS A 41 -9.491 -4.597 -25.380 1.00 0.00 C ATOM 629 CD LYS A 41 -9.209 -3.475 -26.382 1.00 0.00 C ATOM 630 CE LYS A 41 -7.718 -3.399 -26.715 1.00 0.00 C ATOM 631 NZ LYS A 41 -7.330 -4.508 -27.615 1.00 0.00 N ATOM 0 H LYS A 41 -11.651 -3.721 -21.992 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.292 -5.996 -23.331 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.493 -4.235 -24.665 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.311 -3.078 -24.086 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.558 -4.918 -24.916 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.901 -5.461 -25.902 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.781 -3.645 -27.294 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.542 -2.522 -25.970 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.494 -2.443 -27.188 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.132 -3.446 -25.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.315 -4.441 -27.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.526 -5.417 -27.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.876 -4.446 -28.498 1.00 0.00 H new ATOM 645 N LYS A 42 -9.071 -3.951 -21.201 1.00 0.00 N ATOM 646 CA LYS A 42 -7.894 -3.623 -20.415 1.00 0.00 C ATOM 647 C LYS A 42 -7.081 -4.895 -20.166 1.00 0.00 C ATOM 648 O LYS A 42 -7.465 -5.732 -19.352 1.00 0.00 O ATOM 649 CB LYS A 42 -8.294 -2.888 -19.133 1.00 0.00 C ATOM 650 CG LYS A 42 -8.434 -1.385 -19.383 1.00 0.00 C ATOM 651 CD LYS A 42 -7.100 -0.668 -19.169 1.00 0.00 C ATOM 652 CE LYS A 42 -7.300 0.651 -18.419 1.00 0.00 C ATOM 653 NZ LYS A 42 -7.764 1.708 -19.345 1.00 0.00 N ATOM 0 H LYS A 42 -9.945 -3.570 -20.840 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.250 -2.935 -20.963 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.237 -3.287 -18.760 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.545 -3.064 -18.360 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.784 -1.213 -20.401 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.186 -0.970 -18.712 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.424 -1.311 -18.606 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.628 -0.475 -20.132 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.028 0.515 -17.619 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.364 0.955 -17.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.196 2.568 -19.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.658 1.381 -20.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.765 1.920 -19.157 1.00 0.00 H new ATOM 667 N PRO A 43 -5.943 -5.002 -20.903 1.00 0.00 N ATOM 668 CA PRO A 43 -5.073 -6.157 -20.772 1.00 0.00 C ATOM 669 C PRO A 43 -4.266 -6.092 -19.473 1.00 0.00 C ATOM 670 O PRO A 43 -4.422 -5.157 -18.689 1.00 0.00 O ATOM 671 CB PRO A 43 -4.198 -6.136 -22.015 1.00 0.00 C ATOM 672 CG PRO A 43 -4.290 -4.721 -22.564 1.00 0.00 C ATOM 673 CD PRO A 43 -5.457 -4.030 -21.878 1.00 0.00 C ATOM 0 HA PRO A 43 -5.627 -7.094 -20.707 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.167 -6.395 -21.772 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.544 -6.863 -22.749 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.363 -4.179 -22.379 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.438 -4.739 -23.644 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.141 -3.107 -21.393 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.235 -3.764 -22.593 1.00 0.00 H new ATOM 681 N ARG A 44 -3.422 -7.096 -19.286 1.00 0.00 N ATOM 682 CA ARG A 44 -2.591 -7.163 -18.097 1.00 0.00 C ATOM 683 C ARG A 44 -1.567 -6.026 -18.098 1.00 0.00 C ATOM 684 O ARG A 44 -0.495 -6.153 -18.689 1.00 0.00 O ATOM 685 CB ARG A 44 -1.856 -8.502 -18.013 1.00 0.00 C ATOM 686 CG ARG A 44 -1.162 -8.664 -16.659 1.00 0.00 C ATOM 687 CD ARG A 44 -2.103 -9.296 -15.632 1.00 0.00 C ATOM 688 NE ARG A 44 -1.577 -10.614 -15.208 1.00 0.00 N ATOM 689 CZ ARG A 44 -1.943 -11.242 -14.083 1.00 0.00 C ATOM 690 NH1 ARG A 44 -2.838 -10.677 -13.261 1.00 0.00 N ATOM 691 NH2 ARG A 44 -1.415 -12.435 -13.779 1.00 0.00 N ATOM 0 H ARG A 44 -3.296 -7.870 -19.939 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.245 -7.065 -17.231 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.562 -9.318 -18.163 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.119 -8.567 -18.813 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.274 -9.285 -16.774 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.827 -7.691 -16.300 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.204 -8.640 -14.767 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.098 -9.413 -16.062 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.893 -11.072 -15.810 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.241 -9.769 -13.492 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.117 -11.155 -12.404 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.734 -12.866 -14.404 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.694 -12.913 -12.922 1.00 0.00 H new ATOM 705 N GLY A 45 -1.933 -4.942 -17.432 1.00 0.00 N ATOM 706 CA GLY A 45 -1.059 -3.783 -17.350 1.00 0.00 C ATOM 707 C GLY A 45 -1.092 -3.170 -15.949 1.00 0.00 C ATOM 708 O GLY A 45 -1.785 -3.670 -15.064 1.00 0.00 O ATOM 0 H GLY A 45 -2.823 -4.841 -16.944 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.039 -4.074 -17.600 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.367 -3.038 -18.084 1.00 0.00 H new ATOM 712 N PRO A 46 -0.313 -2.067 -15.786 1.00 0.00 N ATOM 713 CA PRO A 46 0.476 -1.539 -16.886 1.00 0.00 C ATOM 714 C PRO A 46 1.707 -2.411 -17.145 1.00 0.00 C ATOM 715 O PRO A 46 1.889 -2.921 -18.249 1.00 0.00 O ATOM 716 CB PRO A 46 0.830 -0.121 -16.471 1.00 0.00 C ATOM 717 CG PRO A 46 0.624 -0.063 -14.966 1.00 0.00 C ATOM 718 CD PRO A 46 -0.166 -1.294 -14.556 1.00 0.00 C ATOM 0 HA PRO A 46 -0.067 -1.539 -17.831 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.861 0.117 -16.733 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.196 0.605 -16.980 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.584 -0.036 -14.450 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.088 0.845 -14.689 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.359 -1.865 -13.790 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.136 -1.022 -14.141 1.00 0.00 H new ATOM 726 N ARG A 47 2.519 -2.555 -16.108 1.00 0.00 N ATOM 727 CA ARG A 47 3.727 -3.356 -16.210 1.00 0.00 C ATOM 728 C ARG A 47 4.732 -2.683 -17.146 1.00 0.00 C ATOM 729 O ARG A 47 4.356 -1.862 -17.980 1.00 0.00 O ATOM 730 CB ARG A 47 3.415 -4.760 -16.731 1.00 0.00 C ATOM 731 CG ARG A 47 3.520 -5.796 -15.610 1.00 0.00 C ATOM 732 CD ARG A 47 4.741 -6.696 -15.808 1.00 0.00 C ATOM 733 NE ARG A 47 4.350 -7.932 -16.523 1.00 0.00 N ATOM 734 CZ ARG A 47 3.685 -8.948 -15.957 1.00 0.00 C ATOM 735 NH1 ARG A 47 3.333 -8.881 -14.665 1.00 0.00 N ATOM 736 NH2 ARG A 47 3.371 -10.030 -16.682 1.00 0.00 N ATOM 0 H ARG A 47 2.364 -2.131 -15.193 1.00 0.00 H new ATOM 0 HA ARG A 47 4.155 -3.439 -15.211 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.412 -4.779 -17.156 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.106 -5.016 -17.534 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.589 -5.290 -14.647 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.616 -6.404 -15.586 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.506 -6.165 -16.375 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.178 -6.948 -14.842 1.00 0.00 H new ATOM 0 HE ARG A 47 4.603 -8.015 -17.508 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.572 -8.057 -14.114 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.827 -9.654 -14.234 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.638 -10.080 -17.665 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.865 -10.803 -16.251 1.00 0.00 H new ATOM 750 N GLY A 48 5.993 -3.059 -16.979 1.00 0.00 N ATOM 751 CA GLY A 48 7.054 -2.502 -17.798 1.00 0.00 C ATOM 752 C GLY A 48 7.186 -3.266 -19.117 1.00 0.00 C ATOM 753 O GLY A 48 6.776 -4.422 -19.213 1.00 0.00 O ATOM 0 H GLY A 48 6.302 -3.743 -16.288 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.848 -1.451 -18.001 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.998 -2.542 -17.254 1.00 0.00 H new ATOM 757 N PRO A 49 7.776 -2.572 -20.128 1.00 0.00 N ATOM 758 CA PRO A 49 7.967 -3.173 -21.437 1.00 0.00 C ATOM 759 C PRO A 49 9.115 -4.183 -21.415 1.00 0.00 C ATOM 760 O PRO A 49 10.197 -3.910 -21.931 1.00 0.00 O ATOM 761 CB PRO A 49 8.223 -2.003 -22.373 1.00 0.00 C ATOM 762 CG PRO A 49 8.626 -0.838 -21.484 1.00 0.00 C ATOM 763 CD PRO A 49 8.274 -1.203 -20.050 1.00 0.00 C ATOM 0 HA PRO A 49 7.101 -3.748 -21.766 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.011 -2.240 -23.088 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.331 -1.763 -22.951 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.694 -0.639 -21.576 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.105 0.071 -21.786 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.145 -1.135 -19.399 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.519 -0.530 -19.644 1.00 0.00 H new ATOM 771 N ARG A 50 8.840 -5.330 -20.810 1.00 0.00 N ATOM 772 CA ARG A 50 9.838 -6.382 -20.714 1.00 0.00 C ATOM 773 C ARG A 50 10.653 -6.461 -22.006 1.00 0.00 C ATOM 774 O ARG A 50 10.210 -7.053 -22.989 1.00 0.00 O ATOM 775 CB ARG A 50 9.181 -7.740 -20.449 1.00 0.00 C ATOM 776 CG ARG A 50 10.088 -8.630 -19.598 1.00 0.00 C ATOM 777 CD ARG A 50 9.590 -8.696 -18.152 1.00 0.00 C ATOM 778 NE ARG A 50 9.872 -10.031 -17.580 1.00 0.00 N ATOM 779 CZ ARG A 50 11.088 -10.448 -17.207 1.00 0.00 C ATOM 780 NH1 ARG A 50 12.146 -9.635 -17.342 1.00 0.00 N ATOM 781 NH2 ARG A 50 11.249 -11.677 -16.698 1.00 0.00 N ATOM 0 H ARG A 50 7.941 -5.553 -20.382 1.00 0.00 H new ATOM 0 HA ARG A 50 10.497 -6.140 -19.880 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.228 -7.594 -19.941 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.965 -8.235 -21.396 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.120 -9.634 -20.022 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.107 -8.243 -19.618 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.078 -7.925 -17.555 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.519 -8.496 -18.118 1.00 0.00 H new ATOM 0 HE ARG A 50 9.090 -10.675 -17.462 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.024 -8.699 -17.729 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.073 -9.953 -17.058 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.445 -12.296 -16.595 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.176 -11.994 -16.414 1.00 0.00 H new ATOM 795 N PRO A 51 11.862 -5.839 -21.962 1.00 0.00 N ATOM 796 CA PRO A 51 12.743 -5.834 -23.117 1.00 0.00 C ATOM 797 C PRO A 51 13.412 -7.197 -23.302 1.00 0.00 C ATOM 798 O PRO A 51 14.634 -7.311 -23.210 1.00 0.00 O ATOM 799 CB PRO A 51 13.737 -4.716 -22.846 1.00 0.00 C ATOM 800 CG PRO A 51 13.666 -4.447 -21.353 1.00 0.00 C ATOM 801 CD PRO A 51 12.420 -5.129 -20.815 1.00 0.00 C ATOM 0 HA PRO A 51 12.211 -5.659 -24.052 1.00 0.00 H new ATOM 0 HB2 PRO A 51 14.744 -5.009 -23.142 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.484 -3.822 -23.416 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.556 -4.829 -20.854 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.628 -3.375 -21.160 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.663 -5.816 -20.004 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.712 -4.403 -20.416 1.00 0.00 H new ATOM 809 N GLN A 52 12.583 -8.198 -23.561 1.00 0.00 N ATOM 810 CA GLN A 52 13.079 -9.549 -23.761 1.00 0.00 C ATOM 811 C GLN A 52 12.322 -10.229 -24.904 1.00 0.00 C ATOM 812 O GLN A 52 11.230 -9.801 -25.271 1.00 0.00 O ATOM 813 CB GLN A 52 12.976 -10.367 -22.472 1.00 0.00 C ATOM 814 CG GLN A 52 14.311 -11.035 -22.139 1.00 0.00 C ATOM 815 CD GLN A 52 14.112 -12.511 -21.789 1.00 0.00 C ATOM 816 OE1 GLN A 52 13.824 -12.876 -20.661 1.00 0.00 O ATOM 817 NE2 GLN A 52 14.282 -13.338 -22.818 1.00 0.00 N ATOM 0 H GLN A 52 11.571 -8.100 -23.637 1.00 0.00 H new ATOM 0 HA GLN A 52 14.133 -9.492 -24.033 1.00 0.00 H new ATOM 0 HB2 GLN A 52 12.674 -9.719 -21.649 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.202 -11.127 -22.580 1.00 0.00 H new ATOM 0 HG2 GLN A 52 14.988 -10.947 -22.989 1.00 0.00 H new ATOM 0 HG3 GLN A 52 14.781 -10.519 -21.302 1.00 0.00 H new ATOM 0 HE21 GLN A 52 14.523 -12.966 -23.737 1.00 0.00 H new ATOM 0 HE22 GLN A 52 14.172 -14.344 -22.688 1.00 0.00 H new ATOM 826 N THR A 53 12.935 -11.276 -25.436 1.00 0.00 N ATOM 827 CA THR A 53 12.333 -12.019 -26.530 1.00 0.00 C ATOM 828 C THR A 53 12.018 -13.451 -26.092 1.00 0.00 C ATOM 829 O THR A 53 12.800 -14.070 -25.373 1.00 0.00 O ATOM 830 CB THR A 53 13.280 -11.944 -27.730 1.00 0.00 C ATOM 831 OG1 THR A 53 12.517 -12.478 -28.808 1.00 0.00 O ATOM 832 CG2 THR A 53 14.464 -12.904 -27.600 1.00 0.00 C ATOM 0 H THR A 53 13.842 -11.627 -25.130 1.00 0.00 H new ATOM 0 HA THR A 53 11.377 -11.585 -26.825 1.00 0.00 H new ATOM 0 HB THR A 53 13.649 -10.924 -27.839 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.055 -12.465 -29.627 1.00 0.00 H new ATOM 0 HG21 THR A 53 15.105 -12.812 -28.477 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.035 -12.658 -26.705 1.00 0.00 H new ATOM 0 HG23 THR A 53 14.096 -13.927 -27.526 1.00 0.00 H new ATOM 840 N SER A 54 10.870 -13.935 -26.545 1.00 0.00 N ATOM 841 CA SER A 54 10.442 -15.281 -26.209 1.00 0.00 C ATOM 842 C SER A 54 10.279 -15.417 -24.693 1.00 0.00 C ATOM 843 O SER A 54 10.803 -14.602 -23.935 1.00 0.00 O ATOM 844 CB SER A 54 11.435 -16.321 -26.731 1.00 0.00 C ATOM 845 OG SER A 54 10.829 -17.223 -27.654 1.00 0.00 O ATOM 0 H SER A 54 10.224 -13.418 -27.142 1.00 0.00 H new ATOM 0 HA SER A 54 9.480 -15.463 -26.689 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.270 -15.814 -27.215 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.846 -16.883 -25.892 1.00 0.00 H new ATOM 0 HG SER A 54 11.496 -17.870 -27.965 1.00 0.00 H new ATOM 851 N LEU A 55 9.551 -16.451 -24.299 1.00 0.00 N ATOM 852 CA LEU A 55 9.313 -16.703 -22.888 1.00 0.00 C ATOM 853 C LEU A 55 8.721 -15.448 -22.243 1.00 0.00 C ATOM 854 O LEU A 55 9.450 -14.513 -21.913 1.00 0.00 O ATOM 855 CB LEU A 55 10.591 -17.199 -22.209 1.00 0.00 C ATOM 856 CG LEU A 55 10.612 -18.679 -21.820 1.00 0.00 C ATOM 857 CD1 LEU A 55 11.404 -19.502 -22.837 1.00 0.00 C ATOM 858 CD2 LEU A 55 11.143 -18.864 -20.396 1.00 0.00 C ATOM 0 H LEU A 55 9.118 -17.124 -24.932 1.00 0.00 H new ATOM 0 HA LEU A 55 8.582 -17.502 -22.762 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.431 -17.007 -22.876 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.755 -16.605 -21.310 1.00 0.00 H new ATOM 0 HG LEU A 55 9.587 -19.050 -21.833 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.403 -20.550 -22.537 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.944 -19.406 -23.820 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.430 -19.138 -22.880 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.148 -19.925 -20.144 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.158 -18.471 -20.332 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.502 -18.328 -19.696 1.00 0.00 H new ATOM 870 N LEU A 56 7.407 -15.468 -22.083 1.00 0.00 N ATOM 871 CA LEU A 56 6.709 -14.343 -21.482 1.00 0.00 C ATOM 872 C LEU A 56 5.364 -14.818 -20.929 1.00 0.00 C ATOM 873 O LEU A 56 4.886 -15.892 -21.290 1.00 0.00 O ATOM 874 CB LEU A 56 6.590 -13.191 -22.483 1.00 0.00 C ATOM 875 CG LEU A 56 5.815 -13.495 -23.766 1.00 0.00 C ATOM 876 CD1 LEU A 56 4.314 -13.281 -23.564 1.00 0.00 C ATOM 877 CD2 LEU A 56 6.357 -12.678 -24.941 1.00 0.00 C ATOM 0 H LEU A 56 6.806 -16.245 -22.359 1.00 0.00 H new ATOM 0 HA LEU A 56 7.278 -13.947 -20.640 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.110 -12.350 -21.983 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.595 -12.868 -22.757 1.00 0.00 H new ATOM 0 HG LEU A 56 5.960 -14.547 -24.011 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.787 -13.504 -24.491 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.955 -13.942 -22.775 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.129 -12.245 -23.282 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.788 -12.913 -25.841 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.262 -11.615 -24.719 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.407 -12.923 -25.101 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P U B 517 0.240 1.222 -27.822 1.00 0.00 P ATOM 891 OP1 U B 517 0.305 0.035 -26.940 1.00 0.00 O ATOM 892 OP2 U B 517 0.601 1.036 -29.245 1.00 0.00 O ATOM 893 O5' U B 517 -1.250 1.803 -27.761 1.00 0.00 O ATOM 894 C5' U B 517 -1.654 2.825 -28.668 1.00 0.00 C ATOM 895 C4' U B 517 -2.619 2.264 -29.687 1.00 0.00 C ATOM 896 O4' U B 517 -2.620 0.835 -29.526 1.00 0.00 O ATOM 897 C3' U B 517 -4.090 2.535 -29.379 1.00 0.00 C ATOM 898 O3' U B 517 -4.506 3.718 -30.059 1.00 0.00 O ATOM 899 C2' U B 517 -4.829 1.325 -29.876 1.00 0.00 C ATOM 900 O2' U B 517 -4.896 1.551 -31.267 1.00 0.00 O ATOM 901 C1' U B 517 -3.881 0.212 -29.438 1.00 0.00 C ATOM 902 N1 U B 517 -4.141 -0.279 -28.068 1.00 0.00 N ATOM 903 C2 U B 517 -4.750 -1.492 -27.968 1.00 0.00 C ATOM 904 O2 U B 517 -5.076 -2.168 -28.930 1.00 0.00 O ATOM 905 N3 U B 517 -4.992 -1.951 -26.692 1.00 0.00 N ATOM 906 C4 U B 517 -4.657 -1.255 -25.558 1.00 0.00 C ATOM 907 O4 U B 517 -4.923 -1.763 -24.470 1.00 0.00 O ATOM 908 C5 U B 517 -4.026 0.006 -25.721 1.00 0.00 C ATOM 909 C6 U B 517 -3.799 0.431 -26.965 1.00 0.00 C ATOM 0 H5' U B 517 -0.781 3.240 -29.172 1.00 0.00 H new ATOM 0 H5'' U B 517 -2.125 3.642 -28.121 1.00 0.00 H new ATOM 0 H4' U B 517 -2.305 2.693 -30.639 1.00 0.00 H new ATOM 0 H3' U B 517 -4.279 2.696 -28.318 1.00 0.00 H new ATOM 0 H2' U B 517 -5.837 1.101 -29.528 1.00 0.00 H new ATOM 0 HO2' U B 517 -5.017 2.508 -31.437 1.00 0.00 H new ATOM 0 H1' U B 517 -3.985 -0.682 -30.053 1.00 0.00 H new ATOM 0 H3 U B 517 -5.445 -2.858 -26.584 1.00 0.00 H new ATOM 0 H5 U B 517 -3.739 0.601 -24.867 1.00 0.00 H new ATOM 0 H6 U B 517 -3.319 1.389 -27.100 1.00 0.00 H new ATOM 920 P U B 518 -4.327 5.146 -29.360 1.00 0.00 P ATOM 921 OP1 U B 518 -3.080 5.784 -29.840 1.00 0.00 O ATOM 922 OP2 U B 518 -4.505 5.010 -27.897 1.00 0.00 O ATOM 923 O5' U B 518 -5.563 5.984 -29.933 1.00 0.00 O ATOM 924 C5' U B 518 -6.259 6.897 -29.086 1.00 0.00 C ATOM 925 C4' U B 518 -7.543 6.270 -28.591 1.00 0.00 C ATOM 926 O4' U B 518 -7.653 4.918 -29.132 1.00 0.00 O ATOM 927 C3' U B 518 -7.463 5.705 -27.175 1.00 0.00 C ATOM 928 O3' U B 518 -7.568 6.769 -26.232 1.00 0.00 O ATOM 929 C2' U B 518 -8.621 4.752 -27.062 1.00 0.00 C ATOM 930 O2' U B 518 -9.659 5.581 -26.588 1.00 0.00 O ATOM 931 C1' U B 518 -8.756 4.296 -28.512 1.00 0.00 C ATOM 932 N1 U B 518 -8.704 2.828 -28.676 1.00 0.00 N ATOM 933 C2 U B 518 -9.626 2.281 -29.514 1.00 0.00 C ATOM 934 O2 U B 518 -10.466 2.932 -30.115 1.00 0.00 O ATOM 935 N3 U B 518 -9.578 0.914 -29.668 1.00 0.00 N ATOM 936 C4 U B 518 -8.669 0.108 -29.030 1.00 0.00 C ATOM 937 O4 U B 518 -8.719 -1.102 -29.243 1.00 0.00 O ATOM 938 C5 U B 518 -7.728 0.731 -28.166 1.00 0.00 C ATOM 939 C6 U B 518 -7.792 2.058 -28.033 1.00 0.00 C ATOM 0 H5' U B 518 -6.480 7.815 -29.631 1.00 0.00 H new ATOM 0 H5'' U B 518 -5.630 7.172 -28.240 1.00 0.00 H new ATOM 0 H4' U B 518 -8.275 7.051 -28.795 1.00 0.00 H new ATOM 0 H3' U B 518 -6.520 5.197 -26.974 1.00 0.00 H new ATOM 0 H2' U B 518 -8.570 3.880 -26.410 1.00 0.00 H new ATOM 0 HO2' U B 518 -9.490 5.814 -25.651 1.00 0.00 H new ATOM 0 H1' U B 518 -9.722 4.566 -28.938 1.00 0.00 H new ATOM 0 H3 U B 518 -10.256 0.476 -30.291 1.00 0.00 H new ATOM 0 H5 U B 518 -6.987 0.151 -27.636 1.00 0.00 H new ATOM 0 H6 U B 518 -7.081 2.543 -27.380 1.00 0.00 H new ATOM 950 P U B 519 -6.284 7.221 -25.390 1.00 0.00 P ATOM 951 OP1 U B 519 -5.890 8.593 -25.779 1.00 0.00 O ATOM 952 OP2 U B 519 -5.246 6.168 -25.460 1.00 0.00 O ATOM 953 O5' U B 519 -6.837 7.271 -23.891 1.00 0.00 O ATOM 954 C5' U B 519 -8.180 7.681 -23.639 1.00 0.00 C ATOM 955 C4' U B 519 -8.602 7.255 -22.251 1.00 0.00 C ATOM 956 O4' U B 519 -8.360 5.849 -22.067 1.00 0.00 O ATOM 957 C3' U B 519 -7.683 7.745 -21.135 1.00 0.00 C ATOM 958 O3' U B 519 -8.088 9.050 -20.725 1.00 0.00 O ATOM 959 C2' U B 519 -7.840 6.744 -20.023 1.00 0.00 C ATOM 960 O2' U B 519 -9.071 7.114 -19.444 1.00 0.00 O ATOM 961 C1' U B 519 -7.854 5.440 -20.817 1.00 0.00 C ATOM 962 N1 U B 519 -6.519 4.821 -20.956 1.00 0.00 N ATOM 963 C2 U B 519 -5.985 4.279 -19.828 1.00 0.00 C ATOM 964 O2 U B 519 -6.545 4.284 -18.743 1.00 0.00 O ATOM 965 N3 U B 519 -4.741 3.702 -19.956 1.00 0.00 N ATOM 966 C4 U B 519 -4.044 3.653 -21.137 1.00 0.00 C ATOM 967 O4 U B 519 -2.941 3.110 -21.135 1.00 0.00 O ATOM 968 C5 U B 519 -4.648 4.233 -22.283 1.00 0.00 C ATOM 969 C6 U B 519 -5.854 4.787 -22.137 1.00 0.00 C ATOM 0 H5' U B 519 -8.847 7.243 -24.381 1.00 0.00 H new ATOM 0 H5'' U B 519 -8.262 8.764 -23.736 1.00 0.00 H new ATOM 0 H4' U B 519 -9.627 7.621 -22.193 1.00 0.00 H new ATOM 0 H3' U B 519 -6.641 7.820 -21.446 1.00 0.00 H new ATOM 0 H2' U B 519 -7.105 6.674 -19.221 1.00 0.00 H new ATOM 0 HO2' U B 519 -9.341 7.993 -19.783 1.00 0.00 H new ATOM 0 H1' U B 519 -8.444 4.666 -20.325 1.00 0.00 H new ATOM 0 H3 U B 519 -4.314 3.288 -19.127 1.00 0.00 H new ATOM 0 H5 U B 519 -4.149 4.226 -23.241 1.00 0.00 H new ATOM 0 H6 U B 519 -6.323 5.230 -23.003 1.00 0.00 H new ATOM 980 P U B 520 -6.988 10.175 -20.438 1.00 0.00 P ATOM 981 OP1 U B 520 -5.662 9.705 -20.899 1.00 0.00 O ATOM 982 OP2 U B 520 -7.100 10.636 -19.037 1.00 0.00 O ATOM 983 O5' U B 520 -7.444 11.376 -21.392 1.00 0.00 O ATOM 984 C5' U B 520 -6.625 12.536 -21.521 1.00 0.00 C ATOM 985 C4' U B 520 -7.214 13.476 -22.547 1.00 0.00 C ATOM 986 O4' U B 520 -7.804 12.632 -23.582 1.00 0.00 O ATOM 987 C3' U B 520 -8.597 14.014 -22.192 1.00 0.00 C ATOM 988 O3' U B 520 -8.462 15.111 -21.292 1.00 0.00 O ATOM 989 C2' U B 520 -9.205 14.443 -23.499 1.00 0.00 C ATOM 990 O2' U B 520 -8.691 15.744 -23.666 1.00 0.00 O ATOM 991 C1' U B 520 -8.633 13.385 -24.438 1.00 0.00 C ATOM 992 N1 U B 520 -9.665 12.534 -25.067 1.00 0.00 N ATOM 993 C2 U B 520 -9.456 12.193 -26.367 1.00 0.00 C ATOM 994 O2 U B 520 -8.484 12.550 -27.014 1.00 0.00 O ATOM 995 N3 U B 520 -10.418 11.400 -26.954 1.00 0.00 N ATOM 996 C4 U B 520 -11.539 10.956 -26.300 1.00 0.00 C ATOM 997 O4 U B 520 -12.331 10.252 -26.925 1.00 0.00 O ATOM 998 C5 U B 520 -11.708 11.341 -24.944 1.00 0.00 C ATOM 999 C6 U B 520 -10.765 12.110 -24.395 1.00 0.00 C ATOM 0 H5' U B 520 -5.616 12.248 -21.817 1.00 0.00 H new ATOM 0 H5'' U B 520 -6.542 13.041 -20.559 1.00 0.00 H new ATOM 0 H4' U B 520 -6.422 14.205 -22.721 1.00 0.00 H new ATOM 0 H3' U B 520 -9.226 13.274 -21.697 1.00 0.00 H new ATOM 0 H2' U B 520 -10.286 14.495 -23.627 1.00 0.00 H new ATOM 0 HO2' U B 520 -8.443 16.112 -22.792 1.00 0.00 H new ATOM 0 H1' U B 520 -8.116 13.829 -25.288 1.00 0.00 H new ATOM 0 H3 U B 520 -10.289 11.128 -27.929 1.00 0.00 H new ATOM 0 H5 U B 520 -12.570 11.023 -24.376 1.00 0.00 H new ATOM 0 H6 U B 520 -10.884 12.410 -23.364 1.00 0.00 H new ATOM 1010 P G B 521 -8.893 14.947 -19.759 1.00 0.00 P ATOM 1011 OP1 G B 521 -9.223 16.273 -19.190 1.00 0.00 O ATOM 1012 OP2 G B 521 -7.890 14.127 -19.045 1.00 0.00 O ATOM 1013 O5' G B 521 -10.247 14.099 -19.855 1.00 0.00 O ATOM 1014 C5' G B 521 -11.506 14.768 -19.886 1.00 0.00 C ATOM 1015 C4' G B 521 -12.534 13.976 -19.111 1.00 0.00 C ATOM 1016 O4' G B 521 -12.757 12.702 -19.745 1.00 0.00 O ATOM 1017 C3' G B 521 -11.992 13.293 -17.859 1.00 0.00 C ATOM 1018 O3' G B 521 -11.866 14.254 -16.812 1.00 0.00 O ATOM 1019 C2' G B 521 -13.000 12.232 -17.516 1.00 0.00 C ATOM 1020 O2' G B 521 -13.975 12.952 -16.797 1.00 0.00 O ATOM 1021 C1' G B 521 -13.418 11.777 -18.912 1.00 0.00 C ATOM 1022 N9 G B 521 -13.013 10.391 -19.224 1.00 0.00 N ATOM 1023 C8 G B 521 -11.782 9.850 -19.109 1.00 0.00 C ATOM 1024 N7 G B 521 -11.746 8.572 -19.472 1.00 0.00 N ATOM 1025 C5 G B 521 -13.036 8.299 -19.839 1.00 0.00 C ATOM 1026 C6 G B 521 -13.642 7.117 -20.316 1.00 0.00 C ATOM 1027 O6 G B 521 -13.066 6.046 -20.500 1.00 0.00 O ATOM 1028 N1 G B 521 -14.972 7.165 -20.598 1.00 0.00 N ATOM 1029 C2 G B 521 -15.631 8.330 -20.405 1.00 0.00 C ATOM 1030 N2 G B 521 -16.918 8.216 -20.724 1.00 0.00 N ATOM 1031 N3 G B 521 -15.159 9.508 -19.958 1.00 0.00 N ATOM 1032 C4 G B 521 -13.827 9.394 -19.695 1.00 0.00 C ATOM 0 H5' G B 521 -11.835 14.894 -20.918 1.00 0.00 H new ATOM 0 H5'' G B 521 -11.407 15.766 -19.459 1.00 0.00 H new ATOM 0 H4' G B 521 -13.332 14.709 -18.991 1.00 0.00 H new ATOM 0 H3' G B 521 -11.005 12.856 -18.008 1.00 0.00 H new ATOM 0 H2' G B 521 -12.721 11.364 -16.919 1.00 0.00 H new ATOM 0 HO2' G B 521 -13.657 13.865 -16.639 1.00 0.00 H new ATOM 0 H1' G B 521 -14.501 11.760 -19.032 1.00 0.00 H new ATOM 0 H8 G B 521 -10.919 10.397 -18.759 1.00 0.00 H new ATOM 0 H1 G B 521 -15.461 6.341 -20.947 1.00 0.00 H new ATOM 0 H21 G B 521 -17.540 9.019 -20.628 1.00 0.00 H new ATOM 0 H22 G B 521 -17.282 7.326 -21.064 1.00 0.00 H new ATOM 1044 P C B 522 -10.567 14.253 -15.878 1.00 0.00 P ATOM 1045 OP1 C B 522 -9.600 15.260 -16.369 1.00 0.00 O ATOM 1046 OP2 C B 522 -10.080 12.867 -15.702 1.00 0.00 O ATOM 1047 O5' C B 522 -11.136 14.760 -14.471 1.00 0.00 O ATOM 1048 C5' C B 522 -12.284 14.135 -13.899 1.00 0.00 C ATOM 1049 C4' C B 522 -12.632 14.792 -12.583 1.00 0.00 C ATOM 1050 O4' C B 522 -14.080 14.824 -12.564 1.00 0.00 O ATOM 1051 C3' C B 522 -12.609 13.850 -11.383 1.00 0.00 C ATOM 1052 O3' C B 522 -11.276 13.744 -10.890 1.00 0.00 O ATOM 1053 C2' C B 522 -13.525 14.477 -10.369 1.00 0.00 C ATOM 1054 O2' C B 522 -12.697 15.440 -9.756 1.00 0.00 O ATOM 1055 C1' C B 522 -14.617 15.034 -11.278 1.00 0.00 C ATOM 1056 N1 C B 522 -15.918 14.351 -11.124 1.00 0.00 N ATOM 1057 C2 C B 522 -16.881 14.963 -10.323 1.00 0.00 C ATOM 1058 O2 C B 522 -16.605 16.039 -9.783 1.00 0.00 O ATOM 1059 N3 C B 522 -18.073 14.359 -10.168 1.00 0.00 N ATOM 1060 C4 C B 522 -18.351 13.210 -10.751 1.00 0.00 C ATOM 1061 N4 C B 522 -19.534 12.631 -10.585 1.00 0.00 N ATOM 1062 C5 C B 522 -17.370 12.555 -11.586 1.00 0.00 C ATOM 1063 C6 C B 522 -16.187 13.169 -11.731 1.00 0.00 C ATOM 0 H5' C B 522 -12.091 13.074 -13.744 1.00 0.00 H new ATOM 0 H5'' C B 522 -13.128 14.209 -14.585 1.00 0.00 H new ATOM 0 H4' C B 522 -11.989 15.670 -12.522 1.00 0.00 H new ATOM 0 H3' C B 522 -12.936 12.840 -11.629 1.00 0.00 H new ATOM 0 H2' C B 522 -13.980 13.880 -9.579 1.00 0.00 H new ATOM 0 HO2' C B 522 -11.786 15.361 -10.110 1.00 0.00 H new ATOM 0 H1' C B 522 -14.847 16.075 -11.051 1.00 0.00 H new ATOM 0 H41 C B 522 -19.735 11.742 -11.042 1.00 0.00 H new ATOM 0 H42 C B 522 -20.242 13.075 -10.000 1.00 0.00 H new ATOM 0 H5 C B 522 -17.580 11.613 -12.071 1.00 0.00 H new ATOM 0 H6 C B 522 -15.428 12.710 -12.348 1.00 0.00 H new ATOM 1075 P U B 523 -10.624 12.303 -10.649 1.00 0.00 P ATOM 1076 OP1 U B 523 -10.173 11.738 -11.941 1.00 0.00 O ATOM 1077 OP2 U B 523 -11.532 11.476 -9.823 1.00 0.00 O ATOM 1078 O5' U B 523 -9.327 12.636 -9.774 1.00 0.00 O ATOM 1079 C5' U B 523 -8.272 13.419 -10.331 1.00 0.00 C ATOM 1080 C4' U B 523 -7.036 13.317 -9.468 1.00 0.00 C ATOM 1081 O4' U B 523 -7.136 14.318 -8.392 1.00 0.00 O ATOM 1082 C3' U B 523 -6.890 11.988 -8.730 1.00 0.00 C ATOM 1083 O3' U B 523 -5.722 11.305 -9.212 1.00 0.00 O ATOM 1084 C2' U B 523 -6.759 12.352 -7.278 1.00 0.00 C ATOM 1085 O2' U B 523 -5.366 12.508 -7.122 1.00 0.00 O ATOM 1086 C1' U B 523 -7.573 13.642 -7.234 1.00 0.00 C ATOM 1087 N1 U B 523 -9.033 13.420 -7.265 1.00 0.00 N ATOM 1088 C2 U B 523 -9.770 14.345 -7.938 1.00 0.00 C ATOM 1089 O2 U B 523 -9.288 15.316 -8.499 1.00 0.00 O ATOM 1090 N3 U B 523 -11.131 14.139 -7.969 1.00 0.00 N ATOM 1091 C4 U B 523 -11.752 13.075 -7.364 1.00 0.00 C ATOM 1092 O4 U B 523 -12.975 12.992 -7.456 1.00 0.00 O ATOM 1093 C5 U B 523 -10.936 12.140 -6.675 1.00 0.00 C ATOM 1094 C6 U B 523 -9.620 12.358 -6.658 1.00 0.00 C ATOM 0 H5' U B 523 -8.585 14.460 -10.410 1.00 0.00 H new ATOM 0 H5'' U B 523 -8.049 13.076 -11.341 1.00 0.00 H new ATOM 0 H4' U B 523 -6.196 13.448 -10.151 1.00 0.00 H new ATOM 0 H3' U B 523 -7.736 11.318 -8.885 1.00 0.00 H new ATOM 0 H2' U B 523 -7.106 11.677 -6.496 1.00 0.00 H new ATOM 0 HO2' U B 523 -4.904 12.112 -7.890 1.00 0.00 H new ATOM 0 HO3' U B 523 -5.624 10.452 -8.740 1.00 0.00 H new ATOM 0 H1' U B 523 -7.418 14.192 -6.306 1.00 0.00 H new ATOM 0 H3 U B 523 -11.709 14.814 -8.469 1.00 0.00 H new ATOM 0 H5 U B 523 -11.366 11.281 -6.181 1.00 0.00 H new ATOM 0 H6 U B 523 -8.990 11.654 -6.135 1.00 0.00 H new TER 1105 U B 523 HETATM 1106 ZN ZN A 57 -14.058 -0.329 -23.004 1.00 0.00 ZN