USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=25 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= 1.4 K(o=2.1,f=-3!) USER MOD Set 1.2: B 212 G O2' : rot -16:sc= 0.677 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0022 (180deg=-0.21) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -12.3! C(o=-12!,f=-17!) USER MOD Single : A 9 GLN : amide:sc= -3.07 X(o=-3.1,f=-2.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= 0.927 (180deg=0.478) USER MOD Single : A 17 ASN : amide:sc= 0.565 K(o=0.57,f=-5!) 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= -2.32 K(o=-2.3,f=-0.88) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 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 45 GLN : amide:sc= -2.26 K(o=-2.3,f=-3.9!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -34:sc= 0.926 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.0433 X(o=-0.043,f=-0.26) USER MOD Single : B 201 G O2' : rot -13:sc= 0.426 USER MOD Single : B 202 G O2' : rot -5:sc= -0.649 USER MOD Single : B 203 A O2' : rot 3:sc= -0.723 USER MOD Single : B 204 C O2' : rot -113:sc= 0.905 USER MOD Single : B 205 U O2' : rot 9:sc= -0.784 USER MOD Single : B 206 A O2' : rot -149:sc= -1.3 USER MOD Single : B 207 G O2' : rot -32:sc= 0.456 USER MOD Single : B 208 C O2' : rot -102:sc= 0.865 USER MOD Single : B 209 G O2' : rot 179:sc= -1.73 USER MOD Single : B 210 G O2' : rot 14:sc= 0.684 USER MOD Single : B 211 A O2' : rot 48:sc= 0.152 USER MOD Single : B 213 G O2' : rot -159:sc= -0.731 USER MOD Single : B 214 C O2' : rot 180:sc= -1.17 USER MOD Single : B 215 U O2' : rot -127:sc= -0.235 USER MOD Single : B 216 A O2' : rot -152:sc= -0.903 USER MOD Single : B 217 G O2' : rot -122:sc= 0.585 USER MOD Single : B 218 U O2' : rot -11:sc= 0.591 USER MOD Single : B 219 C O2' : rot -15:sc= 0.554 USER MOD Single : B 220 C O2' : rot -35:sc= 0.493 USER MOD Single : B 220 C O3' : rot 180:sc= 0.317 USER MOD ----------------------------------------------------------------- ATOM 1 P G B 201 2.625 -18.476 -7.184 1.00 0.00 P ATOM 2 OP1 G B 201 1.297 -17.956 -7.578 1.00 0.00 O ATOM 3 OP2 G B 201 3.772 -17.545 -7.257 1.00 0.00 O ATOM 4 O5' G B 201 2.519 -19.015 -5.681 1.00 0.00 O ATOM 5 C5' G B 201 1.264 -19.003 -5.006 1.00 0.00 C ATOM 6 C4' G B 201 1.367 -19.760 -3.702 1.00 0.00 C ATOM 7 O4' G B 201 1.618 -21.117 -3.938 1.00 0.00 O ATOM 8 C3' G B 201 2.622 -19.447 -2.890 1.00 0.00 C ATOM 9 O3' G B 201 2.375 -18.320 -2.052 1.00 0.00 O ATOM 10 C2' G B 201 2.891 -20.687 -2.082 1.00 0.00 C ATOM 11 O2' G B 201 1.990 -20.558 -1.006 1.00 0.00 O ATOM 12 C1' G B 201 2.546 -21.769 -3.101 1.00 0.00 C ATOM 13 N9 G B 201 3.714 -22.249 -3.869 1.00 0.00 N ATOM 14 C8 G B 201 4.410 -21.576 -4.809 1.00 0.00 C ATOM 15 N7 G B 201 5.410 -22.289 -5.315 1.00 0.00 N ATOM 16 C5 G B 201 5.332 -23.483 -4.651 1.00 0.00 C ATOM 17 C6 G B 201 6.113 -24.655 -4.739 1.00 0.00 C ATOM 18 O6 G B 201 7.075 -24.815 -5.490 1.00 0.00 O ATOM 19 N1 G B 201 5.776 -25.695 -3.929 1.00 0.00 N ATOM 20 C2 G B 201 4.723 -25.546 -3.094 1.00 0.00 C ATOM 21 N2 G B 201 4.522 -26.646 -2.370 1.00 0.00 N ATOM 22 N3 G B 201 3.915 -24.484 -2.927 1.00 0.00 N ATOM 23 C4 G B 201 4.303 -23.481 -3.763 1.00 0.00 C ATOM 0 H5' G B 201 0.499 -19.454 -5.638 1.00 0.00 H new ATOM 0 H5'' G B 201 0.955 -17.975 -4.815 1.00 0.00 H new ATOM 0 H4' G B 201 0.435 -19.497 -3.203 1.00 0.00 H new ATOM 0 H3' G B 201 3.480 -19.196 -3.514 1.00 0.00 H new ATOM 0 H2' G B 201 3.879 -20.883 -1.664 1.00 0.00 H new ATOM 0 HO2' G B 201 1.636 -19.644 -0.983 1.00 0.00 H new ATOM 0 H1' G B 201 2.164 -22.672 -2.626 1.00 0.00 H new ATOM 0 H8 G B 201 4.179 -20.567 -5.117 1.00 0.00 H new ATOM 0 H1 G B 201 6.305 -26.567 -3.951 1.00 0.00 H new ATOM 0 H21 G B 201 3.759 -26.679 -1.694 1.00 0.00 H new ATOM 0 H22 G B 201 5.131 -27.455 -2.492 1.00 0.00 H new ATOM 35 P G B 202 3.508 -17.208 -1.854 1.00 0.00 P ATOM 36 OP1 G B 202 2.956 -16.064 -1.094 1.00 0.00 O ATOM 37 OP2 G B 202 4.153 -16.917 -3.153 1.00 0.00 O ATOM 38 O5' G B 202 4.580 -17.947 -0.925 1.00 0.00 O ATOM 39 C5' G B 202 4.322 -18.114 0.468 1.00 0.00 C ATOM 40 C4' G B 202 5.522 -18.733 1.148 1.00 0.00 C ATOM 41 O4' G B 202 5.675 -19.884 0.369 1.00 0.00 O ATOM 42 C3' G B 202 6.858 -18.101 0.766 1.00 0.00 C ATOM 43 O3' G B 202 7.216 -17.123 1.739 1.00 0.00 O ATOM 44 C2' G B 202 7.842 -19.239 0.741 1.00 0.00 C ATOM 45 O2' G B 202 8.154 -19.409 2.106 1.00 0.00 O ATOM 46 C1' G B 202 6.986 -20.341 0.123 1.00 0.00 C ATOM 47 N9 G B 202 7.223 -20.531 -1.323 1.00 0.00 N ATOM 48 C8 G B 202 6.857 -19.708 -2.329 1.00 0.00 C ATOM 49 N7 G B 202 7.220 -20.165 -3.522 1.00 0.00 N ATOM 50 C5 G B 202 7.854 -21.346 -3.244 1.00 0.00 C ATOM 51 C6 G B 202 8.463 -22.301 -4.085 1.00 0.00 C ATOM 52 O6 G B 202 8.534 -22.228 -5.311 1.00 0.00 O ATOM 53 N1 G B 202 9.019 -23.392 -3.494 1.00 0.00 N ATOM 54 C2 G B 202 8.956 -23.499 -2.148 1.00 0.00 C ATOM 55 N2 G B 202 9.541 -24.616 -1.723 1.00 0.00 N ATOM 56 N3 G B 202 8.405 -22.657 -1.254 1.00 0.00 N ATOM 57 C4 G B 202 7.868 -21.589 -1.908 1.00 0.00 C ATOM 0 H5' G B 202 3.447 -18.748 0.610 1.00 0.00 H new ATOM 0 H5'' G B 202 4.094 -17.149 0.922 1.00 0.00 H new ATOM 0 H4' G B 202 5.358 -18.733 2.226 1.00 0.00 H new ATOM 0 H3' G B 202 6.826 -17.592 -0.197 1.00 0.00 H new ATOM 0 H2' G B 202 8.781 -19.157 0.193 1.00 0.00 H new ATOM 0 HO2' G B 202 7.721 -18.703 2.631 1.00 0.00 H new ATOM 0 H1' G B 202 7.208 -21.319 0.549 1.00 0.00 H new ATOM 0 H8 G B 202 6.327 -18.779 -2.180 1.00 0.00 H new ATOM 0 H1 G B 202 9.473 -24.114 -4.054 1.00 0.00 H new ATOM 0 H21 G B 202 9.569 -24.829 -0.726 1.00 0.00 H new ATOM 0 H22 G B 202 9.961 -25.259 -2.394 1.00 0.00 H new ATOM 69 P A B 203 7.877 -15.740 1.277 1.00 0.00 P ATOM 70 OP1 A B 203 7.731 -14.734 2.353 1.00 0.00 O ATOM 71 OP2 A B 203 7.382 -15.376 -0.069 1.00 0.00 O ATOM 72 O5' A B 203 9.429 -16.108 1.152 1.00 0.00 O ATOM 73 C5' A B 203 10.073 -16.850 2.185 1.00 0.00 C ATOM 74 C4' A B 203 11.325 -17.506 1.652 1.00 0.00 C ATOM 75 O4' A B 203 10.933 -18.442 0.727 1.00 0.00 O ATOM 76 C3' A B 203 12.120 -16.645 0.675 1.00 0.00 C ATOM 77 O3' A B 203 13.020 -15.811 1.401 1.00 0.00 O ATOM 78 C2' A B 203 12.858 -17.619 -0.202 1.00 0.00 C ATOM 79 O2' A B 203 13.991 -17.938 0.573 1.00 0.00 O ATOM 80 C1' A B 203 11.819 -18.729 -0.332 1.00 0.00 C ATOM 81 N9 A B 203 11.115 -18.729 -1.631 1.00 0.00 N ATOM 82 C8 A B 203 10.133 -17.894 -2.032 1.00 0.00 C ATOM 83 N7 A B 203 9.707 -18.157 -3.263 1.00 0.00 N ATOM 84 C5 A B 203 10.472 -19.223 -3.655 1.00 0.00 C ATOM 85 C6 A B 203 10.498 -19.963 -4.856 1.00 0.00 C ATOM 86 N6 A B 203 9.698 -19.721 -5.926 1.00 0.00 N ATOM 87 N1 A B 203 11.391 -20.987 -4.941 1.00 0.00 N ATOM 88 C2 A B 203 12.191 -21.235 -3.879 1.00 0.00 C ATOM 89 N3 A B 203 12.251 -20.599 -2.695 1.00 0.00 N ATOM 90 C4 A B 203 11.338 -19.590 -2.674 1.00 0.00 C ATOM 0 H5' A B 203 9.394 -17.608 2.576 1.00 0.00 H new ATOM 0 H5'' A B 203 10.325 -16.189 3.015 1.00 0.00 H new ATOM 0 H4' A B 203 11.876 -17.800 2.545 1.00 0.00 H new ATOM 0 H3' A B 203 11.488 -15.986 0.079 1.00 0.00 H new ATOM 0 H2' A B 203 13.206 -17.329 -1.194 1.00 0.00 H new ATOM 0 HO2' A B 203 13.936 -17.478 1.437 1.00 0.00 H new ATOM 0 H1' A B 203 12.270 -19.720 -0.286 1.00 0.00 H new ATOM 0 H8 A B 203 9.736 -17.098 -1.419 1.00 0.00 H new ATOM 0 H61 A B 203 9.775 -20.301 -6.762 1.00 0.00 H new ATOM 0 H62 A B 203 9.020 -18.960 -5.894 1.00 0.00 H new ATOM 0 H2 A B 203 12.878 -22.060 -3.998 1.00 0.00 H new ATOM 102 P C B 204 13.456 -14.393 0.802 1.00 0.00 P ATOM 103 OP1 C B 204 14.098 -13.580 1.860 1.00 0.00 O ATOM 104 OP2 C B 204 12.319 -13.789 0.072 1.00 0.00 O ATOM 105 O5' C B 204 14.579 -14.785 -0.268 1.00 0.00 O ATOM 106 C5' C B 204 15.726 -15.526 0.139 1.00 0.00 C ATOM 107 C4' C B 204 16.346 -16.222 -1.050 1.00 0.00 C ATOM 108 O4' C B 204 15.510 -17.098 -1.618 1.00 0.00 O ATOM 109 C3' C B 204 16.554 -15.326 -2.268 1.00 0.00 C ATOM 110 O3' C B 204 17.772 -14.599 -2.118 1.00 0.00 O ATOM 111 C2' C B 204 16.610 -16.260 -3.444 1.00 0.00 C ATOM 112 O2' C B 204 17.963 -16.659 -3.459 1.00 0.00 O ATOM 113 C1' C B 204 15.617 -17.331 -3.004 1.00 0.00 C ATOM 114 N1 C B 204 14.300 -17.221 -3.666 1.00 0.00 N ATOM 115 C2 C B 204 14.040 -18.073 -4.739 1.00 0.00 C ATOM 116 O2 C B 204 14.915 -18.874 -5.083 1.00 0.00 O ATOM 117 N3 C B 204 12.849 -17.991 -5.358 1.00 0.00 N ATOM 118 C4 C B 204 11.926 -17.130 -4.978 1.00 0.00 C ATOM 119 N4 C B 204 10.756 -17.065 -5.601 1.00 0.00 N ATOM 120 C5 C B 204 12.169 -16.236 -3.869 1.00 0.00 C ATOM 121 C6 C B 204 13.362 -16.329 -3.262 1.00 0.00 C ATOM 0 H5' C B 204 15.445 -16.261 0.894 1.00 0.00 H new ATOM 0 H5'' C B 204 16.454 -14.859 0.600 1.00 0.00 H new ATOM 0 H4' C B 204 17.259 -16.621 -0.608 1.00 0.00 H new ATOM 0 H3' C B 204 15.760 -14.591 -2.395 1.00 0.00 H new ATOM 0 H2' C B 204 16.354 -15.916 -4.446 1.00 0.00 H new ATOM 0 HO2' C B 204 18.398 -16.311 -4.266 1.00 0.00 H new ATOM 0 H1' C B 204 15.953 -18.334 -3.267 1.00 0.00 H new ATOM 0 H41 C B 204 10.052 -16.393 -5.295 1.00 0.00 H new ATOM 0 H42 C B 204 10.561 -17.687 -6.386 1.00 0.00 H new ATOM 0 H5 C B 204 11.424 -15.525 -3.543 1.00 0.00 H new ATOM 0 H6 C B 204 13.581 -15.676 -2.430 1.00 0.00 H new ATOM 133 P U B 205 17.802 -13.023 -2.395 1.00 0.00 P ATOM 134 OP1 U B 205 18.468 -12.332 -1.268 1.00 0.00 O ATOM 135 OP2 U B 205 16.450 -12.559 -2.778 1.00 0.00 O ATOM 136 O5' U B 205 18.749 -12.902 -3.679 1.00 0.00 O ATOM 137 C5' U B 205 19.746 -13.891 -3.926 1.00 0.00 C ATOM 138 C4' U B 205 19.634 -14.400 -5.345 1.00 0.00 C ATOM 139 O4' U B 205 18.700 -15.151 -5.686 1.00 0.00 O ATOM 140 C3' U B 205 19.485 -13.305 -6.397 1.00 0.00 C ATOM 141 O3' U B 205 20.741 -12.657 -6.587 1.00 0.00 O ATOM 142 C2' U B 205 19.034 -14.012 -7.645 1.00 0.00 C ATOM 143 O2' U B 205 20.250 -14.280 -8.306 1.00 0.00 O ATOM 144 C1' U B 205 18.333 -15.227 -7.045 1.00 0.00 C ATOM 145 N1 U B 205 16.864 -15.198 -7.204 1.00 0.00 N ATOM 146 C2 U B 205 16.359 -15.869 -8.275 1.00 0.00 C ATOM 147 O2 U B 205 17.048 -16.474 -9.081 1.00 0.00 O ATOM 148 N3 U B 205 14.990 -15.843 -8.424 1.00 0.00 N ATOM 149 C4 U B 205 14.145 -15.188 -7.565 1.00 0.00 C ATOM 150 O4 U B 205 12.937 -15.232 -7.797 1.00 0.00 O ATOM 151 C5 U B 205 14.724 -14.503 -6.464 1.00 0.00 C ATOM 152 C6 U B 205 16.052 -14.541 -6.338 1.00 0.00 C ATOM 0 H5' U B 205 19.631 -14.718 -3.225 1.00 0.00 H new ATOM 0 H5'' U B 205 20.737 -13.469 -3.760 1.00 0.00 H new ATOM 0 H4' U B 205 20.575 -14.950 -5.315 1.00 0.00 H new ATOM 0 H3' U B 205 18.771 -12.533 -6.109 1.00 0.00 H new ATOM 0 H2' U B 205 18.370 -13.524 -8.358 1.00 0.00 H new ATOM 0 HO2' U B 205 20.999 -14.060 -7.714 1.00 0.00 H new ATOM 0 H1' U B 205 18.625 -16.154 -7.539 1.00 0.00 H new ATOM 0 H3 U B 205 14.582 -16.338 -9.217 1.00 0.00 H new ATOM 0 H5 U B 205 14.111 -13.970 -5.753 1.00 0.00 H new ATOM 0 H6 U B 205 16.503 -14.023 -5.505 1.00 0.00 H new ATOM 163 P A B 206 20.863 -11.074 -6.387 1.00 0.00 P ATOM 164 OP1 A B 206 22.226 -10.735 -5.918 1.00 0.00 O ATOM 165 OP2 A B 206 19.722 -10.584 -5.581 1.00 0.00 O ATOM 166 O5' A B 206 20.697 -10.509 -7.874 1.00 0.00 O ATOM 167 C5' A B 206 21.082 -11.311 -8.989 1.00 0.00 C ATOM 168 C4' A B 206 20.016 -11.260 -10.059 1.00 0.00 C ATOM 169 O4' A B 206 18.951 -11.885 -10.163 1.00 0.00 O ATOM 170 C3' A B 206 19.554 -9.852 -10.422 1.00 0.00 C ATOM 171 O3' A B 206 20.648 -9.122 -10.976 1.00 0.00 O ATOM 172 C2' A B 206 18.453 -10.042 -11.428 1.00 0.00 C ATOM 173 O2' A B 206 19.142 -9.985 -12.657 1.00 0.00 O ATOM 174 C1' A B 206 17.938 -11.421 -11.027 1.00 0.00 C ATOM 175 N9 A B 206 16.627 -11.386 -10.345 1.00 0.00 N ATOM 176 C8 A B 206 16.383 -11.068 -9.057 1.00 0.00 C ATOM 177 N7 A B 206 15.092 -11.131 -8.749 1.00 0.00 N ATOM 178 C5 A B 206 14.493 -11.513 -9.920 1.00 0.00 C ATOM 179 C6 A B 206 13.141 -11.752 -10.244 1.00 0.00 C ATOM 180 N6 A B 206 12.108 -11.635 -9.370 1.00 0.00 N ATOM 181 N1 A B 206 12.860 -12.127 -11.521 1.00 0.00 N ATOM 182 C2 A B 206 13.882 -12.247 -12.398 1.00 0.00 C ATOM 183 N3 A B 206 15.199 -12.046 -12.200 1.00 0.00 N ATOM 184 C4 A B 206 15.412 -11.675 -10.907 1.00 0.00 C ATOM 0 H5' A B 206 21.238 -12.341 -8.669 1.00 0.00 H new ATOM 0 H5'' A B 206 22.030 -10.955 -9.392 1.00 0.00 H new ATOM 0 H4' A B 206 20.716 -11.850 -10.651 1.00 0.00 H new ATOM 0 H3' A B 206 19.199 -9.286 -9.560 1.00 0.00 H new ATOM 0 H2' A B 206 17.617 -9.345 -11.485 1.00 0.00 H new ATOM 0 HO2' A B 206 18.554 -9.609 -13.345 1.00 0.00 H new ATOM 0 H1' A B 206 17.758 -12.059 -11.892 1.00 0.00 H new ATOM 0 H8 A B 206 17.154 -10.792 -8.352 1.00 0.00 H new ATOM 0 H61 A B 206 11.155 -11.825 -9.679 1.00 0.00 H new ATOM 0 H62 A B 206 12.286 -11.357 -8.405 1.00 0.00 H new ATOM 0 H2 A B 206 13.603 -12.546 -13.398 1.00 0.00 H new ATOM 196 P G B 207 20.922 -7.616 -10.510 1.00 0.00 P ATOM 197 OP1 G B 207 22.366 -7.314 -10.624 1.00 0.00 O ATOM 198 OP2 G B 207 20.276 -7.373 -9.200 1.00 0.00 O ATOM 199 O5' G B 207 20.147 -6.751 -11.611 1.00 0.00 O ATOM 200 C5' G B 207 20.020 -7.243 -12.944 1.00 0.00 C ATOM 201 C4' G B 207 18.563 -7.282 -13.347 1.00 0.00 C ATOM 202 O4' G B 207 17.500 -8.171 -13.189 1.00 0.00 O ATOM 203 C3' G B 207 17.782 -6.016 -13.011 1.00 0.00 C ATOM 204 O3' G B 207 18.466 -4.882 -13.538 1.00 0.00 O ATOM 205 C2' G B 207 16.436 -6.197 -13.656 1.00 0.00 C ATOM 206 O2' G B 207 16.687 -5.848 -14.999 1.00 0.00 O ATOM 207 C1' G B 207 16.195 -7.682 -13.399 1.00 0.00 C ATOM 208 N9 G B 207 15.331 -7.944 -12.229 1.00 0.00 N ATOM 209 C8 G B 207 15.662 -7.832 -10.924 1.00 0.00 C ATOM 210 N7 G B 207 14.656 -8.141 -10.112 1.00 0.00 N ATOM 211 C5 G B 207 13.635 -8.466 -10.963 1.00 0.00 C ATOM 212 C6 G B 207 12.308 -8.879 -10.716 1.00 0.00 C ATOM 213 O6 G B 207 11.804 -9.029 -9.603 1.00 0.00 O ATOM 214 N1 G B 207 11.519 -9.133 -11.796 1.00 0.00 N ATOM 215 C2 G B 207 12.048 -8.976 -13.031 1.00 0.00 C ATOM 216 N2 G B 207 11.156 -9.262 -13.977 1.00 0.00 N ATOM 217 N3 G B 207 13.289 -8.590 -13.381 1.00 0.00 N ATOM 218 C4 G B 207 14.024 -8.352 -12.260 1.00 0.00 C ATOM 0 H5' G B 207 20.452 -8.241 -13.014 1.00 0.00 H new ATOM 0 H5'' G B 207 20.578 -6.606 -13.630 1.00 0.00 H new ATOM 0 H4' G B 207 19.040 -7.617 -14.268 1.00 0.00 H new ATOM 0 H3' G B 207 17.680 -5.853 -11.938 1.00 0.00 H new ATOM 0 H2' G B 207 15.571 -5.625 -13.320 1.00 0.00 H new ATOM 0 HO2' G B 207 17.380 -5.156 -15.033 1.00 0.00 H new ATOM 0 H1' G B 207 15.663 -8.160 -14.222 1.00 0.00 H new ATOM 0 H8 G B 207 16.638 -7.525 -10.578 1.00 0.00 H new ATOM 0 H1 G B 207 10.552 -9.435 -11.677 1.00 0.00 H new ATOM 0 H21 G B 207 11.415 -9.188 -14.961 1.00 0.00 H new ATOM 0 H22 G B 207 10.214 -9.555 -13.718 1.00 0.00 H new ATOM 230 P C B 208 18.979 -3.728 -12.555 1.00 0.00 P ATOM 231 OP1 C B 208 20.206 -3.112 -13.106 1.00 0.00 O ATOM 232 OP2 C B 208 19.036 -4.244 -11.168 1.00 0.00 O ATOM 233 O5' C B 208 17.805 -2.643 -12.631 1.00 0.00 O ATOM 234 C5' C B 208 17.683 -1.804 -13.777 1.00 0.00 C ATOM 235 C4' C B 208 16.307 -1.952 -14.387 1.00 0.00 C ATOM 236 O4' C B 208 15.647 -2.793 -14.609 1.00 0.00 O ATOM 237 C3' C B 208 15.421 -0.718 -14.251 1.00 0.00 C ATOM 238 O3' C B 208 15.605 0.125 -15.386 1.00 0.00 O ATOM 239 C2' C B 208 14.015 -1.244 -14.177 1.00 0.00 C ATOM 240 O2' C B 208 13.387 -0.608 -15.268 1.00 0.00 O ATOM 241 C1' C B 208 14.263 -2.741 -14.345 1.00 0.00 C ATOM 242 N1 C B 208 13.918 -3.534 -13.147 1.00 0.00 N ATOM 243 C2 C B 208 12.659 -4.132 -13.106 1.00 0.00 C ATOM 244 O2 C B 208 11.897 -3.973 -14.066 1.00 0.00 O ATOM 245 N3 C B 208 12.321 -4.858 -12.026 1.00 0.00 N ATOM 246 C4 C B 208 13.147 -5.018 -11.011 1.00 0.00 C ATOM 247 N4 C B 208 12.795 -5.739 -9.953 1.00 0.00 N ATOM 248 C5 C B 208 14.456 -4.408 -11.028 1.00 0.00 C ATOM 249 C6 C B 208 14.778 -3.687 -12.111 1.00 0.00 C ATOM 0 H5' C B 208 18.445 -2.066 -14.511 1.00 0.00 H new ATOM 0 H5'' C B 208 17.855 -0.765 -13.496 1.00 0.00 H new ATOM 0 H4' C B 208 17.018 -2.305 -15.134 1.00 0.00 H new ATOM 0 H3' C B 208 15.658 -0.120 -13.371 1.00 0.00 H new ATOM 0 H2' C B 208 13.398 -1.074 -13.295 1.00 0.00 H new ATOM 0 HO2' C B 208 12.840 0.137 -14.942 1.00 0.00 H new ATOM 0 H1' C B 208 13.639 -3.175 -15.127 1.00 0.00 H new ATOM 0 H41 C B 208 13.445 -5.854 -9.175 1.00 0.00 H new ATOM 0 H42 C B 208 11.875 -6.178 -9.918 1.00 0.00 H new ATOM 0 H5 C B 208 15.145 -4.527 -10.205 1.00 0.00 H new ATOM 0 H6 C B 208 15.748 -3.216 -12.159 1.00 0.00 H new ATOM 261 P G B 209 16.140 1.621 -15.195 1.00 0.00 P ATOM 262 OP1 G B 209 16.682 2.125 -16.476 1.00 0.00 O ATOM 263 OP2 G B 209 17.023 1.685 -14.008 1.00 0.00 O ATOM 264 O5' G B 209 14.806 2.441 -14.864 1.00 0.00 O ATOM 265 C5' G B 209 14.078 2.167 -13.669 1.00 0.00 C ATOM 266 C4' G B 209 12.626 2.546 -13.846 1.00 0.00 C ATOM 267 O4' G B 209 11.937 1.375 -13.846 1.00 0.00 O ATOM 268 C3' G B 209 12.020 3.292 -12.662 1.00 0.00 C ATOM 269 O3' G B 209 11.925 4.681 -12.974 1.00 0.00 O ATOM 270 C2' G B 209 10.663 2.678 -12.458 1.00 0.00 C ATOM 271 O2' G B 209 9.854 3.407 -13.354 1.00 0.00 O ATOM 272 C1' G B 209 10.943 1.232 -12.856 1.00 0.00 C ATOM 273 N9 G B 209 11.420 0.394 -11.736 1.00 0.00 N ATOM 274 C8 G B 209 12.614 0.466 -11.109 1.00 0.00 C ATOM 275 N7 G B 209 12.737 -0.431 -10.137 1.00 0.00 N ATOM 276 C5 G B 209 11.546 -1.106 -10.160 1.00 0.00 C ATOM 277 C6 G B 209 11.062 -2.173 -9.374 1.00 0.00 C ATOM 278 O6 G B 209 11.677 -2.724 -8.463 1.00 0.00 O ATOM 279 N1 G B 209 9.811 -2.635 -9.647 1.00 0.00 N ATOM 280 C2 G B 209 9.111 -2.048 -10.645 1.00 0.00 C ATOM 281 N2 G B 209 7.912 -2.608 -10.787 1.00 0.00 N ATOM 282 N3 G B 209 9.470 -1.033 -11.451 1.00 0.00 N ATOM 283 C4 G B 209 10.728 -0.619 -11.128 1.00 0.00 C ATOM 0 H5' G B 209 14.508 2.724 -12.836 1.00 0.00 H new ATOM 0 H5'' G B 209 14.158 1.109 -13.420 1.00 0.00 H new ATOM 0 H4' G B 209 12.570 3.169 -14.739 1.00 0.00 H new ATOM 0 H3' G B 209 12.622 3.212 -11.757 1.00 0.00 H new ATOM 0 H2' G B 209 10.178 2.699 -11.482 1.00 0.00 H new ATOM 0 HO2' G B 209 8.933 3.075 -13.307 1.00 0.00 H new ATOM 0 H1' G B 209 10.043 0.718 -13.194 1.00 0.00 H new ATOM 0 H8 G B 209 13.385 1.176 -11.370 1.00 0.00 H new ATOM 0 H1 G B 209 9.411 -3.406 -9.112 1.00 0.00 H new ATOM 0 H21 G B 209 7.271 -2.267 -11.504 1.00 0.00 H new ATOM 0 H22 G B 209 7.634 -3.378 -10.179 1.00 0.00 H new ATOM 295 P G B 210 12.465 5.772 -11.937 1.00 0.00 P ATOM 296 OP1 G B 210 13.113 6.881 -12.673 1.00 0.00 O ATOM 297 OP2 G B 210 13.251 5.105 -10.875 1.00 0.00 O ATOM 298 O5' G B 210 11.121 6.338 -11.276 1.00 0.00 O ATOM 299 C5' G B 210 9.911 6.357 -12.029 1.00 0.00 C ATOM 300 C4' G B 210 8.719 6.350 -11.097 1.00 0.00 C ATOM 301 O4' G B 210 8.198 6.442 -9.842 1.00 0.00 O ATOM 302 C3' G B 210 7.367 6.379 -11.803 1.00 0.00 C ATOM 303 O3' G B 210 6.739 5.104 -11.675 1.00 0.00 O ATOM 304 C2' G B 210 6.579 7.454 -11.108 1.00 0.00 C ATOM 305 O2' G B 210 5.293 6.883 -11.012 1.00 0.00 O ATOM 306 C1' G B 210 7.346 7.564 -9.793 1.00 0.00 C ATOM 307 N9 G B 210 8.121 8.817 -9.667 1.00 0.00 N ATOM 308 C8 G B 210 9.195 9.193 -10.392 1.00 0.00 C ATOM 309 N7 G B 210 9.665 10.382 -10.031 1.00 0.00 N ATOM 310 C5 G B 210 8.832 10.773 -9.017 1.00 0.00 C ATOM 311 C6 G B 210 8.808 11.939 -8.224 1.00 0.00 C ATOM 312 O6 G B 210 9.596 12.879 -8.314 1.00 0.00 O ATOM 313 N1 G B 210 7.834 12.032 -7.277 1.00 0.00 N ATOM 314 C2 G B 210 6.955 11.012 -7.155 1.00 0.00 C ATOM 315 N2 G B 210 6.068 11.253 -6.191 1.00 0.00 N ATOM 316 N3 G B 210 6.884 9.864 -7.851 1.00 0.00 N ATOM 317 C4 G B 210 7.882 9.832 -8.778 1.00 0.00 C ATOM 0 H5' G B 210 9.871 5.491 -12.690 1.00 0.00 H new ATOM 0 H5'' G B 210 9.882 7.243 -12.663 1.00 0.00 H new ATOM 0 H4' G B 210 9.739 6.157 -10.764 1.00 0.00 H new ATOM 0 H3' G B 210 7.449 6.586 -12.870 1.00 0.00 H new ATOM 0 H2' G B 210 6.470 8.445 -11.550 1.00 0.00 H new ATOM 0 HO2' G B 210 5.345 5.924 -11.209 1.00 0.00 H new ATOM 0 H1' G B 210 6.680 7.586 -8.930 1.00 0.00 H new ATOM 0 H8 G B 210 9.626 8.593 -11.180 1.00 0.00 H new ATOM 0 H1 G B 210 7.769 12.852 -6.674 1.00 0.00 H new ATOM 0 H21 G B 210 5.341 10.568 -5.984 1.00 0.00 H new ATOM 0 H22 G B 210 6.116 12.122 -5.659 1.00 0.00 H new ATOM 329 P A B 211 6.675 4.115 -12.932 1.00 0.00 P ATOM 330 OP1 A B 211 7.708 4.498 -13.921 1.00 0.00 O ATOM 331 OP2 A B 211 5.278 4.007 -13.410 1.00 0.00 O ATOM 332 O5' A B 211 7.092 2.705 -12.301 1.00 0.00 O ATOM 333 C5' A B 211 7.652 2.647 -10.991 1.00 0.00 C ATOM 334 C4' A B 211 6.550 2.564 -9.958 1.00 0.00 C ATOM 335 O4' A B 211 6.187 3.187 -8.753 1.00 0.00 O ATOM 336 C3' A B 211 5.234 1.999 -10.486 1.00 0.00 C ATOM 337 O3' A B 211 5.202 0.590 -10.271 1.00 0.00 O ATOM 338 C2' A B 211 4.159 2.701 -9.702 1.00 0.00 C ATOM 339 O2' A B 211 3.110 1.761 -9.705 1.00 0.00 O ATOM 340 C1' A B 211 4.865 2.894 -8.362 1.00 0.00 C ATOM 341 N9 A B 211 4.294 3.989 -7.549 1.00 0.00 N ATOM 342 C8 A B 211 4.363 5.314 -7.794 1.00 0.00 C ATOM 343 N7 A B 211 3.746 6.039 -6.867 1.00 0.00 N ATOM 344 C5 A B 211 3.261 5.108 -5.988 1.00 0.00 C ATOM 345 C6 A B 211 2.517 5.243 -4.797 1.00 0.00 C ATOM 346 N6 A B 211 2.118 6.430 -4.271 1.00 0.00 N ATOM 347 N1 A B 211 2.180 4.103 -4.137 1.00 0.00 N ATOM 348 C2 A B 211 2.573 2.916 -4.654 1.00 0.00 C ATOM 349 N3 A B 211 3.279 2.671 -5.773 1.00 0.00 N ATOM 350 C4 A B 211 3.584 3.849 -6.385 1.00 0.00 C ATOM 0 H5' A B 211 8.265 3.530 -10.810 1.00 0.00 H new ATOM 0 H5'' A B 211 8.308 1.780 -10.905 1.00 0.00 H new ATOM 0 H4' A B 211 7.507 2.251 -9.541 1.00 0.00 H new ATOM 0 H3' A B 211 5.102 2.158 -11.556 1.00 0.00 H new ATOM 0 H2' A B 211 3.750 3.654 -10.037 1.00 0.00 H new ATOM 0 HO2' A B 211 3.459 0.881 -9.453 1.00 0.00 H new ATOM 0 H1' A B 211 4.770 2.020 -7.718 1.00 0.00 H new ATOM 0 H8 A B 211 4.865 5.739 -8.650 1.00 0.00 H new ATOM 0 H61 A B 211 1.581 6.449 -3.404 1.00 0.00 H new ATOM 0 H62 A B 211 2.355 7.302 -4.743 1.00 0.00 H new ATOM 0 H2 A B 211 2.279 2.043 -4.090 1.00 0.00 H new ATOM 362 P G B 212 4.826 -0.394 -11.474 1.00 0.00 P ATOM 363 OP1 G B 212 5.912 -0.390 -12.480 1.00 0.00 O ATOM 364 OP2 G B 212 3.455 -0.100 -11.949 1.00 0.00 O ATOM 365 O5' G B 212 4.806 -1.832 -10.772 1.00 0.00 O ATOM 366 C5' G B 212 4.036 -2.037 -9.590 1.00 0.00 C ATOM 367 C4' G B 212 4.886 -2.688 -8.523 1.00 0.00 C ATOM 368 O4' G B 212 5.796 -1.801 -8.107 1.00 0.00 O ATOM 369 C3' G B 212 4.190 -2.848 -7.173 1.00 0.00 C ATOM 370 O3' G B 212 3.426 -4.052 -7.174 1.00 0.00 O ATOM 371 C2' G B 212 5.298 -2.897 -6.159 1.00 0.00 C ATOM 372 O2' G B 212 5.642 -4.265 -6.143 1.00 0.00 O ATOM 373 C1' G B 212 6.322 -1.972 -6.810 1.00 0.00 C ATOM 374 N9 G B 212 6.467 -0.674 -6.118 1.00 0.00 N ATOM 375 C8 G B 212 5.481 0.118 -5.646 1.00 0.00 C ATOM 376 N7 G B 212 5.943 1.224 -5.071 1.00 0.00 N ATOM 377 C5 G B 212 7.301 1.115 -5.192 1.00 0.00 C ATOM 378 C6 G B 212 8.348 1.966 -4.781 1.00 0.00 C ATOM 379 O6 G B 212 8.206 3.040 -4.196 1.00 0.00 O ATOM 380 N1 G B 212 9.622 1.570 -5.052 1.00 0.00 N ATOM 381 C2 G B 212 9.809 0.395 -5.693 1.00 0.00 C ATOM 382 N2 G B 212 11.103 0.149 -5.884 1.00 0.00 N ATOM 383 N3 G B 212 8.893 -0.490 -6.128 1.00 0.00 N ATOM 384 C4 G B 212 7.644 -0.036 -5.828 1.00 0.00 C ATOM 0 H5' G B 212 3.174 -2.665 -9.813 1.00 0.00 H new ATOM 0 H5'' G B 212 3.651 -1.084 -9.228 1.00 0.00 H new ATOM 0 H4' G B 212 5.205 -3.622 -8.985 1.00 0.00 H new ATOM 0 H3' G B 212 3.498 -2.035 -6.952 1.00 0.00 H new ATOM 0 H2' G B 212 5.130 -2.584 -5.128 1.00 0.00 H new ATOM 0 HO2' G B 212 4.931 -4.786 -6.572 1.00 0.00 H new ATOM 0 H1' G B 212 7.328 -2.390 -6.783 1.00 0.00 H new ATOM 0 H8 G B 212 4.431 -0.121 -5.727 1.00 0.00 H new ATOM 0 H1 G B 212 10.417 2.147 -4.778 1.00 0.00 H new ATOM 0 H21 G B 212 11.395 -0.706 -6.357 1.00 0.00 H new ATOM 0 H22 G B 212 11.802 0.815 -5.557 1.00 0.00 H new ATOM 396 P G B 213 1.865 -4.009 -7.522 1.00 0.00 P ATOM 397 OP1 G B 213 1.458 -2.616 -7.815 1.00 0.00 O ATOM 398 OP2 G B 213 1.102 -4.739 -6.484 1.00 0.00 O ATOM 399 O5' G B 213 1.776 -4.847 -8.882 1.00 0.00 O ATOM 400 C5' G B 213 2.930 -5.520 -9.381 1.00 0.00 C ATOM 401 C4' G B 213 2.671 -6.025 -10.782 1.00 0.00 C ATOM 402 O4' G B 213 3.485 -5.318 -11.443 1.00 0.00 O ATOM 403 C3' G B 213 3.115 -7.465 -11.026 1.00 0.00 C ATOM 404 O3' G B 213 1.971 -8.278 -11.277 1.00 0.00 O ATOM 405 C2' G B 213 4.022 -7.403 -12.223 1.00 0.00 C ATOM 406 O2' G B 213 3.140 -7.652 -13.294 1.00 0.00 O ATOM 407 C1' G B 213 4.538 -5.971 -12.116 1.00 0.00 C ATOM 408 N9 G B 213 5.806 -5.855 -11.366 1.00 0.00 N ATOM 409 C8 G B 213 5.992 -6.026 -10.040 1.00 0.00 C ATOM 410 N7 G B 213 7.257 -5.851 -9.674 1.00 0.00 N ATOM 411 C5 G B 213 7.900 -5.553 -10.844 1.00 0.00 C ATOM 412 C6 G B 213 9.253 -5.262 -11.120 1.00 0.00 C ATOM 413 O6 G B 213 10.158 -5.225 -10.287 1.00 0.00 O ATOM 414 N1 G B 213 9.587 -5.001 -12.412 1.00 0.00 N ATOM 415 C2 G B 213 8.613 -5.034 -13.350 1.00 0.00 C ATOM 416 N2 G B 213 9.096 -4.759 -14.559 1.00 0.00 N ATOM 417 N3 G B 213 7.302 -5.297 -13.202 1.00 0.00 N ATOM 418 C4 G B 213 7.033 -5.549 -11.891 1.00 0.00 C ATOM 0 H5' G B 213 3.186 -6.354 -8.727 1.00 0.00 H new ATOM 0 H5'' G B 213 3.784 -4.842 -9.382 1.00 0.00 H new ATOM 0 H4' G B 213 1.608 -5.977 -11.017 1.00 0.00 H new ATOM 0 H3' G B 213 3.631 -7.901 -10.171 1.00 0.00 H new ATOM 0 H2' G B 213 4.866 -8.085 -12.324 1.00 0.00 H new ATOM 0 HO2' G B 213 3.648 -7.970 -14.069 1.00 0.00 H new ATOM 0 H1' G B 213 4.780 -5.548 -13.091 1.00 0.00 H new ATOM 0 H8 G B 213 5.199 -6.278 -9.352 1.00 0.00 H new ATOM 0 H1 G B 213 10.550 -4.785 -12.668 1.00 0.00 H new ATOM 0 H21 G B 213 8.473 -4.748 -15.367 1.00 0.00 H new ATOM 0 H22 G B 213 10.089 -4.559 -14.678 1.00 0.00 H new ATOM 430 P C B 214 1.988 -9.828 -10.881 1.00 0.00 P ATOM 431 OP1 C B 214 0.611 -10.370 -10.928 1.00 0.00 O ATOM 432 OP2 C B 214 2.752 -10.014 -9.628 1.00 0.00 O ATOM 433 O5' C B 214 2.822 -10.495 -12.072 1.00 0.00 O ATOM 434 C5' C B 214 2.369 -10.368 -13.418 1.00 0.00 C ATOM 435 C4' C B 214 3.540 -10.450 -14.371 1.00 0.00 C ATOM 436 O4' C B 214 4.533 -9.473 -14.220 1.00 0.00 O ATOM 437 C3' C B 214 4.420 -11.682 -14.184 1.00 0.00 C ATOM 438 O3' C B 214 3.814 -12.801 -14.829 1.00 0.00 O ATOM 439 C2' C B 214 5.738 -11.328 -14.814 1.00 0.00 C ATOM 440 O2' C B 214 5.491 -11.538 -16.187 1.00 0.00 O ATOM 441 C1' C B 214 5.876 -9.871 -14.387 1.00 0.00 C ATOM 442 N1 C B 214 6.644 -9.692 -13.138 1.00 0.00 N ATOM 443 C2 C B 214 7.952 -9.222 -13.243 1.00 0.00 C ATOM 444 O2 C B 214 8.404 -8.978 -14.367 1.00 0.00 O ATOM 445 N3 C B 214 8.672 -9.052 -12.120 1.00 0.00 N ATOM 446 C4 C B 214 8.174 -9.316 -10.929 1.00 0.00 C ATOM 447 N4 C B 214 8.900 -9.143 -9.831 1.00 0.00 N ATOM 448 C5 C B 214 6.821 -9.805 -10.792 1.00 0.00 C ATOM 449 C6 C B 214 6.115 -9.970 -11.921 1.00 0.00 C ATOM 0 H5' C B 214 1.851 -9.418 -13.547 1.00 0.00 H new ATOM 0 H5'' C B 214 1.651 -11.156 -13.644 1.00 0.00 H new ATOM 0 H4' C B 214 2.984 -10.389 -15.307 1.00 0.00 H new ATOM 0 H3' C B 214 4.551 -11.955 -13.137 1.00 0.00 H new ATOM 0 H2' C B 214 6.648 -11.869 -14.555 1.00 0.00 H new ATOM 0 HO2' C B 214 6.300 -11.332 -16.700 1.00 0.00 H new ATOM 0 H1' C B 214 6.433 -9.282 -15.116 1.00 0.00 H new ATOM 0 H41 C B 214 8.499 -9.352 -8.917 1.00 0.00 H new ATOM 0 H42 C B 214 9.858 -8.801 -9.902 1.00 0.00 H new ATOM 0 H5 C B 214 6.397 -10.028 -9.824 1.00 0.00 H new ATOM 0 H6 C B 214 5.100 -10.333 -11.859 1.00 0.00 H new ATOM 461 P U B 215 3.833 -14.237 -14.125 1.00 0.00 P ATOM 462 OP1 U B 215 2.611 -14.988 -14.492 1.00 0.00 O ATOM 463 OP2 U B 215 4.133 -14.083 -12.685 1.00 0.00 O ATOM 464 O5' U B 215 5.083 -14.960 -14.816 1.00 0.00 O ATOM 465 C5' U B 215 5.454 -14.621 -16.151 1.00 0.00 C ATOM 466 C4' U B 215 6.958 -14.523 -16.264 1.00 0.00 C ATOM 467 O4' U B 215 7.611 -13.614 -15.963 1.00 0.00 O ATOM 468 C3' U B 215 7.710 -15.743 -15.739 1.00 0.00 C ATOM 469 O3' U B 215 7.641 -16.792 -16.702 1.00 0.00 O ATOM 470 C2' U B 215 9.125 -15.278 -15.529 1.00 0.00 C ATOM 471 O2' U B 215 9.779 -15.750 -16.685 1.00 0.00 O ATOM 472 C1' U B 215 8.920 -13.768 -15.462 1.00 0.00 C ATOM 473 N1 U B 215 9.036 -13.217 -14.096 1.00 0.00 N ATOM 474 C2 U B 215 10.239 -12.670 -13.768 1.00 0.00 C ATOM 475 O2 U B 215 11.191 -12.617 -14.530 1.00 0.00 O ATOM 476 N3 U B 215 10.350 -12.156 -12.494 1.00 0.00 N ATOM 477 C4 U B 215 9.331 -12.174 -11.577 1.00 0.00 C ATOM 478 O4 U B 215 9.543 -11.686 -10.468 1.00 0.00 O ATOM 479 C5 U B 215 8.098 -12.756 -11.971 1.00 0.00 C ATOM 480 C6 U B 215 8.011 -13.249 -13.209 1.00 0.00 C ATOM 0 H5' U B 215 4.998 -13.672 -16.433 1.00 0.00 H new ATOM 0 H5'' U B 215 5.078 -15.374 -16.843 1.00 0.00 H new ATOM 0 H4' U B 215 6.861 -14.396 -17.342 1.00 0.00 H new ATOM 0 H3' U B 215 7.289 -16.135 -14.813 1.00 0.00 H new ATOM 0 H2' U B 215 9.702 -15.605 -14.664 1.00 0.00 H new ATOM 0 HO2' U B 215 10.564 -16.276 -16.425 1.00 0.00 H new ATOM 0 H1' U B 215 9.683 -13.227 -16.022 1.00 0.00 H new ATOM 0 H3 U B 215 11.239 -11.739 -12.218 1.00 0.00 H new ATOM 0 H5 U B 215 7.259 -12.799 -11.293 1.00 0.00 H new ATOM 0 H6 U B 215 7.078 -13.695 -13.519 1.00 0.00 H new ATOM 491 P A B 216 7.307 -18.286 -16.236 1.00 0.00 P ATOM 492 OP1 A B 216 6.325 -18.891 -17.163 1.00 0.00 O ATOM 493 OP2 A B 216 6.979 -18.296 -14.793 1.00 0.00 O ATOM 494 O5' A B 216 8.703 -19.044 -16.430 1.00 0.00 O ATOM 495 C5' A B 216 9.622 -18.600 -17.426 1.00 0.00 C ATOM 496 C4' A B 216 11.023 -18.560 -16.860 1.00 0.00 C ATOM 497 O4' A B 216 10.906 -17.763 -15.868 1.00 0.00 O ATOM 498 C3' A B 216 11.420 -19.804 -16.070 1.00 0.00 C ATOM 499 O3' A B 216 12.069 -20.730 -16.940 1.00 0.00 O ATOM 500 C2' A B 216 12.349 -19.313 -14.995 1.00 0.00 C ATOM 501 O2' A B 216 13.621 -19.497 -15.576 1.00 0.00 O ATOM 502 C1' A B 216 11.892 -17.863 -14.865 1.00 0.00 C ATOM 503 N9 A B 216 11.335 -17.537 -13.534 1.00 0.00 N ATOM 504 C8 A B 216 10.072 -17.736 -13.104 1.00 0.00 C ATOM 505 N7 A B 216 9.888 -17.334 -11.851 1.00 0.00 N ATOM 506 C5 A B 216 11.114 -16.855 -11.476 1.00 0.00 C ATOM 507 C6 A B 216 11.568 -16.290 -10.265 1.00 0.00 C ATOM 508 N6 A B 216 10.794 -16.109 -9.164 1.00 0.00 N ATOM 509 N1 A B 216 12.871 -15.903 -10.203 1.00 0.00 N ATOM 510 C2 A B 216 13.649 -16.080 -11.295 1.00 0.00 C ATOM 511 N3 A B 216 13.325 -16.603 -12.492 1.00 0.00 N ATOM 512 C4 A B 216 12.014 -16.970 -12.489 1.00 0.00 C ATOM 0 H5' A B 216 9.336 -17.609 -17.780 1.00 0.00 H new ATOM 0 H5'' A B 216 9.588 -19.268 -18.287 1.00 0.00 H new ATOM 0 H4' A B 216 11.705 -18.364 -17.687 1.00 0.00 H new ATOM 0 H3' A B 216 10.565 -20.322 -15.636 1.00 0.00 H new ATOM 0 H2' A B 216 12.364 -19.779 -14.010 1.00 0.00 H new ATOM 0 HO2' A B 216 14.286 -19.636 -14.870 1.00 0.00 H new ATOM 0 H1' A B 216 12.719 -17.161 -14.975 1.00 0.00 H new ATOM 0 H8 A B 216 9.295 -18.175 -13.712 1.00 0.00 H new ATOM 0 H61 A B 216 11.193 -15.693 -8.323 1.00 0.00 H new ATOM 0 H62 A B 216 9.813 -16.389 -9.178 1.00 0.00 H new ATOM 0 H2 A B 216 14.674 -15.756 -11.192 1.00 0.00 H new ATOM 524 P G B 217 11.661 -22.276 -16.909 1.00 0.00 P ATOM 525 OP1 G B 217 11.781 -22.850 -18.269 1.00 0.00 O ATOM 526 OP2 G B 217 10.366 -22.437 -16.213 1.00 0.00 O ATOM 527 O5' G B 217 12.799 -22.932 -15.995 1.00 0.00 O ATOM 528 C5' G B 217 14.099 -22.346 -15.945 1.00 0.00 C ATOM 529 C4' G B 217 14.478 -22.043 -14.513 1.00 0.00 C ATOM 530 O4' G B 217 14.046 -20.986 -13.702 1.00 0.00 O ATOM 531 C3' G B 217 14.044 -23.105 -13.507 1.00 0.00 C ATOM 532 O3' G B 217 14.626 -24.358 -13.860 1.00 0.00 O ATOM 533 C2' G B 217 14.544 -22.619 -12.175 1.00 0.00 C ATOM 534 O2' G B 217 15.883 -23.061 -12.168 1.00 0.00 O ATOM 535 C1' G B 217 14.353 -21.114 -12.332 1.00 0.00 C ATOM 536 N9 G B 217 13.268 -20.567 -11.489 1.00 0.00 N ATOM 537 C8 G B 217 11.941 -20.614 -11.728 1.00 0.00 C ATOM 538 N7 G B 217 11.227 -20.028 -10.772 1.00 0.00 N ATOM 539 C5 G B 217 12.168 -19.589 -9.880 1.00 0.00 C ATOM 540 C6 G B 217 12.047 -18.893 -8.659 1.00 0.00 C ATOM 541 O6 G B 217 10.988 -18.534 -8.146 1.00 0.00 O ATOM 542 N1 G B 217 13.195 -18.594 -7.991 1.00 0.00 N ATOM 543 C2 G B 217 14.374 -18.977 -8.532 1.00 0.00 C ATOM 544 N2 G B 217 15.398 -18.611 -7.764 1.00 0.00 N ATOM 545 N3 G B 217 14.606 -19.639 -9.680 1.00 0.00 N ATOM 546 C4 G B 217 13.422 -19.906 -10.298 1.00 0.00 C ATOM 0 H5' G B 217 14.116 -21.430 -16.535 1.00 0.00 H new ATOM 0 H5'' G B 217 14.829 -23.024 -16.387 1.00 0.00 H new ATOM 0 H4' G B 217 15.496 -21.872 -14.864 1.00 0.00 H new ATOM 0 H3' G B 217 12.964 -23.253 -13.485 1.00 0.00 H new ATOM 0 H2' G B 217 14.080 -22.950 -11.246 1.00 0.00 H new ATOM 0 HO2' G B 217 16.032 -23.641 -11.393 1.00 0.00 H new ATOM 0 H1' G B 217 15.232 -20.554 -12.014 1.00 0.00 H new ATOM 0 H8 G B 217 11.506 -21.077 -12.601 1.00 0.00 H new ATOM 0 H1 G B 217 13.167 -18.093 -7.103 1.00 0.00 H new ATOM 0 H21 G B 217 16.352 -18.833 -8.047 1.00 0.00 H new ATOM 0 H22 G B 217 15.228 -18.108 -6.893 1.00 0.00 H new ATOM 558 P U B 218 13.737 -25.688 -13.839 1.00 0.00 P ATOM 559 OP1 U B 218 14.067 -26.526 -15.014 1.00 0.00 O ATOM 560 OP2 U B 218 12.316 -25.334 -13.630 1.00 0.00 O ATOM 561 O5' U B 218 14.255 -26.447 -12.530 1.00 0.00 O ATOM 562 C5' U B 218 15.600 -26.272 -12.090 1.00 0.00 C ATOM 563 C4' U B 218 15.625 -25.954 -10.611 1.00 0.00 C ATOM 564 O4' U B 218 15.289 -24.812 -10.126 1.00 0.00 O ATOM 565 C3' U B 218 14.719 -26.839 -9.761 1.00 0.00 C ATOM 566 O3' U B 218 15.255 -28.160 -9.714 1.00 0.00 O ATOM 567 C2' U B 218 14.704 -26.200 -8.400 1.00 0.00 C ATOM 568 O2' U B 218 15.799 -26.814 -7.757 1.00 0.00 O ATOM 569 C1' U B 218 14.901 -24.734 -8.772 1.00 0.00 C ATOM 570 N1 U B 218 13.679 -23.917 -8.613 1.00 0.00 N ATOM 571 C2 U B 218 13.574 -23.210 -7.455 1.00 0.00 C ATOM 572 O2 U B 218 14.419 -23.223 -6.574 1.00 0.00 O ATOM 573 N3 U B 218 12.437 -22.448 -7.305 1.00 0.00 N ATOM 574 C4 U B 218 11.440 -22.377 -8.246 1.00 0.00 C ATOM 575 O4 U B 218 10.468 -21.663 -8.004 1.00 0.00 O ATOM 576 C5 U B 218 11.601 -23.134 -9.435 1.00 0.00 C ATOM 577 C6 U B 218 12.710 -23.866 -9.561 1.00 0.00 C ATOM 0 H5' U B 218 16.073 -25.466 -12.651 1.00 0.00 H new ATOM 0 H5'' U B 218 16.176 -27.177 -12.285 1.00 0.00 H new ATOM 0 H4' U B 218 16.707 -26.076 -10.558 1.00 0.00 H new ATOM 0 H3' U B 218 13.709 -26.922 -10.162 1.00 0.00 H new ATOM 0 H2' U B 218 13.838 -26.295 -7.745 1.00 0.00 H new ATOM 0 HO2' U B 218 16.112 -27.571 -8.295 1.00 0.00 H new ATOM 0 H1' U B 218 15.625 -24.240 -8.124 1.00 0.00 H new ATOM 0 H3 U B 218 12.330 -21.906 -6.447 1.00 0.00 H new ATOM 0 H5 U B 218 10.851 -23.119 -10.212 1.00 0.00 H new ATOM 0 H6 U B 218 12.842 -24.446 -10.462 1.00 0.00 H new ATOM 588 P C B 219 14.307 -29.394 -9.340 1.00 0.00 P ATOM 589 OP1 C B 219 15.090 -30.650 -9.365 1.00 0.00 O ATOM 590 OP2 C B 219 13.075 -29.342 -10.158 1.00 0.00 O ATOM 591 O5' C B 219 13.905 -29.093 -7.821 1.00 0.00 O ATOM 592 C5' C B 219 14.647 -29.684 -6.756 1.00 0.00 C ATOM 593 C4' C B 219 13.985 -29.382 -5.431 1.00 0.00 C ATOM 594 O4' C B 219 13.628 -28.045 -5.644 1.00 0.00 O ATOM 595 C3' C B 219 12.535 -29.847 -5.331 1.00 0.00 C ATOM 596 O3' C B 219 12.494 -31.162 -4.780 1.00 0.00 O ATOM 597 C2' C B 219 11.859 -28.851 -4.429 1.00 0.00 C ATOM 598 O2' C B 219 12.179 -29.330 -3.142 1.00 0.00 O ATOM 599 C1' C B 219 12.569 -27.565 -4.845 1.00 0.00 C ATOM 600 N1 C B 219 11.707 -26.635 -5.604 1.00 0.00 N ATOM 601 C2 C B 219 11.087 -25.605 -4.899 1.00 0.00 C ATOM 602 O2 C B 219 11.286 -25.518 -3.682 1.00 0.00 O ATOM 603 N3 C B 219 10.298 -24.745 -5.568 1.00 0.00 N ATOM 604 C4 C B 219 10.097 -24.854 -6.866 1.00 0.00 C ATOM 605 N4 C B 219 9.314 -23.995 -7.509 1.00 0.00 N ATOM 606 C5 C B 219 10.727 -25.912 -7.620 1.00 0.00 C ATOM 607 C6 C B 219 11.511 -26.761 -6.940 1.00 0.00 C ATOM 0 H5' C B 219 15.667 -29.301 -6.757 1.00 0.00 H new ATOM 0 H5'' C B 219 14.711 -30.762 -6.902 1.00 0.00 H new ATOM 0 H4' C B 219 14.623 -29.756 -4.630 1.00 0.00 H new ATOM 0 H3' C B 219 12.038 -29.894 -6.300 1.00 0.00 H new ATOM 0 H2' C B 219 10.780 -28.700 -4.467 1.00 0.00 H new ATOM 0 HO2' C B 219 12.509 -30.250 -3.208 1.00 0.00 H new ATOM 0 H1' C B 219 12.886 -26.976 -3.985 1.00 0.00 H new ATOM 0 H41 C B 219 9.168 -24.092 -8.514 1.00 0.00 H new ATOM 0 H42 C B 219 8.859 -23.239 -6.998 1.00 0.00 H new ATOM 0 H5 C B 219 10.574 -26.015 -8.684 1.00 0.00 H new ATOM 0 H6 C B 219 11.999 -27.566 -7.470 1.00 0.00 H new ATOM 619 P C B 220 11.850 -32.361 -5.620 1.00 0.00 P ATOM 620 OP1 C B 220 12.578 -33.618 -5.334 1.00 0.00 O ATOM 621 OP2 C B 220 11.711 -31.959 -7.037 1.00 0.00 O ATOM 622 O5' C B 220 10.382 -32.488 -4.996 1.00 0.00 O ATOM 623 C5' C B 220 10.198 -33.118 -3.729 1.00 0.00 C ATOM 624 C4' C B 220 8.735 -33.096 -3.346 1.00 0.00 C ATOM 625 O4' C B 220 8.679 -31.699 -3.407 1.00 0.00 O ATOM 626 C3' C B 220 7.775 -33.297 -4.515 1.00 0.00 C ATOM 627 O3' C B 220 7.303 -34.653 -4.515 1.00 0.00 O ATOM 628 C2' C B 220 6.654 -32.322 -4.278 1.00 0.00 C ATOM 629 O2' C B 220 5.839 -33.006 -3.352 1.00 0.00 O ATOM 630 C1' C B 220 7.427 -31.131 -3.719 1.00 0.00 C ATOM 631 N1 C B 220 7.568 -30.017 -4.678 1.00 0.00 N ATOM 632 C2 C B 220 6.803 -28.873 -4.461 1.00 0.00 C ATOM 633 O2 C B 220 6.047 -28.843 -3.483 1.00 0.00 O ATOM 634 N3 C B 220 6.915 -27.844 -5.320 1.00 0.00 N ATOM 635 C4 C B 220 7.726 -27.893 -6.358 1.00 0.00 C ATOM 636 N4 C B 220 7.822 -26.867 -7.196 1.00 0.00 N ATOM 637 C5 C B 220 8.531 -29.067 -6.607 1.00 0.00 C ATOM 638 C6 C B 220 8.408 -30.083 -5.741 1.00 0.00 C ATOM 0 H5' C B 220 10.789 -32.605 -2.970 1.00 0.00 H new ATOM 0 H5'' C B 220 10.556 -34.147 -3.770 1.00 0.00 H new ATOM 0 H4' C B 220 8.502 -33.762 -2.515 1.00 0.00 H new ATOM 0 H3' C B 220 8.242 -33.124 -5.485 1.00 0.00 H new ATOM 0 H2' C B 220 6.016 -31.988 -5.097 1.00 0.00 H new ATOM 0 HO2' C B 220 5.859 -33.967 -3.545 1.00 0.00 H new ATOM 0 HO3' C B 220 6.685 -34.784 -5.264 1.00 0.00 H new ATOM 0 H1' C B 220 6.918 -30.673 -2.871 1.00 0.00 H new ATOM 0 H41 C B 220 8.454 -26.919 -7.995 1.00 0.00 H new ATOM 0 H42 C B 220 7.264 -26.027 -7.040 1.00 0.00 H new ATOM 0 H5 C B 220 9.201 -29.123 -7.452 1.00 0.00 H new ATOM 0 H6 C B 220 8.993 -30.978 -5.894 1.00 0.00 H new TER 650 C B 220 ATOM 651 N MET A 1 4.102 -11.895 5.247 1.00 0.00 N ATOM 652 CA MET A 1 4.966 -12.456 4.223 1.00 0.00 C ATOM 653 C MET A 1 4.459 -12.103 2.823 1.00 0.00 C ATOM 654 O MET A 1 5.251 -11.846 1.919 1.00 0.00 O ATOM 655 CB MET A 1 5.021 -13.978 4.378 1.00 0.00 C ATOM 656 CG MET A 1 6.302 -14.410 5.096 1.00 0.00 C ATOM 657 SD MET A 1 6.163 -16.111 5.618 1.00 0.00 S ATOM 658 CE MET A 1 5.857 -15.875 7.361 1.00 0.00 C ATOM 0 H1 MET A 1 4.582 -11.940 6.169 1.00 0.00 H new ATOM 0 H2 MET A 1 3.888 -10.904 5.016 1.00 0.00 H new ATOM 0 H3 MET A 1 3.217 -12.439 5.291 1.00 0.00 H new ATOM 0 HA MET A 1 5.963 -12.033 4.345 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.152 -14.322 4.939 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.974 -14.449 3.396 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.158 -14.293 4.432 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.479 -13.769 5.960 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.744 -16.845 7.845 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.695 -15.341 7.809 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.944 -15.294 7.495 1.00 0.00 H new ATOM 668 N GLN A 2 3.142 -12.102 2.689 1.00 0.00 N ATOM 669 CA GLN A 2 2.519 -11.785 1.415 1.00 0.00 C ATOM 670 C GLN A 2 3.276 -10.651 0.722 1.00 0.00 C ATOM 671 O GLN A 2 3.883 -9.810 1.384 1.00 0.00 O ATOM 672 CB GLN A 2 1.043 -11.426 1.601 1.00 0.00 C ATOM 673 CG GLN A 2 0.179 -12.685 1.698 1.00 0.00 C ATOM 674 CD GLN A 2 -1.252 -12.338 2.109 1.00 0.00 C ATOM 675 OE1 GLN A 2 -1.673 -12.557 3.233 1.00 0.00 O ATOM 676 NE2 GLN A 2 -1.976 -11.786 1.138 1.00 0.00 N ATOM 0 H GLN A 2 2.488 -12.316 3.442 1.00 0.00 H new ATOM 0 HA GLN A 2 2.567 -12.669 0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.922 -10.827 2.504 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.706 -10.813 0.765 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.170 -13.199 0.737 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.613 -13.373 2.424 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.562 -11.630 0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.945 -11.519 1.313 1.00 0.00 H new ATOM 685 N LYS A 3 3.216 -10.665 -0.601 1.00 0.00 N ATOM 686 CA LYS A 3 3.889 -9.648 -1.391 1.00 0.00 C ATOM 687 C LYS A 3 5.386 -9.961 -1.449 1.00 0.00 C ATOM 688 O LYS A 3 6.203 -9.198 -0.936 1.00 0.00 O ATOM 689 CB LYS A 3 3.573 -8.252 -0.850 1.00 0.00 C ATOM 690 CG LYS A 3 3.849 -7.179 -1.905 1.00 0.00 C ATOM 691 CD LYS A 3 2.557 -6.466 -2.312 1.00 0.00 C ATOM 692 CE LYS A 3 1.702 -7.355 -3.217 1.00 0.00 C ATOM 693 NZ LYS A 3 0.287 -7.327 -2.783 1.00 0.00 N ATOM 0 H LYS A 3 2.712 -11.364 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 3 3.521 -9.657 -2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.528 -8.205 -0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.175 -8.057 0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.561 -6.453 -1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.309 -7.635 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.990 -6.196 -1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.797 -5.538 -2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.779 -7.014 -4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.077 -8.378 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.280 -7.935 -3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.217 -7.674 -1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.072 -6.352 -2.831 1.00 0.00 H new ATOM 706 N GLY A 4 5.699 -11.084 -2.078 1.00 0.00 N ATOM 707 CA GLY A 4 7.083 -11.507 -2.209 1.00 0.00 C ATOM 708 C GLY A 4 7.912 -10.452 -2.944 1.00 0.00 C ATOM 709 O GLY A 4 9.131 -10.402 -2.798 1.00 0.00 O ATOM 0 H GLY A 4 5.018 -11.714 -2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.508 -11.685 -1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.128 -12.452 -2.750 1.00 0.00 H new ATOM 713 N ASN A 5 7.215 -9.633 -3.719 1.00 0.00 N ATOM 714 CA ASN A 5 7.871 -8.581 -4.478 1.00 0.00 C ATOM 715 C ASN A 5 8.610 -7.650 -3.515 1.00 0.00 C ATOM 716 O ASN A 5 9.530 -6.939 -3.916 1.00 0.00 O ATOM 717 CB ASN A 5 6.853 -7.746 -5.256 1.00 0.00 C ATOM 718 CG ASN A 5 7.379 -7.399 -6.650 1.00 0.00 C ATOM 719 OD1 ASN A 5 7.636 -8.260 -7.476 1.00 0.00 O ATOM 720 ND2 ASN A 5 7.524 -6.095 -6.865 1.00 0.00 N ATOM 0 H ASN A 5 6.203 -9.677 -3.838 1.00 0.00 H new ATOM 0 HA ASN A 5 8.562 -9.050 -5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.917 -8.297 -5.344 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.634 -6.830 -4.708 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.869 -5.762 -7.765 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.290 -5.428 -6.130 1.00 0.00 H new ATOM 727 N PHE A 6 8.178 -7.682 -2.262 1.00 0.00 N ATOM 728 CA PHE A 6 8.788 -6.849 -1.239 1.00 0.00 C ATOM 729 C PHE A 6 10.272 -7.180 -1.075 1.00 0.00 C ATOM 730 O PHE A 6 11.022 -6.405 -0.483 1.00 0.00 O ATOM 731 CB PHE A 6 8.062 -7.151 0.073 1.00 0.00 C ATOM 732 CG PHE A 6 8.836 -6.728 1.324 1.00 0.00 C ATOM 733 CD1 PHE A 6 8.823 -5.428 1.725 1.00 0.00 C ATOM 734 CD2 PHE A 6 9.538 -7.652 2.034 1.00 0.00 C ATOM 735 CE1 PHE A 6 9.541 -5.036 2.886 1.00 0.00 C ATOM 736 CE2 PHE A 6 10.256 -7.258 3.194 1.00 0.00 C ATOM 737 CZ PHE A 6 10.242 -5.960 3.595 1.00 0.00 C ATOM 0 H PHE A 6 7.413 -8.271 -1.933 1.00 0.00 H new ATOM 0 HA PHE A 6 8.707 -5.798 -1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.097 -6.645 0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 6 7.861 -8.221 0.127 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.267 -4.694 1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 6 9.549 -8.684 1.716 1.00 0.00 H new ATOM 0 HE1 PHE A 6 9.530 -4.004 3.205 1.00 0.00 H new ATOM 0 HE2 PHE A 6 10.814 -7.991 3.758 1.00 0.00 H new ATOM 0 HZ PHE A 6 10.788 -5.662 4.478 1.00 0.00 H new ATOM 747 N ARG A 7 10.652 -8.330 -1.611 1.00 0.00 N ATOM 748 CA ARG A 7 12.033 -8.772 -1.531 1.00 0.00 C ATOM 749 C ARG A 7 12.957 -7.753 -2.203 1.00 0.00 C ATOM 750 O ARG A 7 14.175 -7.808 -2.034 1.00 0.00 O ATOM 751 CB ARG A 7 12.216 -10.135 -2.203 1.00 0.00 C ATOM 752 CG ARG A 7 11.969 -10.041 -3.709 1.00 0.00 C ATOM 753 CD ARG A 7 12.212 -11.389 -4.390 1.00 0.00 C ATOM 754 NE ARG A 7 13.648 -11.542 -4.713 1.00 0.00 N ATOM 755 CZ ARG A 7 14.260 -10.936 -5.752 1.00 0.00 C ATOM 756 NH1 ARG A 7 13.563 -10.129 -6.581 1.00 0.00 N ATOM 757 NH2 ARG A 7 15.549 -11.143 -5.946 1.00 0.00 N ATOM 0 H ARG A 7 10.027 -8.969 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 7 12.291 -8.862 -0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.225 -10.503 -2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.528 -10.857 -1.762 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.945 -9.716 -3.894 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.626 -9.287 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.890 -12.199 -3.736 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.617 -11.458 -5.300 1.00 0.00 H new ATOM 0 HE ARG A 7 14.211 -12.144 -4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.567 -9.974 -6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.033 -9.674 -7.364 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.068 -11.754 -5.315 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.026 -10.692 -6.727 1.00 0.00 H new ATOM 770 N ASN A 8 12.343 -6.848 -2.950 1.00 0.00 N ATOM 771 CA ASN A 8 13.094 -5.818 -3.647 1.00 0.00 C ATOM 772 C ASN A 8 13.915 -5.017 -2.635 1.00 0.00 C ATOM 773 O ASN A 8 15.037 -4.607 -2.925 1.00 0.00 O ATOM 774 CB ASN A 8 12.158 -4.848 -4.370 1.00 0.00 C ATOM 775 CG ASN A 8 11.211 -4.161 -3.383 1.00 0.00 C ATOM 776 OD1 ASN A 8 10.873 -4.690 -2.338 1.00 0.00 O ATOM 777 ND2 ASN A 8 10.803 -2.957 -3.774 1.00 0.00 N ATOM 0 H ASN A 8 11.333 -6.806 -3.088 1.00 0.00 H new ATOM 0 HA ASN A 8 13.740 -6.307 -4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.745 -4.097 -4.899 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.579 -5.387 -5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.168 -2.418 -3.186 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.125 -2.573 -4.662 1.00 0.00 H new ATOM 784 N GLN A 9 13.322 -4.819 -1.466 1.00 0.00 N ATOM 785 CA GLN A 9 13.985 -4.075 -0.409 1.00 0.00 C ATOM 786 C GLN A 9 15.306 -4.748 -0.033 1.00 0.00 C ATOM 787 O GLN A 9 16.117 -4.172 0.692 1.00 0.00 O ATOM 788 CB GLN A 9 13.076 -3.932 0.814 1.00 0.00 C ATOM 789 CG GLN A 9 11.876 -3.034 0.503 1.00 0.00 C ATOM 790 CD GLN A 9 11.169 -2.599 1.789 1.00 0.00 C ATOM 791 OE1 GLN A 9 11.755 -2.528 2.856 1.00 0.00 O ATOM 792 NE2 GLN A 9 9.880 -2.314 1.627 1.00 0.00 N ATOM 0 H GLN A 9 12.391 -5.161 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 9 14.203 -3.073 -0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 9 12.727 -4.915 1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 9 13.642 -3.513 1.646 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.208 -2.155 -0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.175 -3.567 -0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.452 -2.395 0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.320 -2.015 2.425 1.00 0.00 H new ATOM 801 N ARG A 10 15.484 -5.958 -0.543 1.00 0.00 N ATOM 802 CA ARG A 10 16.693 -6.715 -0.271 1.00 0.00 C ATOM 803 C ARG A 10 17.927 -5.914 -0.689 1.00 0.00 C ATOM 804 O ARG A 10 19.043 -6.224 -0.274 1.00 0.00 O ATOM 805 CB ARG A 10 16.685 -8.052 -1.014 1.00 0.00 C ATOM 806 CG ARG A 10 16.739 -7.837 -2.528 1.00 0.00 C ATOM 807 CD ARG A 10 16.237 -9.074 -3.276 1.00 0.00 C ATOM 808 NE ARG A 10 15.578 -8.670 -4.538 1.00 0.00 N ATOM 809 CZ ARG A 10 16.239 -8.403 -5.684 1.00 0.00 C ATOM 810 NH1 ARG A 10 17.584 -8.495 -5.738 1.00 0.00 N ATOM 811 NH2 ARG A 10 15.549 -8.050 -6.754 1.00 0.00 N ATOM 0 H ARG A 10 14.810 -6.433 -1.144 1.00 0.00 H new ATOM 0 HA ARG A 10 16.728 -6.909 0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.537 -8.653 -0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.786 -8.611 -0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.132 -6.973 -2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.762 -7.615 -2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.071 -9.743 -3.489 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.536 -9.627 -2.651 1.00 0.00 H new ATOM 0 HE ARG A 10 14.561 -8.588 -4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 10 18.110 -8.768 -4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 10 18.075 -8.291 -6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.532 -7.983 -6.706 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.033 -7.845 -7.628 1.00 0.00 H new ATOM 824 N LYS A 11 17.685 -4.899 -1.505 1.00 0.00 N ATOM 825 CA LYS A 11 18.764 -4.050 -1.984 1.00 0.00 C ATOM 826 C LYS A 11 18.657 -2.675 -1.321 1.00 0.00 C ATOM 827 O LYS A 11 19.309 -2.418 -0.310 1.00 0.00 O ATOM 828 CB LYS A 11 18.764 -3.996 -3.513 1.00 0.00 C ATOM 829 CG LYS A 11 19.951 -3.183 -4.033 1.00 0.00 C ATOM 830 CD LYS A 11 20.506 -3.788 -5.324 1.00 0.00 C ATOM 831 CE LYS A 11 19.662 -3.374 -6.531 1.00 0.00 C ATOM 832 NZ LYS A 11 20.114 -2.066 -7.055 1.00 0.00 N ATOM 0 H LYS A 11 16.758 -4.645 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 11 19.731 -4.467 -1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 11 18.807 -5.008 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.833 -3.552 -3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.640 -2.154 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 11 20.734 -3.151 -3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 11 21.537 -3.464 -5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.522 -4.875 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 11 19.737 -4.131 -7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.612 -3.315 -6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.531 -1.800 -7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.020 -1.343 -6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.110 -2.134 -7.347 1.00 0.00 H new ATOM 845 N THR A 12 17.832 -1.828 -1.918 1.00 0.00 N ATOM 846 CA THR A 12 17.633 -0.486 -1.397 1.00 0.00 C ATOM 847 C THR A 12 16.649 0.287 -2.278 1.00 0.00 C ATOM 848 O THR A 12 16.895 1.441 -2.625 1.00 0.00 O ATOM 849 CB THR A 12 19.003 0.185 -1.283 1.00 0.00 C ATOM 850 OG1 THR A 12 18.831 1.153 -0.251 1.00 0.00 O ATOM 851 CG2 THR A 12 19.352 1.017 -2.519 1.00 0.00 C ATOM 0 H THR A 12 17.294 -2.044 -2.757 1.00 0.00 H new ATOM 0 HA THR A 12 17.183 -0.509 -0.404 1.00 0.00 H new ATOM 0 HB THR A 12 19.768 -0.576 -1.129 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.673 1.634 -0.110 1.00 0.00 H new ATOM 0 HG21 THR A 12 20.334 1.471 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.366 0.374 -3.399 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.605 1.800 -2.654 1.00 0.00 H new ATOM 859 N VAL A 13 15.556 -0.381 -2.616 1.00 0.00 N ATOM 860 CA VAL A 13 14.533 0.229 -3.450 1.00 0.00 C ATOM 861 C VAL A 13 14.326 1.680 -3.014 1.00 0.00 C ATOM 862 O VAL A 13 14.586 2.031 -1.864 1.00 0.00 O ATOM 863 CB VAL A 13 13.250 -0.602 -3.395 1.00 0.00 C ATOM 864 CG1 VAL A 13 13.422 -1.927 -4.142 1.00 0.00 C ATOM 865 CG2 VAL A 13 12.811 -0.839 -1.949 1.00 0.00 C ATOM 0 H VAL A 13 15.356 -1.339 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 13 14.849 0.245 -4.493 1.00 0.00 H new ATOM 0 HB VAL A 13 12.463 -0.037 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.495 -2.498 -4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.664 -1.727 -5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.229 -2.500 -3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.897 -1.432 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.596 -1.373 -1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.627 0.119 -1.463 1.00 0.00 H new ATOM 875 N LYS A 14 13.857 2.486 -3.957 1.00 0.00 N ATOM 876 CA LYS A 14 13.611 3.893 -3.685 1.00 0.00 C ATOM 877 C LYS A 14 12.106 4.122 -3.534 1.00 0.00 C ATOM 878 O LYS A 14 11.314 3.600 -4.315 1.00 0.00 O ATOM 879 CB LYS A 14 14.262 4.767 -4.757 1.00 0.00 C ATOM 880 CG LYS A 14 13.852 6.233 -4.593 1.00 0.00 C ATOM 881 CD LYS A 14 13.445 6.842 -5.935 1.00 0.00 C ATOM 882 CE LYS A 14 14.653 7.451 -6.650 1.00 0.00 C ATOM 883 NZ LYS A 14 14.699 8.915 -6.432 1.00 0.00 N ATOM 0 H LYS A 14 13.641 2.192 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 14 14.075 4.187 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 14 15.347 4.680 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.971 4.413 -5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.022 6.306 -3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.680 6.801 -4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.994 6.075 -6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.688 7.609 -5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.571 6.993 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.597 7.238 -7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.329 9.351 -7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.743 9.311 -6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.057 9.113 -5.476 1.00 0.00 H new ATOM 896 N CYS A 15 11.758 4.904 -2.522 1.00 0.00 N ATOM 897 CA CYS A 15 10.362 5.210 -2.258 1.00 0.00 C ATOM 898 C CYS A 15 9.875 6.190 -3.327 1.00 0.00 C ATOM 899 O CYS A 15 10.333 7.330 -3.383 1.00 0.00 O ATOM 900 CB CYS A 15 10.160 5.759 -0.844 1.00 0.00 C ATOM 901 SG CYS A 15 8.378 6.028 -0.526 1.00 0.00 S ATOM 0 H CYS A 15 12.419 5.335 -1.875 1.00 0.00 H new ATOM 0 HA CYS A 15 9.771 4.296 -2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.567 5.061 -0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.704 6.696 -0.728 1.00 0.00 H new ATOM 906 N PHE A 16 8.951 5.711 -4.147 1.00 0.00 N ATOM 907 CA PHE A 16 8.397 6.531 -5.211 1.00 0.00 C ATOM 908 C PHE A 16 7.362 7.516 -4.661 1.00 0.00 C ATOM 909 O PHE A 16 6.702 8.219 -5.425 1.00 0.00 O ATOM 910 CB PHE A 16 7.708 5.583 -6.194 1.00 0.00 C ATOM 911 CG PHE A 16 8.668 4.883 -7.159 1.00 0.00 C ATOM 912 CD1 PHE A 16 9.614 5.604 -7.819 1.00 0.00 C ATOM 913 CD2 PHE A 16 8.574 3.541 -7.358 1.00 0.00 C ATOM 914 CE1 PHE A 16 10.505 4.954 -8.714 1.00 0.00 C ATOM 915 CE2 PHE A 16 9.464 2.891 -8.252 1.00 0.00 C ATOM 916 CZ PHE A 16 10.411 3.612 -8.912 1.00 0.00 C ATOM 0 H PHE A 16 8.572 4.765 -4.096 1.00 0.00 H new ATOM 0 HA PHE A 16 9.190 7.106 -5.689 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.160 4.828 -5.631 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.974 6.145 -6.771 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.688 6.670 -7.663 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.821 2.969 -6.835 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.257 5.526 -9.237 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.390 1.825 -8.409 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.088 3.118 -9.593 1.00 0.00 H new ATOM 926 N ASN A 17 7.254 7.535 -3.341 1.00 0.00 N ATOM 927 CA ASN A 17 6.311 8.422 -2.680 1.00 0.00 C ATOM 928 C ASN A 17 7.047 9.674 -2.198 1.00 0.00 C ATOM 929 O ASN A 17 6.705 10.788 -2.591 1.00 0.00 O ATOM 930 CB ASN A 17 5.681 7.745 -1.461 1.00 0.00 C ATOM 931 CG ASN A 17 4.345 8.400 -1.102 1.00 0.00 C ATOM 932 OD1 ASN A 17 3.553 8.764 -1.955 1.00 0.00 O ATOM 933 ND2 ASN A 17 4.140 8.526 0.206 1.00 0.00 N ATOM 0 H ASN A 17 7.804 6.951 -2.711 1.00 0.00 H new ATOM 0 HA ASN A 17 5.529 8.677 -3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.527 6.686 -1.667 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.362 7.809 -0.612 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.277 8.949 0.549 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.845 8.200 0.867 1.00 0.00 H new ATOM 940 N CYS A 18 8.044 9.447 -1.355 1.00 0.00 N ATOM 941 CA CYS A 18 8.831 10.544 -0.816 1.00 0.00 C ATOM 942 C CYS A 18 10.046 10.753 -1.721 1.00 0.00 C ATOM 943 O CYS A 18 10.411 11.889 -2.023 1.00 0.00 O ATOM 944 CB CYS A 18 9.239 10.286 0.637 1.00 0.00 C ATOM 945 SG CYS A 18 10.207 8.737 0.749 1.00 0.00 S ATOM 0 H CYS A 18 8.325 8.521 -1.032 1.00 0.00 H new ATOM 0 HA CYS A 18 8.230 11.453 -0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.830 11.122 1.011 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.351 10.216 1.266 1.00 0.00 H new ATOM 950 N GLY A 19 10.640 9.641 -2.129 1.00 0.00 N ATOM 951 CA GLY A 19 11.806 9.689 -2.994 1.00 0.00 C ATOM 952 C GLY A 19 13.076 9.327 -2.222 1.00 0.00 C ATOM 953 O GLY A 19 14.163 9.797 -2.552 1.00 0.00 O ATOM 0 H GLY A 19 10.335 8.701 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.674 8.999 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.907 10.687 -3.420 1.00 0.00 H new ATOM 957 N LYS A 20 12.896 8.493 -1.207 1.00 0.00 N ATOM 958 CA LYS A 20 14.014 8.063 -0.385 1.00 0.00 C ATOM 959 C LYS A 20 14.466 6.672 -0.835 1.00 0.00 C ATOM 960 O LYS A 20 14.001 6.163 -1.853 1.00 0.00 O ATOM 961 CB LYS A 20 13.650 8.141 1.098 1.00 0.00 C ATOM 962 CG LYS A 20 13.912 9.543 1.654 1.00 0.00 C ATOM 963 CD LYS A 20 14.729 9.478 2.946 1.00 0.00 C ATOM 964 CE LYS A 20 13.818 9.532 4.173 1.00 0.00 C ATOM 965 NZ LYS A 20 14.432 8.807 5.307 1.00 0.00 N ATOM 0 H LYS A 20 11.993 8.104 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 20 14.863 8.733 -0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.600 7.883 1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.232 7.409 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.445 10.138 0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.964 10.045 1.844 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.315 8.559 2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.435 10.308 2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.636 10.570 4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.850 9.092 3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.800 8.854 6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.583 7.813 5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.345 9.244 5.545 1.00 0.00 H new ATOM 978 N GLU A 21 15.367 6.096 -0.053 1.00 0.00 N ATOM 979 CA GLU A 21 15.888 4.774 -0.358 1.00 0.00 C ATOM 980 C GLU A 21 15.916 3.911 0.905 1.00 0.00 C ATOM 981 O GLU A 21 16.480 4.311 1.922 1.00 0.00 O ATOM 982 CB GLU A 21 17.277 4.864 -0.993 1.00 0.00 C ATOM 983 CG GLU A 21 17.200 4.684 -2.510 1.00 0.00 C ATOM 984 CD GLU A 21 18.266 5.524 -3.216 1.00 0.00 C ATOM 985 OE1 GLU A 21 19.312 5.825 -2.622 1.00 0.00 O ATOM 986 OE2 GLU A 21 17.978 5.865 -4.426 1.00 0.00 O ATOM 0 H GLU A 21 15.750 6.521 0.792 1.00 0.00 H new ATOM 0 HA GLU A 21 15.225 4.302 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.725 5.830 -0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 21 17.926 4.100 -0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.335 3.632 -2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.211 4.973 -2.864 1.00 0.00 H new ATOM 994 N GLY A 22 15.300 2.742 0.799 1.00 0.00 N ATOM 995 CA GLY A 22 15.248 1.819 1.919 1.00 0.00 C ATOM 996 C GLY A 22 13.812 1.366 2.189 1.00 0.00 C ATOM 997 O GLY A 22 13.570 0.561 3.089 1.00 0.00 O ATOM 0 H GLY A 22 14.833 2.414 -0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 22 15.874 0.951 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.656 2.298 2.809 1.00 0.00 H new ATOM 1001 N HIS A 23 12.897 1.901 1.395 1.00 0.00 N ATOM 1002 CA HIS A 23 11.492 1.561 1.537 1.00 0.00 C ATOM 1003 C HIS A 23 10.728 2.000 0.286 1.00 0.00 C ATOM 1004 O HIS A 23 11.179 2.881 -0.443 1.00 0.00 O ATOM 1005 CB HIS A 23 10.915 2.158 2.823 1.00 0.00 C ATOM 1006 CG HIS A 23 10.547 3.618 2.711 1.00 0.00 C ATOM 1007 ND1 HIS A 23 11.438 4.639 2.994 1.00 0.00 N ATOM 1008 CD2 HIS A 23 9.378 4.217 2.344 1.00 0.00 C ATOM 1009 CE1 HIS A 23 10.821 5.796 2.803 1.00 0.00 C ATOM 1010 NE2 HIS A 23 9.545 5.532 2.400 1.00 0.00 N ATOM 0 H HIS A 23 13.101 2.568 0.651 1.00 0.00 H new ATOM 0 HA HIS A 23 11.384 0.480 1.626 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.029 1.591 3.109 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.643 2.038 3.626 1.00 0.00 H new ATOM 0 HD1 HIS A 23 12.405 4.521 3.298 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.470 3.707 2.057 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.253 6.776 2.942 1.00 0.00 H new ATOM 1018 N ILE A 24 9.585 1.364 0.075 1.00 0.00 N ATOM 1019 CA ILE A 24 8.755 1.678 -1.075 1.00 0.00 C ATOM 1020 C ILE A 24 7.494 2.406 -0.604 1.00 0.00 C ATOM 1021 O ILE A 24 7.133 2.336 0.569 1.00 0.00 O ATOM 1022 CB ILE A 24 8.468 0.416 -1.889 1.00 0.00 C ATOM 1023 CG1 ILE A 24 7.416 -0.456 -1.199 1.00 0.00 C ATOM 1024 CG2 ILE A 24 9.757 -0.359 -2.172 1.00 0.00 C ATOM 1025 CD1 ILE A 24 6.947 -1.583 -2.121 1.00 0.00 C ATOM 0 H ILE A 24 9.214 0.632 0.681 1.00 0.00 H new ATOM 0 HA ILE A 24 9.280 2.353 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 24 8.055 0.718 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.832 -0.879 -0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.564 0.158 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.525 -1.252 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.444 0.272 -2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.221 -0.649 -1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.200 -2.187 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.509 -1.156 -3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.797 -2.210 -2.391 1.00 0.00 H new ATOM 1037 N ALA A 25 6.858 3.089 -1.545 1.00 0.00 N ATOM 1038 CA ALA A 25 5.645 3.829 -1.243 1.00 0.00 C ATOM 1039 C ALA A 25 4.689 2.932 -0.453 1.00 0.00 C ATOM 1040 O ALA A 25 4.003 3.399 0.456 1.00 0.00 O ATOM 1041 CB ALA A 25 5.022 4.342 -2.543 1.00 0.00 C ATOM 0 H ALA A 25 7.161 3.145 -2.517 1.00 0.00 H new ATOM 0 HA ALA A 25 5.870 4.698 -0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.112 4.897 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.729 4.997 -3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.780 3.498 -3.189 1.00 0.00 H new ATOM 1047 N LYS A 26 4.675 1.661 -0.828 1.00 0.00 N ATOM 1048 CA LYS A 26 3.815 0.695 -0.165 1.00 0.00 C ATOM 1049 C LYS A 26 4.188 0.619 1.317 1.00 0.00 C ATOM 1050 O LYS A 26 3.314 0.627 2.182 1.00 0.00 O ATOM 1051 CB LYS A 26 3.873 -0.654 -0.884 1.00 0.00 C ATOM 1052 CG LYS A 26 3.603 -0.490 -2.380 1.00 0.00 C ATOM 1053 CD LYS A 26 2.131 -0.757 -2.705 1.00 0.00 C ATOM 1054 CE LYS A 26 1.921 -2.207 -3.143 1.00 0.00 C ATOM 1055 NZ LYS A 26 0.477 -2.529 -3.193 1.00 0.00 N ATOM 0 H LYS A 26 5.245 1.278 -1.582 1.00 0.00 H new ATOM 0 HA LYS A 26 2.774 1.013 -0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.853 -1.107 -0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.139 -1.333 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.871 0.519 -2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.234 -1.177 -2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.517 -0.545 -1.829 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.801 -0.083 -3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.369 -2.365 -4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.426 -2.879 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.352 -3.517 -3.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.059 -2.397 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.004 -1.899 -3.872 1.00 0.00 H new ATOM 1068 N ASN A 27 5.488 0.548 1.565 1.00 0.00 N ATOM 1069 CA ASN A 27 5.987 0.471 2.928 1.00 0.00 C ATOM 1070 C ASN A 27 6.309 1.880 3.429 1.00 0.00 C ATOM 1071 O ASN A 27 6.976 2.042 4.449 1.00 0.00 O ATOM 1072 CB ASN A 27 7.270 -0.360 2.997 1.00 0.00 C ATOM 1073 CG ASN A 27 6.970 -1.847 2.805 1.00 0.00 C ATOM 1074 OD1 ASN A 27 7.151 -2.665 3.693 1.00 0.00 O ATOM 1075 ND2 ASN A 27 6.503 -2.154 1.598 1.00 0.00 N ATOM 0 H ASN A 27 6.211 0.542 0.845 1.00 0.00 H new ATOM 0 HA ASN A 27 5.219 0.002 3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.967 -0.024 2.229 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.757 -0.205 3.960 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.273 -3.122 1.371 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.374 -1.422 0.900 1.00 0.00 H new ATOM 1082 N CYS A 28 5.819 2.864 2.688 1.00 0.00 N ATOM 1083 CA CYS A 28 6.046 4.254 3.044 1.00 0.00 C ATOM 1084 C CYS A 28 4.967 4.675 4.044 1.00 0.00 C ATOM 1085 O CYS A 28 3.786 4.404 3.839 1.00 0.00 O ATOM 1086 CB CYS A 28 6.066 5.158 1.811 1.00 0.00 C ATOM 1087 SG CYS A 28 6.466 6.876 2.301 1.00 0.00 S ATOM 0 H CYS A 28 5.266 2.725 1.842 1.00 0.00 H new ATOM 0 HA CYS A 28 7.028 4.359 3.505 1.00 0.00 H new ATOM 0 HB2 CYS A 28 6.803 4.794 1.095 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.097 5.129 1.313 1.00 0.00 H new ATOM 1092 N ARG A 29 5.413 5.333 5.104 1.00 0.00 N ATOM 1093 CA ARG A 29 4.500 5.795 6.137 1.00 0.00 C ATOM 1094 C ARG A 29 3.700 6.999 5.637 1.00 0.00 C ATOM 1095 O ARG A 29 2.553 7.195 6.036 1.00 0.00 O ATOM 1096 CB ARG A 29 5.258 6.187 7.406 1.00 0.00 C ATOM 1097 CG ARG A 29 4.928 5.236 8.558 1.00 0.00 C ATOM 1098 CD ARG A 29 5.199 5.897 9.911 1.00 0.00 C ATOM 1099 NE ARG A 29 6.243 5.144 10.642 1.00 0.00 N ATOM 1100 CZ ARG A 29 6.365 5.129 11.987 1.00 0.00 C ATOM 1101 NH1 ARG A 29 5.506 5.828 12.759 1.00 0.00 N ATOM 1102 NH2 ARG A 29 7.335 4.422 12.534 1.00 0.00 N ATOM 0 H ARG A 29 6.394 5.557 5.270 1.00 0.00 H new ATOM 0 HA ARG A 29 3.821 4.975 6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.331 6.171 7.213 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.000 7.208 7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.882 4.937 8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.525 4.328 8.467 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.519 6.929 9.764 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.282 5.929 10.500 1.00 0.00 H new ATOM 0 HE ARG A 29 6.912 4.602 10.095 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.759 6.372 12.327 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.604 5.812 13.774 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.979 3.897 11.943 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.441 4.400 13.548 1.00 0.00 H new ATOM 1115 N ALA A 30 4.335 7.774 4.770 1.00 0.00 N ATOM 1116 CA ALA A 30 3.696 8.952 4.211 1.00 0.00 C ATOM 1117 C ALA A 30 2.451 8.530 3.429 1.00 0.00 C ATOM 1118 O ALA A 30 2.333 7.378 3.015 1.00 0.00 O ATOM 1119 CB ALA A 30 4.699 9.714 3.342 1.00 0.00 C ATOM 0 H ALA A 30 5.286 7.608 4.441 1.00 0.00 H new ATOM 0 HA ALA A 30 3.374 9.626 5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.219 10.598 2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.551 10.018 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.043 9.070 2.533 1.00 0.00 H new ATOM 1125 N PRO A 31 1.527 9.512 3.245 1.00 0.00 N ATOM 1126 CA PRO A 31 0.294 9.253 2.520 1.00 0.00 C ATOM 1127 C PRO A 31 0.552 9.165 1.015 1.00 0.00 C ATOM 1128 O PRO A 31 1.464 9.809 0.498 1.00 0.00 O ATOM 1129 CB PRO A 31 -0.632 10.398 2.899 1.00 0.00 C ATOM 1130 CG PRO A 31 0.265 11.495 3.449 1.00 0.00 C ATOM 1131 CD PRO A 31 1.632 10.888 3.720 1.00 0.00 C ATOM 0 HA PRO A 31 -0.154 8.294 2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.193 10.750 2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.362 10.080 3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.346 12.315 2.736 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.157 11.910 4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.417 11.430 3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.877 10.923 4.781 1.00 0.00 H new ATOM 1139 N ARG A 32 -0.269 8.364 0.352 1.00 0.00 N ATOM 1140 CA ARG A 32 -0.141 8.183 -1.084 1.00 0.00 C ATOM 1141 C ARG A 32 -0.279 9.527 -1.802 1.00 0.00 C ATOM 1142 O ARG A 32 -1.371 10.091 -1.867 1.00 0.00 O ATOM 1143 CB ARG A 32 -1.204 7.218 -1.614 1.00 0.00 C ATOM 1144 CG ARG A 32 -1.174 5.894 -0.848 1.00 0.00 C ATOM 1145 CD ARG A 32 0.138 5.146 -1.097 1.00 0.00 C ATOM 1146 NE ARG A 32 -0.063 4.105 -2.129 1.00 0.00 N ATOM 1147 CZ ARG A 32 -0.945 3.090 -2.021 1.00 0.00 C ATOM 1148 NH1 ARG A 32 -1.720 2.971 -0.921 1.00 0.00 N ATOM 1149 NH2 ARG A 32 -1.041 2.216 -3.005 1.00 0.00 N ATOM 0 H ARG A 32 -1.026 7.833 0.783 1.00 0.00 H new ATOM 0 HA ARG A 32 0.845 7.762 -1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.191 7.673 -1.523 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.035 7.032 -2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.292 6.084 0.219 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.015 5.273 -1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.910 5.845 -1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.488 4.690 -0.171 1.00 0.00 H new ATOM 0 HE ARG A 32 0.502 4.158 -2.977 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.641 3.651 -0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.385 2.201 -0.846 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.453 2.313 -3.833 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.703 1.443 -2.938 1.00 0.00 H new ATOM 1162 N LYS A 33 0.843 10.001 -2.323 1.00 0.00 N ATOM 1163 CA LYS A 33 0.861 11.268 -3.035 1.00 0.00 C ATOM 1164 C LYS A 33 1.634 11.101 -4.345 1.00 0.00 C ATOM 1165 O LYS A 33 2.051 9.996 -4.687 1.00 0.00 O ATOM 1166 CB LYS A 33 1.407 12.379 -2.135 1.00 0.00 C ATOM 1167 CG LYS A 33 0.316 13.396 -1.796 1.00 0.00 C ATOM 1168 CD LYS A 33 0.428 13.854 -0.340 1.00 0.00 C ATOM 1169 CE LYS A 33 -0.407 15.112 -0.095 1.00 0.00 C ATOM 1170 NZ LYS A 33 0.421 16.170 0.524 1.00 0.00 N ATOM 0 H LYS A 33 1.746 9.531 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.152 11.572 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.803 11.946 -1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.235 12.882 -2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.397 14.257 -2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.665 12.953 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.093 13.056 0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.472 14.053 -0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.821 15.470 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.250 14.875 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.161 17.017 0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.795 15.831 1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.211 16.407 -0.109 1.00 0.00 H new ATOM 1183 N LYS A 34 1.800 12.215 -5.042 1.00 0.00 N ATOM 1184 CA LYS A 34 2.514 12.207 -6.307 1.00 0.00 C ATOM 1185 C LYS A 34 3.280 13.523 -6.465 1.00 0.00 C ATOM 1186 O LYS A 34 3.148 14.203 -7.480 1.00 0.00 O ATOM 1187 CB LYS A 34 1.556 11.912 -7.462 1.00 0.00 C ATOM 1188 CG LYS A 34 2.149 10.872 -8.415 1.00 0.00 C ATOM 1189 CD LYS A 34 2.102 11.364 -9.863 1.00 0.00 C ATOM 1190 CE LYS A 34 2.707 10.330 -10.814 1.00 0.00 C ATOM 1191 NZ LYS A 34 1.677 9.359 -11.247 1.00 0.00 N ATOM 0 H LYS A 34 1.452 13.130 -4.754 1.00 0.00 H new ATOM 0 HA LYS A 34 3.251 11.404 -6.322 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.606 11.550 -7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.345 12.832 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.180 10.661 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.597 9.936 -8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.070 11.566 -10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.646 12.305 -9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.131 10.832 -11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.524 9.806 -10.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.104 8.664 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.291 8.868 -10.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.911 9.862 -11.738 1.00 0.00 H new ATOM 1204 N GLY A 35 4.062 13.840 -5.444 1.00 0.00 N ATOM 1205 CA GLY A 35 4.849 15.062 -5.456 1.00 0.00 C ATOM 1206 C GLY A 35 6.277 14.790 -5.934 1.00 0.00 C ATOM 1207 O GLY A 35 6.966 13.932 -5.384 1.00 0.00 O ATOM 0 H GLY A 35 4.168 13.272 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.377 15.796 -6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.873 15.493 -4.455 1.00 0.00 H new ATOM 1211 N CYS A 36 6.678 15.536 -6.952 1.00 0.00 N ATOM 1212 CA CYS A 36 8.012 15.387 -7.510 1.00 0.00 C ATOM 1213 C CYS A 36 9.030 15.721 -6.418 1.00 0.00 C ATOM 1214 O CYS A 36 9.053 16.840 -5.907 1.00 0.00 O ATOM 1215 CB CYS A 36 8.205 16.254 -8.755 1.00 0.00 C ATOM 1216 SG CYS A 36 9.954 16.200 -9.290 1.00 0.00 S ATOM 0 H CYS A 36 6.103 16.246 -7.406 1.00 0.00 H new ATOM 0 HA CYS A 36 8.158 14.358 -7.839 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.559 15.900 -9.559 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.913 17.282 -8.541 1.00 0.00 H new ATOM 1221 N TRP A 37 9.847 14.731 -6.091 1.00 0.00 N ATOM 1222 CA TRP A 37 10.864 14.906 -5.069 1.00 0.00 C ATOM 1223 C TRP A 37 12.099 15.522 -5.731 1.00 0.00 C ATOM 1224 O TRP A 37 13.229 15.192 -5.373 1.00 0.00 O ATOM 1225 CB TRP A 37 11.164 13.582 -4.361 1.00 0.00 C ATOM 1226 CG TRP A 37 10.266 12.424 -4.802 1.00 0.00 C ATOM 1227 CD1 TRP A 37 9.015 12.154 -4.407 1.00 0.00 C ATOM 1228 CD2 TRP A 37 10.605 11.384 -5.743 1.00 0.00 C ATOM 1229 NE1 TRP A 37 8.523 11.020 -5.022 1.00 0.00 N ATOM 1230 CE2 TRP A 37 9.521 10.538 -5.860 1.00 0.00 C ATOM 1231 CE3 TRP A 37 11.788 11.166 -6.471 1.00 0.00 C ATOM 1232 CZ2 TRP A 37 9.513 9.416 -6.697 1.00 0.00 C ATOM 1233 CZ3 TRP A 37 11.763 10.041 -7.304 1.00 0.00 C ATOM 1234 CH2 TRP A 37 10.680 9.179 -7.433 1.00 0.00 C ATOM 0 H TRP A 37 9.825 13.804 -6.516 1.00 0.00 H new ATOM 0 HA TRP A 37 10.513 15.581 -4.288 1.00 0.00 H new ATOM 0 HB2 TRP A 37 12.204 13.312 -4.543 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.055 13.724 -3.286 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.461 12.749 -3.696 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.598 10.612 -4.886 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.648 11.815 -6.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 8.652 8.768 -6.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.647 9.828 -7.887 1.00 0.00 H new ATOM 0 HH2 TRP A 37 10.739 8.330 -8.098 1.00 0.00 H new ATOM 1245 N LYS A 38 11.840 16.405 -6.684 1.00 0.00 N ATOM 1246 CA LYS A 38 12.916 17.070 -7.399 1.00 0.00 C ATOM 1247 C LYS A 38 12.657 18.578 -7.414 1.00 0.00 C ATOM 1248 O LYS A 38 13.549 19.367 -7.104 1.00 0.00 O ATOM 1249 CB LYS A 38 13.089 16.462 -8.792 1.00 0.00 C ATOM 1250 CG LYS A 38 14.566 16.200 -9.097 1.00 0.00 C ATOM 1251 CD LYS A 38 15.127 15.105 -8.187 1.00 0.00 C ATOM 1252 CE LYS A 38 16.598 15.366 -7.859 1.00 0.00 C ATOM 1253 NZ LYS A 38 17.189 14.200 -7.163 1.00 0.00 N ATOM 0 H LYS A 38 10.901 16.675 -6.978 1.00 0.00 H new ATOM 0 HA LYS A 38 13.866 16.914 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.529 15.529 -8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.673 17.136 -9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.679 15.904 -10.140 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.138 17.118 -8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.547 15.061 -7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.026 14.135 -8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.151 15.568 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.685 16.254 -7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.188 14.394 -6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.672 14.025 -6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.123 13.361 -7.774 1.00 0.00 H new ATOM 1266 N CYS A 39 11.433 18.932 -7.776 1.00 0.00 N ATOM 1267 CA CYS A 39 11.045 20.331 -7.836 1.00 0.00 C ATOM 1268 C CYS A 39 10.068 20.608 -6.692 1.00 0.00 C ATOM 1269 O CYS A 39 10.031 21.714 -6.155 1.00 0.00 O ATOM 1270 CB CYS A 39 10.449 20.696 -9.197 1.00 0.00 C ATOM 1271 SG CYS A 39 9.087 19.547 -9.612 1.00 0.00 S ATOM 0 H CYS A 39 10.696 18.274 -8.031 1.00 0.00 H new ATOM 0 HA CYS A 39 11.927 20.960 -7.720 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.078 21.721 -9.178 1.00 0.00 H new ATOM 0 HB3 CYS A 39 11.221 20.651 -9.965 1.00 0.00 H new ATOM 1276 N GLY A 40 9.301 19.582 -6.351 1.00 0.00 N ATOM 1277 CA GLY A 40 8.326 19.701 -5.279 1.00 0.00 C ATOM 1278 C GLY A 40 6.941 20.040 -5.835 1.00 0.00 C ATOM 1279 O GLY A 40 6.098 20.582 -5.122 1.00 0.00 O ATOM 0 H GLY A 40 9.335 18.666 -6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.279 18.767 -4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.641 20.476 -4.580 1.00 0.00 H new ATOM 1283 N LYS A 41 6.749 19.706 -7.102 1.00 0.00 N ATOM 1284 CA LYS A 41 5.480 19.969 -7.760 1.00 0.00 C ATOM 1285 C LYS A 41 4.624 18.700 -7.733 1.00 0.00 C ATOM 1286 O LYS A 41 5.072 17.636 -8.154 1.00 0.00 O ATOM 1287 CB LYS A 41 5.711 20.523 -9.168 1.00 0.00 C ATOM 1288 CG LYS A 41 4.933 21.823 -9.380 1.00 0.00 C ATOM 1289 CD LYS A 41 5.874 23.029 -9.397 1.00 0.00 C ATOM 1290 CE LYS A 41 6.047 23.610 -7.993 1.00 0.00 C ATOM 1291 NZ LYS A 41 7.482 23.769 -7.670 1.00 0.00 N ATOM 0 H LYS A 41 7.450 19.256 -7.691 1.00 0.00 H new ATOM 0 HA LYS A 41 4.926 20.740 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.775 20.703 -9.322 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.402 19.785 -9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.383 21.773 -10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.196 21.943 -8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.845 22.731 -9.793 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.478 23.794 -10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.545 24.575 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.574 22.955 -7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.581 24.165 -6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.952 22.842 -7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.923 24.412 -8.358 1.00 0.00 H new ATOM 1304 N GLU A 42 3.408 18.858 -7.233 1.00 0.00 N ATOM 1305 CA GLU A 42 2.485 17.739 -7.144 1.00 0.00 C ATOM 1306 C GLU A 42 1.703 17.590 -8.451 1.00 0.00 C ATOM 1307 O GLU A 42 1.053 18.533 -8.900 1.00 0.00 O ATOM 1308 CB GLU A 42 1.537 17.902 -5.954 1.00 0.00 C ATOM 1309 CG GLU A 42 0.612 19.105 -6.151 1.00 0.00 C ATOM 1310 CD GLU A 42 -0.276 19.320 -4.924 1.00 0.00 C ATOM 1311 OE1 GLU A 42 0.167 19.924 -3.936 1.00 0.00 O ATOM 1312 OE2 GLU A 42 -1.467 18.834 -5.021 1.00 0.00 O ATOM 0 H GLU A 42 3.040 19.743 -6.885 1.00 0.00 H new ATOM 0 HA GLU A 42 3.063 16.829 -6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.942 16.997 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.115 18.029 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.207 20.000 -6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.010 18.949 -7.032 1.00 0.00 H new ATOM 1320 N GLY A 43 1.792 16.399 -9.025 1.00 0.00 N ATOM 1321 CA GLY A 43 1.102 16.115 -10.271 1.00 0.00 C ATOM 1322 C GLY A 43 2.005 15.344 -11.235 1.00 0.00 C ATOM 1323 O GLY A 43 1.580 14.359 -11.836 1.00 0.00 O ATOM 0 H GLY A 43 2.332 15.619 -8.649 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.202 15.535 -10.068 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.782 17.048 -10.735 1.00 0.00 H new ATOM 1327 N HIS A 44 3.236 15.822 -11.353 1.00 0.00 N ATOM 1328 CA HIS A 44 4.203 15.190 -12.233 1.00 0.00 C ATOM 1329 C HIS A 44 5.219 14.405 -11.401 1.00 0.00 C ATOM 1330 O HIS A 44 5.157 14.410 -10.173 1.00 0.00 O ATOM 1331 CB HIS A 44 4.860 16.224 -13.150 1.00 0.00 C ATOM 1332 CG HIS A 44 5.945 17.035 -12.484 1.00 0.00 C ATOM 1333 ND1 HIS A 44 5.735 18.314 -12.001 1.00 0.00 N ATOM 1334 CD2 HIS A 44 7.250 16.734 -12.224 1.00 0.00 C ATOM 1335 CE1 HIS A 44 6.870 18.755 -11.477 1.00 0.00 C ATOM 1336 NE2 HIS A 44 7.807 17.774 -11.617 1.00 0.00 N ATOM 0 H HIS A 44 3.585 16.640 -10.853 1.00 0.00 H new ATOM 0 HA HIS A 44 3.696 14.480 -12.886 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.283 15.711 -14.014 1.00 0.00 H new ATOM 0 HB3 HIS A 44 4.093 16.901 -13.525 1.00 0.00 H new ATOM 0 HD1 HIS A 44 4.856 18.830 -12.041 1.00 0.00 H new ATOM 0 HD2 HIS A 44 7.746 15.807 -12.470 1.00 0.00 H new ATOM 0 HE1 HIS A 44 7.025 19.721 -11.020 1.00 0.00 H new ATOM 1344 N GLN A 45 6.131 13.750 -12.105 1.00 0.00 N ATOM 1345 CA GLN A 45 7.159 12.961 -11.446 1.00 0.00 C ATOM 1346 C GLN A 45 8.540 13.327 -11.994 1.00 0.00 C ATOM 1347 O GLN A 45 8.653 13.865 -13.094 1.00 0.00 O ATOM 1348 CB GLN A 45 6.886 11.464 -11.602 1.00 0.00 C ATOM 1349 CG GLN A 45 7.000 11.035 -13.065 1.00 0.00 C ATOM 1350 CD GLN A 45 5.924 10.007 -13.421 1.00 0.00 C ATOM 1351 OE1 GLN A 45 4.749 10.178 -13.142 1.00 0.00 O ATOM 1352 NE2 GLN A 45 6.390 8.932 -14.051 1.00 0.00 N ATOM 0 H GLN A 45 6.180 13.749 -13.124 1.00 0.00 H new ATOM 0 HA GLN A 45 7.139 13.190 -10.381 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.593 10.897 -10.997 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.889 11.232 -11.228 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.903 11.907 -13.712 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.987 10.611 -13.247 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.386 8.852 -14.254 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.751 8.188 -14.331 1.00 0.00 H new ATOM 1361 N MET A 46 9.556 13.019 -11.201 1.00 0.00 N ATOM 1362 CA MET A 46 10.925 13.309 -11.592 1.00 0.00 C ATOM 1363 C MET A 46 11.223 12.758 -12.988 1.00 0.00 C ATOM 1364 O MET A 46 11.845 13.434 -13.806 1.00 0.00 O ATOM 1365 CB MET A 46 11.888 12.685 -10.581 1.00 0.00 C ATOM 1366 CG MET A 46 13.340 12.859 -11.028 1.00 0.00 C ATOM 1367 SD MET A 46 14.058 11.269 -11.406 1.00 0.00 S ATOM 1368 CE MET A 46 15.793 11.675 -11.289 1.00 0.00 C ATOM 0 H MET A 46 9.458 12.572 -10.290 1.00 0.00 H new ATOM 0 HA MET A 46 11.057 14.391 -11.612 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.746 13.148 -9.605 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.664 11.625 -10.466 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.384 13.505 -11.905 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.915 13.349 -10.242 1.00 0.00 H new ATOM 0 HE1 MET A 46 16.389 10.787 -11.498 1.00 0.00 H new ATOM 0 HE2 MET A 46 16.034 12.453 -12.013 1.00 0.00 H new ATOM 0 HE3 MET A 46 16.016 12.033 -10.284 1.00 0.00 H new ATOM 1378 N LYS A 47 10.767 11.536 -13.218 1.00 0.00 N ATOM 1379 CA LYS A 47 10.977 10.886 -14.501 1.00 0.00 C ATOM 1380 C LYS A 47 10.424 11.777 -15.615 1.00 0.00 C ATOM 1381 O LYS A 47 10.975 11.817 -16.713 1.00 0.00 O ATOM 1382 CB LYS A 47 10.386 9.475 -14.490 1.00 0.00 C ATOM 1383 CG LYS A 47 11.032 8.602 -15.567 1.00 0.00 C ATOM 1384 CD LYS A 47 10.786 7.118 -15.292 1.00 0.00 C ATOM 1385 CE LYS A 47 9.334 6.738 -15.593 1.00 0.00 C ATOM 1386 NZ LYS A 47 9.230 6.102 -16.925 1.00 0.00 N ATOM 0 H LYS A 47 10.252 10.978 -12.537 1.00 0.00 H new ATOM 0 HA LYS A 47 12.042 10.758 -14.694 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.537 9.021 -13.510 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.310 9.526 -14.655 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.628 8.866 -16.544 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.104 8.796 -15.602 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.458 6.515 -15.903 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.016 6.894 -14.250 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.964 6.055 -14.828 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.704 7.627 -15.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.239 5.851 -17.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.563 6.765 -17.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.815 5.242 -16.946 1.00 0.00 H new ATOM 1399 N ASP A 48 9.341 12.468 -15.293 1.00 0.00 N ATOM 1400 CA ASP A 48 8.707 13.356 -16.253 1.00 0.00 C ATOM 1401 C ASP A 48 8.705 14.782 -15.699 1.00 0.00 C ATOM 1402 O ASP A 48 7.745 15.527 -15.895 1.00 0.00 O ATOM 1403 CB ASP A 48 7.255 12.946 -16.508 1.00 0.00 C ATOM 1404 CG ASP A 48 6.742 13.227 -17.921 1.00 0.00 C ATOM 1405 OD1 ASP A 48 6.477 12.301 -18.701 1.00 0.00 O ATOM 1406 OD2 ASP A 48 6.613 14.477 -18.216 1.00 0.00 O ATOM 0 H ASP A 48 8.886 12.431 -14.381 1.00 0.00 H new ATOM 0 HA ASP A 48 9.267 13.298 -17.186 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.154 11.880 -16.306 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.616 13.467 -15.795 1.00 0.00 H new ATOM 1412 N CYS A 49 9.790 15.121 -15.019 1.00 0.00 N ATOM 1413 CA CYS A 49 9.926 16.444 -14.435 1.00 0.00 C ATOM 1414 C CYS A 49 9.776 17.479 -15.552 1.00 0.00 C ATOM 1415 O CYS A 49 10.636 17.584 -16.425 1.00 0.00 O ATOM 1416 CB CYS A 49 11.252 16.599 -13.688 1.00 0.00 C ATOM 1417 SG CYS A 49 11.264 18.175 -12.757 1.00 0.00 S ATOM 0 H CYS A 49 10.584 14.501 -14.859 1.00 0.00 H new ATOM 0 HA CYS A 49 9.145 16.598 -13.690 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.394 15.762 -13.004 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.082 16.578 -14.395 1.00 0.00 H new ATOM 1422 N THR A 50 8.678 18.217 -15.488 1.00 0.00 N ATOM 1423 CA THR A 50 8.404 19.240 -16.483 1.00 0.00 C ATOM 1424 C THR A 50 9.216 20.503 -16.187 1.00 0.00 C ATOM 1425 O THR A 50 9.083 21.508 -16.884 1.00 0.00 O ATOM 1426 CB THR A 50 6.893 19.482 -16.509 1.00 0.00 C ATOM 1427 OG1 THR A 50 6.718 20.476 -17.516 1.00 0.00 O ATOM 1428 CG2 THR A 50 6.385 20.152 -15.231 1.00 0.00 C ATOM 0 H THR A 50 7.967 18.127 -14.762 1.00 0.00 H new ATOM 0 HA THR A 50 8.714 18.917 -17.477 1.00 0.00 H new ATOM 0 HB THR A 50 6.376 18.533 -16.651 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.484 21.087 -17.509 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.308 20.301 -15.302 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.608 19.517 -14.374 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.877 21.117 -15.106 1.00 0.00 H new ATOM 1436 N GLU A 51 10.039 20.409 -15.153 1.00 0.00 N ATOM 1437 CA GLU A 51 10.872 21.531 -14.756 1.00 0.00 C ATOM 1438 C GLU A 51 12.266 21.401 -15.374 1.00 0.00 C ATOM 1439 O GLU A 51 12.705 22.280 -16.115 1.00 0.00 O ATOM 1440 CB GLU A 51 10.955 21.641 -13.232 1.00 0.00 C ATOM 1441 CG GLU A 51 11.530 22.995 -12.811 1.00 0.00 C ATOM 1442 CD GLU A 51 10.650 24.143 -13.311 1.00 0.00 C ATOM 1443 OE1 GLU A 51 9.463 24.211 -12.961 1.00 0.00 O ATOM 1444 OE2 GLU A 51 11.242 24.984 -14.090 1.00 0.00 O ATOM 0 H GLU A 51 10.147 19.573 -14.578 1.00 0.00 H new ATOM 0 HA GLU A 51 10.415 22.448 -15.128 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.963 21.513 -12.800 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.579 20.839 -12.839 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.609 23.039 -11.725 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.539 23.105 -13.209 1.00 0.00 H new ATOM 1452 N ARG A 52 12.923 20.298 -15.046 1.00 0.00 N ATOM 1453 CA ARG A 52 14.258 20.043 -15.559 1.00 0.00 C ATOM 1454 C ARG A 52 15.247 21.068 -15.002 1.00 0.00 C ATOM 1455 O ARG A 52 15.363 22.174 -15.528 1.00 0.00 O ATOM 1456 CB ARG A 52 14.281 20.101 -17.088 1.00 0.00 C ATOM 1457 CG ARG A 52 14.816 18.794 -17.679 1.00 0.00 C ATOM 1458 CD ARG A 52 16.344 18.804 -17.739 1.00 0.00 C ATOM 1459 NE ARG A 52 16.877 17.500 -17.289 1.00 0.00 N ATOM 1460 CZ ARG A 52 17.089 17.174 -15.995 1.00 0.00 C ATOM 1461 NH1 ARG A 52 16.813 18.058 -15.013 1.00 0.00 N ATOM 1462 NH2 ARG A 52 17.569 15.979 -15.706 1.00 0.00 N ATOM 0 H ARG A 52 12.556 19.571 -14.432 1.00 0.00 H new ATOM 0 HA ARG A 52 14.549 19.042 -15.240 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.275 20.289 -17.463 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.904 20.934 -17.415 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.478 17.952 -17.075 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.410 18.651 -18.680 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.675 19.009 -18.757 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.736 19.603 -17.109 1.00 0.00 H new ATOM 0 HE ARG A 52 17.098 16.803 -18.000 1.00 0.00 H new ATOM 0 HH11 ARG A 52 16.442 18.979 -15.246 1.00 0.00 H new ATOM 0 HH12 ARG A 52 16.976 17.805 -14.038 1.00 0.00 H new ATOM 0 HH21 ARG A 52 17.774 15.317 -16.454 1.00 0.00 H new ATOM 0 HH22 ARG A 52 17.735 15.717 -14.734 1.00 0.00 H new ATOM 1475 N GLN A 53 15.935 20.665 -13.943 1.00 0.00 N ATOM 1476 CA GLN A 53 16.910 21.535 -13.309 1.00 0.00 C ATOM 1477 C GLN A 53 18.146 20.734 -12.892 1.00 0.00 C ATOM 1478 O GLN A 53 19.255 21.024 -13.335 1.00 0.00 O ATOM 1479 CB GLN A 53 16.299 22.261 -12.109 1.00 0.00 C ATOM 1480 CG GLN A 53 16.874 23.672 -11.970 1.00 0.00 C ATOM 1481 CD GLN A 53 15.835 24.728 -12.350 1.00 0.00 C ATOM 1482 OE1 GLN A 53 15.654 25.069 -13.507 1.00 0.00 O ATOM 1483 NE2 GLN A 53 15.165 25.226 -11.315 1.00 0.00 N ATOM 0 H GLN A 53 15.836 19.747 -13.509 1.00 0.00 H new ATOM 0 HA GLN A 53 17.217 22.290 -14.032 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.217 22.316 -12.225 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.494 21.694 -11.199 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.204 23.834 -10.944 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.752 23.775 -12.607 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.366 24.896 -10.371 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.450 25.938 -11.465 1.00 0.00 H new ATOM 1492 N ALA A 54 17.910 19.741 -12.047 1.00 0.00 N ATOM 1493 CA ALA A 54 18.990 18.896 -11.566 1.00 0.00 C ATOM 1494 C ALA A 54 19.962 19.739 -10.739 1.00 0.00 C ATOM 1495 O ALA A 54 19.897 20.967 -10.759 1.00 0.00 O ATOM 1496 CB ALA A 54 19.673 18.216 -12.754 1.00 0.00 C ATOM 0 H ALA A 54 16.987 19.503 -11.683 1.00 0.00 H new ATOM 0 HA ALA A 54 18.603 18.110 -10.918 1.00 0.00 H new ATOM 0 HB1 ALA A 54 20.483 17.582 -12.394 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.947 17.606 -13.291 1.00 0.00 H new ATOM 0 HB3 ALA A 54 20.077 18.975 -13.425 1.00 0.00 H new ATOM 1502 N ASN A 55 20.842 19.047 -10.030 1.00 0.00 N ATOM 1503 CA ASN A 55 21.826 19.715 -9.197 1.00 0.00 C ATOM 1504 C ASN A 55 22.609 20.719 -10.047 1.00 0.00 C ATOM 1505 O ASN A 55 22.445 20.768 -11.265 1.00 0.00 O ATOM 1506 CB ASN A 55 22.824 18.715 -8.610 1.00 0.00 C ATOM 1507 CG ASN A 55 22.518 18.437 -7.137 1.00 0.00 C ATOM 1508 OD1 ASN A 55 22.337 19.337 -6.333 1.00 0.00 O ATOM 1509 ND2 ASN A 55 22.471 17.145 -6.828 1.00 0.00 N ATOM 0 H ASN A 55 20.893 18.028 -10.016 1.00 0.00 H new ATOM 0 HA ASN A 55 21.296 20.214 -8.385 1.00 0.00 H new ATOM 0 HB2 ASN A 55 22.786 17.784 -9.175 1.00 0.00 H new ATOM 0 HB3 ASN A 55 23.837 19.106 -8.707 1.00 0.00 H new ATOM 0 HD21 ASN A 55 22.274 16.857 -5.870 1.00 0.00 H new ATOM 0 HD22 ASN A 55 22.632 16.442 -7.549 1.00 0.00 H new TER 1516 ASN A 55 HETATM 1517 ZN ZN A 56 8.614 7.224 1.555 1.00 0.00 ZN HETATM 1518 ZN ZN A 57 9.789 17.855 -11.022 1.00 0.00 ZN