USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 643 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 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 5 ASN : amide:sc= 0.949 K(o=0.88,f=-3.9!) USER MOD Set 1.2: B 212 G O2' : rot 180:sc= -0.0697 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0793 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 3 LYS NZ :NH3+ -140:sc= 0.958 (180deg=-0.945!) USER MOD Single : A 8 ASN : amide:sc= -13.5! C(o=-13!,f=-17!) USER MOD Single : A 9 GLN : amide:sc= 0.0984 X(o=0.098,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= 0.294 (180deg=-0.0807) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00126) USER MOD Single : A 17 ASN : amide:sc= -0.524 K(o=-0.52,f=-7.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -7.43! C(o=-7.4!,f=-6.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -159:sc=-0.00922 (180deg=-0.444) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= -0.0281 (180deg=-0.0393) USER MOD Single : A 45 GLN : amide:sc= -2.41! K(o=-2.4!,f=-0.76) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -121:sc= 1.08 (180deg=-1.1) USER MOD Single : A 50 THR OG1 : rot -20:sc= 0.663! USER MOD Single : A 53 GLN : amide:sc= -0.641 X(o=-0.64,f=-1) USER MOD Single : A 55 ASN : amide:sc= -0.355 K(o=-0.35,f=-1.9!) USER MOD Single : B 201 G O2' : rot -30:sc= 0.46 USER MOD Single : B 202 G O2' : rot -9:sc= 0.136 USER MOD Single : B 203 A O2' : rot 2:sc= -0.748 USER MOD Single : B 204 C O2' : rot -63:sc= 1.38 USER MOD Single : B 205 U O2' : rot -11:sc= 0.105 USER MOD Single : B 206 A O2' : rot 7:sc= -1.77 USER MOD Single : B 207 G O2' : rot -25:sc= 0.616 USER MOD Single : B 208 C O2' : rot -135:sc= 0.319 USER MOD Single : B 209 G O2' : rot -39:sc= 0.339 USER MOD Single : B 210 G O2' : rot 34:sc= 0.666 USER MOD Single : B 211 A O2' : rot -47:sc= 0.2 USER MOD Single : B 213 G O2' : rot -135:sc= 1.19 USER MOD Single : B 214 C O2' : rot 0:sc= 0.0357 USER MOD Single : B 215 U O2' : rot -131:sc= -1.02 USER MOD Single : B 216 A O2' : rot -137:sc= 1.15 USER MOD Single : B 217 G O2' : rot -23:sc= 0.574 USER MOD Single : B 218 U O2' : rot 8:sc= -0.941 USER MOD Single : B 219 C O2' : rot -24:sc= 0.591 USER MOD Single : B 220 C O2' : rot -20:sc= 0.405 USER MOD Single : B 220 C O3' : rot 180:sc= 0.363 USER MOD ----------------------------------------------------------------- ATOM 1 P G B 201 -1.012 -15.802 -11.310 1.00 0.00 P ATOM 2 OP1 G B 201 -1.889 -14.997 -10.431 1.00 0.00 O ATOM 3 OP2 G B 201 -0.466 -15.144 -12.518 1.00 0.00 O ATOM 4 O5' G B 201 0.220 -16.325 -10.432 1.00 0.00 O ATOM 5 C5' G B 201 0.091 -16.436 -9.017 1.00 0.00 C ATOM 6 C4' G B 201 0.553 -17.801 -8.558 1.00 0.00 C ATOM 7 O4' G B 201 0.685 -19.129 -8.980 1.00 0.00 O ATOM 8 C3' G B 201 1.719 -17.775 -7.574 1.00 0.00 C ATOM 9 O3' G B 201 1.496 -16.756 -6.602 1.00 0.00 O ATOM 10 C2' G B 201 1.742 -19.141 -6.948 1.00 0.00 C ATOM 11 O2' G B 201 0.728 -19.051 -5.972 1.00 0.00 O ATOM 12 C1' G B 201 1.411 -20.013 -8.156 1.00 0.00 C ATOM 13 N9 G B 201 2.607 -20.533 -8.852 1.00 0.00 N ATOM 14 C8 G B 201 3.516 -19.827 -9.558 1.00 0.00 C ATOM 15 N7 G B 201 4.478 -20.591 -10.063 1.00 0.00 N ATOM 16 C5 G B 201 4.149 -21.854 -9.647 1.00 0.00 C ATOM 17 C6 G B 201 4.776 -23.100 -9.856 1.00 0.00 C ATOM 18 O6 G B 201 5.808 -23.279 -10.500 1.00 0.00 O ATOM 19 N1 G B 201 4.190 -24.195 -9.300 1.00 0.00 N ATOM 20 C2 G B 201 3.055 -24.029 -8.586 1.00 0.00 C ATOM 21 N2 G B 201 2.608 -25.188 -8.109 1.00 0.00 N ATOM 22 N3 G B 201 2.376 -22.897 -8.324 1.00 0.00 N ATOM 23 C4 G B 201 3.010 -21.841 -8.906 1.00 0.00 C ATOM 0 H5' G B 201 -0.947 -16.278 -8.725 1.00 0.00 H new ATOM 0 H5'' G B 201 0.681 -15.661 -8.528 1.00 0.00 H new ATOM 0 H4' G B 201 -0.533 -17.744 -8.636 1.00 0.00 H new ATOM 0 H3' G B 201 2.673 -17.552 -8.052 1.00 0.00 H new ATOM 0 H2' G B 201 2.640 -19.520 -6.461 1.00 0.00 H new ATOM 0 HO2' G B 201 0.667 -18.128 -5.647 1.00 0.00 H new ATOM 0 H1' G B 201 0.867 -20.915 -7.875 1.00 0.00 H new ATOM 0 H8 G B 201 3.466 -18.757 -9.697 1.00 0.00 H new ATOM 0 H1 G B 201 4.599 -25.122 -9.420 1.00 0.00 H new ATOM 0 H21 G B 201 1.756 -25.214 -7.549 1.00 0.00 H new ATOM 0 H22 G B 201 3.117 -26.050 -8.304 1.00 0.00 H new ATOM 35 P G B 202 2.653 -15.703 -6.265 1.00 0.00 P ATOM 36 OP1 G B 202 2.054 -14.453 -5.748 1.00 0.00 O ATOM 37 OP2 G B 202 3.576 -15.593 -7.416 1.00 0.00 O ATOM 38 O5' G B 202 3.442 -16.408 -5.064 1.00 0.00 O ATOM 39 C5' G B 202 2.771 -16.682 -3.836 1.00 0.00 C ATOM 40 C4' G B 202 3.584 -17.652 -3.006 1.00 0.00 C ATOM 41 O4' G B 202 3.681 -18.805 -3.649 1.00 0.00 O ATOM 42 C3' G B 202 5.066 -17.302 -2.901 1.00 0.00 C ATOM 43 O3' G B 202 5.274 -16.451 -1.776 1.00 0.00 O ATOM 44 C2' G B 202 5.773 -18.619 -2.734 1.00 0.00 C ATOM 45 O2' G B 202 5.695 -18.838 -1.343 1.00 0.00 O ATOM 46 C1' G B 202 4.891 -19.525 -3.590 1.00 0.00 C ATOM 47 N9 G B 202 5.435 -19.767 -4.943 1.00 0.00 N ATOM 48 C8 G B 202 5.476 -18.901 -5.977 1.00 0.00 C ATOM 49 N7 G B 202 6.030 -19.426 -7.064 1.00 0.00 N ATOM 50 C5 G B 202 6.355 -20.701 -6.685 1.00 0.00 C ATOM 51 C6 G B 202 6.969 -21.758 -7.389 1.00 0.00 C ATOM 52 O6 G B 202 7.348 -21.711 -8.559 1.00 0.00 O ATOM 53 N1 G B 202 7.160 -22.929 -6.720 1.00 0.00 N ATOM 54 C2 G B 202 6.754 -23.010 -5.434 1.00 0.00 C ATOM 55 N2 G B 202 7.009 -24.211 -4.921 1.00 0.00 N ATOM 56 N3 G B 202 6.163 -22.073 -4.669 1.00 0.00 N ATOM 57 C4 G B 202 6.001 -20.931 -5.393 1.00 0.00 C ATOM 0 H5' G B 202 1.785 -17.100 -4.037 1.00 0.00 H new ATOM 0 H5'' G B 202 2.618 -15.756 -3.282 1.00 0.00 H new ATOM 0 H4' G B 202 3.077 -17.651 -2.041 1.00 0.00 H new ATOM 0 H3' G B 202 5.439 -16.768 -3.775 1.00 0.00 H new ATOM 0 H2' G B 202 6.815 -18.739 -3.031 1.00 0.00 H new ATOM 0 HO2' G B 202 5.355 -18.031 -0.903 1.00 0.00 H new ATOM 0 H1' G B 202 4.798 -20.526 -3.168 1.00 0.00 H new ATOM 0 H8 G B 202 5.099 -17.890 -5.926 1.00 0.00 H new ATOM 0 H1 G B 202 7.600 -23.727 -7.179 1.00 0.00 H new ATOM 0 H21 G B 202 6.756 -24.417 -3.955 1.00 0.00 H new ATOM 0 H22 G B 202 7.458 -24.926 -5.494 1.00 0.00 H new ATOM 69 P A B 203 6.707 -15.783 -1.533 1.00 0.00 P ATOM 70 OP1 A B 203 6.698 -15.035 -0.255 1.00 0.00 O ATOM 71 OP2 A B 203 7.130 -15.052 -2.749 1.00 0.00 O ATOM 72 O5' A B 203 7.669 -17.050 -1.358 1.00 0.00 O ATOM 73 C5' A B 203 8.071 -17.464 -0.055 1.00 0.00 C ATOM 74 C4' A B 203 9.474 -18.028 -0.098 1.00 0.00 C ATOM 75 O4' A B 203 9.297 -18.981 -1.052 1.00 0.00 O ATOM 76 C3' A B 203 10.474 -17.172 -0.871 1.00 0.00 C ATOM 77 O3' A B 203 11.212 -16.364 0.043 1.00 0.00 O ATOM 78 C2' A B 203 11.364 -18.150 -1.587 1.00 0.00 C ATOM 79 O2' A B 203 12.306 -18.495 -0.597 1.00 0.00 O ATOM 80 C1' A B 203 10.358 -19.241 -1.944 1.00 0.00 C ATOM 81 N9 A B 203 9.901 -19.186 -3.347 1.00 0.00 N ATOM 82 C8 A B 203 9.031 -18.310 -3.893 1.00 0.00 C ATOM 83 N7 A B 203 8.828 -18.528 -5.188 1.00 0.00 N ATOM 84 C5 A B 203 9.622 -19.608 -5.468 1.00 0.00 C ATOM 85 C6 A B 203 9.846 -20.318 -6.667 1.00 0.00 C ATOM 86 N6 A B 203 9.258 -20.024 -7.856 1.00 0.00 N ATOM 87 N1 A B 203 10.710 -21.368 -6.621 1.00 0.00 N ATOM 88 C2 A B 203 11.300 -21.667 -5.441 1.00 0.00 C ATOM 89 N3 A B 203 11.161 -21.064 -4.246 1.00 0.00 N ATOM 90 C4 A B 203 10.286 -20.026 -4.359 1.00 0.00 C ATOM 0 H5' A B 203 7.380 -18.216 0.325 1.00 0.00 H new ATOM 0 H5'' A B 203 8.032 -16.619 0.632 1.00 0.00 H new ATOM 0 H4' A B 203 9.820 -18.228 0.916 1.00 0.00 H new ATOM 0 H3' A B 203 9.996 -16.494 -1.578 1.00 0.00 H new ATOM 0 H2' A B 203 11.915 -17.857 -2.481 1.00 0.00 H new ATOM 0 HO2' A B 203 12.087 -18.032 0.239 1.00 0.00 H new ATOM 0 H1' A B 203 10.787 -20.239 -1.855 1.00 0.00 H new ATOM 0 H8 A B 203 8.552 -17.518 -3.337 1.00 0.00 H new ATOM 0 H61 A B 203 9.470 -20.584 -8.682 1.00 0.00 H new ATOM 0 H62 A B 203 8.605 -19.243 -7.923 1.00 0.00 H new ATOM 0 H2 A B 203 11.978 -22.508 -5.461 1.00 0.00 H new ATOM 102 P C B 204 11.822 -14.966 -0.438 1.00 0.00 P ATOM 103 OP1 C B 204 12.351 -14.224 0.729 1.00 0.00 O ATOM 104 OP2 C B 204 10.846 -14.268 -1.304 1.00 0.00 O ATOM 105 O5' C B 204 13.062 -15.407 -1.346 1.00 0.00 O ATOM 106 C5' C B 204 14.143 -16.139 -0.771 1.00 0.00 C ATOM 107 C4' C B 204 14.945 -16.821 -1.857 1.00 0.00 C ATOM 108 O4' C B 204 14.287 -17.714 -2.568 1.00 0.00 O ATOM 109 C3' C B 204 15.390 -15.897 -2.987 1.00 0.00 C ATOM 110 O3' C B 204 16.562 -15.190 -2.586 1.00 0.00 O ATOM 111 C2' C B 204 15.663 -16.802 -4.156 1.00 0.00 C ATOM 112 O2' C B 204 16.997 -17.200 -3.934 1.00 0.00 O ATOM 113 C1' C B 204 14.610 -17.884 -3.928 1.00 0.00 C ATOM 114 N1 C B 204 13.416 -17.732 -4.785 1.00 0.00 N ATOM 115 C2 C B 204 13.320 -18.546 -5.914 1.00 0.00 C ATOM 116 O2 C B 204 14.231 -19.348 -6.143 1.00 0.00 O ATOM 117 N3 C B 204 12.241 -18.426 -6.709 1.00 0.00 N ATOM 118 C4 C B 204 11.279 -17.563 -6.449 1.00 0.00 C ATOM 119 N4 C B 204 10.223 -17.460 -7.246 1.00 0.00 N ATOM 120 C5 C B 204 11.355 -16.709 -5.286 1.00 0.00 C ATOM 121 C6 C B 204 12.435 -16.840 -4.503 1.00 0.00 C ATOM 0 H5' C B 204 13.758 -16.881 -0.072 1.00 0.00 H new ATOM 0 H5'' C B 204 14.785 -15.467 -0.201 1.00 0.00 H new ATOM 0 H4' C B 204 15.748 -17.233 -1.246 1.00 0.00 H new ATOM 0 H3' C B 204 14.641 -15.148 -3.244 1.00 0.00 H new ATOM 0 H2' C B 204 15.592 -16.435 -5.180 1.00 0.00 H new ATOM 0 HO2' C B 204 17.583 -16.415 -3.970 1.00 0.00 H new ATOM 0 H1' C B 204 14.981 -18.878 -4.180 1.00 0.00 H new ATOM 0 H41 C B 204 9.486 -16.788 -7.032 1.00 0.00 H new ATOM 0 H42 C B 204 10.148 -18.053 -8.072 1.00 0.00 H new ATOM 0 H5 C B 204 10.576 -15.997 -5.058 1.00 0.00 H new ATOM 0 H6 C B 204 12.526 -16.219 -3.624 1.00 0.00 H new ATOM 133 P U B 205 16.601 -13.593 -2.670 1.00 0.00 P ATOM 134 OP1 U B 205 16.771 -13.026 -1.314 1.00 0.00 O ATOM 135 OP2 U B 205 15.457 -13.108 -3.474 1.00 0.00 O ATOM 136 O5' U B 205 17.941 -13.309 -3.497 1.00 0.00 O ATOM 137 C5' U B 205 19.097 -14.114 -3.280 1.00 0.00 C ATOM 138 C4' U B 205 19.601 -14.666 -4.595 1.00 0.00 C ATOM 139 O4' U B 205 18.420 -15.266 -5.045 1.00 0.00 O ATOM 140 C3' U B 205 19.622 -13.654 -5.736 1.00 0.00 C ATOM 141 O3' U B 205 20.903 -13.030 -5.795 1.00 0.00 O ATOM 142 C2' U B 205 19.339 -14.452 -6.979 1.00 0.00 C ATOM 143 O2' U B 205 20.611 -14.954 -7.321 1.00 0.00 O ATOM 144 C1' U B 205 18.352 -15.482 -6.436 1.00 0.00 C ATOM 145 N1 U B 205 16.974 -15.299 -6.939 1.00 0.00 N ATOM 146 C2 U B 205 16.607 -16.081 -7.990 1.00 0.00 C ATOM 147 O2 U B 205 17.345 -16.899 -8.517 1.00 0.00 O ATOM 148 N3 U B 205 15.324 -15.912 -8.460 1.00 0.00 N ATOM 149 C4 U B 205 14.431 -15.017 -7.927 1.00 0.00 C ATOM 150 O4 U B 205 13.310 -14.951 -8.427 1.00 0.00 O ATOM 151 C5 U B 205 14.866 -14.225 -6.832 1.00 0.00 C ATOM 152 C6 U B 205 16.114 -14.405 -6.392 1.00 0.00 C ATOM 0 H5' U B 205 18.857 -14.932 -2.601 1.00 0.00 H new ATOM 0 H5'' U B 205 19.878 -13.522 -2.802 1.00 0.00 H new ATOM 0 H4' U B 205 20.559 -15.160 -4.430 1.00 0.00 H new ATOM 0 H3' U B 205 18.889 -12.857 -5.610 1.00 0.00 H new ATOM 0 H2' U B 205 18.919 -13.979 -7.867 1.00 0.00 H new ATOM 0 HO2' U B 205 21.295 -14.508 -6.779 1.00 0.00 H new ATOM 0 H1' U B 205 18.605 -16.496 -6.746 1.00 0.00 H new ATOM 0 H3 U B 205 15.020 -16.484 -9.248 1.00 0.00 H new ATOM 0 H5 U B 205 14.210 -13.502 -6.371 1.00 0.00 H new ATOM 0 H6 U B 205 16.455 -13.809 -5.559 1.00 0.00 H new ATOM 163 P A B 206 21.030 -11.446 -5.614 1.00 0.00 P ATOM 164 OP1 A B 206 22.438 -11.088 -5.330 1.00 0.00 O ATOM 165 OP2 A B 206 20.000 -10.967 -4.666 1.00 0.00 O ATOM 166 O5' A B 206 20.662 -10.888 -7.068 1.00 0.00 O ATOM 167 C5' A B 206 20.940 -11.673 -8.224 1.00 0.00 C ATOM 168 C4' A B 206 19.809 -11.548 -9.221 1.00 0.00 C ATOM 169 O4' A B 206 18.743 -12.131 -9.346 1.00 0.00 O ATOM 170 C3' A B 206 19.397 -10.112 -9.530 1.00 0.00 C ATOM 171 O3' A B 206 20.513 -9.403 -10.065 1.00 0.00 O ATOM 172 C2' A B 206 18.284 -10.226 -10.535 1.00 0.00 C ATOM 173 O2' A B 206 18.961 -10.101 -11.765 1.00 0.00 O ATOM 174 C1' A B 206 17.757 -11.622 -10.217 1.00 0.00 C ATOM 175 N9 A B 206 16.427 -11.618 -9.572 1.00 0.00 N ATOM 176 C8 A B 206 16.146 -11.375 -8.275 1.00 0.00 C ATOM 177 N7 A B 206 14.846 -11.446 -8.009 1.00 0.00 N ATOM 178 C5 A B 206 14.280 -11.753 -9.218 1.00 0.00 C ATOM 179 C6 A B 206 12.936 -11.962 -9.596 1.00 0.00 C ATOM 180 N6 A B 206 11.879 -11.888 -8.747 1.00 0.00 N ATOM 181 N1 A B 206 12.691 -12.258 -10.901 1.00 0.00 N ATOM 182 C2 A B 206 13.738 -12.334 -11.752 1.00 0.00 C ATOM 183 N3 A B 206 15.049 -12.155 -11.505 1.00 0.00 N ATOM 184 C4 A B 206 15.227 -11.862 -10.187 1.00 0.00 C ATOM 0 H5' A B 206 21.072 -12.717 -7.941 1.00 0.00 H new ATOM 0 H5'' A B 206 21.875 -11.346 -8.679 1.00 0.00 H new ATOM 0 H4' A B 206 20.468 -12.184 -9.812 1.00 0.00 H new ATOM 0 H3' A B 206 19.069 -9.565 -8.646 1.00 0.00 H new ATOM 0 H2' A B 206 17.457 -9.516 -10.539 1.00 0.00 H new ATOM 0 HO2' A B 206 19.928 -10.100 -11.607 1.00 0.00 H new ATOM 0 H1' A B 206 17.603 -12.216 -11.118 1.00 0.00 H new ATOM 0 H8 A B 206 16.897 -11.147 -7.533 1.00 0.00 H new ATOM 0 H61 A B 206 10.934 -12.052 -9.094 1.00 0.00 H new ATOM 0 H62 A B 206 12.030 -11.669 -7.762 1.00 0.00 H new ATOM 0 H2 A B 206 13.487 -12.572 -12.775 1.00 0.00 H new ATOM 196 P G B 207 20.845 -7.926 -9.548 1.00 0.00 P ATOM 197 OP1 G B 207 22.266 -7.612 -9.814 1.00 0.00 O ATOM 198 OP2 G B 207 20.358 -7.763 -8.160 1.00 0.00 O ATOM 199 O5' G B 207 19.949 -7.003 -10.499 1.00 0.00 O ATOM 200 C5' G B 207 19.803 -7.330 -11.879 1.00 0.00 C ATOM 201 C4' G B 207 18.341 -7.312 -12.265 1.00 0.00 C ATOM 202 O4' G B 207 17.381 -8.114 -12.077 1.00 0.00 O ATOM 203 C3' G B 207 17.631 -5.991 -11.984 1.00 0.00 C ATOM 204 O3' G B 207 18.301 -4.937 -12.672 1.00 0.00 O ATOM 205 C2' G B 207 16.229 -6.178 -12.493 1.00 0.00 C ATOM 206 O2' G B 207 16.322 -5.735 -13.828 1.00 0.00 O ATOM 207 C1' G B 207 16.059 -7.684 -12.312 1.00 0.00 C ATOM 208 N9 G B 207 15.171 -8.046 -11.189 1.00 0.00 N ATOM 209 C8 G B 207 15.475 -8.058 -9.874 1.00 0.00 C ATOM 210 N7 G B 207 14.452 -8.433 -9.113 1.00 0.00 N ATOM 211 C5 G B 207 13.446 -8.670 -10.011 1.00 0.00 C ATOM 212 C6 G B 207 12.112 -9.095 -9.830 1.00 0.00 C ATOM 213 O6 G B 207 11.584 -9.343 -8.746 1.00 0.00 O ATOM 214 N1 G B 207 11.344 -9.242 -10.943 1.00 0.00 N ATOM 215 C2 G B 207 11.898 -8.975 -12.148 1.00 0.00 C ATOM 216 N2 G B 207 11.024 -9.166 -13.134 1.00 0.00 N ATOM 217 N3 G B 207 13.148 -8.568 -12.436 1.00 0.00 N ATOM 218 C4 G B 207 13.862 -8.441 -11.284 1.00 0.00 C ATOM 0 H5' G B 207 20.227 -8.315 -12.074 1.00 0.00 H new ATOM 0 H5'' G B 207 20.357 -6.618 -12.490 1.00 0.00 H new ATOM 0 H4' G B 207 18.755 -7.665 -13.210 1.00 0.00 H new ATOM 0 H3' G B 207 17.628 -5.727 -10.926 1.00 0.00 H new ATOM 0 H2' G B 207 15.390 -5.660 -12.030 1.00 0.00 H new ATOM 0 HO2' G B 207 17.070 -5.108 -13.913 1.00 0.00 H new ATOM 0 H1' G B 207 15.582 -8.150 -13.174 1.00 0.00 H new ATOM 0 H8 G B 207 16.445 -7.791 -9.482 1.00 0.00 H new ATOM 0 H1 G B 207 10.373 -9.546 -10.871 1.00 0.00 H new ATOM 0 H21 G B 207 11.303 -9.003 -14.101 1.00 0.00 H new ATOM 0 H22 G B 207 10.076 -9.476 -12.922 1.00 0.00 H new ATOM 230 P C B 208 18.935 -3.721 -11.847 1.00 0.00 P ATOM 231 OP1 C B 208 20.147 -3.227 -12.540 1.00 0.00 O ATOM 232 OP2 C B 208 19.070 -4.101 -10.423 1.00 0.00 O ATOM 233 O5' C B 208 17.810 -2.588 -11.951 1.00 0.00 O ATOM 234 C5' C B 208 17.709 -1.790 -13.129 1.00 0.00 C ATOM 235 C4' C B 208 16.315 -1.887 -13.704 1.00 0.00 C ATOM 236 O4' C B 208 15.681 -2.742 -13.568 1.00 0.00 O ATOM 237 C3' C B 208 15.460 -0.640 -13.498 1.00 0.00 C ATOM 238 O3' C B 208 15.565 0.203 -14.643 1.00 0.00 O ATOM 239 C2' C B 208 14.056 -1.147 -13.313 1.00 0.00 C ATOM 240 O2' C B 208 13.391 -0.638 -14.446 1.00 0.00 O ATOM 241 C1' C B 208 14.296 -2.654 -13.316 1.00 0.00 C ATOM 242 N1 C B 208 13.943 -3.309 -12.039 1.00 0.00 N ATOM 243 C2 C B 208 12.653 -3.825 -11.911 1.00 0.00 C ATOM 244 O2 C B 208 11.873 -3.711 -12.863 1.00 0.00 O ATOM 245 N3 C B 208 12.308 -4.427 -10.758 1.00 0.00 N ATOM 246 C4 C B 208 13.153 -4.540 -9.754 1.00 0.00 C ATOM 247 N4 C B 208 12.793 -5.137 -8.625 1.00 0.00 N ATOM 248 C5 C B 208 14.495 -4.014 -9.861 1.00 0.00 C ATOM 249 C6 C B 208 14.825 -3.418 -11.015 1.00 0.00 C ATOM 0 H5' C B 208 18.439 -2.123 -13.867 1.00 0.00 H new ATOM 0 H5'' C B 208 17.943 -0.751 -12.895 1.00 0.00 H new ATOM 0 H4' C B 208 16.678 -2.021 -14.723 1.00 0.00 H new ATOM 0 H3' C B 208 15.775 -0.047 -12.640 1.00 0.00 H new ATOM 0 H2' C B 208 13.471 -0.874 -12.435 1.00 0.00 H new ATOM 0 HO2' C B 208 12.526 -0.264 -14.177 1.00 0.00 H new ATOM 0 H1' C B 208 13.672 -3.167 -14.048 1.00 0.00 H new ATOM 0 H41 C B 208 13.458 -5.217 -7.856 1.00 0.00 H new ATOM 0 H42 C B 208 11.851 -5.516 -8.526 1.00 0.00 H new ATOM 0 H5 C B 208 15.200 -4.098 -9.047 1.00 0.00 H new ATOM 0 H6 C B 208 15.820 -3.014 -11.132 1.00 0.00 H new ATOM 261 P G B 209 15.109 1.734 -14.554 1.00 0.00 P ATOM 262 OP1 G B 209 16.114 2.593 -15.219 1.00 0.00 O ATOM 263 OP2 G B 209 14.742 2.065 -13.159 1.00 0.00 O ATOM 264 O5' G B 209 13.773 1.763 -15.435 1.00 0.00 O ATOM 265 C5' G B 209 12.742 2.702 -15.137 1.00 0.00 C ATOM 266 C4' G B 209 11.630 2.026 -14.369 1.00 0.00 C ATOM 267 O4' G B 209 11.768 1.049 -13.670 1.00 0.00 O ATOM 268 C3' G B 209 10.859 2.950 -13.431 1.00 0.00 C ATOM 269 O3' G B 209 10.059 3.846 -14.200 1.00 0.00 O ATOM 270 C2' G B 209 10.011 2.041 -12.585 1.00 0.00 C ATOM 271 O2' G B 209 8.768 2.066 -13.251 1.00 0.00 O ATOM 272 C1' G B 209 10.791 0.735 -12.703 1.00 0.00 C ATOM 273 N9 G B 209 11.415 0.304 -11.434 1.00 0.00 N ATOM 274 C8 G B 209 12.571 0.747 -10.898 1.00 0.00 C ATOM 275 N7 G B 209 12.859 0.158 -9.742 1.00 0.00 N ATOM 276 C5 G B 209 11.816 -0.707 -9.545 1.00 0.00 C ATOM 277 C6 G B 209 11.539 -1.614 -8.500 1.00 0.00 C ATOM 278 O6 G B 209 12.244 -1.798 -7.510 1.00 0.00 O ATOM 279 N1 G B 209 10.397 -2.348 -8.596 1.00 0.00 N ATOM 280 C2 G B 209 9.602 -2.168 -9.675 1.00 0.00 C ATOM 281 N2 G B 209 8.529 -2.955 -9.622 1.00 0.00 N ATOM 282 N3 G B 209 9.766 -1.338 -10.720 1.00 0.00 N ATOM 283 C4 G B 209 10.922 -0.634 -10.565 1.00 0.00 C ATOM 0 H5' G B 209 12.350 3.128 -16.060 1.00 0.00 H new ATOM 0 H5'' G B 209 13.149 3.527 -14.552 1.00 0.00 H new ATOM 0 H4' G B 209 11.163 1.694 -15.296 1.00 0.00 H new ATOM 0 H3' G B 209 11.511 3.563 -12.809 1.00 0.00 H new ATOM 0 H2' G B 209 9.828 2.262 -11.533 1.00 0.00 H new ATOM 0 HO2' G B 209 8.589 2.973 -13.575 1.00 0.00 H new ATOM 0 H1' G B 209 10.148 -0.104 -12.969 1.00 0.00 H new ATOM 0 H8 G B 209 13.195 1.499 -11.358 1.00 0.00 H new ATOM 0 H1 G B 209 10.146 -3.019 -7.870 1.00 0.00 H new ATOM 0 H21 G B 209 7.838 -2.927 -10.372 1.00 0.00 H new ATOM 0 H22 G B 209 8.398 -3.586 -8.831 1.00 0.00 H new ATOM 295 P G B 210 10.534 5.357 -14.419 1.00 0.00 P ATOM 296 OP1 G B 210 10.042 5.851 -15.724 1.00 0.00 O ATOM 297 OP2 G B 210 11.987 5.466 -14.152 1.00 0.00 O ATOM 298 O5' G B 210 9.760 6.149 -13.265 1.00 0.00 O ATOM 299 C5' G B 210 9.855 5.711 -11.912 1.00 0.00 C ATOM 300 C4' G B 210 8.537 5.926 -11.202 1.00 0.00 C ATOM 301 O4' G B 210 7.860 6.261 -10.094 1.00 0.00 O ATOM 302 C3' G B 210 7.322 5.961 -12.125 1.00 0.00 C ATOM 303 O3' G B 210 6.544 4.782 -11.927 1.00 0.00 O ATOM 304 C2' G B 210 6.561 7.196 -11.733 1.00 0.00 C ATOM 305 O2' G B 210 5.218 6.772 -11.813 1.00 0.00 O ATOM 306 C1' G B 210 7.094 7.423 -10.321 1.00 0.00 C ATOM 307 N9 G B 210 7.920 8.642 -10.192 1.00 0.00 N ATOM 308 C8 G B 210 9.045 8.946 -10.874 1.00 0.00 C ATOM 309 N7 G B 210 9.553 10.123 -10.525 1.00 0.00 N ATOM 310 C5 G B 210 8.694 10.581 -9.563 1.00 0.00 C ATOM 311 C6 G B 210 8.688 11.770 -8.804 1.00 0.00 C ATOM 312 O6 G B 210 9.522 12.671 -8.883 1.00 0.00 O ATOM 313 N1 G B 210 7.676 11.937 -7.910 1.00 0.00 N ATOM 314 C2 G B 210 6.743 10.964 -7.801 1.00 0.00 C ATOM 315 N2 G B 210 5.825 11.273 -6.889 1.00 0.00 N ATOM 316 N3 G B 210 6.651 9.798 -8.469 1.00 0.00 N ATOM 317 C4 G B 210 7.689 9.693 -9.344 1.00 0.00 C ATOM 0 H5' G B 210 10.646 6.258 -11.399 1.00 0.00 H new ATOM 0 H5'' G B 210 10.125 4.656 -11.881 1.00 0.00 H new ATOM 0 H4' G B 210 9.450 5.648 -10.675 1.00 0.00 H new ATOM 0 H3' G B 210 7.591 5.990 -13.181 1.00 0.00 H new ATOM 0 H2' G B 210 6.652 8.117 -12.308 1.00 0.00 H new ATOM 0 HO2' G B 210 5.158 5.827 -11.560 1.00 0.00 H new ATOM 0 H1' G B 210 6.292 7.581 -9.600 1.00 0.00 H new ATOM 0 H8 G B 210 9.484 8.302 -11.622 1.00 0.00 H new ATOM 0 H1 G B 210 7.622 12.778 -7.335 1.00 0.00 H new ATOM 0 H21 G B 210 5.057 10.629 -6.700 1.00 0.00 H new ATOM 0 H22 G B 210 5.889 12.154 -6.379 1.00 0.00 H new ATOM 329 P A B 211 6.175 3.849 -13.173 1.00 0.00 P ATOM 330 OP1 A B 211 7.311 3.809 -14.120 1.00 0.00 O ATOM 331 OP2 A B 211 4.851 4.237 -13.711 1.00 0.00 O ATOM 332 O5' A B 211 6.034 2.400 -12.509 1.00 0.00 O ATOM 333 C5' A B 211 6.785 2.075 -11.342 1.00 0.00 C ATOM 334 C4' A B 211 5.881 2.060 -10.129 1.00 0.00 C ATOM 335 O4' A B 211 5.702 2.637 -8.861 1.00 0.00 O ATOM 336 C3' A B 211 4.502 1.456 -10.379 1.00 0.00 C ATOM 337 O3' A B 211 4.496 0.096 -9.952 1.00 0.00 O ATOM 338 C2' A B 211 3.551 2.293 -9.569 1.00 0.00 C ATOM 339 O2' A B 211 2.459 1.421 -9.375 1.00 0.00 O ATOM 340 C1' A B 211 4.398 2.568 -8.329 1.00 0.00 C ATOM 341 N9 A B 211 4.037 3.821 -7.635 1.00 0.00 N ATOM 342 C8 A B 211 4.228 5.084 -8.071 1.00 0.00 C ATOM 343 N7 A B 211 3.790 5.996 -7.208 1.00 0.00 N ATOM 344 C5 A B 211 3.296 5.255 -6.168 1.00 0.00 C ATOM 345 C6 A B 211 2.696 5.637 -4.951 1.00 0.00 C ATOM 346 N6 A B 211 2.486 6.923 -4.567 1.00 0.00 N ATOM 347 N1 A B 211 2.303 4.644 -4.107 1.00 0.00 N ATOM 348 C2 A B 211 2.508 3.361 -4.481 1.00 0.00 C ATOM 349 N3 A B 211 3.066 2.885 -5.610 1.00 0.00 N ATOM 350 C4 A B 211 3.437 3.924 -6.407 1.00 0.00 C ATOM 0 H5' A B 211 7.584 2.802 -11.200 1.00 0.00 H new ATOM 0 H5'' A B 211 7.258 1.101 -11.464 1.00 0.00 H new ATOM 0 H4' A B 211 6.958 1.998 -9.973 1.00 0.00 H new ATOM 0 H3' A B 211 4.221 1.458 -11.432 1.00 0.00 H new ATOM 0 H2' A B 211 3.160 3.233 -9.958 1.00 0.00 H new ATOM 0 HO2' A B 211 2.218 1.003 -10.228 1.00 0.00 H new ATOM 0 H1' A B 211 4.264 1.804 -7.563 1.00 0.00 H new ATOM 0 H8 A B 211 4.687 5.327 -9.018 1.00 0.00 H new ATOM 0 H61 A B 211 2.045 7.122 -3.669 1.00 0.00 H new ATOM 0 H62 A B 211 2.770 7.690 -5.177 1.00 0.00 H new ATOM 0 H2 A B 211 2.178 2.613 -3.775 1.00 0.00 H new ATOM 362 P G B 212 3.621 -0.986 -10.743 1.00 0.00 P ATOM 363 OP1 G B 212 4.039 -1.023 -12.162 1.00 0.00 O ATOM 364 OP2 G B 212 2.185 -0.771 -10.458 1.00 0.00 O ATOM 365 O5' G B 212 4.058 -2.368 -10.062 1.00 0.00 O ATOM 366 C5' G B 212 3.835 -2.579 -8.670 1.00 0.00 C ATOM 367 C4' G B 212 5.043 -3.240 -8.045 1.00 0.00 C ATOM 368 O4' G B 212 5.697 -2.379 -7.848 1.00 0.00 O ATOM 369 C3' G B 212 4.773 -3.894 -6.692 1.00 0.00 C ATOM 370 O3' G B 212 4.902 -5.309 -6.814 1.00 0.00 O ATOM 371 C2' G B 212 5.809 -3.323 -5.763 1.00 0.00 C ATOM 372 O2' G B 212 6.584 -4.453 -5.432 1.00 0.00 O ATOM 373 C1' G B 212 6.486 -2.309 -6.681 1.00 0.00 C ATOM 374 N9 G B 212 6.507 -0.938 -6.130 1.00 0.00 N ATOM 375 C8 G B 212 5.445 -0.165 -5.819 1.00 0.00 C ATOM 376 N7 G B 212 5.800 1.024 -5.343 1.00 0.00 N ATOM 377 C5 G B 212 7.168 0.990 -5.358 1.00 0.00 C ATOM 378 C6 G B 212 8.132 1.948 -4.976 1.00 0.00 C ATOM 379 O6 G B 212 7.886 3.066 -4.526 1.00 0.00 O ATOM 380 N1 G B 212 9.443 1.607 -5.115 1.00 0.00 N ATOM 381 C2 G B 212 9.743 0.384 -5.606 1.00 0.00 C ATOM 382 N2 G B 212 11.059 0.202 -5.681 1.00 0.00 N ATOM 383 N3 G B 212 8.912 -0.601 -5.999 1.00 0.00 N ATOM 384 C4 G B 212 7.621 -0.198 -5.836 1.00 0.00 C ATOM 0 H5' G B 212 2.953 -3.204 -8.525 1.00 0.00 H new ATOM 0 H5'' G B 212 3.636 -1.627 -8.177 1.00 0.00 H new ATOM 0 H4' G B 212 5.422 -4.029 -8.694 1.00 0.00 H new ATOM 0 H3' G B 212 3.767 -3.700 -6.320 1.00 0.00 H new ATOM 0 H2' G B 212 5.521 -2.834 -4.832 1.00 0.00 H new ATOM 0 HO2' G B 212 7.303 -4.189 -4.820 1.00 0.00 H new ATOM 0 H1' G B 212 7.540 -2.537 -6.838 1.00 0.00 H new ATOM 0 H8 G B 212 4.419 -0.478 -5.943 1.00 0.00 H new ATOM 0 H1 G B 212 10.182 2.260 -4.854 1.00 0.00 H new ATOM 0 H21 G B 212 11.433 -0.679 -6.035 1.00 0.00 H new ATOM 0 H22 G B 212 11.694 0.943 -5.385 1.00 0.00 H new ATOM 396 P G B 213 3.789 -6.270 -6.187 1.00 0.00 P ATOM 397 OP1 G B 213 2.758 -5.459 -5.503 1.00 0.00 O ATOM 398 OP2 G B 213 4.442 -7.344 -5.405 1.00 0.00 O ATOM 399 O5' G B 213 3.119 -6.936 -7.478 1.00 0.00 O ATOM 400 C5' G B 213 2.406 -6.126 -8.410 1.00 0.00 C ATOM 401 C4' G B 213 3.108 -6.135 -9.750 1.00 0.00 C ATOM 402 O4' G B 213 3.792 -5.421 -10.425 1.00 0.00 O ATOM 403 C3' G B 213 3.069 -7.478 -10.472 1.00 0.00 C ATOM 404 O3' G B 213 1.793 -7.652 -11.085 1.00 0.00 O ATOM 405 C2' G B 213 4.168 -7.411 -11.495 1.00 0.00 C ATOM 406 O2' G B 213 3.459 -7.413 -12.713 1.00 0.00 O ATOM 407 C1' G B 213 4.823 -6.084 -11.121 1.00 0.00 C ATOM 408 N9 G B 213 6.025 -6.238 -10.275 1.00 0.00 N ATOM 409 C8 G B 213 6.070 -6.582 -8.970 1.00 0.00 C ATOM 410 N7 G B 213 7.311 -6.634 -8.497 1.00 0.00 N ATOM 411 C5 G B 213 8.088 -6.302 -9.574 1.00 0.00 C ATOM 412 C6 G B 213 9.487 -6.181 -9.715 1.00 0.00 C ATOM 413 O6 G B 213 10.312 -6.370 -8.824 1.00 0.00 O ATOM 414 N1 G B 213 9.964 -5.828 -10.940 1.00 0.00 N ATOM 415 C2 G B 213 9.080 -5.613 -11.940 1.00 0.00 C ATOM 416 N2 G B 213 9.698 -5.277 -13.069 1.00 0.00 N ATOM 417 N3 G B 213 7.736 -5.699 -11.918 1.00 0.00 N ATOM 418 C4 G B 213 7.324 -6.056 -10.670 1.00 0.00 C ATOM 0 H5' G B 213 2.334 -5.105 -8.035 1.00 0.00 H new ATOM 0 H5'' G B 213 1.387 -6.497 -8.522 1.00 0.00 H new ATOM 0 H4' G B 213 2.836 -5.208 -9.245 1.00 0.00 H new ATOM 0 H3' G B 213 3.214 -8.324 -9.801 1.00 0.00 H new ATOM 0 H2' G B 213 4.929 -8.189 -11.553 1.00 0.00 H new ATOM 0 HO2' G B 213 3.882 -8.040 -13.337 1.00 0.00 H new ATOM 0 H1' G B 213 5.193 -5.548 -11.995 1.00 0.00 H new ATOM 0 H8 G B 213 5.193 -6.792 -8.375 1.00 0.00 H new ATOM 0 H1 G B 213 10.966 -5.728 -11.100 1.00 0.00 H new ATOM 0 H21 G B 213 9.154 -5.085 -13.910 1.00 0.00 H new ATOM 0 H22 G B 213 10.716 -5.212 -13.093 1.00 0.00 H new ATOM 430 P C B 214 1.108 -9.097 -11.114 1.00 0.00 P ATOM 431 OP1 C B 214 0.005 -9.107 -12.101 1.00 0.00 O ATOM 432 OP2 C B 214 0.794 -9.527 -9.733 1.00 0.00 O ATOM 433 O5' C B 214 2.277 -10.037 -11.671 1.00 0.00 O ATOM 434 C5' C B 214 2.169 -10.617 -12.969 1.00 0.00 C ATOM 435 C4' C B 214 3.477 -10.473 -13.713 1.00 0.00 C ATOM 436 O4' C B 214 4.435 -9.501 -13.659 1.00 0.00 O ATOM 437 C3' C B 214 4.337 -11.734 -13.727 1.00 0.00 C ATOM 438 O3' C B 214 3.680 -12.746 -14.487 1.00 0.00 O ATOM 439 C2' C B 214 5.636 -11.322 -14.363 1.00 0.00 C ATOM 440 O2' C B 214 5.352 -11.421 -15.740 1.00 0.00 O ATOM 441 C1' C B 214 5.778 -9.901 -13.823 1.00 0.00 C ATOM 442 N1 C B 214 6.516 -9.828 -12.544 1.00 0.00 N ATOM 443 C2 C B 214 7.816 -9.323 -12.575 1.00 0.00 C ATOM 444 O2 C B 214 8.285 -8.963 -13.660 1.00 0.00 O ATOM 445 N3 C B 214 8.508 -9.246 -11.424 1.00 0.00 N ATOM 446 C4 C B 214 7.991 -9.633 -10.276 1.00 0.00 C ATOM 447 N4 C B 214 8.691 -9.550 -9.151 1.00 0.00 N ATOM 448 C5 C B 214 6.647 -10.160 -10.216 1.00 0.00 C ATOM 449 C6 C B 214 5.970 -10.231 -11.372 1.00 0.00 C ATOM 0 H5' C B 214 1.369 -10.131 -13.527 1.00 0.00 H new ATOM 0 H5'' C B 214 1.904 -11.671 -12.884 1.00 0.00 H new ATOM 0 H4' C B 214 2.846 -10.142 -14.538 1.00 0.00 H new ATOM 0 H3' C B 214 4.506 -12.145 -12.731 1.00 0.00 H new ATOM 0 H2' C B 214 6.555 -11.876 -14.174 1.00 0.00 H new ATOM 0 HO2' C B 214 4.426 -11.717 -15.863 1.00 0.00 H new ATOM 0 H1' C B 214 6.359 -9.265 -14.491 1.00 0.00 H new ATOM 0 H41 C B 214 8.277 -9.854 -8.269 1.00 0.00 H new ATOM 0 H42 C B 214 9.642 -9.183 -9.168 1.00 0.00 H new ATOM 0 H5 C B 214 6.208 -10.482 -9.283 1.00 0.00 H new ATOM 0 H6 C B 214 4.962 -10.620 -11.368 1.00 0.00 H new ATOM 461 P U B 215 3.746 -14.273 -14.010 1.00 0.00 P ATOM 462 OP1 U B 215 2.734 -15.067 -14.743 1.00 0.00 O ATOM 463 OP2 U B 215 3.722 -14.334 -12.532 1.00 0.00 O ATOM 464 O5' U B 215 5.194 -14.741 -14.503 1.00 0.00 O ATOM 465 C5' U B 215 5.586 -14.541 -15.860 1.00 0.00 C ATOM 466 C4' U B 215 7.061 -14.219 -15.933 1.00 0.00 C ATOM 467 O4' U B 215 7.683 -13.364 -15.700 1.00 0.00 O ATOM 468 C3' U B 215 7.972 -15.443 -15.960 1.00 0.00 C ATOM 469 O3' U B 215 8.117 -15.897 -17.305 1.00 0.00 O ATOM 470 C2' U B 215 9.284 -14.974 -15.392 1.00 0.00 C ATOM 471 O2' U B 215 10.193 -15.271 -16.427 1.00 0.00 O ATOM 472 C1' U B 215 8.989 -13.491 -15.184 1.00 0.00 C ATOM 473 N1 U B 215 9.046 -13.073 -13.767 1.00 0.00 N ATOM 474 C2 U B 215 10.205 -12.491 -13.356 1.00 0.00 C ATOM 475 O2 U B 215 11.167 -12.308 -14.085 1.00 0.00 O ATOM 476 N3 U B 215 10.261 -12.101 -12.036 1.00 0.00 N ATOM 477 C4 U B 215 9.226 -12.269 -11.151 1.00 0.00 C ATOM 478 O4 U B 215 9.387 -11.882 -9.995 1.00 0.00 O ATOM 479 C5 U B 215 8.039 -12.881 -11.632 1.00 0.00 C ATOM 480 C6 U B 215 8.007 -13.253 -12.914 1.00 0.00 C ATOM 0 H5' U B 215 5.006 -13.728 -16.298 1.00 0.00 H new ATOM 0 H5'' U B 215 5.372 -15.436 -16.444 1.00 0.00 H new ATOM 0 H4' U B 215 6.510 -13.584 -16.626 1.00 0.00 H new ATOM 0 H3' U B 215 7.576 -16.280 -15.384 1.00 0.00 H new ATOM 0 H2' U B 215 9.681 -15.398 -14.470 1.00 0.00 H new ATOM 0 HO2' U B 215 10.965 -15.748 -16.057 1.00 0.00 H new ATOM 0 H1' U B 215 9.728 -12.854 -15.670 1.00 0.00 H new ATOM 0 H3 U B 215 11.118 -11.664 -11.698 1.00 0.00 H new ATOM 0 H5 U B 215 7.191 -13.040 -10.983 1.00 0.00 H new ATOM 0 H6 U B 215 7.109 -13.720 -13.290 1.00 0.00 H new ATOM 491 P A B 216 8.181 -17.464 -17.618 1.00 0.00 P ATOM 492 OP1 A B 216 7.894 -17.699 -19.050 1.00 0.00 O ATOM 493 OP2 A B 216 7.366 -18.203 -16.628 1.00 0.00 O ATOM 494 O5' A B 216 9.719 -17.820 -17.356 1.00 0.00 O ATOM 495 C5' A B 216 10.728 -17.306 -18.223 1.00 0.00 C ATOM 496 C4' A B 216 12.097 -17.570 -17.641 1.00 0.00 C ATOM 497 O4' A B 216 11.861 -16.985 -16.495 1.00 0.00 O ATOM 498 C3' A B 216 12.280 -18.974 -17.073 1.00 0.00 C ATOM 499 O3' A B 216 12.960 -19.787 -18.027 1.00 0.00 O ATOM 500 C2' A B 216 13.096 -18.793 -15.822 1.00 0.00 C ATOM 501 O2' A B 216 14.412 -19.019 -16.274 1.00 0.00 O ATOM 502 C1' A B 216 12.761 -17.346 -15.472 1.00 0.00 C ATOM 503 N9 A B 216 12.145 -17.188 -14.138 1.00 0.00 N ATOM 504 C8 A B 216 10.840 -17.311 -13.819 1.00 0.00 C ATOM 505 N7 A B 216 10.607 -17.109 -12.527 1.00 0.00 N ATOM 506 C5 A B 216 11.846 -16.844 -12.006 1.00 0.00 C ATOM 507 C6 A B 216 12.263 -16.547 -10.692 1.00 0.00 C ATOM 508 N6 A B 216 11.433 -16.467 -9.620 1.00 0.00 N ATOM 509 N1 A B 216 13.592 -16.328 -10.492 1.00 0.00 N ATOM 510 C2 A B 216 14.425 -16.406 -11.553 1.00 0.00 C ATOM 511 N3 A B 216 14.138 -16.679 -12.840 1.00 0.00 N ATOM 512 C4 A B 216 12.800 -16.887 -12.972 1.00 0.00 C ATOM 0 H5' A B 216 10.585 -16.235 -18.365 1.00 0.00 H new ATOM 0 H5'' A B 216 10.646 -17.771 -19.205 1.00 0.00 H new ATOM 0 H4' A B 216 12.889 -17.325 -18.349 1.00 0.00 H new ATOM 0 H3' A B 216 11.334 -19.469 -16.852 1.00 0.00 H new ATOM 0 H2' A B 216 12.934 -19.425 -14.949 1.00 0.00 H new ATOM 0 HO2' A B 216 14.889 -19.578 -15.626 1.00 0.00 H new ATOM 0 H1' A B 216 13.653 -16.722 -15.416 1.00 0.00 H new ATOM 0 H8 A B 216 10.068 -17.548 -14.536 1.00 0.00 H new ATOM 0 H61 A B 216 11.810 -16.247 -8.698 1.00 0.00 H new ATOM 0 H62 A B 216 10.432 -16.627 -9.737 1.00 0.00 H new ATOM 0 H2 A B 216 15.468 -16.224 -11.339 1.00 0.00 H new ATOM 524 P G B 217 12.367 -21.218 -18.425 1.00 0.00 P ATOM 525 OP1 G B 217 12.888 -21.622 -19.751 1.00 0.00 O ATOM 526 OP2 G B 217 10.898 -21.218 -18.240 1.00 0.00 O ATOM 527 O5' G B 217 13.004 -22.190 -17.327 1.00 0.00 O ATOM 528 C5' G B 217 14.421 -22.275 -17.184 1.00 0.00 C ATOM 529 C4' G B 217 14.805 -22.121 -15.729 1.00 0.00 C ATOM 530 O4' G B 217 14.534 -21.110 -14.905 1.00 0.00 O ATOM 531 C3' G B 217 14.319 -23.250 -14.825 1.00 0.00 C ATOM 532 O3' G B 217 14.924 -24.476 -15.231 1.00 0.00 O ATOM 533 C2' G B 217 14.743 -22.857 -13.437 1.00 0.00 C ATOM 534 O2' G B 217 16.066 -23.339 -13.369 1.00 0.00 O ATOM 535 C1' G B 217 14.600 -21.340 -13.515 1.00 0.00 C ATOM 536 N9 G B 217 13.396 -20.825 -12.831 1.00 0.00 N ATOM 537 C8 G B 217 12.120 -20.870 -13.271 1.00 0.00 C ATOM 538 N7 G B 217 11.264 -20.318 -12.419 1.00 0.00 N ATOM 539 C5 G B 217 12.054 -19.902 -11.381 1.00 0.00 C ATOM 540 C6 G B 217 11.741 -19.246 -10.172 1.00 0.00 C ATOM 541 O6 G B 217 10.613 -18.908 -9.817 1.00 0.00 O ATOM 542 N1 G B 217 12.771 -18.962 -9.329 1.00 0.00 N ATOM 543 C2 G B 217 14.022 -19.321 -9.694 1.00 0.00 C ATOM 544 N2 G B 217 14.914 -18.977 -8.769 1.00 0.00 N ATOM 545 N3 G B 217 14.433 -19.946 -10.813 1.00 0.00 N ATOM 546 C4 G B 217 13.359 -20.201 -11.612 1.00 0.00 C ATOM 0 H5' G B 217 14.902 -21.499 -17.780 1.00 0.00 H new ATOM 0 H5'' G B 217 14.776 -23.233 -17.563 1.00 0.00 H new ATOM 0 H4' G B 217 15.837 -22.011 -16.061 1.00 0.00 H new ATOM 0 H3' G B 217 13.240 -23.399 -14.873 1.00 0.00 H new ATOM 0 H2' G B 217 14.211 -23.227 -12.561 1.00 0.00 H new ATOM 0 HO2' G B 217 16.185 -24.061 -14.021 1.00 0.00 H new ATOM 0 H1' G B 217 15.419 -20.825 -13.012 1.00 0.00 H new ATOM 0 H8 G B 217 11.827 -21.308 -14.214 1.00 0.00 H new ATOM 0 H1 G B 217 12.603 -18.489 -8.441 1.00 0.00 H new ATOM 0 H21 G B 217 15.902 -19.186 -8.911 1.00 0.00 H new ATOM 0 H22 G B 217 14.610 -18.504 -7.918 1.00 0.00 H new ATOM 558 P U B 218 14.123 -25.853 -15.076 1.00 0.00 P ATOM 559 OP1 U B 218 14.880 -26.945 -15.729 1.00 0.00 O ATOM 560 OP2 U B 218 12.715 -25.658 -15.484 1.00 0.00 O ATOM 561 O5' U B 218 14.150 -26.109 -13.497 1.00 0.00 O ATOM 562 C5' U B 218 15.174 -26.919 -12.923 1.00 0.00 C ATOM 563 C4' U B 218 15.042 -26.934 -11.417 1.00 0.00 C ATOM 564 O4' U B 218 14.701 -25.609 -11.114 1.00 0.00 O ATOM 565 C3' U B 218 13.714 -27.488 -10.907 1.00 0.00 C ATOM 566 O3' U B 218 13.818 -28.901 -10.753 1.00 0.00 O ATOM 567 C2' U B 218 13.480 -26.805 -9.588 1.00 0.00 C ATOM 568 O2' U B 218 14.241 -27.586 -8.694 1.00 0.00 O ATOM 569 C1' U B 218 14.040 -25.416 -9.884 1.00 0.00 C ATOM 570 N1 U B 218 12.999 -24.373 -9.994 1.00 0.00 N ATOM 571 C2 U B 218 12.757 -23.641 -8.873 1.00 0.00 C ATOM 572 O2 U B 218 13.345 -23.807 -7.816 1.00 0.00 O ATOM 573 N3 U B 218 11.787 -22.668 -8.974 1.00 0.00 N ATOM 574 C4 U B 218 11.080 -22.417 -10.123 1.00 0.00 C ATOM 575 O4 U B 218 10.237 -21.522 -10.098 1.00 0.00 O ATOM 576 C5 U B 218 11.373 -23.210 -11.263 1.00 0.00 C ATOM 577 C6 U B 218 12.315 -24.147 -11.144 1.00 0.00 C ATOM 0 H5' U B 218 16.154 -26.535 -13.206 1.00 0.00 H new ATOM 0 H5'' U B 218 15.106 -27.935 -13.312 1.00 0.00 H new ATOM 0 H4' U B 218 15.925 -27.444 -11.033 1.00 0.00 H new ATOM 0 H3' U B 218 12.886 -27.305 -11.592 1.00 0.00 H new ATOM 0 H2' U B 218 12.476 -26.712 -9.175 1.00 0.00 H new ATOM 0 HO2' U B 218 14.774 -28.235 -9.199 1.00 0.00 H new ATOM 0 H1' U B 218 14.682 -25.053 -9.081 1.00 0.00 H new ATOM 0 H3 U B 218 11.583 -22.103 -8.149 1.00 0.00 H new ATOM 0 H5 U B 218 10.850 -23.060 -12.196 1.00 0.00 H new ATOM 0 H6 U B 218 12.545 -24.756 -12.006 1.00 0.00 H new ATOM 588 P C B 219 12.620 -29.849 -11.232 1.00 0.00 P ATOM 589 OP1 C B 219 13.167 -31.131 -11.728 1.00 0.00 O ATOM 590 OP2 C B 219 11.720 -29.096 -12.134 1.00 0.00 O ATOM 591 O5' C B 219 11.828 -30.141 -9.874 1.00 0.00 O ATOM 592 C5' C B 219 12.533 -30.200 -8.635 1.00 0.00 C ATOM 593 C4' C B 219 11.692 -29.603 -7.530 1.00 0.00 C ATOM 594 O4' C B 219 11.660 -28.328 -7.214 1.00 0.00 O ATOM 595 C3' C B 219 10.203 -29.919 -7.628 1.00 0.00 C ATOM 596 O3' C B 219 9.984 -31.281 -7.265 1.00 0.00 O ATOM 597 C2' C B 219 9.532 -28.978 -6.667 1.00 0.00 C ATOM 598 O2' C B 219 9.605 -29.678 -5.445 1.00 0.00 O ATOM 599 C1' C B 219 10.444 -27.759 -6.780 1.00 0.00 C ATOM 600 N1 C B 219 9.958 -26.745 -7.738 1.00 0.00 N ATOM 601 C2 C B 219 9.368 -25.593 -7.219 1.00 0.00 C ATOM 602 O2 C B 219 9.281 -25.475 -5.991 1.00 0.00 O ATOM 603 N3 C B 219 8.917 -24.656 -8.071 1.00 0.00 N ATOM 604 C4 C B 219 9.019 -24.798 -9.378 1.00 0.00 C ATOM 605 N4 C B 219 8.567 -23.861 -10.203 1.00 0.00 N ATOM 606 C5 C B 219 9.625 -25.981 -9.941 1.00 0.00 C ATOM 607 C6 C B 219 10.070 -26.908 -9.079 1.00 0.00 C ATOM 0 H5' C B 219 13.476 -29.659 -8.718 1.00 0.00 H new ATOM 0 H5'' C B 219 12.779 -31.235 -8.397 1.00 0.00 H new ATOM 0 H4' C B 219 12.297 -30.104 -6.774 1.00 0.00 H new ATOM 0 H3' C B 219 9.807 -29.791 -8.636 1.00 0.00 H new ATOM 0 H2' C B 219 8.496 -28.672 -6.812 1.00 0.00 H new ATOM 0 HO2' C B 219 9.691 -30.638 -5.623 1.00 0.00 H new ATOM 0 H1' C B 219 10.513 -27.210 -5.841 1.00 0.00 H new ATOM 0 H41 C B 219 8.653 -23.985 -11.212 1.00 0.00 H new ATOM 0 H42 C B 219 8.134 -23.017 -9.828 1.00 0.00 H new ATOM 0 H5 C B 219 9.716 -26.114 -11.009 1.00 0.00 H new ATOM 0 H6 C B 219 10.529 -27.807 -9.463 1.00 0.00 H new ATOM 619 P C B 220 9.326 -32.293 -8.316 1.00 0.00 P ATOM 620 OP1 C B 220 9.725 -33.680 -7.990 1.00 0.00 O ATOM 621 OP2 C B 220 9.582 -31.816 -9.694 1.00 0.00 O ATOM 622 O5' C B 220 7.760 -32.147 -8.025 1.00 0.00 O ATOM 623 C5' C B 220 7.221 -32.595 -6.784 1.00 0.00 C ATOM 624 C4' C B 220 5.752 -32.243 -6.697 1.00 0.00 C ATOM 625 O4' C B 220 5.718 -30.854 -6.526 1.00 0.00 O ATOM 626 C3' C B 220 5.015 -32.282 -8.033 1.00 0.00 C ATOM 627 O3' C B 220 4.456 -33.589 -8.228 1.00 0.00 O ATOM 628 C2' C B 220 3.944 -31.233 -7.925 1.00 0.00 C ATOM 629 O2' C B 220 2.940 -31.890 -7.186 1.00 0.00 O ATOM 630 C1' C B 220 4.696 -30.135 -7.178 1.00 0.00 C ATOM 631 N1 C B 220 5.256 -29.095 -8.066 1.00 0.00 N ATOM 632 C2 C B 220 4.593 -27.870 -8.129 1.00 0.00 C ATOM 633 O2 C B 220 3.576 -27.712 -7.447 1.00 0.00 O ATOM 634 N3 C B 220 5.085 -26.909 -8.931 1.00 0.00 N ATOM 635 C4 C B 220 6.172 -27.094 -9.653 1.00 0.00 C ATOM 636 N4 C B 220 6.642 -26.133 -10.438 1.00 0.00 N ATOM 637 C5 C B 220 6.879 -28.354 -9.605 1.00 0.00 C ATOM 638 C6 C B 220 6.376 -29.303 -8.801 1.00 0.00 C ATOM 0 H5' C B 220 7.762 -32.136 -5.957 1.00 0.00 H new ATOM 0 H5'' C B 220 7.351 -33.673 -6.691 1.00 0.00 H new ATOM 0 H4' C B 220 5.326 -32.917 -5.953 1.00 0.00 H new ATOM 0 H3' C B 220 5.666 -32.085 -8.885 1.00 0.00 H new ATOM 0 H2' C B 220 3.478 -30.812 -8.816 1.00 0.00 H new ATOM 0 HO2' C B 220 3.067 -32.860 -7.252 1.00 0.00 H new ATOM 0 HO3' C B 220 3.980 -33.617 -9.084 1.00 0.00 H new ATOM 0 H1' C B 220 4.044 -29.574 -6.508 1.00 0.00 H new ATOM 0 H41 C B 220 7.485 -26.292 -10.990 1.00 0.00 H new ATOM 0 H42 C B 220 6.161 -25.235 -10.489 1.00 0.00 H new ATOM 0 H5 C B 220 7.771 -28.524 -10.190 1.00 0.00 H new ATOM 0 H6 C B 220 6.877 -30.258 -8.738 1.00 0.00 H new TER 650 C B 220 ATOM 651 N MET A 1 3.683 -16.052 0.710 1.00 0.00 N ATOM 652 CA MET A 1 3.889 -15.949 2.144 1.00 0.00 C ATOM 653 C MET A 1 3.293 -14.652 2.693 1.00 0.00 C ATOM 654 O MET A 1 2.356 -14.682 3.489 1.00 0.00 O ATOM 655 CB MET A 1 5.388 -15.991 2.449 1.00 0.00 C ATOM 656 CG MET A 1 5.722 -17.136 3.408 1.00 0.00 C ATOM 657 SD MET A 1 5.887 -18.664 2.501 1.00 0.00 S ATOM 658 CE MET A 1 4.597 -19.626 3.272 1.00 0.00 C ATOM 0 H1 MET A 1 4.510 -16.507 0.272 1.00 0.00 H new ATOM 0 H2 MET A 1 2.834 -16.622 0.521 1.00 0.00 H new ATOM 0 H3 MET A 1 3.558 -15.101 0.308 1.00 0.00 H new ATOM 0 HA MET A 1 3.387 -16.789 2.625 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.948 -16.114 1.522 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.700 -15.043 2.887 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.648 -16.917 3.940 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.938 -17.232 4.159 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.563 -20.617 2.820 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.802 -19.721 4.338 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.638 -19.129 3.129 1.00 0.00 H new ATOM 668 N GLN A 2 3.861 -13.541 2.245 1.00 0.00 N ATOM 669 CA GLN A 2 3.398 -12.235 2.682 1.00 0.00 C ATOM 670 C GLN A 2 3.980 -11.139 1.787 1.00 0.00 C ATOM 671 O GLN A 2 4.419 -10.100 2.277 1.00 0.00 O ATOM 672 CB GLN A 2 3.752 -11.990 4.149 1.00 0.00 C ATOM 673 CG GLN A 2 2.976 -10.795 4.708 1.00 0.00 C ATOM 674 CD GLN A 2 1.797 -11.260 5.567 1.00 0.00 C ATOM 675 OE1 GLN A 2 0.640 -11.090 5.222 1.00 0.00 O ATOM 676 NE2 GLN A 2 2.156 -11.854 6.702 1.00 0.00 N ATOM 0 H GLN A 2 4.637 -13.519 1.584 1.00 0.00 H new ATOM 0 HA GLN A 2 2.312 -12.209 2.596 1.00 0.00 H new ATOM 0 HB2 GLN A 2 3.526 -12.881 4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 2 4.823 -11.809 4.243 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.642 -10.171 5.305 1.00 0.00 H new ATOM 0 HG3 GLN A 2 2.611 -10.177 3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.144 -11.964 6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.443 -12.199 7.344 1.00 0.00 H new ATOM 685 N LYS A 3 3.964 -11.408 0.489 1.00 0.00 N ATOM 686 CA LYS A 3 4.485 -10.459 -0.479 1.00 0.00 C ATOM 687 C LYS A 3 6.011 -10.407 -0.367 1.00 0.00 C ATOM 688 O LYS A 3 6.578 -9.361 -0.055 1.00 0.00 O ATOM 689 CB LYS A 3 3.810 -9.096 -0.309 1.00 0.00 C ATOM 690 CG LYS A 3 2.702 -8.899 -1.346 1.00 0.00 C ATOM 691 CD LYS A 3 3.286 -8.792 -2.757 1.00 0.00 C ATOM 692 CE LYS A 3 2.303 -9.327 -3.799 1.00 0.00 C ATOM 693 NZ LYS A 3 2.911 -9.301 -5.148 1.00 0.00 N ATOM 0 H LYS A 3 3.598 -12.270 0.086 1.00 0.00 H new ATOM 0 HA LYS A 3 4.250 -10.782 -1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.392 -9.016 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.552 -8.304 -0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.003 -9.734 -1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.137 -7.997 -1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.525 -7.752 -2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.220 -9.352 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.013 -10.346 -3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.394 -8.726 -3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.200 -8.998 -5.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.709 -8.635 -5.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.252 -10.252 -5.394 1.00 0.00 H new ATOM 706 N GLY A 4 6.629 -11.550 -0.628 1.00 0.00 N ATOM 707 CA GLY A 4 8.077 -11.648 -0.560 1.00 0.00 C ATOM 708 C GLY A 4 8.739 -10.660 -1.524 1.00 0.00 C ATOM 709 O GLY A 4 9.936 -10.396 -1.421 1.00 0.00 O ATOM 0 H GLY A 4 6.154 -12.415 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.411 -11.448 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.388 -12.664 -0.804 1.00 0.00 H new ATOM 713 N ASN A 5 7.931 -10.141 -2.436 1.00 0.00 N ATOM 714 CA ASN A 5 8.424 -9.189 -3.416 1.00 0.00 C ATOM 715 C ASN A 5 9.089 -8.016 -2.692 1.00 0.00 C ATOM 716 O ASN A 5 9.889 -7.291 -3.282 1.00 0.00 O ATOM 717 CB ASN A 5 7.280 -8.631 -4.267 1.00 0.00 C ATOM 718 CG ASN A 5 7.787 -8.173 -5.635 1.00 0.00 C ATOM 719 OD1 ASN A 5 8.188 -8.963 -6.474 1.00 0.00 O ATOM 720 ND2 ASN A 5 7.746 -6.856 -5.814 1.00 0.00 N ATOM 0 H ASN A 5 6.938 -10.362 -2.517 1.00 0.00 H new ATOM 0 HA ASN A 5 9.134 -9.707 -4.061 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.513 -9.394 -4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.812 -7.793 -3.750 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.062 -6.451 -6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.399 -6.251 -5.070 1.00 0.00 H new ATOM 727 N PHE A 6 8.732 -7.866 -1.425 1.00 0.00 N ATOM 728 CA PHE A 6 9.285 -6.794 -0.615 1.00 0.00 C ATOM 729 C PHE A 6 10.810 -6.889 -0.545 1.00 0.00 C ATOM 730 O PHE A 6 11.477 -5.940 -0.134 1.00 0.00 O ATOM 731 CB PHE A 6 8.711 -6.957 0.795 1.00 0.00 C ATOM 732 CG PHE A 6 7.765 -5.830 1.216 1.00 0.00 C ATOM 733 CD1 PHE A 6 6.981 -5.219 0.288 1.00 0.00 C ATOM 734 CD2 PHE A 6 7.711 -5.440 2.517 1.00 0.00 C ATOM 735 CE1 PHE A 6 6.103 -4.174 0.680 1.00 0.00 C ATOM 736 CE2 PHE A 6 6.834 -4.394 2.908 1.00 0.00 C ATOM 737 CZ PHE A 6 6.048 -3.783 1.981 1.00 0.00 C ATOM 0 H PHE A 6 8.067 -8.468 -0.940 1.00 0.00 H new ATOM 0 HA PHE A 6 9.028 -5.829 -1.051 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.177 -7.906 0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 6 9.534 -7.012 1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.026 -5.528 -0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 6 8.335 -5.925 3.253 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.478 -3.689 -0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 6 6.791 -4.083 3.941 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.381 -2.988 2.278 1.00 0.00 H new ATOM 747 N ARG A 7 11.319 -8.042 -0.953 1.00 0.00 N ATOM 748 CA ARG A 7 12.753 -8.274 -0.942 1.00 0.00 C ATOM 749 C ARG A 7 13.464 -7.241 -1.817 1.00 0.00 C ATOM 750 O ARG A 7 14.687 -7.125 -1.779 1.00 0.00 O ATOM 751 CB ARG A 7 13.088 -9.678 -1.448 1.00 0.00 C ATOM 752 CG ARG A 7 12.638 -9.860 -2.899 1.00 0.00 C ATOM 753 CD ARG A 7 12.466 -11.342 -3.238 1.00 0.00 C ATOM 754 NE ARG A 7 11.056 -11.619 -3.595 1.00 0.00 N ATOM 755 CZ ARG A 7 10.664 -12.632 -4.397 1.00 0.00 C ATOM 756 NH1 ARG A 7 11.574 -13.474 -4.932 1.00 0.00 N ATOM 757 NH2 ARG A 7 9.378 -12.787 -4.650 1.00 0.00 N ATOM 0 H ARG A 7 10.763 -8.826 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 7 13.096 -8.180 0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 7 14.162 -9.849 -1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.602 -10.422 -0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.697 -9.335 -3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.371 -9.413 -3.570 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.120 -11.612 -4.067 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.761 -11.955 -2.387 1.00 0.00 H new ATOM 0 HE ARG A 7 10.336 -11.007 -3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.566 -13.347 -4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.269 -14.237 -5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.697 -12.147 -4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.065 -13.547 -5.254 1.00 0.00 H new ATOM 770 N ASN A 8 12.667 -6.515 -2.588 1.00 0.00 N ATOM 771 CA ASN A 8 13.204 -5.495 -3.471 1.00 0.00 C ATOM 772 C ASN A 8 14.064 -4.525 -2.659 1.00 0.00 C ATOM 773 O ASN A 8 14.893 -3.808 -3.218 1.00 0.00 O ATOM 774 CB ASN A 8 12.082 -4.693 -4.133 1.00 0.00 C ATOM 775 CG ASN A 8 11.206 -4.007 -3.083 1.00 0.00 C ATOM 776 OD1 ASN A 8 10.862 -4.572 -2.058 1.00 0.00 O ATOM 777 ND2 ASN A 8 10.864 -2.760 -3.394 1.00 0.00 N ATOM 0 H ASN A 8 11.652 -6.614 -2.619 1.00 0.00 H new ATOM 0 HA ASN A 8 13.794 -5.992 -4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.510 -3.945 -4.800 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.470 -5.355 -4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.280 -2.218 -2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.186 -2.346 -4.269 1.00 0.00 H new ATOM 784 N GLN A 9 13.838 -4.534 -1.354 1.00 0.00 N ATOM 785 CA GLN A 9 14.582 -3.663 -0.460 1.00 0.00 C ATOM 786 C GLN A 9 16.070 -4.020 -0.488 1.00 0.00 C ATOM 787 O GLN A 9 16.893 -3.306 0.082 1.00 0.00 O ATOM 788 CB GLN A 9 14.028 -3.737 0.964 1.00 0.00 C ATOM 789 CG GLN A 9 12.598 -3.194 1.025 1.00 0.00 C ATOM 790 CD GLN A 9 11.981 -3.426 2.405 1.00 0.00 C ATOM 791 OE1 GLN A 9 11.753 -2.507 3.175 1.00 0.00 O ATOM 792 NE2 GLN A 9 11.726 -4.703 2.674 1.00 0.00 N ATOM 0 H GLN A 9 13.150 -5.131 -0.894 1.00 0.00 H new ATOM 0 HA GLN A 9 14.468 -2.636 -0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 9 14.044 -4.770 1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.667 -3.165 1.637 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.600 -2.128 0.799 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.988 -3.680 0.264 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.942 -5.422 1.984 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.315 -4.963 3.570 1.00 0.00 H new ATOM 801 N ARG A 10 16.368 -5.124 -1.157 1.00 0.00 N ATOM 802 CA ARG A 10 17.742 -5.584 -1.267 1.00 0.00 C ATOM 803 C ARG A 10 18.500 -4.750 -2.302 1.00 0.00 C ATOM 804 O ARG A 10 19.702 -4.929 -2.489 1.00 0.00 O ATOM 805 CB ARG A 10 17.799 -7.058 -1.670 1.00 0.00 C ATOM 806 CG ARG A 10 17.393 -7.243 -3.134 1.00 0.00 C ATOM 807 CD ARG A 10 17.745 -8.648 -3.627 1.00 0.00 C ATOM 808 NE ARG A 10 19.203 -8.874 -3.517 1.00 0.00 N ATOM 809 CZ ARG A 10 20.113 -8.387 -4.388 1.00 0.00 C ATOM 810 NH1 ARG A 10 19.720 -7.642 -5.443 1.00 0.00 N ATOM 811 NH2 ARG A 10 21.391 -8.650 -4.192 1.00 0.00 N ATOM 0 H ARG A 10 15.682 -5.713 -1.628 1.00 0.00 H new ATOM 0 HA ARG A 10 18.209 -5.468 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.808 -7.442 -1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.137 -7.640 -1.029 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.322 -7.073 -3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.897 -6.500 -3.752 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.208 -9.393 -3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.427 -8.769 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 10 19.542 -9.433 -2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 10 18.730 -7.443 -5.587 1.00 0.00 H new ATOM 0 HH12 ARG A 10 20.413 -7.278 -6.097 1.00 0.00 H new ATOM 0 HH21 ARG A 10 21.679 -9.214 -3.392 1.00 0.00 H new ATOM 0 HH22 ARG A 10 22.091 -8.290 -4.840 1.00 0.00 H new ATOM 824 N LYS A 11 17.765 -3.856 -2.948 1.00 0.00 N ATOM 825 CA LYS A 11 18.353 -2.994 -3.959 1.00 0.00 C ATOM 826 C LYS A 11 18.060 -1.533 -3.611 1.00 0.00 C ATOM 827 O LYS A 11 17.767 -0.728 -4.494 1.00 0.00 O ATOM 828 CB LYS A 11 17.875 -3.402 -5.355 1.00 0.00 C ATOM 829 CG LYS A 11 18.522 -2.530 -6.432 1.00 0.00 C ATOM 830 CD LYS A 11 18.498 -3.232 -7.792 1.00 0.00 C ATOM 831 CE LYS A 11 17.236 -2.868 -8.575 1.00 0.00 C ATOM 832 NZ LYS A 11 17.344 -1.498 -9.125 1.00 0.00 N ATOM 0 H LYS A 11 16.768 -3.710 -2.791 1.00 0.00 H new ATOM 0 HA LYS A 11 19.437 -3.107 -3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 11 18.118 -4.449 -5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.790 -3.312 -5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 11 17.995 -1.579 -6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.551 -2.305 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.380 -2.950 -8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.543 -4.312 -7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.086 -3.581 -9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.364 -2.937 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.454 -0.986 -8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.125 -0.996 -8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.528 -1.548 -10.147 1.00 0.00 H new ATOM 845 N THR A 12 18.150 -1.236 -2.323 1.00 0.00 N ATOM 846 CA THR A 12 17.898 0.114 -1.847 1.00 0.00 C ATOM 847 C THR A 12 16.786 0.770 -2.668 1.00 0.00 C ATOM 848 O THR A 12 16.927 1.908 -3.114 1.00 0.00 O ATOM 849 CB THR A 12 19.220 0.884 -1.889 1.00 0.00 C ATOM 850 OG1 THR A 12 19.007 1.988 -1.014 1.00 0.00 O ATOM 851 CG2 THR A 12 19.475 1.534 -3.251 1.00 0.00 C ATOM 0 H THR A 12 18.394 -1.907 -1.594 1.00 0.00 H new ATOM 0 HA THR A 12 17.540 0.110 -0.818 1.00 0.00 H new ATOM 0 HB THR A 12 20.041 0.209 -1.648 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.816 2.540 -0.981 1.00 0.00 H new ATOM 0 HG21 THR A 12 20.425 2.068 -3.227 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.511 0.763 -4.021 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.671 2.235 -3.476 1.00 0.00 H new ATOM 859 N VAL A 13 15.705 0.024 -2.843 1.00 0.00 N ATOM 860 CA VAL A 13 14.569 0.518 -3.601 1.00 0.00 C ATOM 861 C VAL A 13 14.358 2.002 -3.288 1.00 0.00 C ATOM 862 O VAL A 13 14.740 2.474 -2.218 1.00 0.00 O ATOM 863 CB VAL A 13 13.334 -0.335 -3.311 1.00 0.00 C ATOM 864 CG1 VAL A 13 13.446 -1.708 -3.978 1.00 0.00 C ATOM 865 CG2 VAL A 13 13.105 -0.475 -1.805 1.00 0.00 C ATOM 0 H VAL A 13 15.592 -0.920 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 13 14.760 0.435 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 13 12.469 0.174 -3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.554 -2.294 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.538 -1.582 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.326 -2.227 -3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.220 -1.086 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.973 -0.950 -1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.958 0.512 -1.366 1.00 0.00 H new ATOM 875 N LYS A 14 13.751 2.694 -4.240 1.00 0.00 N ATOM 876 CA LYS A 14 13.485 4.114 -4.079 1.00 0.00 C ATOM 877 C LYS A 14 11.988 4.323 -3.839 1.00 0.00 C ATOM 878 O LYS A 14 11.157 3.681 -4.478 1.00 0.00 O ATOM 879 CB LYS A 14 14.033 4.900 -5.271 1.00 0.00 C ATOM 880 CG LYS A 14 13.069 4.838 -6.458 1.00 0.00 C ATOM 881 CD LYS A 14 13.832 4.696 -7.776 1.00 0.00 C ATOM 882 CE LYS A 14 13.866 6.023 -8.536 1.00 0.00 C ATOM 883 NZ LYS A 14 13.672 5.796 -9.986 1.00 0.00 N ATOM 0 H LYS A 14 13.436 2.299 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 14 14.006 4.503 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.195 5.939 -4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.002 4.496 -5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.388 3.996 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.458 5.740 -6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.850 4.361 -7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.360 3.932 -8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.087 6.685 -8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.820 6.523 -8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.681 6.709 -10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.440 5.196 -10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.759 5.324 -10.144 1.00 0.00 H new ATOM 896 N CYS A 15 11.690 5.226 -2.915 1.00 0.00 N ATOM 897 CA CYS A 15 10.308 5.528 -2.583 1.00 0.00 C ATOM 898 C CYS A 15 9.741 6.442 -3.672 1.00 0.00 C ATOM 899 O CYS A 15 10.180 7.581 -3.822 1.00 0.00 O ATOM 900 CB CYS A 15 10.185 6.154 -1.192 1.00 0.00 C ATOM 901 SG CYS A 15 8.420 6.380 -0.762 1.00 0.00 S ATOM 0 H CYS A 15 12.382 5.758 -2.387 1.00 0.00 H new ATOM 0 HA CYS A 15 9.730 4.605 -2.547 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.669 5.516 -0.453 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.699 7.115 -1.170 1.00 0.00 H new ATOM 906 N PHE A 16 8.774 5.908 -4.403 1.00 0.00 N ATOM 907 CA PHE A 16 8.143 6.661 -5.474 1.00 0.00 C ATOM 908 C PHE A 16 7.110 7.644 -4.917 1.00 0.00 C ATOM 909 O PHE A 16 6.349 8.244 -5.674 1.00 0.00 O ATOM 910 CB PHE A 16 7.432 5.648 -6.373 1.00 0.00 C ATOM 911 CG PHE A 16 8.359 4.928 -7.353 1.00 0.00 C ATOM 912 CD1 PHE A 16 9.283 5.634 -8.059 1.00 0.00 C ATOM 913 CD2 PHE A 16 8.260 3.581 -7.520 1.00 0.00 C ATOM 914 CE1 PHE A 16 10.144 4.966 -8.970 1.00 0.00 C ATOM 915 CE2 PHE A 16 9.122 2.913 -8.430 1.00 0.00 C ATOM 916 CZ PHE A 16 10.045 3.619 -9.136 1.00 0.00 C ATOM 0 H PHE A 16 8.412 4.963 -4.275 1.00 0.00 H new ATOM 0 HA PHE A 16 8.893 7.233 -6.020 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.936 4.907 -5.746 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.653 6.162 -6.936 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.362 6.703 -7.927 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.526 3.020 -6.961 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.877 5.527 -9.531 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.044 1.844 -8.561 1.00 0.00 H new ATOM 0 HZ PHE A 16 10.700 3.111 -9.829 1.00 0.00 H new ATOM 926 N ASN A 17 7.118 7.778 -3.599 1.00 0.00 N ATOM 927 CA ASN A 17 6.193 8.679 -2.933 1.00 0.00 C ATOM 928 C ASN A 17 6.936 9.946 -2.511 1.00 0.00 C ATOM 929 O ASN A 17 6.541 11.053 -2.875 1.00 0.00 O ATOM 930 CB ASN A 17 5.606 8.033 -1.676 1.00 0.00 C ATOM 931 CG ASN A 17 4.259 8.662 -1.314 1.00 0.00 C ATOM 932 OD1 ASN A 17 3.499 9.096 -2.165 1.00 0.00 O ATOM 933 ND2 ASN A 17 4.005 8.687 -0.009 1.00 0.00 N ATOM 0 H ASN A 17 7.750 7.278 -2.974 1.00 0.00 H new ATOM 0 HA ASN A 17 5.387 8.911 -3.630 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.480 6.963 -1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.301 8.150 -0.844 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.131 9.086 0.333 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.684 8.307 0.650 1.00 0.00 H new ATOM 940 N CYS A 18 8.001 9.744 -1.747 1.00 0.00 N ATOM 941 CA CYS A 18 8.803 10.858 -1.270 1.00 0.00 C ATOM 942 C CYS A 18 9.998 11.025 -2.211 1.00 0.00 C ATOM 943 O CYS A 18 10.364 12.146 -2.562 1.00 0.00 O ATOM 944 CB CYS A 18 9.242 10.658 0.182 1.00 0.00 C ATOM 945 SG CYS A 18 10.245 9.134 0.328 1.00 0.00 S ATOM 0 H CYS A 18 8.327 8.825 -1.447 1.00 0.00 H new ATOM 0 HA CYS A 18 8.206 11.770 -1.277 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.822 11.518 0.517 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.367 10.591 0.829 1.00 0.00 H new ATOM 950 N GLY A 19 10.574 9.894 -2.591 1.00 0.00 N ATOM 951 CA GLY A 19 11.721 9.901 -3.483 1.00 0.00 C ATOM 952 C GLY A 19 13.016 9.635 -2.714 1.00 0.00 C ATOM 953 O GLY A 19 14.078 10.131 -3.088 1.00 0.00 O ATOM 0 H GLY A 19 10.268 8.966 -2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.590 9.143 -4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.786 10.864 -3.990 1.00 0.00 H new ATOM 957 N LYS A 20 12.887 8.852 -1.653 1.00 0.00 N ATOM 958 CA LYS A 20 14.033 8.515 -0.827 1.00 0.00 C ATOM 959 C LYS A 20 14.318 7.016 -0.946 1.00 0.00 C ATOM 960 O LYS A 20 13.393 6.206 -0.982 1.00 0.00 O ATOM 961 CB LYS A 20 13.816 8.986 0.611 1.00 0.00 C ATOM 962 CG LYS A 20 14.778 10.123 0.968 1.00 0.00 C ATOM 963 CD LYS A 20 14.171 11.041 2.030 1.00 0.00 C ATOM 964 CE LYS A 20 15.072 11.122 3.264 1.00 0.00 C ATOM 965 NZ LYS A 20 16.082 12.192 3.100 1.00 0.00 N ATOM 0 H LYS A 20 12.005 8.441 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 20 14.922 9.039 -1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.787 9.323 0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.963 8.152 1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.717 9.708 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.012 10.700 0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.027 12.038 1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.187 10.670 2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.468 11.317 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.570 10.165 3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.685 12.233 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.670 11.990 2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.602 13.106 2.972 1.00 0.00 H new ATOM 978 N GLU A 21 15.602 6.693 -1.004 1.00 0.00 N ATOM 979 CA GLU A 21 16.019 5.306 -1.119 1.00 0.00 C ATOM 980 C GLU A 21 16.069 4.651 0.262 1.00 0.00 C ATOM 981 O GLU A 21 16.485 5.277 1.236 1.00 0.00 O ATOM 982 CB GLU A 21 17.371 5.197 -1.826 1.00 0.00 C ATOM 983 CG GLU A 21 17.190 5.049 -3.338 1.00 0.00 C ATOM 984 CD GLU A 21 18.217 5.888 -4.099 1.00 0.00 C ATOM 985 OE1 GLU A 21 17.922 7.029 -4.487 1.00 0.00 O ATOM 986 OE2 GLU A 21 19.359 5.317 -4.284 1.00 0.00 O ATOM 0 H GLU A 21 16.366 7.368 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 21 15.285 4.775 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.969 6.083 -1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 21 17.921 4.340 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.292 4.001 -3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.183 5.358 -3.619 1.00 0.00 H new ATOM 994 N GLY A 22 15.640 3.398 0.304 1.00 0.00 N ATOM 995 CA GLY A 22 15.629 2.651 1.551 1.00 0.00 C ATOM 996 C GLY A 22 14.253 2.037 1.811 1.00 0.00 C ATOM 997 O GLY A 22 14.140 1.027 2.503 1.00 0.00 O ATOM 0 H GLY A 22 15.297 2.881 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.381 1.863 1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.899 3.310 2.376 1.00 0.00 H new ATOM 1001 N HIS A 23 13.239 2.674 1.243 1.00 0.00 N ATOM 1002 CA HIS A 23 11.874 2.203 1.405 1.00 0.00 C ATOM 1003 C HIS A 23 11.057 2.563 0.164 1.00 0.00 C ATOM 1004 O HIS A 23 11.412 3.480 -0.575 1.00 0.00 O ATOM 1005 CB HIS A 23 11.261 2.748 2.697 1.00 0.00 C ATOM 1006 CG HIS A 23 10.805 4.185 2.602 1.00 0.00 C ATOM 1007 ND1 HIS A 23 11.616 5.252 2.945 1.00 0.00 N ATOM 1008 CD2 HIS A 23 9.616 4.716 2.199 1.00 0.00 C ATOM 1009 CE1 HIS A 23 10.934 6.373 2.754 1.00 0.00 C ATOM 1010 NE2 HIS A 23 9.695 6.039 2.292 1.00 0.00 N ATOM 0 H HIS A 23 13.336 3.512 0.670 1.00 0.00 H new ATOM 0 HA HIS A 23 11.869 1.117 1.499 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.411 2.125 2.974 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.994 2.662 3.499 1.00 0.00 H new ATOM 0 HD1 HIS A 23 12.575 5.187 3.287 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.756 4.156 1.862 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.296 7.375 2.933 1.00 0.00 H new ATOM 1018 N ILE A 24 9.976 1.821 -0.029 1.00 0.00 N ATOM 1019 CA ILE A 24 9.104 2.051 -1.169 1.00 0.00 C ATOM 1020 C ILE A 24 7.823 2.739 -0.695 1.00 0.00 C ATOM 1021 O ILE A 24 7.503 2.715 0.492 1.00 0.00 O ATOM 1022 CB ILE A 24 8.856 0.744 -1.925 1.00 0.00 C ATOM 1023 CG1 ILE A 24 7.926 -0.180 -1.134 1.00 0.00 C ATOM 1024 CG2 ILE A 24 10.176 0.058 -2.283 1.00 0.00 C ATOM 1025 CD1 ILE A 24 7.491 -1.376 -1.982 1.00 0.00 C ATOM 0 H ILE A 24 9.684 1.060 0.585 1.00 0.00 H new ATOM 0 HA ILE A 24 9.580 2.721 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 24 8.353 0.982 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.434 -0.532 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.048 0.376 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.971 -0.868 -2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.770 0.719 -2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.729 -0.166 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.831 -2.016 -1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.962 -1.022 -2.866 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.370 -1.944 -2.288 1.00 0.00 H new ATOM 1037 N ALA A 25 7.123 3.339 -1.649 1.00 0.00 N ATOM 1038 CA ALA A 25 5.884 4.033 -1.343 1.00 0.00 C ATOM 1039 C ALA A 25 5.000 3.133 -0.478 1.00 0.00 C ATOM 1040 O ALA A 25 4.295 3.617 0.408 1.00 0.00 O ATOM 1041 CB ALA A 25 5.197 4.446 -2.646 1.00 0.00 C ATOM 0 H ALA A 25 7.391 3.358 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 25 6.083 4.942 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.267 4.967 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.854 5.108 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.979 3.558 -3.240 1.00 0.00 H new ATOM 1047 N LYS A 26 5.066 1.841 -0.763 1.00 0.00 N ATOM 1048 CA LYS A 26 4.281 0.870 -0.021 1.00 0.00 C ATOM 1049 C LYS A 26 4.680 0.919 1.455 1.00 0.00 C ATOM 1050 O LYS A 26 3.820 0.942 2.334 1.00 0.00 O ATOM 1051 CB LYS A 26 4.413 -0.518 -0.650 1.00 0.00 C ATOM 1052 CG LYS A 26 4.110 -0.473 -2.148 1.00 0.00 C ATOM 1053 CD LYS A 26 2.663 -0.883 -2.428 1.00 0.00 C ATOM 1054 CE LYS A 26 2.597 -1.954 -3.519 1.00 0.00 C ATOM 1055 NZ LYS A 26 1.189 -2.271 -3.848 1.00 0.00 N ATOM 0 H LYS A 26 5.651 1.444 -1.498 1.00 0.00 H new ATOM 0 HA LYS A 26 3.221 1.117 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.422 -0.899 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.730 -1.210 -0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.287 0.533 -2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.790 -1.139 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.205 -1.261 -1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.087 -0.010 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.116 -1.605 -4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.110 -2.855 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.161 -2.999 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.705 -2.624 -2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.710 -1.413 -4.188 1.00 0.00 H new ATOM 1068 N ASN A 27 5.985 0.930 1.682 1.00 0.00 N ATOM 1069 CA ASN A 27 6.509 0.975 3.036 1.00 0.00 C ATOM 1070 C ASN A 27 6.705 2.433 3.456 1.00 0.00 C ATOM 1071 O ASN A 27 7.359 2.712 4.459 1.00 0.00 O ATOM 1072 CB ASN A 27 7.865 0.272 3.127 1.00 0.00 C ATOM 1073 CG ASN A 27 7.722 -1.230 2.871 1.00 0.00 C ATOM 1074 OD1 ASN A 27 6.917 -1.915 3.480 1.00 0.00 O ATOM 1075 ND2 ASN A 27 8.545 -1.701 1.938 1.00 0.00 N ATOM 0 H ASN A 27 6.695 0.909 0.950 1.00 0.00 H new ATOM 0 HA ASN A 27 5.796 0.471 3.688 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.552 0.705 2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.299 0.437 4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.526 -2.691 1.694 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.195 -1.072 1.467 1.00 0.00 H new ATOM 1082 N CYS A 28 6.125 3.325 2.666 1.00 0.00 N ATOM 1083 CA CYS A 28 6.226 4.748 2.942 1.00 0.00 C ATOM 1084 C CYS A 28 5.095 5.135 3.897 1.00 0.00 C ATOM 1085 O CYS A 28 3.951 4.724 3.707 1.00 0.00 O ATOM 1086 CB CYS A 28 6.197 5.578 1.657 1.00 0.00 C ATOM 1087 SG CYS A 28 6.590 7.325 2.031 1.00 0.00 S ATOM 0 H CYS A 28 5.583 3.089 1.834 1.00 0.00 H new ATOM 0 HA CYS A 28 7.186 4.961 3.412 1.00 0.00 H new ATOM 0 HB2 CYS A 28 6.916 5.180 0.941 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.213 5.509 1.192 1.00 0.00 H new ATOM 1092 N ARG A 29 5.453 5.920 4.901 1.00 0.00 N ATOM 1093 CA ARG A 29 4.481 6.366 5.885 1.00 0.00 C ATOM 1094 C ARG A 29 3.681 7.552 5.341 1.00 0.00 C ATOM 1095 O ARG A 29 2.555 7.796 5.773 1.00 0.00 O ATOM 1096 CB ARG A 29 5.167 6.778 7.190 1.00 0.00 C ATOM 1097 CG ARG A 29 4.142 6.997 8.303 1.00 0.00 C ATOM 1098 CD ARG A 29 3.991 5.742 9.166 1.00 0.00 C ATOM 1099 NE ARG A 29 2.871 4.915 8.664 1.00 0.00 N ATOM 1100 CZ ARG A 29 2.444 3.781 9.257 1.00 0.00 C ATOM 1101 NH1 ARG A 29 3.040 3.329 10.381 1.00 0.00 N ATOM 1102 NH2 ARG A 29 1.434 3.120 8.723 1.00 0.00 N ATOM 0 H ARG A 29 6.403 6.259 5.055 1.00 0.00 H new ATOM 0 HA ARG A 29 3.809 5.532 6.089 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.877 6.007 7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.738 7.693 7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.451 7.836 8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.178 7.261 7.868 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.916 5.165 9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.810 6.023 10.203 1.00 0.00 H new ATOM 0 HE ARG A 29 2.392 5.221 7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.819 3.846 10.788 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.711 2.471 10.823 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.988 3.468 7.874 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.099 2.261 9.159 1.00 0.00 H new ATOM 1115 N ALA A 30 4.295 8.258 4.403 1.00 0.00 N ATOM 1116 CA ALA A 30 3.654 9.413 3.796 1.00 0.00 C ATOM 1117 C ALA A 30 2.405 8.957 3.038 1.00 0.00 C ATOM 1118 O ALA A 30 2.306 7.798 2.637 1.00 0.00 O ATOM 1119 CB ALA A 30 4.654 10.135 2.892 1.00 0.00 C ATOM 0 H ALA A 30 5.229 8.053 4.048 1.00 0.00 H new ATOM 0 HA ALA A 30 3.335 10.122 4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.174 11.001 2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.508 10.463 3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.994 9.456 2.110 1.00 0.00 H new ATOM 1125 N PRO A 31 1.460 9.918 2.858 1.00 0.00 N ATOM 1126 CA PRO A 31 0.222 9.628 2.154 1.00 0.00 C ATOM 1127 C PRO A 31 0.458 9.529 0.646 1.00 0.00 C ATOM 1128 O PRO A 31 1.409 10.109 0.124 1.00 0.00 O ATOM 1129 CB PRO A 31 -0.722 10.757 2.536 1.00 0.00 C ATOM 1130 CG PRO A 31 0.160 11.878 3.061 1.00 0.00 C ATOM 1131 CD PRO A 31 1.543 11.301 3.318 1.00 0.00 C ATOM 0 HA PRO A 31 -0.202 8.662 2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.303 11.088 1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.433 10.431 3.295 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.214 12.692 2.338 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.257 12.294 3.978 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.310 11.853 2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.803 11.352 4.375 1.00 0.00 H new ATOM 1139 N ARG A 32 -0.424 8.791 -0.012 1.00 0.00 N ATOM 1140 CA ARG A 32 -0.323 8.610 -1.451 1.00 0.00 C ATOM 1141 C ARG A 32 -0.355 9.965 -2.160 1.00 0.00 C ATOM 1142 O ARG A 32 -1.411 10.587 -2.272 1.00 0.00 O ATOM 1143 CB ARG A 32 -1.466 7.739 -1.977 1.00 0.00 C ATOM 1144 CG ARG A 32 -1.570 6.434 -1.186 1.00 0.00 C ATOM 1145 CD ARG A 32 -1.011 5.259 -1.989 1.00 0.00 C ATOM 1146 NE ARG A 32 0.454 5.168 -1.801 1.00 0.00 N ATOM 1147 CZ ARG A 32 1.051 4.906 -0.619 1.00 0.00 C ATOM 1148 NH1 ARG A 32 0.310 4.705 0.492 1.00 0.00 N ATOM 1149 NH2 ARG A 32 2.369 4.848 -0.565 1.00 0.00 N ATOM 0 H ARG A 32 -1.212 8.312 0.424 1.00 0.00 H new ATOM 0 HA ARG A 32 0.624 8.111 -1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.406 8.286 -1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.303 7.517 -3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.024 6.529 -0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.612 6.241 -0.931 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.485 4.331 -1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.243 5.387 -3.046 1.00 0.00 H new ATOM 0 HE ARG A 32 1.050 5.312 -2.616 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.708 4.751 0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.768 4.507 1.382 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.921 5.000 -1.409 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.835 4.651 0.321 1.00 0.00 H new ATOM 1162 N LYS A 33 0.815 10.384 -2.620 1.00 0.00 N ATOM 1163 CA LYS A 33 0.934 11.654 -3.315 1.00 0.00 C ATOM 1164 C LYS A 33 1.705 11.446 -4.621 1.00 0.00 C ATOM 1165 O LYS A 33 2.054 10.318 -4.965 1.00 0.00 O ATOM 1166 CB LYS A 33 1.552 12.711 -2.398 1.00 0.00 C ATOM 1167 CG LYS A 33 2.998 12.355 -2.047 1.00 0.00 C ATOM 1168 CD LYS A 33 3.528 13.252 -0.927 1.00 0.00 C ATOM 1169 CE LYS A 33 4.786 14.000 -1.372 1.00 0.00 C ATOM 1170 NZ LYS A 33 5.585 14.416 -0.197 1.00 0.00 N ATOM 0 H LYS A 33 1.689 9.866 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.051 12.035 -3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.522 13.684 -2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.963 12.795 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.055 11.311 -1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.627 12.461 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.759 13.968 -0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.752 12.648 -0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.386 13.361 -2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.507 14.876 -1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.435 14.922 -0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.015 15.043 0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.867 13.575 0.346 1.00 0.00 H new ATOM 1183 N LYS A 34 1.947 12.551 -5.310 1.00 0.00 N ATOM 1184 CA LYS A 34 2.670 12.504 -6.570 1.00 0.00 C ATOM 1185 C LYS A 34 3.531 13.761 -6.707 1.00 0.00 C ATOM 1186 O LYS A 34 3.458 14.461 -7.716 1.00 0.00 O ATOM 1187 CB LYS A 34 1.702 12.291 -7.736 1.00 0.00 C ATOM 1188 CG LYS A 34 2.461 12.011 -9.034 1.00 0.00 C ATOM 1189 CD LYS A 34 1.982 10.708 -9.679 1.00 0.00 C ATOM 1190 CE LYS A 34 2.364 10.657 -11.159 1.00 0.00 C ATOM 1191 NZ LYS A 34 1.630 11.692 -11.921 1.00 0.00 N ATOM 0 H LYS A 34 1.655 13.484 -5.020 1.00 0.00 H new ATOM 0 HA LYS A 34 3.347 11.650 -6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.036 11.457 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.076 13.175 -7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.318 12.839 -9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.530 11.948 -8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.420 9.857 -9.157 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.900 10.623 -9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.438 10.810 -11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.139 9.671 -11.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.612 11.434 -12.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.656 11.761 -11.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.106 12.610 -11.807 1.00 0.00 H new ATOM 1204 N GLY A 35 4.326 14.010 -5.676 1.00 0.00 N ATOM 1205 CA GLY A 35 5.200 15.171 -5.669 1.00 0.00 C ATOM 1206 C GLY A 35 6.574 14.827 -6.250 1.00 0.00 C ATOM 1207 O GLY A 35 7.247 13.920 -5.765 1.00 0.00 O ATOM 0 H GLY A 35 4.383 13.428 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.747 15.975 -6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.314 15.539 -4.649 1.00 0.00 H new ATOM 1211 N CYS A 36 6.947 15.570 -7.281 1.00 0.00 N ATOM 1212 CA CYS A 36 8.228 15.356 -7.933 1.00 0.00 C ATOM 1213 C CYS A 36 9.335 15.571 -6.900 1.00 0.00 C ATOM 1214 O CYS A 36 9.462 16.657 -6.338 1.00 0.00 O ATOM 1215 CB CYS A 36 8.400 16.265 -9.152 1.00 0.00 C ATOM 1216 SG CYS A 36 10.143 16.234 -9.713 1.00 0.00 S ATOM 0 H CYS A 36 6.385 16.321 -7.681 1.00 0.00 H new ATOM 0 HA CYS A 36 8.280 14.335 -8.312 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.744 15.935 -9.958 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.108 17.285 -8.900 1.00 0.00 H new ATOM 1221 N TRP A 37 10.107 14.517 -6.680 1.00 0.00 N ATOM 1222 CA TRP A 37 11.199 14.576 -5.723 1.00 0.00 C ATOM 1223 C TRP A 37 12.412 15.186 -6.428 1.00 0.00 C ATOM 1224 O TRP A 37 13.541 14.738 -6.231 1.00 0.00 O ATOM 1225 CB TRP A 37 11.485 13.195 -5.131 1.00 0.00 C ATOM 1226 CG TRP A 37 10.494 12.114 -5.566 1.00 0.00 C ATOM 1227 CD1 TRP A 37 9.218 11.961 -5.183 1.00 0.00 C ATOM 1228 CD2 TRP A 37 10.749 11.034 -6.488 1.00 0.00 C ATOM 1229 NE1 TRP A 37 8.635 10.867 -5.789 1.00 0.00 N ATOM 1230 CE2 TRP A 37 9.596 10.285 -6.607 1.00 0.00 C ATOM 1231 CE3 TRP A 37 11.916 10.701 -7.199 1.00 0.00 C ATOM 1232 CZ2 TRP A 37 9.498 9.155 -7.429 1.00 0.00 C ATOM 1233 CZ3 TRP A 37 11.801 9.569 -8.016 1.00 0.00 C ATOM 1234 CH2 TRP A 37 10.648 8.805 -8.147 1.00 0.00 C ATOM 0 H TRP A 37 9.998 13.617 -7.148 1.00 0.00 H new ATOM 0 HA TRP A 37 10.934 15.207 -4.875 1.00 0.00 H new ATOM 0 HB2 TRP A 37 12.491 12.889 -5.419 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.473 13.268 -4.043 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.710 12.613 -4.487 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.676 10.545 -5.660 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.829 11.273 -7.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 8.584 8.584 -7.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.669 9.269 -8.584 1.00 0.00 H new ATOM 0 HH2 TRP A 37 10.639 7.945 -8.800 1.00 0.00 H new ATOM 1245 N LYS A 38 12.139 16.200 -7.237 1.00 0.00 N ATOM 1246 CA LYS A 38 13.194 16.877 -7.972 1.00 0.00 C ATOM 1247 C LYS A 38 13.008 18.390 -7.846 1.00 0.00 C ATOM 1248 O LYS A 38 13.954 19.111 -7.530 1.00 0.00 O ATOM 1249 CB LYS A 38 13.241 16.381 -9.419 1.00 0.00 C ATOM 1250 CG LYS A 38 14.675 16.049 -9.838 1.00 0.00 C ATOM 1251 CD LYS A 38 15.144 14.740 -9.200 1.00 0.00 C ATOM 1252 CE LYS A 38 16.375 14.969 -8.321 1.00 0.00 C ATOM 1253 NZ LYS A 38 17.362 13.885 -8.519 1.00 0.00 N ATOM 0 H LYS A 38 11.202 16.569 -7.399 1.00 0.00 H new ATOM 0 HA LYS A 38 14.169 16.639 -7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.613 15.496 -9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.832 17.143 -10.082 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.731 15.969 -10.924 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.341 16.860 -9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.339 14.314 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.379 14.015 -9.979 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.828 15.930 -8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.078 15.012 -7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.191 14.056 -7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.931 12.973 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.658 13.863 -9.516 1.00 0.00 H new ATOM 1266 N CYS A 39 11.783 18.827 -8.100 1.00 0.00 N ATOM 1267 CA CYS A 39 11.462 20.241 -8.019 1.00 0.00 C ATOM 1268 C CYS A 39 10.560 20.459 -6.802 1.00 0.00 C ATOM 1269 O CYS A 39 10.616 21.510 -6.164 1.00 0.00 O ATOM 1270 CB CYS A 39 10.812 20.749 -9.308 1.00 0.00 C ATOM 1271 SG CYS A 39 9.384 19.693 -9.747 1.00 0.00 S ATOM 0 H CYS A 39 11.001 18.226 -8.362 1.00 0.00 H new ATOM 0 HA CYS A 39 12.379 20.818 -7.900 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.485 21.781 -9.178 1.00 0.00 H new ATOM 0 HB3 CYS A 39 11.541 20.745 -10.119 1.00 0.00 H new ATOM 1276 N GLY A 40 9.750 19.451 -6.518 1.00 0.00 N ATOM 1277 CA GLY A 40 8.838 19.520 -5.388 1.00 0.00 C ATOM 1278 C GLY A 40 7.439 19.943 -5.839 1.00 0.00 C ATOM 1279 O GLY A 40 6.652 20.453 -5.042 1.00 0.00 O ATOM 0 H GLY A 40 9.705 18.582 -7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.788 18.548 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.217 20.230 -4.653 1.00 0.00 H new ATOM 1283 N LYS A 41 7.169 19.718 -7.117 1.00 0.00 N ATOM 1284 CA LYS A 41 5.878 20.069 -7.684 1.00 0.00 C ATOM 1285 C LYS A 41 4.967 18.841 -7.666 1.00 0.00 C ATOM 1286 O LYS A 41 5.354 17.768 -8.126 1.00 0.00 O ATOM 1287 CB LYS A 41 6.053 20.684 -9.074 1.00 0.00 C ATOM 1288 CG LYS A 41 5.296 22.009 -9.185 1.00 0.00 C ATOM 1289 CD LYS A 41 5.754 22.801 -10.412 1.00 0.00 C ATOM 1290 CE LYS A 41 5.300 22.120 -11.704 1.00 0.00 C ATOM 1291 NZ LYS A 41 5.122 23.119 -12.781 1.00 0.00 N ATOM 0 H LYS A 41 7.823 19.296 -7.776 1.00 0.00 H new ATOM 0 HA LYS A 41 5.392 20.835 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.112 20.848 -9.273 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.691 19.989 -9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.225 21.816 -9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.458 22.601 -8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.350 23.812 -10.368 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.840 22.891 -10.406 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.036 21.376 -12.008 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.363 21.590 -11.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.863 22.635 -13.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.367 23.784 -12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.010 23.641 -12.920 1.00 0.00 H new ATOM 1304 N GLU A 42 3.772 19.038 -7.128 1.00 0.00 N ATOM 1305 CA GLU A 42 2.801 17.960 -7.044 1.00 0.00 C ATOM 1306 C GLU A 42 1.959 17.902 -8.321 1.00 0.00 C ATOM 1307 O GLU A 42 1.229 18.843 -8.630 1.00 0.00 O ATOM 1308 CB GLU A 42 1.913 18.117 -5.808 1.00 0.00 C ATOM 1309 CG GLU A 42 1.058 19.382 -5.904 1.00 0.00 C ATOM 1310 CD GLU A 42 -0.424 19.032 -6.053 1.00 0.00 C ATOM 1311 OE1 GLU A 42 -0.840 17.922 -5.688 1.00 0.00 O ATOM 1312 OE2 GLU A 42 -1.155 19.962 -6.569 1.00 0.00 O ATOM 0 H GLU A 42 3.454 19.929 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 42 3.341 17.018 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.268 17.244 -5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.534 18.160 -4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.203 19.992 -5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.382 19.980 -6.756 1.00 0.00 H new ATOM 1320 N GLY A 43 2.089 16.790 -9.027 1.00 0.00 N ATOM 1321 CA GLY A 43 1.350 16.597 -10.263 1.00 0.00 C ATOM 1322 C GLY A 43 2.174 15.801 -11.276 1.00 0.00 C ATOM 1323 O GLY A 43 1.696 14.811 -11.830 1.00 0.00 O ATOM 0 H GLY A 43 2.695 16.012 -8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.417 16.072 -10.055 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.083 17.565 -10.686 1.00 0.00 H new ATOM 1327 N HIS A 44 3.397 16.262 -11.490 1.00 0.00 N ATOM 1328 CA HIS A 44 4.292 15.605 -12.427 1.00 0.00 C ATOM 1329 C HIS A 44 5.278 14.721 -11.662 1.00 0.00 C ATOM 1330 O HIS A 44 5.270 14.696 -10.432 1.00 0.00 O ATOM 1331 CB HIS A 44 4.989 16.630 -13.324 1.00 0.00 C ATOM 1332 CG HIS A 44 6.100 17.389 -12.641 1.00 0.00 C ATOM 1333 ND1 HIS A 44 5.915 18.632 -12.061 1.00 0.00 N ATOM 1334 CD2 HIS A 44 7.413 17.067 -12.450 1.00 0.00 C ATOM 1335 CE1 HIS A 44 7.071 19.031 -11.548 1.00 0.00 C ATOM 1336 NE2 HIS A 44 7.997 18.060 -11.791 1.00 0.00 N ATOM 0 H HIS A 44 3.790 17.083 -11.030 1.00 0.00 H new ATOM 0 HA HIS A 44 3.717 14.959 -13.091 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.396 16.117 -14.196 1.00 0.00 H new ATOM 0 HB3 HIS A 44 4.248 17.341 -13.689 1.00 0.00 H new ATOM 0 HD1 HIS A 44 5.038 19.153 -12.033 1.00 0.00 H new ATOM 0 HD2 HIS A 44 7.895 16.158 -12.779 1.00 0.00 H new ATOM 0 HE1 HIS A 44 7.248 19.961 -11.029 1.00 0.00 H new ATOM 1344 N GLN A 45 6.104 14.016 -12.421 1.00 0.00 N ATOM 1345 CA GLN A 45 7.094 13.132 -11.829 1.00 0.00 C ATOM 1346 C GLN A 45 8.478 13.417 -12.417 1.00 0.00 C ATOM 1347 O GLN A 45 8.594 14.069 -13.454 1.00 0.00 O ATOM 1348 CB GLN A 45 6.707 11.665 -12.024 1.00 0.00 C ATOM 1349 CG GLN A 45 7.051 11.191 -13.438 1.00 0.00 C ATOM 1350 CD GLN A 45 5.901 10.379 -14.038 1.00 0.00 C ATOM 1351 OE1 GLN A 45 4.793 10.859 -14.213 1.00 0.00 O ATOM 1352 NE2 GLN A 45 6.226 9.125 -14.343 1.00 0.00 N ATOM 0 H GLN A 45 6.108 14.039 -13.441 1.00 0.00 H new ATOM 0 HA GLN A 45 7.129 13.324 -10.757 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.228 11.047 -11.293 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.639 11.540 -11.844 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.263 12.051 -14.072 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.955 10.583 -13.412 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.173 8.787 -14.170 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.528 8.502 -14.749 1.00 0.00 H new ATOM 1361 N MET A 46 9.493 12.914 -11.729 1.00 0.00 N ATOM 1362 CA MET A 46 10.864 13.105 -12.170 1.00 0.00 C ATOM 1363 C MET A 46 11.036 12.674 -13.628 1.00 0.00 C ATOM 1364 O MET A 46 11.729 13.339 -14.397 1.00 0.00 O ATOM 1365 CB MET A 46 11.805 12.290 -11.281 1.00 0.00 C ATOM 1366 CG MET A 46 13.212 12.232 -11.880 1.00 0.00 C ATOM 1367 SD MET A 46 13.824 13.885 -12.163 1.00 0.00 S ATOM 1368 CE MET A 46 15.072 13.547 -13.394 1.00 0.00 C ATOM 0 H MET A 46 9.393 12.374 -10.869 1.00 0.00 H new ATOM 0 HA MET A 46 11.106 14.165 -12.094 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.847 12.734 -10.287 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.414 11.279 -11.162 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.881 11.698 -11.206 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.194 11.676 -12.818 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.557 14.478 -13.685 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.815 12.864 -12.981 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.607 13.091 -14.268 1.00 0.00 H new ATOM 1378 N LYS A 47 10.395 11.565 -13.963 1.00 0.00 N ATOM 1379 CA LYS A 47 10.469 11.037 -15.314 1.00 0.00 C ATOM 1380 C LYS A 47 10.088 12.136 -16.308 1.00 0.00 C ATOM 1381 O LYS A 47 10.582 12.158 -17.434 1.00 0.00 O ATOM 1382 CB LYS A 47 9.620 9.771 -15.443 1.00 0.00 C ATOM 1383 CG LYS A 47 9.704 9.195 -16.857 1.00 0.00 C ATOM 1384 CD LYS A 47 8.630 8.127 -17.080 1.00 0.00 C ATOM 1385 CE LYS A 47 7.248 8.765 -17.232 1.00 0.00 C ATOM 1386 NZ LYS A 47 7.028 9.201 -18.628 1.00 0.00 N ATOM 0 H LYS A 47 9.821 11.017 -13.322 1.00 0.00 H new ATOM 0 HA LYS A 47 11.489 10.734 -15.548 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.959 9.027 -14.723 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.582 9.999 -15.201 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.583 9.995 -17.587 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.691 8.762 -17.019 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.867 7.548 -17.972 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.623 7.432 -16.241 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.478 8.050 -16.943 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.159 9.619 -16.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.844 10.224 -18.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.874 8.990 -19.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.211 8.695 -19.025 1.00 0.00 H new ATOM 1399 N ASP A 48 9.213 13.021 -15.855 1.00 0.00 N ATOM 1400 CA ASP A 48 8.759 14.121 -16.690 1.00 0.00 C ATOM 1401 C ASP A 48 8.911 15.435 -15.922 1.00 0.00 C ATOM 1402 O ASP A 48 8.027 16.288 -15.962 1.00 0.00 O ATOM 1403 CB ASP A 48 7.285 13.959 -17.062 1.00 0.00 C ATOM 1404 CG ASP A 48 6.991 12.847 -18.072 1.00 0.00 C ATOM 1405 OD1 ASP A 48 7.147 11.654 -17.772 1.00 0.00 O ATOM 1406 OD2 ASP A 48 6.578 13.254 -19.224 1.00 0.00 O ATOM 0 H ASP A 48 8.806 12.999 -14.920 1.00 0.00 H new ATOM 0 HA ASP A 48 9.361 14.125 -17.598 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.716 13.763 -16.153 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.922 14.903 -17.468 1.00 0.00 H new ATOM 1412 N CYS A 49 10.041 15.558 -15.241 1.00 0.00 N ATOM 1413 CA CYS A 49 10.321 16.755 -14.465 1.00 0.00 C ATOM 1414 C CYS A 49 10.282 17.958 -15.408 1.00 0.00 C ATOM 1415 O CYS A 49 11.147 18.106 -16.269 1.00 0.00 O ATOM 1416 CB CYS A 49 11.658 16.651 -13.728 1.00 0.00 C ATOM 1417 SG CYS A 49 11.863 18.079 -12.602 1.00 0.00 S ATOM 0 H CYS A 49 10.773 14.849 -15.210 1.00 0.00 H new ATOM 0 HA CYS A 49 9.563 16.876 -13.691 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.699 15.721 -13.161 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.478 16.623 -14.446 1.00 0.00 H new ATOM 1422 N THR A 50 9.268 18.790 -15.213 1.00 0.00 N ATOM 1423 CA THR A 50 9.105 19.976 -16.035 1.00 0.00 C ATOM 1424 C THR A 50 10.082 21.069 -15.596 1.00 0.00 C ATOM 1425 O THR A 50 10.164 22.123 -16.224 1.00 0.00 O ATOM 1426 CB THR A 50 7.638 20.407 -15.958 1.00 0.00 C ATOM 1427 OG1 THR A 50 7.573 21.566 -16.783 1.00 0.00 O ATOM 1428 CG2 THR A 50 7.248 20.914 -14.568 1.00 0.00 C ATOM 0 H THR A 50 8.552 18.665 -14.498 1.00 0.00 H new ATOM 0 HA THR A 50 9.345 19.769 -17.078 1.00 0.00 H new ATOM 0 HB THR A 50 6.998 19.567 -16.229 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.472 21.939 -16.895 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.198 21.207 -14.569 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.404 20.122 -13.835 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.864 21.775 -14.309 1.00 0.00 H new ATOM 1436 N GLU A 51 10.799 20.779 -14.520 1.00 0.00 N ATOM 1437 CA GLU A 51 11.767 21.723 -13.989 1.00 0.00 C ATOM 1438 C GLU A 51 11.257 23.156 -14.154 1.00 0.00 C ATOM 1439 O GLU A 51 11.839 23.945 -14.897 1.00 0.00 O ATOM 1440 CB GLU A 51 13.130 21.545 -14.660 1.00 0.00 C ATOM 1441 CG GLU A 51 13.010 21.647 -16.182 1.00 0.00 C ATOM 1442 CD GLU A 51 14.356 21.377 -16.858 1.00 0.00 C ATOM 1443 OE1 GLU A 51 15.394 21.866 -16.389 1.00 0.00 O ATOM 1444 OE2 GLU A 51 14.299 20.629 -17.907 1.00 0.00 O ATOM 0 H GLU A 51 10.729 19.903 -14.002 1.00 0.00 H new ATOM 0 HA GLU A 51 11.894 21.524 -12.925 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.821 22.305 -14.295 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.549 20.576 -14.389 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.269 20.932 -16.541 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.654 22.640 -16.456 1.00 0.00 H new ATOM 1452 N ARG A 52 10.174 23.450 -13.449 1.00 0.00 N ATOM 1453 CA ARG A 52 9.579 24.773 -13.508 1.00 0.00 C ATOM 1454 C ARG A 52 9.557 25.408 -12.116 1.00 0.00 C ATOM 1455 O ARG A 52 10.002 26.540 -11.938 1.00 0.00 O ATOM 1456 CB ARG A 52 8.151 24.712 -14.056 1.00 0.00 C ATOM 1457 CG ARG A 52 8.054 25.415 -15.411 1.00 0.00 C ATOM 1458 CD ARG A 52 6.628 25.348 -15.962 1.00 0.00 C ATOM 1459 NE ARG A 52 6.275 26.630 -16.610 1.00 0.00 N ATOM 1460 CZ ARG A 52 5.356 26.754 -17.591 1.00 0.00 C ATOM 1461 NH1 ARG A 52 4.689 25.673 -18.046 1.00 0.00 N ATOM 1462 NH2 ARG A 52 5.120 27.949 -18.099 1.00 0.00 N ATOM 0 H ARG A 52 9.693 22.793 -12.834 1.00 0.00 H new ATOM 0 HA ARG A 52 10.187 25.380 -14.179 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.841 23.672 -14.159 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.466 25.180 -13.349 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.359 26.456 -15.307 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.743 24.950 -16.116 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.545 24.533 -16.681 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.927 25.134 -15.155 1.00 0.00 H new ATOM 0 HE ARG A 52 6.756 27.473 -16.296 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.877 24.753 -17.648 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.996 25.776 -18.788 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.629 28.761 -17.750 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.429 28.060 -18.841 1.00 0.00 H new ATOM 1475 N GLN A 53 9.032 24.650 -11.163 1.00 0.00 N ATOM 1476 CA GLN A 53 8.945 25.124 -9.793 1.00 0.00 C ATOM 1477 C GLN A 53 8.158 26.434 -9.733 1.00 0.00 C ATOM 1478 O GLN A 53 8.723 27.491 -9.456 1.00 0.00 O ATOM 1479 CB GLN A 53 10.338 25.293 -9.182 1.00 0.00 C ATOM 1480 CG GLN A 53 10.711 24.083 -8.322 1.00 0.00 C ATOM 1481 CD GLN A 53 11.217 24.523 -6.947 1.00 0.00 C ATOM 1482 OE1 GLN A 53 10.768 25.504 -6.376 1.00 0.00 O ATOM 1483 NE2 GLN A 53 12.173 23.745 -6.448 1.00 0.00 N ATOM 0 H GLN A 53 8.663 23.711 -11.314 1.00 0.00 H new ATOM 0 HA GLN A 53 8.414 24.377 -9.204 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.074 25.420 -9.976 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.365 26.198 -8.574 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.843 23.435 -8.204 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.480 23.497 -8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.503 22.939 -6.979 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.576 23.954 -5.535 1.00 0.00 H new ATOM 1492 N ALA A 54 6.864 26.322 -9.997 1.00 0.00 N ATOM 1493 CA ALA A 54 5.993 27.485 -9.976 1.00 0.00 C ATOM 1494 C ALA A 54 4.611 27.071 -9.466 1.00 0.00 C ATOM 1495 O ALA A 54 4.164 25.952 -9.710 1.00 0.00 O ATOM 1496 CB ALA A 54 5.937 28.106 -11.373 1.00 0.00 C ATOM 0 H ALA A 54 6.398 25.444 -10.226 1.00 0.00 H new ATOM 0 HA ALA A 54 6.382 28.244 -9.297 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.284 28.978 -11.357 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.939 28.408 -11.677 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.548 27.374 -12.081 1.00 0.00 H new ATOM 1502 N ASN A 55 3.972 27.998 -8.767 1.00 0.00 N ATOM 1503 CA ASN A 55 2.650 27.745 -8.221 1.00 0.00 C ATOM 1504 C ASN A 55 1.817 29.026 -8.297 1.00 0.00 C ATOM 1505 O ASN A 55 0.601 28.970 -8.478 1.00 0.00 O ATOM 1506 CB ASN A 55 2.732 27.321 -6.753 1.00 0.00 C ATOM 1507 CG ASN A 55 3.551 28.325 -5.938 1.00 0.00 C ATOM 1508 OD1 ASN A 55 3.204 29.486 -5.803 1.00 0.00 O ATOM 1509 ND2 ASN A 55 4.657 27.812 -5.404 1.00 0.00 N ATOM 0 H ASN A 55 4.346 28.926 -8.566 1.00 0.00 H new ATOM 0 HA ASN A 55 2.193 26.945 -8.803 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.728 27.242 -6.337 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.185 26.332 -6.681 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.273 28.400 -4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.889 26.830 -5.556 1.00 0.00 H new TER 1516 ASN A 55 HETATM 1517 ZN ZN A 56 8.741 7.629 1.276 1.00 0.00 ZN HETATM 1518 ZN ZN A 57 9.994 18.059 -11.263 1.00 0.00 ZN