USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=27 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= -0.285! C(o=-0.3!,f=-5.1!) USER MOD Set 1.2: B 212 G O2' : rot 145:sc= -0.0109 USER MOD Set 2.1: A 8 ASN : amide:sc= -12.9! C(o=-19!,f=-23!) USER MOD Set 2.2: A 9 GLN : amide:sc= -0.0987 K(o=-19,f=-18) USER MOD Set 2.3: A 27 ASN : amide:sc= -5.92! C(o=-19!,f=-18!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= -0.0482 (180deg=-0.333) USER MOD Single : A 2 GLN : amide:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 159:sc= 0.287 (180deg=0.0557) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc=-0.00877 K(o=-0.0088,f=-5.2!) 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 33 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00579) 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= -2.36 K(o=-2.4,f=-1) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -120:sc= 1.18 (180deg=0.026) USER MOD Single : A 50 THR OG1 : rot -25:sc= 0.725 USER MOD Single : A 53 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.1!) USER MOD Single : A 55 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.052) USER MOD Single : B 201 G O2' : rot 11:sc= -0.509 USER MOD Single : B 202 G O2' : rot 3:sc= -0.664 USER MOD Single : B 203 A O2' : rot -6:sc= -0.42 USER MOD Single : B 204 C O2' : rot -127:sc= 1.13 USER MOD Single : B 205 U O2' : rot 5:sc= -0.76 USER MOD Single : B 206 A O2' : rot -148:sc= -1.34 USER MOD Single : B 207 G O2' : rot -17:sc= 0.681 USER MOD Single : B 208 C O2' : rot -131:sc= 0.919 USER MOD Single : B 209 G O2' : rot -45:sc= 1.58 USER MOD Single : B 210 G O2' : rot 8:sc= 0.689 USER MOD Single : B 211 A O2' : rot 180:sc= -1.27 USER MOD Single : B 213 G O2' : rot 6:sc= -1.21 USER MOD Single : B 214 C O2' : rot -2:sc= 0.42 USER MOD Single : B 215 U O2' : rot -170:sc= -2.23 USER MOD Single : B 216 A O2' : rot -148:sc= -0.487 USER MOD Single : B 217 G O2' : rot -116:sc= 0.712 USER MOD Single : B 218 U O2' : rot -10:sc= 0.562 USER MOD Single : B 219 C O2' : rot -9:sc= 0.526 USER MOD Single : B 220 C O2' : rot -18:sc= 0.508 USER MOD Single : B 220 C O3' : rot 180:sc= 0.424 USER MOD ----------------------------------------------------------------- ATOM 1 P G B 201 -1.197 -19.788 -6.864 1.00 0.00 P ATOM 2 OP1 G B 201 -2.489 -19.892 -6.150 1.00 0.00 O ATOM 3 OP2 G B 201 -0.950 -18.561 -7.655 1.00 0.00 O ATOM 4 O5' G B 201 -0.023 -19.925 -5.786 1.00 0.00 O ATOM 5 C5' G B 201 -0.320 -20.362 -4.461 1.00 0.00 C ATOM 6 C4' G B 201 0.674 -21.417 -4.027 1.00 0.00 C ATOM 7 O4' G B 201 1.089 -22.698 -4.397 1.00 0.00 O ATOM 8 C3' G B 201 2.047 -20.871 -3.647 1.00 0.00 C ATOM 9 O3' G B 201 1.889 -19.769 -2.756 1.00 0.00 O ATOM 10 C2' G B 201 2.761 -22.017 -2.987 1.00 0.00 C ATOM 11 O2' G B 201 2.235 -21.998 -1.679 1.00 0.00 O ATOM 12 C1' G B 201 2.301 -23.180 -3.862 1.00 0.00 C ATOM 13 N9 G B 201 3.258 -23.524 -4.935 1.00 0.00 N ATOM 14 C8 G B 201 3.819 -22.688 -5.832 1.00 0.00 C ATOM 15 N7 G B 201 4.641 -23.310 -6.670 1.00 0.00 N ATOM 16 C5 G B 201 4.590 -24.618 -6.269 1.00 0.00 C ATOM 17 C6 G B 201 5.239 -25.772 -6.758 1.00 0.00 C ATOM 18 O6 G B 201 6.024 -25.802 -7.704 1.00 0.00 O ATOM 19 N1 G B 201 4.975 -26.951 -6.132 1.00 0.00 N ATOM 20 C2 G B 201 4.115 -26.950 -5.089 1.00 0.00 C ATOM 21 N2 G B 201 3.962 -28.173 -4.586 1.00 0.00 N ATOM 22 N3 G B 201 3.445 -25.918 -4.542 1.00 0.00 N ATOM 23 C4 G B 201 3.752 -24.772 -5.211 1.00 0.00 C ATOM 0 H5' G B 201 -1.332 -20.766 -4.421 1.00 0.00 H new ATOM 0 H5'' G B 201 -0.287 -19.516 -3.775 1.00 0.00 H new ATOM 0 H4' G B 201 -0.254 -21.654 -3.507 1.00 0.00 H new ATOM 0 H3' G B 201 2.611 -20.505 -4.505 1.00 0.00 H new ATOM 0 H2' G B 201 3.848 -22.030 -2.907 1.00 0.00 H new ATOM 0 HO2' G B 201 1.471 -21.386 -1.643 1.00 0.00 H new ATOM 0 H1' G B 201 2.206 -24.107 -3.296 1.00 0.00 H new ATOM 0 H8 G B 201 3.621 -21.627 -5.866 1.00 0.00 H new ATOM 0 H1 G B 201 5.416 -27.816 -6.443 1.00 0.00 H new ATOM 0 H21 G B 201 3.340 -28.324 -3.792 1.00 0.00 H new ATOM 0 H22 G B 201 4.467 -28.959 -4.995 1.00 0.00 H new ATOM 35 P G B 202 2.767 -18.446 -2.954 1.00 0.00 P ATOM 36 OP1 G B 202 1.949 -17.254 -2.641 1.00 0.00 O ATOM 37 OP2 G B 202 3.438 -18.487 -4.273 1.00 0.00 O ATOM 38 O5' G B 202 3.892 -18.587 -1.825 1.00 0.00 O ATOM 39 C5' G B 202 3.603 -19.284 -0.615 1.00 0.00 C ATOM 40 C4' G B 202 4.809 -20.081 -0.173 1.00 0.00 C ATOM 41 O4' G B 202 4.992 -21.190 -0.985 1.00 0.00 O ATOM 42 C3' G B 202 6.149 -19.413 -0.471 1.00 0.00 C ATOM 43 O3' G B 202 6.467 -18.502 0.579 1.00 0.00 O ATOM 44 C2' G B 202 7.144 -20.537 -0.546 1.00 0.00 C ATOM 45 O2' G B 202 7.430 -20.790 0.810 1.00 0.00 O ATOM 46 C1' G B 202 6.314 -21.605 -1.252 1.00 0.00 C ATOM 47 N9 G B 202 6.566 -21.683 -2.706 1.00 0.00 N ATOM 48 C8 G B 202 6.177 -20.802 -3.653 1.00 0.00 C ATOM 49 N7 G B 202 6.562 -21.160 -4.874 1.00 0.00 N ATOM 50 C5 G B 202 7.234 -22.337 -4.676 1.00 0.00 C ATOM 51 C6 G B 202 7.879 -23.209 -5.578 1.00 0.00 C ATOM 52 O6 G B 202 7.955 -23.047 -6.795 1.00 0.00 O ATOM 53 N1 G B 202 8.467 -24.322 -5.061 1.00 0.00 N ATOM 54 C2 G B 202 8.399 -24.527 -3.727 1.00 0.00 C ATOM 55 N2 G B 202 9.018 -25.653 -3.378 1.00 0.00 N ATOM 56 N3 G B 202 7.815 -23.770 -2.780 1.00 0.00 N ATOM 57 C4 G B 202 7.248 -22.675 -3.359 1.00 0.00 C ATOM 0 H5' G B 202 2.753 -19.949 -0.764 1.00 0.00 H new ATOM 0 H5'' G B 202 3.321 -18.575 0.163 1.00 0.00 H new ATOM 0 H4' G B 202 4.600 -20.244 0.884 1.00 0.00 H new ATOM 0 H3' G B 202 6.141 -18.839 -1.397 1.00 0.00 H new ATOM 0 H2' G B 202 8.094 -20.412 -1.066 1.00 0.00 H new ATOM 0 HO2' G B 202 6.878 -20.210 1.375 1.00 0.00 H new ATOM 0 H1' G B 202 6.551 -22.608 -0.898 1.00 0.00 H new ATOM 0 H8 G B 202 5.615 -19.905 -3.441 1.00 0.00 H new ATOM 0 H1 G B 202 8.948 -24.987 -5.667 1.00 0.00 H new ATOM 0 H21 G B 202 9.047 -25.937 -2.399 1.00 0.00 H new ATOM 0 H22 G B 202 9.463 -26.232 -4.090 1.00 0.00 H new ATOM 69 P A B 203 7.028 -17.044 0.229 1.00 0.00 P ATOM 70 OP1 A B 203 6.445 -16.050 1.158 1.00 0.00 O ATOM 71 OP2 A B 203 6.885 -16.790 -1.222 1.00 0.00 O ATOM 72 O5' A B 203 8.589 -17.171 0.557 1.00 0.00 O ATOM 73 C5' A B 203 9.036 -18.086 1.556 1.00 0.00 C ATOM 74 C4' A B 203 10.388 -18.646 1.179 1.00 0.00 C ATOM 75 O4' A B 203 10.219 -19.547 0.186 1.00 0.00 O ATOM 76 C3' A B 203 11.286 -17.671 0.422 1.00 0.00 C ATOM 77 O3' A B 203 12.039 -16.897 1.354 1.00 0.00 O ATOM 78 C2' A B 203 12.178 -18.532 -0.429 1.00 0.00 C ATOM 79 O2' A B 203 13.207 -18.890 0.466 1.00 0.00 O ATOM 80 C1' A B 203 11.215 -19.654 -0.805 1.00 0.00 C ATOM 81 N9 A B 203 10.640 -19.508 -2.158 1.00 0.00 N ATOM 82 C8 A B 203 9.683 -18.641 -2.553 1.00 0.00 C ATOM 83 N7 A B 203 9.383 -18.761 -3.842 1.00 0.00 N ATOM 84 C5 A B 203 10.203 -19.767 -4.278 1.00 0.00 C ATOM 85 C6 A B 203 10.360 -20.360 -5.549 1.00 0.00 C ATOM 86 N6 A B 203 9.661 -20.002 -6.657 1.00 0.00 N ATOM 87 N1 A B 203 11.278 -21.358 -5.665 1.00 0.00 N ATOM 88 C2 A B 203 11.979 -21.721 -4.567 1.00 0.00 C ATOM 89 N3 A B 203 11.911 -21.229 -3.316 1.00 0.00 N ATOM 90 C4 A B 203 10.979 -20.237 -3.267 1.00 0.00 C ATOM 0 H5' A B 203 8.316 -18.897 1.666 1.00 0.00 H new ATOM 0 H5'' A B 203 9.099 -17.582 2.520 1.00 0.00 H new ATOM 0 H4' A B 203 10.806 -18.978 2.129 1.00 0.00 H new ATOM 0 H3' A B 203 10.725 -16.967 -0.192 1.00 0.00 H new ATOM 0 H2' A B 203 12.646 -18.138 -1.331 1.00 0.00 H new ATOM 0 HO2' A B 203 13.088 -18.408 1.311 1.00 0.00 H new ATOM 0 H1' A B 203 11.710 -20.624 -0.841 1.00 0.00 H new ATOM 0 H8 A B 203 9.212 -17.927 -1.893 1.00 0.00 H new ATOM 0 H61 A B 203 9.831 -20.478 -7.543 1.00 0.00 H new ATOM 0 H62 A B 203 8.966 -19.257 -6.603 1.00 0.00 H new ATOM 0 H2 A B 203 12.694 -22.517 -4.715 1.00 0.00 H new ATOM 102 P C B 204 12.582 -15.451 0.938 1.00 0.00 P ATOM 103 OP1 C B 204 13.225 -14.806 2.106 1.00 0.00 O ATOM 104 OP2 C B 204 11.513 -14.697 0.246 1.00 0.00 O ATOM 105 O5' C B 204 13.723 -15.789 -0.131 1.00 0.00 O ATOM 106 C5' C B 204 14.918 -16.446 0.285 1.00 0.00 C ATOM 107 C4' C B 204 15.617 -17.056 -0.910 1.00 0.00 C ATOM 108 O4' C B 204 15.014 -17.811 -1.591 1.00 0.00 O ATOM 109 C3' C B 204 16.169 -16.040 -1.904 1.00 0.00 C ATOM 110 O3' C B 204 17.454 -15.601 -1.470 1.00 0.00 O ATOM 111 C2' C B 204 16.249 -16.770 -3.216 1.00 0.00 C ATOM 112 O2' C B 204 17.599 -17.175 -3.264 1.00 0.00 O ATOM 113 C1' C B 204 15.237 -17.889 -2.981 1.00 0.00 C ATOM 114 N1 C B 204 13.978 -17.712 -3.734 1.00 0.00 N ATOM 115 C2 C B 204 13.840 -18.404 -4.937 1.00 0.00 C ATOM 116 O2 C B 204 14.769 -19.127 -5.313 1.00 0.00 O ATOM 117 N3 C B 204 12.703 -18.260 -5.640 1.00 0.00 N ATOM 118 C4 C B 204 11.722 -17.485 -5.223 1.00 0.00 C ATOM 119 N4 C B 204 10.607 -17.356 -5.932 1.00 0.00 N ATOM 120 C5 C B 204 11.839 -16.757 -3.981 1.00 0.00 C ATOM 121 C6 C B 204 12.979 -16.911 -3.290 1.00 0.00 C ATOM 0 H5' C B 204 14.681 -17.222 1.013 1.00 0.00 H new ATOM 0 H5'' C B 204 15.580 -15.735 0.780 1.00 0.00 H new ATOM 0 H4' C B 204 16.385 -17.598 -0.359 1.00 0.00 H new ATOM 0 H3' C B 204 15.545 -15.151 -1.992 1.00 0.00 H new ATOM 0 H2' C B 204 16.021 -16.265 -4.154 1.00 0.00 H new ATOM 0 HO2' C B 204 18.000 -16.879 -4.108 1.00 0.00 H new ATOM 0 H1' C B 204 15.607 -18.855 -3.324 1.00 0.00 H new ATOM 0 H41 C B 204 9.856 -16.753 -5.596 1.00 0.00 H new ATOM 0 H42 C B 204 10.501 -17.860 -6.812 1.00 0.00 H new ATOM 0 H5 C B 204 11.045 -16.118 -3.625 1.00 0.00 H new ATOM 0 H6 C B 204 13.104 -16.383 -2.356 1.00 0.00 H new ATOM 133 P U B 205 17.751 -14.039 -1.296 1.00 0.00 P ATOM 134 OP1 U B 205 18.863 -13.846 -0.339 1.00 0.00 O ATOM 135 OP2 U B 205 16.486 -13.319 -1.027 1.00 0.00 O ATOM 136 O5' U B 205 18.267 -13.606 -2.748 1.00 0.00 O ATOM 137 C5' U B 205 19.378 -14.279 -3.339 1.00 0.00 C ATOM 138 C4' U B 205 19.039 -14.699 -4.751 1.00 0.00 C ATOM 139 O4' U B 205 18.334 -15.583 -5.299 1.00 0.00 O ATOM 140 C3' U B 205 18.963 -13.547 -5.750 1.00 0.00 C ATOM 141 O3' U B 205 20.198 -12.833 -5.744 1.00 0.00 O ATOM 142 C2' U B 205 18.707 -14.194 -7.083 1.00 0.00 C ATOM 143 O2' U B 205 20.009 -14.413 -7.577 1.00 0.00 O ATOM 144 C1' U B 205 17.951 -15.447 -6.649 1.00 0.00 C ATOM 145 N1 U B 205 16.484 -15.325 -6.779 1.00 0.00 N ATOM 146 C2 U B 205 15.922 -15.920 -7.866 1.00 0.00 C ATOM 147 O2 U B 205 16.560 -16.530 -8.710 1.00 0.00 O ATOM 148 N3 U B 205 14.555 -15.807 -7.988 1.00 0.00 N ATOM 149 C4 U B 205 13.765 -15.140 -7.087 1.00 0.00 C ATOM 150 O4 U B 205 12.553 -15.104 -7.297 1.00 0.00 O ATOM 151 C5 U B 205 14.402 -14.539 -5.970 1.00 0.00 C ATOM 152 C6 U B 205 15.728 -14.660 -5.871 1.00 0.00 C ATOM 0 H5' U B 205 19.642 -15.154 -2.744 1.00 0.00 H new ATOM 0 H5'' U B 205 20.249 -13.624 -3.345 1.00 0.00 H new ATOM 0 H4' U B 205 19.832 -15.374 -4.430 1.00 0.00 H new ATOM 0 H3' U B 205 18.180 -12.828 -5.510 1.00 0.00 H new ATOM 0 H2' U B 205 18.141 -13.678 -7.859 1.00 0.00 H new ATOM 0 HO2' U B 205 20.665 -14.168 -6.891 1.00 0.00 H new ATOM 0 H1' U B 205 18.192 -16.308 -7.273 1.00 0.00 H new ATOM 0 H3 U B 205 14.105 -16.243 -8.793 1.00 0.00 H new ATOM 0 H5 U B 205 13.833 -14.002 -5.225 1.00 0.00 H new ATOM 0 H6 U B 205 16.223 -14.206 -5.026 1.00 0.00 H new ATOM 163 P A B 206 20.211 -11.261 -5.442 1.00 0.00 P ATOM 164 OP1 A B 206 21.504 -10.882 -4.833 1.00 0.00 O ATOM 165 OP2 A B 206 18.978 -10.883 -4.718 1.00 0.00 O ATOM 166 O5' A B 206 20.144 -10.614 -6.904 1.00 0.00 O ATOM 167 C5' A B 206 20.712 -11.303 -8.016 1.00 0.00 C ATOM 168 C4' A B 206 19.851 -11.107 -9.244 1.00 0.00 C ATOM 169 O4' A B 206 18.774 -11.729 -9.468 1.00 0.00 O ATOM 170 C3' A B 206 19.360 -9.677 -9.447 1.00 0.00 C ATOM 171 O3' A B 206 20.462 -8.843 -9.804 1.00 0.00 O ATOM 172 C2' A B 206 18.349 -9.758 -10.556 1.00 0.00 C ATOM 173 O2' A B 206 19.133 -9.547 -11.708 1.00 0.00 O ATOM 174 C1' A B 206 17.834 -11.182 -10.367 1.00 0.00 C ATOM 175 N9 A B 206 16.465 -11.245 -9.812 1.00 0.00 N ATOM 176 C8 A B 206 16.094 -11.080 -8.525 1.00 0.00 C ATOM 177 N7 A B 206 14.782 -11.198 -8.351 1.00 0.00 N ATOM 178 C5 A B 206 14.305 -11.453 -9.607 1.00 0.00 C ATOM 179 C6 A B 206 12.995 -11.675 -10.084 1.00 0.00 C ATOM 180 N6 A B 206 11.883 -11.673 -9.304 1.00 0.00 N ATOM 181 N1 A B 206 12.844 -11.906 -11.416 1.00 0.00 N ATOM 182 C2 A B 206 13.945 -11.909 -12.201 1.00 0.00 C ATOM 183 N3 A B 206 15.231 -11.711 -11.857 1.00 0.00 N ATOM 184 C4 A B 206 15.315 -11.486 -10.516 1.00 0.00 C ATOM 0 H5' A B 206 20.799 -12.366 -7.789 1.00 0.00 H new ATOM 0 H5'' A B 206 21.720 -10.934 -8.206 1.00 0.00 H new ATOM 0 H4' A B 206 20.630 -11.513 -9.890 1.00 0.00 H new ATOM 0 H3' A B 206 18.917 -9.249 -8.548 1.00 0.00 H new ATOM 0 H2' A B 206 17.506 -9.068 -10.598 1.00 0.00 H new ATOM 0 HO2' A B 206 18.600 -9.081 -12.385 1.00 0.00 H new ATOM 0 H1' A B 206 17.751 -11.717 -11.313 1.00 0.00 H new ATOM 0 H8 A B 206 16.788 -10.874 -7.724 1.00 0.00 H new ATOM 0 H61 A B 206 10.967 -11.842 -9.721 1.00 0.00 H new ATOM 0 H62 A B 206 11.964 -11.503 -8.302 1.00 0.00 H new ATOM 0 H2 A B 206 13.768 -12.096 -13.250 1.00 0.00 H new ATOM 196 P G B 207 20.624 -7.401 -9.132 1.00 0.00 P ATOM 197 OP1 G B 207 22.059 -7.044 -9.056 1.00 0.00 O ATOM 198 OP2 G B 207 19.839 -7.344 -7.879 1.00 0.00 O ATOM 199 O5' G B 207 19.929 -6.428 -10.196 1.00 0.00 O ATOM 200 C5' G B 207 19.942 -6.762 -11.582 1.00 0.00 C ATOM 201 C4' G B 207 18.530 -6.780 -12.125 1.00 0.00 C ATOM 202 O4' G B 207 17.623 -7.592 -12.071 1.00 0.00 O ATOM 203 C3' G B 207 17.777 -5.462 -11.965 1.00 0.00 C ATOM 204 O3' G B 207 18.478 -4.428 -12.653 1.00 0.00 O ATOM 205 C2' G B 207 16.421 -5.705 -12.567 1.00 0.00 C ATOM 206 O2' G B 207 16.583 -5.248 -13.890 1.00 0.00 O ATOM 207 C1' G B 207 16.305 -7.218 -12.405 1.00 0.00 C ATOM 208 N9 G B 207 15.351 -7.627 -11.353 1.00 0.00 N ATOM 209 C8 G B 207 15.556 -7.632 -10.019 1.00 0.00 C ATOM 210 N7 G B 207 14.496 -8.057 -9.339 1.00 0.00 N ATOM 211 C5 G B 207 13.572 -8.335 -10.311 1.00 0.00 C ATOM 212 C6 G B 207 12.249 -8.820 -10.232 1.00 0.00 C ATOM 213 O6 G B 207 11.653 -9.099 -9.193 1.00 0.00 O ATOM 214 N1 G B 207 11.576 -8.996 -11.402 1.00 0.00 N ATOM 215 C2 G B 207 12.207 -8.698 -12.560 1.00 0.00 C ATOM 216 N2 G B 207 11.420 -8.922 -13.610 1.00 0.00 N ATOM 217 N3 G B 207 13.455 -8.233 -12.751 1.00 0.00 N ATOM 218 C4 G B 207 14.073 -8.080 -11.548 1.00 0.00 C ATOM 0 H5' G B 207 20.407 -7.737 -11.725 1.00 0.00 H new ATOM 0 H5'' G B 207 20.543 -6.038 -12.133 1.00 0.00 H new ATOM 0 H4' G B 207 19.058 -7.143 -13.007 1.00 0.00 H new ATOM 0 H3' G B 207 17.690 -5.146 -10.925 1.00 0.00 H new ATOM 0 H2' G B 207 15.531 -5.227 -12.158 1.00 0.00 H new ATOM 0 HO2' G B 207 17.384 -4.686 -13.946 1.00 0.00 H new ATOM 0 H1' G B 207 15.916 -7.697 -13.303 1.00 0.00 H new ATOM 0 H8 G B 207 16.481 -7.324 -9.554 1.00 0.00 H new ATOM 0 H1 G B 207 10.617 -9.345 -11.405 1.00 0.00 H new ATOM 0 H21 G B 207 11.764 -8.741 -14.553 1.00 0.00 H new ATOM 0 H22 G B 207 10.473 -9.275 -13.471 1.00 0.00 H new ATOM 230 P C B 208 18.992 -3.141 -11.853 1.00 0.00 P ATOM 231 OP1 C B 208 20.119 -2.518 -12.583 1.00 0.00 O ATOM 232 OP2 C B 208 19.208 -3.491 -10.432 1.00 0.00 O ATOM 233 O5' C B 208 17.742 -2.145 -11.932 1.00 0.00 O ATOM 234 C5' C B 208 17.566 -1.311 -13.076 1.00 0.00 C ATOM 235 C4' C B 208 16.202 -1.545 -13.685 1.00 0.00 C ATOM 236 O4' C B 208 15.581 -2.430 -13.871 1.00 0.00 O ATOM 237 C3' C B 208 15.265 -0.343 -13.613 1.00 0.00 C ATOM 238 O3' C B 208 15.477 0.492 -14.749 1.00 0.00 O ATOM 239 C2' C B 208 13.877 -0.921 -13.604 1.00 0.00 C ATOM 240 O2' C B 208 13.317 -0.400 -14.789 1.00 0.00 O ATOM 241 C1' C B 208 14.192 -2.414 -13.630 1.00 0.00 C ATOM 242 N1 C B 208 13.861 -3.107 -12.368 1.00 0.00 N ATOM 243 C2 C B 208 12.626 -3.748 -12.284 1.00 0.00 C ATOM 244 O2 C B 208 11.871 -3.708 -13.262 1.00 0.00 O ATOM 245 N3 C B 208 12.302 -4.386 -11.145 1.00 0.00 N ATOM 246 C4 C B 208 13.120 -4.420 -10.111 1.00 0.00 C ATOM 247 N4 C B 208 12.783 -5.055 -8.996 1.00 0.00 N ATOM 248 C5 C B 208 14.406 -3.764 -10.172 1.00 0.00 C ATOM 249 C6 C B 208 14.714 -3.131 -11.314 1.00 0.00 C ATOM 0 H5' C B 208 18.342 -1.521 -13.812 1.00 0.00 H new ATOM 0 H5'' C B 208 17.671 -0.264 -12.792 1.00 0.00 H new ATOM 0 H4' C B 208 16.928 -1.900 -14.417 1.00 0.00 H new ATOM 0 H3' C B 208 15.434 0.275 -12.731 1.00 0.00 H new ATOM 0 H2' C B 208 13.185 -0.709 -12.789 1.00 0.00 H new ATOM 0 HO2' C B 208 12.437 -0.015 -14.593 1.00 0.00 H new ATOM 0 H1' C B 208 13.601 -2.945 -14.376 1.00 0.00 H new ATOM 0 H41 C B 208 13.426 -5.073 -8.205 1.00 0.00 H new ATOM 0 H42 C B 208 11.880 -5.526 -8.930 1.00 0.00 H new ATOM 0 H5 C B 208 15.089 -3.782 -9.335 1.00 0.00 H new ATOM 0 H6 C B 208 15.666 -2.627 -11.396 1.00 0.00 H new ATOM 261 P G B 209 15.148 2.056 -14.667 1.00 0.00 P ATOM 262 OP1 G B 209 16.230 2.829 -15.316 1.00 0.00 O ATOM 263 OP2 G B 209 14.791 2.416 -13.277 1.00 0.00 O ATOM 264 O5' G B 209 13.833 2.194 -15.567 1.00 0.00 O ATOM 265 C5' G B 209 12.816 3.126 -15.204 1.00 0.00 C ATOM 266 C4' G B 209 11.590 2.392 -14.711 1.00 0.00 C ATOM 267 O4' G B 209 11.813 1.395 -14.000 1.00 0.00 O ATOM 268 C3' G B 209 10.700 3.206 -13.776 1.00 0.00 C ATOM 269 O3' G B 209 9.842 4.044 -14.547 1.00 0.00 O ATOM 270 C2' G B 209 9.919 2.192 -12.987 1.00 0.00 C ATOM 271 O2' G B 209 8.748 2.037 -13.755 1.00 0.00 O ATOM 272 C1' G B 209 10.883 1.009 -13.014 1.00 0.00 C ATOM 273 N9 G B 209 11.548 0.762 -11.718 1.00 0.00 N ATOM 274 C8 G B 209 12.590 1.437 -11.190 1.00 0.00 C ATOM 275 N7 G B 209 12.959 0.966 -10.003 1.00 0.00 N ATOM 276 C5 G B 209 12.092 -0.070 -9.777 1.00 0.00 C ATOM 277 C6 G B 209 11.967 -0.965 -8.694 1.00 0.00 C ATOM 278 O6 G B 209 12.673 -0.967 -7.686 1.00 0.00 O ATOM 279 N1 G B 209 10.985 -1.904 -8.767 1.00 0.00 N ATOM 280 C2 G B 209 10.193 -1.925 -9.863 1.00 0.00 C ATOM 281 N2 G B 209 9.286 -2.896 -9.785 1.00 0.00 N ATOM 282 N3 G B 209 10.222 -1.127 -10.947 1.00 0.00 N ATOM 283 C4 G B 209 11.222 -0.213 -10.811 1.00 0.00 C ATOM 0 H5' G B 209 12.557 3.746 -16.062 1.00 0.00 H new ATOM 0 H5'' G B 209 13.186 3.795 -14.427 1.00 0.00 H new ATOM 0 H4' G B 209 11.135 2.148 -15.671 1.00 0.00 H new ATOM 0 H3' G B 209 11.267 3.860 -13.113 1.00 0.00 H new ATOM 0 H2' G B 209 9.617 2.391 -11.959 1.00 0.00 H new ATOM 0 HO2' G B 209 8.418 2.918 -14.029 1.00 0.00 H new ATOM 0 H1' G B 209 10.373 0.069 -13.222 1.00 0.00 H new ATOM 0 H8 G B 209 13.072 2.270 -11.679 1.00 0.00 H new ATOM 0 H1 G B 209 10.849 -2.577 -8.012 1.00 0.00 H new ATOM 0 H21 G B 209 8.618 -3.032 -10.544 1.00 0.00 H new ATOM 0 H22 G B 209 9.259 -3.504 -8.967 1.00 0.00 H new ATOM 295 P G B 210 10.141 5.612 -14.658 1.00 0.00 P ATOM 296 OP1 G B 210 9.566 6.141 -15.916 1.00 0.00 O ATOM 297 OP2 G B 210 11.578 5.863 -14.405 1.00 0.00 O ATOM 298 O5' G B 210 9.309 6.224 -13.437 1.00 0.00 O ATOM 299 C5' G B 210 9.494 5.710 -12.120 1.00 0.00 C ATOM 300 C4' G B 210 8.246 5.934 -11.296 1.00 0.00 C ATOM 301 O4' G B 210 7.622 6.221 -10.103 1.00 0.00 O ATOM 302 C3' G B 210 6.956 5.997 -12.108 1.00 0.00 C ATOM 303 O3' G B 210 6.185 4.823 -11.866 1.00 0.00 O ATOM 304 C2' G B 210 6.245 7.233 -11.630 1.00 0.00 C ATOM 305 O2' G B 210 4.893 6.830 -11.626 1.00 0.00 O ATOM 306 C1' G B 210 6.879 7.411 -10.254 1.00 0.00 C ATOM 307 N9 G B 210 7.752 8.599 -10.156 1.00 0.00 N ATOM 308 C8 G B 210 8.836 8.884 -10.908 1.00 0.00 C ATOM 309 N7 G B 210 9.406 10.037 -10.570 1.00 0.00 N ATOM 310 C5 G B 210 8.628 10.499 -9.543 1.00 0.00 C ATOM 311 C6 G B 210 8.712 11.671 -8.761 1.00 0.00 C ATOM 312 O6 G B 210 9.568 12.546 -8.878 1.00 0.00 O ATOM 313 N1 G B 210 7.770 11.849 -7.796 1.00 0.00 N ATOM 314 C2 G B 210 6.816 10.903 -7.643 1.00 0.00 C ATOM 315 N2 G B 210 5.972 11.219 -6.664 1.00 0.00 N ATOM 316 N3 G B 210 6.640 9.756 -8.326 1.00 0.00 N ATOM 317 C4 G B 210 7.612 9.637 -9.273 1.00 0.00 C ATOM 0 H5' G B 210 10.345 6.199 -11.646 1.00 0.00 H new ATOM 0 H5'' G B 210 9.723 4.645 -12.165 1.00 0.00 H new ATOM 0 H4' G B 210 9.223 5.724 -10.861 1.00 0.00 H new ATOM 0 H3' G B 210 7.133 6.042 -13.183 1.00 0.00 H new ATOM 0 H2' G B 210 6.311 8.169 -12.185 1.00 0.00 H new ATOM 0 HO2' G B 210 4.838 5.867 -11.801 1.00 0.00 H new ATOM 0 H1' G B 210 6.132 7.577 -9.478 1.00 0.00 H new ATOM 0 H8 G B 210 9.201 8.245 -11.698 1.00 0.00 H new ATOM 0 H1 G B 210 7.783 12.677 -7.201 1.00 0.00 H new ATOM 0 H21 G B 210 5.199 10.594 -6.436 1.00 0.00 H new ATOM 0 H22 G B 210 6.098 12.086 -6.142 1.00 0.00 H new ATOM 329 P A B 211 6.030 3.717 -13.012 1.00 0.00 P ATOM 330 OP1 A B 211 7.139 3.846 -13.983 1.00 0.00 O ATOM 331 OP2 A B 211 4.650 3.740 -13.545 1.00 0.00 O ATOM 332 O5' A B 211 6.229 2.343 -12.215 1.00 0.00 O ATOM 333 C5' A B 211 6.993 2.321 -11.012 1.00 0.00 C ATOM 334 C4' A B 211 6.076 2.201 -9.816 1.00 0.00 C ATOM 335 O4' A B 211 5.859 2.599 -8.490 1.00 0.00 O ATOM 336 C3' A B 211 4.785 1.435 -10.085 1.00 0.00 C ATOM 337 O3' A B 211 4.968 0.062 -9.746 1.00 0.00 O ATOM 338 C2' A B 211 3.747 2.086 -9.213 1.00 0.00 C ATOM 339 O2' A B 211 2.776 1.073 -9.077 1.00 0.00 O ATOM 340 C1' A B 211 4.571 2.378 -7.962 1.00 0.00 C ATOM 341 N9 A B 211 4.094 3.554 -7.204 1.00 0.00 N ATOM 342 C8 A B 211 4.143 4.848 -7.583 1.00 0.00 C ATOM 343 N7 A B 211 3.631 5.669 -6.672 1.00 0.00 N ATOM 344 C5 A B 211 3.238 4.834 -5.661 1.00 0.00 C ATOM 345 C6 A B 211 2.624 5.095 -4.418 1.00 0.00 C ATOM 346 N6 A B 211 2.289 6.332 -3.971 1.00 0.00 N ATOM 347 N1 A B 211 2.353 4.028 -3.616 1.00 0.00 N ATOM 348 C2 A B 211 2.683 2.793 -4.053 1.00 0.00 C ATOM 349 N3 A B 211 3.266 2.429 -5.211 1.00 0.00 N ATOM 350 C4 A B 211 3.511 3.537 -5.964 1.00 0.00 C ATOM 0 H5' A B 211 7.588 3.231 -10.934 1.00 0.00 H new ATOM 0 H5'' A B 211 7.691 1.484 -11.030 1.00 0.00 H new ATOM 0 H4' A B 211 7.103 2.562 -9.761 1.00 0.00 H new ATOM 0 H3' A B 211 4.485 1.464 -11.133 1.00 0.00 H new ATOM 0 H2' A B 211 3.235 2.994 -9.531 1.00 0.00 H new ATOM 0 HO2' A B 211 2.041 1.397 -8.515 1.00 0.00 H new ATOM 0 H1' A B 211 4.516 1.567 -7.236 1.00 0.00 H new ATOM 0 H8 A B 211 4.554 5.181 -8.525 1.00 0.00 H new ATOM 0 H61 A B 211 1.846 6.442 -3.059 1.00 0.00 H new ATOM 0 H62 A B 211 2.480 7.152 -4.547 1.00 0.00 H new ATOM 0 H2 A B 211 2.446 1.984 -3.379 1.00 0.00 H new ATOM 362 P G B 212 4.075 -1.062 -10.453 1.00 0.00 P ATOM 363 OP1 G B 212 4.924 -2.223 -10.803 1.00 0.00 O ATOM 364 OP2 G B 212 3.271 -0.453 -11.536 1.00 0.00 O ATOM 365 O5' G B 212 3.076 -1.514 -9.289 1.00 0.00 O ATOM 366 C5' G B 212 3.142 -2.839 -8.766 1.00 0.00 C ATOM 367 C4' G B 212 4.497 -3.084 -8.142 1.00 0.00 C ATOM 368 O4' G B 212 5.125 -2.182 -7.899 1.00 0.00 O ATOM 369 C3' G B 212 4.465 -3.953 -6.888 1.00 0.00 C ATOM 370 O3' G B 212 4.814 -5.293 -7.231 1.00 0.00 O ATOM 371 C2' G B 212 5.474 -3.342 -5.955 1.00 0.00 C ATOM 372 O2' G B 212 6.335 -4.424 -5.677 1.00 0.00 O ATOM 373 C1' G B 212 6.060 -2.250 -6.846 1.00 0.00 C ATOM 374 N9 G B 212 6.194 -0.944 -6.166 1.00 0.00 N ATOM 375 C8 G B 212 5.201 -0.163 -5.690 1.00 0.00 C ATOM 376 N7 G B 212 5.653 0.955 -5.131 1.00 0.00 N ATOM 377 C5 G B 212 7.012 0.865 -5.265 1.00 0.00 C ATOM 378 C6 G B 212 8.050 1.735 -4.873 1.00 0.00 C ATOM 379 O6 G B 212 7.899 2.811 -4.297 1.00 0.00 O ATOM 380 N1 G B 212 9.327 1.355 -5.155 1.00 0.00 N ATOM 381 C2 G B 212 9.524 0.177 -5.788 1.00 0.00 C ATOM 382 N2 G B 212 10.820 -0.052 -5.991 1.00 0.00 N ATOM 383 N3 G B 212 8.616 -0.725 -6.205 1.00 0.00 N ATOM 384 C4 G B 212 7.365 -0.287 -5.895 1.00 0.00 C ATOM 0 H5' G B 212 2.963 -3.562 -9.562 1.00 0.00 H new ATOM 0 H5'' G B 212 2.359 -2.984 -8.022 1.00 0.00 H new ATOM 0 H4' G B 212 4.974 -3.607 -8.971 1.00 0.00 H new ATOM 0 H3' G B 212 3.480 -3.991 -6.423 1.00 0.00 H new ATOM 0 H2' G B 212 5.168 -2.909 -5.003 1.00 0.00 H new ATOM 0 HO2' G B 212 7.253 -4.095 -5.581 1.00 0.00 H new ATOM 0 H1' G B 212 7.078 -2.480 -7.162 1.00 0.00 H new ATOM 0 H8 G B 212 4.154 -0.419 -5.756 1.00 0.00 H new ATOM 0 H1 G B 212 10.117 1.946 -4.895 1.00 0.00 H new ATOM 0 H21 G B 212 11.119 -0.907 -6.460 1.00 0.00 H new ATOM 0 H22 G B 212 11.513 0.627 -5.677 1.00 0.00 H new ATOM 396 P G B 213 3.881 -6.506 -6.767 1.00 0.00 P ATOM 397 OP1 G B 213 2.798 -5.997 -5.897 1.00 0.00 O ATOM 398 OP2 G B 213 4.720 -7.607 -6.241 1.00 0.00 O ATOM 399 O5' G B 213 3.223 -7.000 -8.139 1.00 0.00 O ATOM 400 C5' G B 213 2.319 -6.150 -8.842 1.00 0.00 C ATOM 401 C4' G B 213 2.667 -6.124 -10.313 1.00 0.00 C ATOM 402 O4' G B 213 3.504 -5.359 -10.727 1.00 0.00 O ATOM 403 C3' G B 213 3.034 -7.485 -10.898 1.00 0.00 C ATOM 404 O3' G B 213 1.856 -8.122 -11.389 1.00 0.00 O ATOM 405 C2' G B 213 4.005 -7.191 -12.007 1.00 0.00 C ATOM 406 O2' G B 213 3.179 -7.181 -13.149 1.00 0.00 O ATOM 407 C1' G B 213 4.533 -5.828 -11.569 1.00 0.00 C ATOM 408 N9 G B 213 5.821 -5.898 -10.849 1.00 0.00 N ATOM 409 C8 G B 213 6.036 -6.344 -9.594 1.00 0.00 C ATOM 410 N7 G B 213 7.314 -6.278 -9.237 1.00 0.00 N ATOM 411 C5 G B 213 7.937 -5.757 -10.340 1.00 0.00 C ATOM 412 C6 G B 213 9.291 -5.446 -10.590 1.00 0.00 C ATOM 413 O6 G B 213 10.215 -5.603 -9.795 1.00 0.00 O ATOM 414 N1 G B 213 9.599 -4.930 -11.811 1.00 0.00 N ATOM 415 C2 G B 213 8.601 -4.747 -12.705 1.00 0.00 C ATOM 416 N2 G B 213 9.061 -4.237 -13.845 1.00 0.00 N ATOM 417 N3 G B 213 7.287 -5.005 -12.575 1.00 0.00 N ATOM 418 C4 G B 213 7.044 -5.517 -11.336 1.00 0.00 C ATOM 0 H5' G B 213 2.363 -5.141 -8.432 1.00 0.00 H new ATOM 0 H5'' G B 213 1.297 -6.504 -8.708 1.00 0.00 H new ATOM 0 H4' G B 213 1.702 -5.747 -10.651 1.00 0.00 H new ATOM 0 H3' G B 213 3.476 -8.158 -10.164 1.00 0.00 H new ATOM 0 H2' G B 213 4.843 -7.858 -12.210 1.00 0.00 H new ATOM 0 HO2' G B 213 2.241 -7.260 -12.875 1.00 0.00 H new ATOM 0 H1' G B 213 4.750 -5.180 -12.418 1.00 0.00 H new ATOM 0 H8 G B 213 5.253 -6.715 -8.949 1.00 0.00 H new ATOM 0 H1 G B 213 10.561 -4.687 -12.047 1.00 0.00 H new ATOM 0 H21 G B 213 8.419 -4.045 -14.614 1.00 0.00 H new ATOM 0 H22 G B 213 10.056 -4.038 -13.950 1.00 0.00 H new ATOM 430 P C B 214 1.743 -9.718 -11.369 1.00 0.00 P ATOM 431 OP1 C B 214 0.415 -10.130 -11.874 1.00 0.00 O ATOM 432 OP2 C B 214 2.158 -10.230 -10.044 1.00 0.00 O ATOM 433 O5' C B 214 2.842 -10.171 -12.440 1.00 0.00 O ATOM 434 C5' C B 214 2.657 -9.870 -13.822 1.00 0.00 C ATOM 435 C4' C B 214 3.996 -9.732 -14.509 1.00 0.00 C ATOM 436 O4' C B 214 4.955 -8.801 -14.414 1.00 0.00 O ATOM 437 C3' C B 214 4.802 -11.026 -14.583 1.00 0.00 C ATOM 438 O3' C B 214 4.145 -11.944 -15.456 1.00 0.00 O ATOM 439 C2' C B 214 6.149 -10.624 -15.118 1.00 0.00 C ATOM 440 O2' C B 214 5.951 -10.656 -16.513 1.00 0.00 O ATOM 441 C1' C B 214 6.293 -9.234 -14.507 1.00 0.00 C ATOM 442 N1 C B 214 6.948 -9.237 -13.182 1.00 0.00 N ATOM 443 C2 C B 214 8.261 -8.773 -13.107 1.00 0.00 C ATOM 444 O2 C B 214 8.811 -8.384 -14.142 1.00 0.00 O ATOM 445 N3 C B 214 8.877 -8.766 -11.911 1.00 0.00 N ATOM 446 C4 C B 214 8.275 -9.185 -10.817 1.00 0.00 C ATOM 447 N4 C B 214 8.900 -9.170 -9.646 1.00 0.00 N ATOM 448 C5 C B 214 6.914 -9.671 -10.868 1.00 0.00 C ATOM 449 C6 C B 214 6.313 -9.671 -12.067 1.00 0.00 C ATOM 0 H5' C B 214 2.089 -8.946 -13.928 1.00 0.00 H new ATOM 0 H5'' C B 214 2.075 -10.659 -14.299 1.00 0.00 H new ATOM 0 H4' C B 214 3.391 -9.319 -15.316 1.00 0.00 H new ATOM 0 H3' C B 214 4.900 -11.522 -13.617 1.00 0.00 H new ATOM 0 H2' C B 214 7.040 -11.212 -14.897 1.00 0.00 H new ATOM 0 HO2' C B 214 5.036 -10.950 -16.707 1.00 0.00 H new ATOM 0 H1' C B 214 6.934 -8.587 -15.106 1.00 0.00 H new ATOM 0 H41 C B 214 8.420 -9.498 -8.808 1.00 0.00 H new ATOM 0 H42 C B 214 9.860 -8.831 -9.585 1.00 0.00 H new ATOM 0 H5 C B 214 6.405 -10.018 -9.981 1.00 0.00 H new ATOM 0 H6 C B 214 5.296 -10.026 -12.146 1.00 0.00 H new ATOM 461 P U B 215 3.910 -13.457 -14.993 1.00 0.00 P ATOM 462 OP1 U B 215 2.775 -14.038 -15.746 1.00 0.00 O ATOM 463 OP2 U B 215 3.853 -13.525 -13.516 1.00 0.00 O ATOM 464 O5' U B 215 5.248 -14.192 -15.471 1.00 0.00 O ATOM 465 C5' U B 215 5.778 -13.935 -16.770 1.00 0.00 C ATOM 466 C4' U B 215 7.284 -13.819 -16.702 1.00 0.00 C ATOM 467 O4' U B 215 8.020 -12.944 -16.455 1.00 0.00 O ATOM 468 C3' U B 215 7.999 -15.108 -16.306 1.00 0.00 C ATOM 469 O3' U B 215 7.905 -16.050 -17.372 1.00 0.00 O ATOM 470 C2' U B 215 9.424 -14.708 -16.047 1.00 0.00 C ATOM 471 O2' U B 215 10.076 -15.095 -17.236 1.00 0.00 O ATOM 472 C1' U B 215 9.266 -13.203 -15.847 1.00 0.00 C ATOM 473 N1 U B 215 9.261 -12.795 -14.426 1.00 0.00 N ATOM 474 C2 U B 215 10.425 -12.284 -13.941 1.00 0.00 C ATOM 475 O2 U B 215 11.438 -12.154 -14.610 1.00 0.00 O ATOM 476 N3 U B 215 10.422 -11.903 -12.618 1.00 0.00 N ATOM 477 C4 U B 215 9.328 -12.015 -11.798 1.00 0.00 C ATOM 478 O4 U B 215 9.441 -11.643 -10.631 1.00 0.00 O ATOM 479 C5 U B 215 8.139 -12.555 -12.354 1.00 0.00 C ATOM 480 C6 U B 215 8.163 -12.918 -13.638 1.00 0.00 C ATOM 0 H5' U B 215 5.352 -13.015 -17.170 1.00 0.00 H new ATOM 0 H5'' U B 215 5.498 -14.738 -17.451 1.00 0.00 H new ATOM 0 H4' U B 215 7.049 -13.418 -17.688 1.00 0.00 H new ATOM 0 H3' U B 215 7.563 -15.582 -15.427 1.00 0.00 H new ATOM 0 H2' U B 215 9.982 -15.129 -15.210 1.00 0.00 H new ATOM 0 HO2' U B 215 11.046 -15.024 -17.115 1.00 0.00 H new ATOM 0 H1' U B 215 10.099 -12.643 -16.272 1.00 0.00 H new ATOM 0 H3 U B 215 11.281 -11.516 -12.226 1.00 0.00 H new ATOM 0 H5 U B 215 7.245 -12.668 -11.758 1.00 0.00 H new ATOM 0 H6 U B 215 7.264 -13.330 -14.072 1.00 0.00 H new ATOM 491 P A B 216 7.486 -17.563 -17.067 1.00 0.00 P ATOM 492 OP1 A B 216 6.647 -18.080 -18.172 1.00 0.00 O ATOM 493 OP2 A B 216 6.944 -17.664 -15.694 1.00 0.00 O ATOM 494 O5' A B 216 8.885 -18.338 -17.105 1.00 0.00 O ATOM 495 C5' A B 216 9.923 -17.895 -17.977 1.00 0.00 C ATOM 496 C4' A B 216 11.229 -17.796 -17.222 1.00 0.00 C ATOM 497 O4' A B 216 11.007 -17.157 -16.128 1.00 0.00 O ATOM 498 C3' A B 216 11.690 -19.104 -16.584 1.00 0.00 C ATOM 499 O3' A B 216 12.430 -19.862 -17.539 1.00 0.00 O ATOM 500 C2' A B 216 12.547 -18.697 -15.418 1.00 0.00 C ATOM 501 O2' A B 216 13.850 -18.761 -15.954 1.00 0.00 O ATOM 502 C1' A B 216 12.015 -17.291 -15.152 1.00 0.00 C ATOM 503 N9 A B 216 11.468 -17.116 -13.790 1.00 0.00 N ATOM 504 C8 A B 216 10.222 -17.410 -13.363 1.00 0.00 C ATOM 505 N7 A B 216 10.043 -17.135 -12.076 1.00 0.00 N ATOM 506 C5 A B 216 11.254 -16.637 -11.675 1.00 0.00 C ATOM 507 C6 A B 216 11.702 -16.167 -10.422 1.00 0.00 C ATOM 508 N6 A B 216 10.940 -16.123 -9.299 1.00 0.00 N ATOM 509 N1 A B 216 12.989 -15.729 -10.342 1.00 0.00 N ATOM 510 C2 A B 216 13.755 -15.769 -11.455 1.00 0.00 C ATOM 511 N3 A B 216 13.433 -16.194 -12.691 1.00 0.00 N ATOM 512 C4 A B 216 12.139 -16.617 -12.705 1.00 0.00 C ATOM 0 H5' A B 216 9.664 -16.924 -18.400 1.00 0.00 H new ATOM 0 H5'' A B 216 10.028 -18.588 -18.812 1.00 0.00 H new ATOM 0 H4' A B 216 11.928 -17.391 -17.954 1.00 0.00 H new ATOM 0 H3' A B 216 10.861 -19.732 -16.256 1.00 0.00 H new ATOM 0 H2' A B 216 12.542 -19.269 -14.490 1.00 0.00 H new ATOM 0 HO2' A B 216 14.481 -19.016 -15.249 1.00 0.00 H new ATOM 0 H1' A B 216 12.800 -16.537 -15.210 1.00 0.00 H new ATOM 0 H8 A B 216 9.454 -17.824 -13.999 1.00 0.00 H new ATOM 0 H61 A B 216 11.335 -15.769 -8.428 1.00 0.00 H new ATOM 0 H62 A B 216 9.972 -16.444 -9.327 1.00 0.00 H new ATOM 0 H2 A B 216 14.767 -15.410 -11.336 1.00 0.00 H new ATOM 524 P G B 217 12.123 -21.420 -17.734 1.00 0.00 P ATOM 525 OP1 G B 217 12.493 -21.832 -19.107 1.00 0.00 O ATOM 526 OP2 G B 217 10.748 -21.719 -17.278 1.00 0.00 O ATOM 527 O5' G B 217 13.144 -22.118 -16.717 1.00 0.00 O ATOM 528 C5' G B 217 14.453 -21.581 -16.542 1.00 0.00 C ATOM 529 C4' G B 217 14.756 -21.421 -15.070 1.00 0.00 C ATOM 530 O4' G B 217 14.230 -20.468 -14.191 1.00 0.00 O ATOM 531 C3' G B 217 14.306 -22.594 -14.202 1.00 0.00 C ATOM 532 O3' G B 217 14.962 -23.783 -14.637 1.00 0.00 O ATOM 533 C2' G B 217 14.703 -22.226 -12.800 1.00 0.00 C ATOM 534 O2' G B 217 16.055 -22.625 -12.745 1.00 0.00 O ATOM 535 C1' G B 217 14.466 -20.719 -12.824 1.00 0.00 C ATOM 536 N9 G B 217 13.319 -20.289 -11.997 1.00 0.00 N ATOM 537 C8 G B 217 12.009 -20.352 -12.317 1.00 0.00 C ATOM 538 N7 G B 217 11.223 -19.883 -11.353 1.00 0.00 N ATOM 539 C5 G B 217 12.097 -19.505 -10.370 1.00 0.00 C ATOM 540 C6 G B 217 11.884 -18.935 -9.097 1.00 0.00 C ATOM 541 O6 G B 217 10.786 -18.659 -8.615 1.00 0.00 O ATOM 542 N1 G B 217 12.982 -18.667 -8.338 1.00 0.00 N ATOM 543 C2 G B 217 14.202 -18.960 -8.842 1.00 0.00 C ATOM 544 N2 G B 217 15.169 -18.641 -7.986 1.00 0.00 N ATOM 545 N3 G B 217 14.521 -19.500 -10.034 1.00 0.00 N ATOM 546 C4 G B 217 13.383 -19.742 -10.742 1.00 0.00 C ATOM 0 H5' G B 217 14.529 -20.616 -17.044 1.00 0.00 H new ATOM 0 H5'' G B 217 15.189 -22.239 -17.003 1.00 0.00 H new ATOM 0 H4' G B 217 15.789 -21.192 -15.334 1.00 0.00 H new ATOM 0 H3' G B 217 13.234 -22.782 -14.264 1.00 0.00 H new ATOM 0 H2' G B 217 14.194 -22.661 -11.940 1.00 0.00 H new ATOM 0 HO2' G B 217 16.158 -23.343 -12.086 1.00 0.00 H new ATOM 0 H1' G B 217 15.306 -20.166 -12.404 1.00 0.00 H new ATOM 0 H8 G B 217 11.640 -20.741 -13.254 1.00 0.00 H new ATOM 0 H1 G B 217 12.886 -18.254 -7.410 1.00 0.00 H new ATOM 0 H21 G B 217 16.144 -18.807 -8.234 1.00 0.00 H new ATOM 0 H22 G B 217 14.935 -18.230 -7.082 1.00 0.00 H new ATOM 558 P U B 218 14.135 -25.146 -14.783 1.00 0.00 P ATOM 559 OP1 U B 218 14.558 -25.856 -16.011 1.00 0.00 O ATOM 560 OP2 U B 218 12.691 -24.872 -14.615 1.00 0.00 O ATOM 561 O5' U B 218 14.626 -26.002 -13.523 1.00 0.00 O ATOM 562 C5' U B 218 15.960 -25.859 -13.040 1.00 0.00 C ATOM 563 C4' U B 218 15.958 -25.750 -11.532 1.00 0.00 C ATOM 564 O4' U B 218 15.406 -24.683 -11.038 1.00 0.00 O ATOM 565 C3' U B 218 15.061 -26.766 -10.828 1.00 0.00 C ATOM 566 O3' U B 218 15.703 -28.039 -10.818 1.00 0.00 O ATOM 567 C2' U B 218 14.872 -26.231 -9.437 1.00 0.00 C ATOM 568 O2' U B 218 15.938 -26.824 -8.730 1.00 0.00 O ATOM 569 C1' U B 218 15.005 -24.732 -9.687 1.00 0.00 C ATOM 570 N1 U B 218 13.748 -23.985 -9.475 1.00 0.00 N ATOM 571 C2 U B 218 13.575 -23.432 -8.243 1.00 0.00 C ATOM 572 O2 U B 218 14.388 -23.526 -7.338 1.00 0.00 O ATOM 573 N3 U B 218 12.403 -22.736 -8.044 1.00 0.00 N ATOM 574 C4 U B 218 11.438 -22.583 -9.007 1.00 0.00 C ATOM 575 O4 U B 218 10.430 -21.939 -8.717 1.00 0.00 O ATOM 576 C5 U B 218 11.669 -23.179 -10.274 1.00 0.00 C ATOM 577 C6 U B 218 12.811 -23.850 -10.446 1.00 0.00 C ATOM 0 H5' U B 218 16.420 -24.972 -13.476 1.00 0.00 H new ATOM 0 H5'' U B 218 16.561 -26.714 -13.350 1.00 0.00 H new ATOM 0 H4' U B 218 17.032 -25.839 -11.366 1.00 0.00 H new ATOM 0 H3' U B 218 14.100 -26.901 -11.325 1.00 0.00 H new ATOM 0 H2' U B 218 13.955 -26.426 -8.880 1.00 0.00 H new ATOM 0 HO2' U B 218 16.367 -27.501 -9.293 1.00 0.00 H new ATOM 0 H1' U B 218 15.701 -24.261 -8.994 1.00 0.00 H new ATOM 0 H3 U B 218 12.244 -22.311 -7.130 1.00 0.00 H new ATOM 0 H5 U B 218 10.946 -23.093 -11.072 1.00 0.00 H new ATOM 0 H6 U B 218 12.997 -24.308 -11.406 1.00 0.00 H new ATOM 588 P C B 219 14.836 -29.372 -10.642 1.00 0.00 P ATOM 589 OP1 C B 219 15.726 -30.553 -10.678 1.00 0.00 O ATOM 590 OP2 C B 219 13.692 -29.350 -11.581 1.00 0.00 O ATOM 591 O5' C B 219 14.258 -29.231 -9.157 1.00 0.00 O ATOM 592 C5' C B 219 14.889 -29.920 -8.079 1.00 0.00 C ATOM 593 C4' C B 219 14.140 -29.665 -6.790 1.00 0.00 C ATOM 594 O4' C B 219 13.732 -28.369 -6.981 1.00 0.00 O ATOM 595 C3' C B 219 12.722 -30.228 -6.764 1.00 0.00 C ATOM 596 O3' C B 219 12.747 -31.548 -6.222 1.00 0.00 O ATOM 597 C2' C B 219 11.937 -29.288 -5.892 1.00 0.00 C ATOM 598 O2' C B 219 12.188 -29.785 -4.596 1.00 0.00 O ATOM 599 C1' C B 219 12.612 -27.961 -6.227 1.00 0.00 C ATOM 600 N1 C B 219 11.752 -27.042 -7.001 1.00 0.00 N ATOM 601 C2 C B 219 11.044 -26.070 -6.298 1.00 0.00 C ATOM 602 O2 C B 219 11.166 -26.021 -5.068 1.00 0.00 O ATOM 603 N3 C B 219 10.254 -25.221 -6.981 1.00 0.00 N ATOM 604 C4 C B 219 10.136 -25.286 -8.292 1.00 0.00 C ATOM 605 N4 C B 219 9.352 -24.439 -8.948 1.00 0.00 N ATOM 606 C5 C B 219 10.859 -26.285 -9.045 1.00 0.00 C ATOM 607 C6 C B 219 11.642 -27.123 -8.350 1.00 0.00 C ATOM 0 H5' C B 219 15.922 -29.588 -7.980 1.00 0.00 H new ATOM 0 H5'' C B 219 14.917 -30.990 -8.287 1.00 0.00 H new ATOM 0 H4' C B 219 14.761 -30.010 -5.963 1.00 0.00 H new ATOM 0 H3' C B 219 12.275 -30.301 -7.756 1.00 0.00 H new ATOM 0 H2' C B 219 10.858 -29.186 -6.005 1.00 0.00 H new ATOM 0 HO2' C B 219 12.653 -30.645 -4.660 1.00 0.00 H new ATOM 0 H1' C B 219 12.858 -27.389 -5.333 1.00 0.00 H new ATOM 0 H41 C B 219 9.270 -24.501 -9.963 1.00 0.00 H new ATOM 0 H42 C B 219 8.831 -23.726 -8.437 1.00 0.00 H new ATOM 0 H5 C B 219 10.773 -26.354 -10.119 1.00 0.00 H new ATOM 0 H6 C B 219 12.199 -27.882 -8.879 1.00 0.00 H new ATOM 619 P C B 220 12.231 -32.783 -7.099 1.00 0.00 P ATOM 620 OP1 C B 220 12.999 -33.998 -6.749 1.00 0.00 O ATOM 621 OP2 C B 220 12.181 -32.393 -8.526 1.00 0.00 O ATOM 622 O5' C B 220 10.728 -32.984 -6.589 1.00 0.00 O ATOM 623 C5' C B 220 10.475 -33.687 -5.374 1.00 0.00 C ATOM 624 C4' C B 220 9.003 -33.630 -5.038 1.00 0.00 C ATOM 625 O4' C B 220 8.955 -32.269 -5.140 1.00 0.00 O ATOM 626 C3' C B 220 8.074 -33.879 -6.223 1.00 0.00 C ATOM 627 O3' C B 220 7.597 -35.232 -6.178 1.00 0.00 O ATOM 628 C2' C B 220 6.953 -32.889 -6.064 1.00 0.00 C ATOM 629 O2' C B 220 6.072 -33.560 -5.190 1.00 0.00 O ATOM 630 C1' C B 220 7.702 -31.706 -5.458 1.00 0.00 C ATOM 631 N1 C B 220 7.849 -30.565 -6.386 1.00 0.00 N ATOM 632 C2 C B 220 7.099 -29.419 -6.127 1.00 0.00 C ATOM 633 O2 C B 220 6.353 -29.410 -5.142 1.00 0.00 O ATOM 634 N3 C B 220 7.216 -28.366 -6.957 1.00 0.00 N ATOM 635 C4 C B 220 8.017 -28.393 -8.003 1.00 0.00 C ATOM 636 N4 C B 220 8.119 -27.344 -8.809 1.00 0.00 N ATOM 637 C5 C B 220 8.805 -29.569 -8.294 1.00 0.00 C ATOM 638 C6 C B 220 8.678 -30.609 -7.457 1.00 0.00 C ATOM 0 H5' C B 220 11.058 -33.250 -4.564 1.00 0.00 H new ATOM 0 H5'' C B 220 10.794 -34.725 -5.472 1.00 0.00 H new ATOM 0 H4' C B 220 8.741 -34.260 -4.188 1.00 0.00 H new ATOM 0 H3' C B 220 8.568 -33.751 -7.186 1.00 0.00 H new ATOM 0 H2' C B 220 6.375 -32.551 -6.924 1.00 0.00 H new ATOM 0 HO2' C B 220 6.278 -34.518 -5.190 1.00 0.00 H new ATOM 0 HO3' C B 220 6.999 -35.393 -6.937 1.00 0.00 H new ATOM 0 H1' C B 220 7.173 -31.277 -4.607 1.00 0.00 H new ATOM 0 H41 C B 220 8.743 -27.379 -9.615 1.00 0.00 H new ATOM 0 H42 C B 220 7.573 -26.503 -8.623 1.00 0.00 H new ATOM 0 H5 C B 220 9.466 -29.608 -9.147 1.00 0.00 H new ATOM 0 H6 C B 220 9.252 -31.505 -7.641 1.00 0.00 H new TER 650 C B 220 ATOM 651 N MET A 1 3.094 -13.832 5.362 1.00 0.00 N ATOM 652 CA MET A 1 4.436 -13.611 4.850 1.00 0.00 C ATOM 653 C MET A 1 4.452 -13.647 3.320 1.00 0.00 C ATOM 654 O MET A 1 5.455 -14.025 2.716 1.00 0.00 O ATOM 655 CB MET A 1 5.375 -14.687 5.397 1.00 0.00 C ATOM 656 CG MET A 1 6.344 -14.100 6.425 1.00 0.00 C ATOM 657 SD MET A 1 8.022 -14.545 6.009 1.00 0.00 S ATOM 658 CE MET A 1 8.251 -15.940 7.098 1.00 0.00 C ATOM 0 H1 MET A 1 3.144 -14.089 6.369 1.00 0.00 H new ATOM 0 H2 MET A 1 2.534 -12.963 5.254 1.00 0.00 H new ATOM 0 H3 MET A 1 2.642 -14.603 4.830 1.00 0.00 H new ATOM 0 HA MET A 1 4.771 -12.626 5.175 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.791 -15.484 5.857 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.937 -15.135 4.577 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.243 -13.015 6.453 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.098 -14.469 7.421 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.255 -16.343 6.967 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.121 -15.620 8.132 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.517 -16.710 6.862 1.00 0.00 H new ATOM 668 N GLN A 2 3.330 -13.251 2.739 1.00 0.00 N ATOM 669 CA GLN A 2 3.203 -13.234 1.292 1.00 0.00 C ATOM 670 C GLN A 2 3.822 -11.958 0.719 1.00 0.00 C ATOM 671 O GLN A 2 4.418 -11.169 1.452 1.00 0.00 O ATOM 672 CB GLN A 2 1.739 -13.370 0.869 1.00 0.00 C ATOM 673 CG GLN A 2 1.431 -14.798 0.411 1.00 0.00 C ATOM 674 CD GLN A 2 1.597 -15.791 1.563 1.00 0.00 C ATOM 675 OE1 GLN A 2 0.724 -15.966 2.395 1.00 0.00 O ATOM 676 NE2 GLN A 2 2.765 -16.428 1.563 1.00 0.00 N ATOM 0 H GLN A 2 2.500 -12.939 3.244 1.00 0.00 H new ATOM 0 HA GLN A 2 3.745 -14.090 0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.090 -13.104 1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.524 -12.671 0.061 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.412 -14.849 0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 2 2.095 -15.072 -0.409 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.452 -16.233 0.835 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.973 -17.111 2.291 1.00 0.00 H new ATOM 685 N LYS A 3 3.660 -11.792 -0.585 1.00 0.00 N ATOM 686 CA LYS A 3 4.195 -10.625 -1.264 1.00 0.00 C ATOM 687 C LYS A 3 5.724 -10.691 -1.255 1.00 0.00 C ATOM 688 O LYS A 3 6.386 -9.764 -0.791 1.00 0.00 O ATOM 689 CB LYS A 3 3.632 -9.341 -0.649 1.00 0.00 C ATOM 690 CG LYS A 3 2.121 -9.245 -0.872 1.00 0.00 C ATOM 691 CD LYS A 3 1.783 -8.121 -1.855 1.00 0.00 C ATOM 692 CE LYS A 3 1.481 -8.682 -3.246 1.00 0.00 C ATOM 693 NZ LYS A 3 2.383 -8.080 -4.254 1.00 0.00 N ATOM 0 H LYS A 3 3.165 -12.447 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 3 3.881 -10.615 -2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.848 -9.320 0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.125 -8.475 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.745 -10.194 -1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.620 -9.064 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.922 -7.561 -1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.617 -7.422 -1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.602 -9.765 -3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.443 -8.478 -3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.426 -8.694 -5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.022 -7.144 -4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.336 -7.978 -3.850 1.00 0.00 H new ATOM 706 N GLY A 4 6.240 -11.797 -1.773 1.00 0.00 N ATOM 707 CA GLY A 4 7.678 -11.996 -1.830 1.00 0.00 C ATOM 708 C GLY A 4 8.349 -10.909 -2.672 1.00 0.00 C ATOM 709 O GLY A 4 9.566 -10.738 -2.615 1.00 0.00 O ATOM 0 H GLY A 4 5.688 -12.564 -2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.090 -11.986 -0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.897 -12.976 -2.254 1.00 0.00 H new ATOM 713 N ASN A 5 7.526 -10.204 -3.435 1.00 0.00 N ATOM 714 CA ASN A 5 8.025 -9.140 -4.288 1.00 0.00 C ATOM 715 C ASN A 5 8.767 -8.112 -3.432 1.00 0.00 C ATOM 716 O ASN A 5 9.671 -7.431 -3.915 1.00 0.00 O ATOM 717 CB ASN A 5 6.878 -8.420 -5.001 1.00 0.00 C ATOM 718 CG ASN A 5 7.296 -7.976 -6.403 1.00 0.00 C ATOM 719 OD1 ASN A 5 7.377 -8.762 -7.333 1.00 0.00 O ATOM 720 ND2 ASN A 5 7.555 -6.675 -6.504 1.00 0.00 N ATOM 0 H ASN A 5 6.517 -10.349 -3.480 1.00 0.00 H new ATOM 0 HA ASN A 5 8.687 -9.586 -5.030 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.014 -9.082 -5.068 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.570 -7.552 -4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.841 -6.280 -7.400 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.468 -6.073 -5.686 1.00 0.00 H new ATOM 727 N PHE A 6 8.360 -8.031 -2.174 1.00 0.00 N ATOM 728 CA PHE A 6 8.974 -7.098 -1.245 1.00 0.00 C ATOM 729 C PHE A 6 10.478 -7.353 -1.127 1.00 0.00 C ATOM 730 O PHE A 6 11.215 -6.514 -0.611 1.00 0.00 O ATOM 731 CB PHE A 6 8.322 -7.328 0.119 1.00 0.00 C ATOM 732 CG PHE A 6 7.474 -6.153 0.609 1.00 0.00 C ATOM 733 CD1 PHE A 6 6.748 -5.420 -0.278 1.00 0.00 C ATOM 734 CD2 PHE A 6 7.446 -5.840 1.932 1.00 0.00 C ATOM 735 CE1 PHE A 6 5.961 -4.329 0.177 1.00 0.00 C ATOM 736 CE2 PHE A 6 6.659 -4.749 2.388 1.00 0.00 C ATOM 737 CZ PHE A 6 5.934 -4.017 1.501 1.00 0.00 C ATOM 0 H PHE A 6 7.611 -8.597 -1.776 1.00 0.00 H new ATOM 0 HA PHE A 6 8.831 -6.076 -1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.695 -8.218 0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 6 9.101 -7.531 0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 6 6.770 -5.668 -1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 6 8.022 -6.421 2.636 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.385 -3.748 -0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 6 6.637 -4.501 3.439 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.336 -3.187 1.848 1.00 0.00 H new ATOM 747 N ARG A 7 10.889 -8.515 -1.615 1.00 0.00 N ATOM 748 CA ARG A 7 12.291 -8.891 -1.570 1.00 0.00 C ATOM 749 C ARG A 7 13.141 -7.864 -2.321 1.00 0.00 C ATOM 750 O ARG A 7 14.368 -7.891 -2.242 1.00 0.00 O ATOM 751 CB ARG A 7 12.512 -10.273 -2.188 1.00 0.00 C ATOM 752 CG ARG A 7 12.073 -11.380 -1.227 1.00 0.00 C ATOM 753 CD ARG A 7 13.190 -12.406 -1.025 1.00 0.00 C ATOM 754 NE ARG A 7 13.669 -12.363 0.375 1.00 0.00 N ATOM 755 CZ ARG A 7 14.640 -11.536 0.817 1.00 0.00 C ATOM 756 NH1 ARG A 7 15.246 -10.675 -0.028 1.00 0.00 N ATOM 757 NH2 ARG A 7 14.989 -11.583 2.089 1.00 0.00 N ATOM 0 H ARG A 7 10.275 -9.208 -2.043 1.00 0.00 H new ATOM 0 HA ARG A 7 12.591 -8.921 -0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.952 -10.352 -3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.566 -10.400 -2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.797 -10.944 -0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.185 -11.876 -1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.825 -13.405 -1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.014 -12.197 -1.707 1.00 0.00 H new ATOM 0 HE ARG A 7 13.239 -12.998 1.047 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.971 -10.645 -1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.979 -10.054 0.315 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.527 -12.237 2.721 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.721 -10.965 2.440 1.00 0.00 H new ATOM 770 N ASN A 8 12.454 -6.981 -3.032 1.00 0.00 N ATOM 771 CA ASN A 8 13.130 -5.947 -3.795 1.00 0.00 C ATOM 772 C ASN A 8 14.016 -5.123 -2.858 1.00 0.00 C ATOM 773 O ASN A 8 15.112 -4.713 -3.236 1.00 0.00 O ATOM 774 CB ASN A 8 12.123 -4.998 -4.450 1.00 0.00 C ATOM 775 CG ASN A 8 11.293 -4.266 -3.393 1.00 0.00 C ATOM 776 OD1 ASN A 8 11.096 -4.737 -2.286 1.00 0.00 O ATOM 777 ND2 ASN A 8 10.820 -3.090 -3.796 1.00 0.00 N ATOM 0 H ASN A 8 11.436 -6.961 -3.095 1.00 0.00 H new ATOM 0 HA ASN A 8 13.724 -6.434 -4.569 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.651 -4.273 -5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.463 -5.561 -5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.255 -2.524 -3.163 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.023 -2.754 -4.738 1.00 0.00 H new ATOM 784 N GLN A 9 13.506 -4.904 -1.655 1.00 0.00 N ATOM 785 CA GLN A 9 14.237 -4.137 -0.661 1.00 0.00 C ATOM 786 C GLN A 9 15.582 -4.801 -0.361 1.00 0.00 C ATOM 787 O GLN A 9 16.432 -4.217 0.309 1.00 0.00 O ATOM 788 CB GLN A 9 13.413 -3.968 0.616 1.00 0.00 C ATOM 789 CG GLN A 9 12.163 -3.125 0.355 1.00 0.00 C ATOM 790 CD GLN A 9 10.996 -3.589 1.227 1.00 0.00 C ATOM 791 OE1 GLN A 9 10.013 -4.136 0.755 1.00 0.00 O ATOM 792 NE2 GLN A 9 11.159 -3.341 2.525 1.00 0.00 N ATOM 0 H GLN A 9 12.595 -5.244 -1.346 1.00 0.00 H new ATOM 0 HA GLN A 9 14.427 -3.143 -1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 9 13.123 -4.947 0.998 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.022 -3.493 1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.379 -2.076 0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.886 -3.195 -0.697 1.00 0.00 H new ATOM 0 HE21 GLN A 9 12.007 -2.879 2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.436 -3.613 3.191 1.00 0.00 H new ATOM 801 N ARG A 10 15.734 -6.015 -0.873 1.00 0.00 N ATOM 802 CA ARG A 10 16.962 -6.765 -0.668 1.00 0.00 C ATOM 803 C ARG A 10 18.162 -5.970 -1.185 1.00 0.00 C ATOM 804 O ARG A 10 19.305 -6.276 -0.848 1.00 0.00 O ATOM 805 CB ARG A 10 16.907 -8.116 -1.384 1.00 0.00 C ATOM 806 CG ARG A 10 16.867 -7.931 -2.902 1.00 0.00 C ATOM 807 CD ARG A 10 16.373 -9.202 -3.596 1.00 0.00 C ATOM 808 NE ARG A 10 15.262 -8.876 -4.518 1.00 0.00 N ATOM 809 CZ ARG A 10 14.335 -9.766 -4.930 1.00 0.00 C ATOM 810 NH1 ARG A 10 14.379 -11.048 -4.505 1.00 0.00 N ATOM 811 NH2 ARG A 10 13.385 -9.366 -5.755 1.00 0.00 N ATOM 0 H ARG A 10 15.027 -6.497 -1.429 1.00 0.00 H new ATOM 0 HA ARG A 10 17.071 -6.938 0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.777 -8.713 -1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 10 16.026 -8.669 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.212 -7.097 -3.153 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.862 -7.676 -3.267 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.190 -9.666 -4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.039 -9.926 -2.853 1.00 0.00 H new ATOM 0 HE ARG A 10 15.193 -7.919 -4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.117 -11.349 -3.868 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.675 -11.715 -4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.359 -8.397 -6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.677 -10.026 -6.076 1.00 0.00 H new ATOM 824 N LYS A 11 17.862 -4.966 -1.995 1.00 0.00 N ATOM 825 CA LYS A 11 18.902 -4.124 -2.562 1.00 0.00 C ATOM 826 C LYS A 11 18.824 -2.731 -1.934 1.00 0.00 C ATOM 827 O LYS A 11 19.532 -2.439 -0.972 1.00 0.00 O ATOM 828 CB LYS A 11 18.813 -4.117 -4.089 1.00 0.00 C ATOM 829 CG LYS A 11 19.889 -3.215 -4.697 1.00 0.00 C ATOM 830 CD LYS A 11 20.384 -3.776 -6.033 1.00 0.00 C ATOM 831 CE LYS A 11 20.121 -2.789 -7.172 1.00 0.00 C ATOM 832 NZ LYS A 11 21.342 -2.009 -7.473 1.00 0.00 N ATOM 0 H LYS A 11 16.913 -4.716 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 11 19.888 -4.525 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 11 18.928 -5.132 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.826 -3.771 -4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.487 -2.213 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 11 20.726 -3.123 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 11 21.451 -3.988 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.883 -4.721 -6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 11 19.799 -3.329 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 11 19.310 -2.115 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 21.147 -1.344 -8.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 21.633 -1.479 -6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 22.106 -2.655 -7.756 1.00 0.00 H new ATOM 845 N THR A 12 17.958 -1.908 -2.505 1.00 0.00 N ATOM 846 CA THR A 12 17.777 -0.552 -2.014 1.00 0.00 C ATOM 847 C THR A 12 16.737 0.187 -2.858 1.00 0.00 C ATOM 848 O THR A 12 16.954 1.331 -3.255 1.00 0.00 O ATOM 849 CB THR A 12 19.146 0.131 -2.000 1.00 0.00 C ATOM 850 OG1 THR A 12 19.020 1.142 -1.003 1.00 0.00 O ATOM 851 CG2 THR A 12 19.424 0.911 -3.287 1.00 0.00 C ATOM 0 H THR A 12 17.373 -2.154 -3.304 1.00 0.00 H new ATOM 0 HA THR A 12 17.385 -0.548 -0.997 1.00 0.00 H new ATOM 0 HB THR A 12 19.924 -0.619 -1.854 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.864 1.633 -0.927 1.00 0.00 H new ATOM 0 HG21 THR A 12 20.408 1.376 -3.225 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.397 0.230 -4.138 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.665 1.683 -3.416 1.00 0.00 H new ATOM 859 N VAL A 13 15.629 -0.496 -3.107 1.00 0.00 N ATOM 860 CA VAL A 13 14.555 0.082 -3.897 1.00 0.00 C ATOM 861 C VAL A 13 14.381 1.552 -3.514 1.00 0.00 C ATOM 862 O VAL A 13 14.729 1.955 -2.404 1.00 0.00 O ATOM 863 CB VAL A 13 13.275 -0.738 -3.718 1.00 0.00 C ATOM 864 CG1 VAL A 13 13.382 -2.084 -4.437 1.00 0.00 C ATOM 865 CG2 VAL A 13 12.951 -0.932 -2.236 1.00 0.00 C ATOM 0 H VAL A 13 15.452 -1.444 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 13 14.801 0.049 -4.958 1.00 0.00 H new ATOM 0 HB VAL A 13 12.454 -0.181 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.460 -2.647 -4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.543 -1.916 -5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.219 -2.649 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.037 -1.518 -2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.773 -1.457 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.812 0.040 -1.764 1.00 0.00 H new ATOM 875 N LYS A 14 13.843 2.316 -4.454 1.00 0.00 N ATOM 876 CA LYS A 14 13.618 3.734 -4.228 1.00 0.00 C ATOM 877 C LYS A 14 12.135 3.972 -3.942 1.00 0.00 C ATOM 878 O LYS A 14 11.271 3.378 -4.588 1.00 0.00 O ATOM 879 CB LYS A 14 14.158 4.554 -5.403 1.00 0.00 C ATOM 880 CG LYS A 14 13.129 4.638 -6.532 1.00 0.00 C ATOM 881 CD LYS A 14 13.809 4.559 -7.899 1.00 0.00 C ATOM 882 CE LYS A 14 14.242 5.946 -8.378 1.00 0.00 C ATOM 883 NZ LYS A 14 15.650 5.922 -8.832 1.00 0.00 N ATOM 0 H LYS A 14 13.556 1.980 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 14 14.169 4.073 -3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.413 5.558 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.076 4.100 -5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.408 3.827 -6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.572 5.571 -6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.678 3.903 -7.839 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.125 4.117 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.597 6.273 -9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.127 6.669 -7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.927 6.871 -9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.264 5.630 -8.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.750 5.248 -9.617 1.00 0.00 H new ATOM 896 N CYS A 15 11.883 4.841 -2.975 1.00 0.00 N ATOM 897 CA CYS A 15 10.518 5.165 -2.596 1.00 0.00 C ATOM 898 C CYS A 15 9.939 6.113 -3.649 1.00 0.00 C ATOM 899 O CYS A 15 10.368 7.260 -3.758 1.00 0.00 O ATOM 900 CB CYS A 15 10.449 5.763 -1.189 1.00 0.00 C ATOM 901 SG CYS A 15 8.704 6.045 -0.715 1.00 0.00 S ATOM 0 H CYS A 15 12.601 5.331 -2.442 1.00 0.00 H new ATOM 0 HA CYS A 15 9.921 4.254 -2.562 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.924 5.090 -0.475 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.000 6.703 -1.157 1.00 0.00 H new ATOM 906 N PHE A 16 8.974 5.597 -4.396 1.00 0.00 N ATOM 907 CA PHE A 16 8.332 6.382 -5.435 1.00 0.00 C ATOM 908 C PHE A 16 7.360 7.400 -4.833 1.00 0.00 C ATOM 909 O PHE A 16 6.664 8.105 -5.561 1.00 0.00 O ATOM 910 CB PHE A 16 7.549 5.406 -6.315 1.00 0.00 C ATOM 911 CG PHE A 16 8.384 4.756 -7.419 1.00 0.00 C ATOM 912 CD1 PHE A 16 9.235 5.512 -8.163 1.00 0.00 C ATOM 913 CD2 PHE A 16 8.276 3.421 -7.658 1.00 0.00 C ATOM 914 CE1 PHE A 16 10.011 4.909 -9.188 1.00 0.00 C ATOM 915 CE2 PHE A 16 9.051 2.818 -8.683 1.00 0.00 C ATOM 916 CZ PHE A 16 9.902 3.574 -9.426 1.00 0.00 C ATOM 0 H PHE A 16 8.622 4.644 -4.302 1.00 0.00 H new ATOM 0 HA PHE A 16 9.083 6.930 -6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.127 4.623 -5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.712 5.935 -6.771 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.321 6.572 -7.974 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.600 2.820 -7.068 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.687 5.510 -9.778 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.965 1.758 -8.873 1.00 0.00 H new ATOM 0 HZ PHE A 16 10.492 3.115 -10.205 1.00 0.00 H new ATOM 926 N ASN A 17 7.345 7.442 -3.509 1.00 0.00 N ATOM 927 CA ASN A 17 6.470 8.361 -2.800 1.00 0.00 C ATOM 928 C ASN A 17 7.254 9.623 -2.431 1.00 0.00 C ATOM 929 O ASN A 17 6.933 10.715 -2.897 1.00 0.00 O ATOM 930 CB ASN A 17 5.946 7.735 -1.506 1.00 0.00 C ATOM 931 CG ASN A 17 4.611 8.360 -1.096 1.00 0.00 C ATOM 932 OD1 ASN A 17 3.769 8.682 -1.918 1.00 0.00 O ATOM 933 ND2 ASN A 17 4.465 8.512 0.217 1.00 0.00 N ATOM 0 H ASN A 17 7.924 6.855 -2.909 1.00 0.00 H new ATOM 0 HA ASN A 17 5.629 8.597 -3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.822 6.661 -1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.677 7.874 -0.709 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.608 8.920 0.591 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.210 8.221 0.850 1.00 0.00 H new ATOM 940 N CYS A 18 8.265 9.429 -1.598 1.00 0.00 N ATOM 941 CA CYS A 18 9.097 10.539 -1.162 1.00 0.00 C ATOM 942 C CYS A 18 10.222 10.725 -2.182 1.00 0.00 C ATOM 943 O CYS A 18 10.547 11.852 -2.556 1.00 0.00 O ATOM 944 CB CYS A 18 9.639 10.318 0.252 1.00 0.00 C ATOM 945 SG CYS A 18 10.613 8.769 0.313 1.00 0.00 S ATOM 0 H CYS A 18 8.527 8.521 -1.213 1.00 0.00 H new ATOM 0 HA CYS A 18 8.498 11.449 -1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.263 11.162 0.547 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.814 10.267 0.963 1.00 0.00 H new ATOM 950 N GLY A 19 10.788 9.603 -2.604 1.00 0.00 N ATOM 951 CA GLY A 19 11.870 9.630 -3.572 1.00 0.00 C ATOM 952 C GLY A 19 13.206 9.286 -2.911 1.00 0.00 C ATOM 953 O GLY A 19 14.258 9.748 -3.352 1.00 0.00 O ATOM 0 H GLY A 19 10.517 8.670 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.663 8.921 -4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.930 10.618 -4.028 1.00 0.00 H new ATOM 957 N LYS A 20 13.122 8.476 -1.865 1.00 0.00 N ATOM 958 CA LYS A 20 14.311 8.066 -1.139 1.00 0.00 C ATOM 959 C LYS A 20 14.749 6.683 -1.626 1.00 0.00 C ATOM 960 O LYS A 20 14.188 6.152 -2.583 1.00 0.00 O ATOM 961 CB LYS A 20 14.070 8.138 0.370 1.00 0.00 C ATOM 962 CG LYS A 20 15.258 8.784 1.086 1.00 0.00 C ATOM 963 CD LYS A 20 14.993 8.907 2.587 1.00 0.00 C ATOM 964 CE LYS A 20 15.629 7.745 3.352 1.00 0.00 C ATOM 965 NZ LYS A 20 15.682 8.046 4.801 1.00 0.00 N ATOM 0 H LYS A 20 12.248 8.093 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 20 15.134 8.751 -1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.165 8.711 0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.905 7.135 0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.155 8.188 0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.448 9.771 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.393 9.852 2.955 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.919 8.923 2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.055 6.834 3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.635 7.561 2.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.116 7.247 5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.249 8.904 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.718 8.199 5.159 1.00 0.00 H new ATOM 978 N GLU A 21 15.745 6.139 -0.944 1.00 0.00 N ATOM 979 CA GLU A 21 16.265 4.828 -1.296 1.00 0.00 C ATOM 980 C GLU A 21 16.421 3.965 -0.042 1.00 0.00 C ATOM 981 O GLU A 21 17.204 4.294 0.849 1.00 0.00 O ATOM 982 CB GLU A 21 17.592 4.946 -2.048 1.00 0.00 C ATOM 983 CG GLU A 21 17.414 4.608 -3.530 1.00 0.00 C ATOM 984 CD GLU A 21 18.522 5.242 -4.372 1.00 0.00 C ATOM 985 OE1 GLU A 21 18.325 6.324 -4.944 1.00 0.00 O ATOM 986 OE2 GLU A 21 19.622 4.568 -4.423 1.00 0.00 O ATOM 0 H GLU A 21 16.206 6.582 -0.149 1.00 0.00 H new ATOM 0 HA GLU A 21 15.551 4.343 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.983 5.958 -1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 21 18.327 4.275 -1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.424 3.526 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.442 4.963 -3.874 1.00 0.00 H new ATOM 994 N GLY A 22 15.662 2.879 -0.011 1.00 0.00 N ATOM 995 CA GLY A 22 15.706 1.967 1.119 1.00 0.00 C ATOM 996 C GLY A 22 14.325 1.372 1.398 1.00 0.00 C ATOM 997 O GLY A 22 14.214 0.227 1.832 1.00 0.00 O ATOM 0 H GLY A 22 15.013 2.610 -0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.417 1.166 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.064 2.495 2.003 1.00 0.00 H new ATOM 1001 N HIS A 23 13.305 2.177 1.136 1.00 0.00 N ATOM 1002 CA HIS A 23 11.935 1.744 1.353 1.00 0.00 C ATOM 1003 C HIS A 23 11.080 2.119 0.141 1.00 0.00 C ATOM 1004 O HIS A 23 11.468 2.971 -0.657 1.00 0.00 O ATOM 1005 CB HIS A 23 11.387 2.312 2.664 1.00 0.00 C ATOM 1006 CG HIS A 23 11.014 3.774 2.591 1.00 0.00 C ATOM 1007 ND1 HIS A 23 11.890 4.789 2.931 1.00 0.00 N ATOM 1008 CD2 HIS A 23 9.851 4.378 2.212 1.00 0.00 C ATOM 1009 CE1 HIS A 23 11.272 5.949 2.762 1.00 0.00 C ATOM 1010 NE2 HIS A 23 10.008 5.692 2.317 1.00 0.00 N ATOM 0 H HIS A 23 13.400 3.126 0.776 1.00 0.00 H new ATOM 0 HA HIS A 23 11.904 0.659 1.454 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.509 1.738 2.958 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.133 2.176 3.447 1.00 0.00 H new ATOM 0 HD1 HIS A 23 12.849 4.666 3.256 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.955 3.873 1.883 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.695 6.926 2.944 1.00 0.00 H new ATOM 1018 N ILE A 24 9.934 1.463 0.040 1.00 0.00 N ATOM 1019 CA ILE A 24 9.021 1.717 -1.062 1.00 0.00 C ATOM 1020 C ILE A 24 7.785 2.448 -0.535 1.00 0.00 C ATOM 1021 O ILE A 24 7.509 2.427 0.664 1.00 0.00 O ATOM 1022 CB ILE A 24 8.698 0.416 -1.800 1.00 0.00 C ATOM 1023 CG1 ILE A 24 7.676 -0.416 -1.023 1.00 0.00 C ATOM 1024 CG2 ILE A 24 9.973 -0.376 -2.100 1.00 0.00 C ATOM 1025 CD1 ILE A 24 7.156 -1.578 -1.873 1.00 0.00 C ATOM 0 H ILE A 24 9.616 0.756 0.703 1.00 0.00 H new ATOM 0 HA ILE A 24 9.487 2.369 -1.801 1.00 0.00 H new ATOM 0 HB ILE A 24 8.244 0.671 -2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.133 -0.803 -0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.843 0.217 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.715 -1.296 -2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.636 0.224 -2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.478 -0.621 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.431 -2.154 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.678 -1.187 -2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.988 -2.222 -2.157 1.00 0.00 H new ATOM 1037 N ALA A 25 7.072 3.078 -1.457 1.00 0.00 N ATOM 1038 CA ALA A 25 5.871 3.815 -1.102 1.00 0.00 C ATOM 1039 C ALA A 25 4.973 2.930 -0.235 1.00 0.00 C ATOM 1040 O ALA A 25 4.346 3.412 0.707 1.00 0.00 O ATOM 1041 CB ALA A 25 5.167 4.290 -2.375 1.00 0.00 C ATOM 0 H ALA A 25 7.303 3.093 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 25 6.123 4.701 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.266 4.843 -2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.836 4.938 -2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.896 3.428 -2.984 1.00 0.00 H new ATOM 1047 N LYS A 26 4.941 1.652 -0.583 1.00 0.00 N ATOM 1048 CA LYS A 26 4.131 0.697 0.152 1.00 0.00 C ATOM 1049 C LYS A 26 4.578 0.674 1.615 1.00 0.00 C ATOM 1050 O LYS A 26 3.747 0.664 2.522 1.00 0.00 O ATOM 1051 CB LYS A 26 4.174 -0.674 -0.526 1.00 0.00 C ATOM 1052 CG LYS A 26 3.812 -0.566 -2.008 1.00 0.00 C ATOM 1053 CD LYS A 26 2.340 -0.913 -2.240 1.00 0.00 C ATOM 1054 CE LYS A 26 2.198 -2.046 -3.258 1.00 0.00 C ATOM 1055 NZ LYS A 26 0.846 -2.035 -3.861 1.00 0.00 N ATOM 0 H LYS A 26 5.463 1.256 -1.365 1.00 0.00 H new ATOM 0 HA LYS A 26 3.084 0.999 0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.170 -1.104 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.481 -1.352 -0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.011 0.446 -2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.444 -1.237 -2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.879 -1.207 -1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.806 -0.031 -2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.951 -1.938 -4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.378 -3.005 -2.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.767 -2.810 -4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.132 -2.160 -3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.688 -1.127 -4.343 1.00 0.00 H new ATOM 1068 N ASN A 27 5.890 0.666 1.800 1.00 0.00 N ATOM 1069 CA ASN A 27 6.458 0.646 3.137 1.00 0.00 C ATOM 1070 C ASN A 27 6.788 2.075 3.569 1.00 0.00 C ATOM 1071 O ASN A 27 7.446 2.284 4.588 1.00 0.00 O ATOM 1072 CB ASN A 27 7.751 -0.171 3.174 1.00 0.00 C ATOM 1073 CG ASN A 27 7.484 -1.638 2.833 1.00 0.00 C ATOM 1074 OD1 ASN A 27 6.609 -2.283 3.389 1.00 0.00 O ATOM 1075 ND2 ASN A 27 8.282 -2.129 1.889 1.00 0.00 N ATOM 0 H ASN A 27 6.576 0.673 1.045 1.00 0.00 H new ATOM 0 HA ASN A 27 5.727 0.194 3.807 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.469 0.245 2.467 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.201 -0.100 4.164 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.182 -3.099 1.590 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.994 -1.536 1.464 1.00 0.00 H new ATOM 1082 N CYS A 28 6.317 3.024 2.772 1.00 0.00 N ATOM 1083 CA CYS A 28 6.555 4.428 3.060 1.00 0.00 C ATOM 1084 C CYS A 28 5.496 4.900 4.058 1.00 0.00 C ATOM 1085 O CYS A 28 4.303 4.694 3.847 1.00 0.00 O ATOM 1086 CB CYS A 28 6.554 5.274 1.784 1.00 0.00 C ATOM 1087 SG CYS A 28 7.000 7.004 2.181 1.00 0.00 S ATOM 0 H CYS A 28 5.772 2.848 1.928 1.00 0.00 H new ATOM 0 HA CYS A 28 7.545 4.550 3.499 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.262 4.863 1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.570 5.241 1.317 1.00 0.00 H new ATOM 1092 N ARG A 29 5.973 5.525 5.126 1.00 0.00 N ATOM 1093 CA ARG A 29 5.083 6.027 6.158 1.00 0.00 C ATOM 1094 C ARG A 29 4.279 7.218 5.631 1.00 0.00 C ATOM 1095 O ARG A 29 3.165 7.471 6.090 1.00 0.00 O ATOM 1096 CB ARG A 29 5.867 6.460 7.399 1.00 0.00 C ATOM 1097 CG ARG A 29 4.946 6.581 8.614 1.00 0.00 C ATOM 1098 CD ARG A 29 5.726 7.034 9.850 1.00 0.00 C ATOM 1099 NE ARG A 29 4.797 7.260 10.981 1.00 0.00 N ATOM 1100 CZ ARG A 29 5.189 7.406 12.264 1.00 0.00 C ATOM 1101 NH1 ARG A 29 6.497 7.350 12.592 1.00 0.00 N ATOM 1102 NH2 ARG A 29 4.273 7.604 13.193 1.00 0.00 N ATOM 0 H ARG A 29 6.964 5.695 5.298 1.00 0.00 H new ATOM 0 HA ARG A 29 4.405 5.219 6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.655 5.736 7.606 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.354 7.417 7.210 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.149 7.293 8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.470 5.620 8.812 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.465 6.279 10.121 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.273 7.951 9.629 1.00 0.00 H new ATOM 0 HE ARG A 29 3.799 7.308 10.778 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.198 7.196 11.867 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.784 7.461 13.564 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.287 7.645 12.936 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.551 7.716 14.168 1.00 0.00 H new ATOM 1115 N ALA A 30 4.874 7.917 4.676 1.00 0.00 N ATOM 1116 CA ALA A 30 4.226 9.075 4.082 1.00 0.00 C ATOM 1117 C ALA A 30 2.962 8.625 3.346 1.00 0.00 C ATOM 1118 O ALA A 30 2.868 7.479 2.908 1.00 0.00 O ATOM 1119 CB ALA A 30 5.212 9.795 3.161 1.00 0.00 C ATOM 0 H ALA A 30 5.797 7.704 4.299 1.00 0.00 H new ATOM 0 HA ALA A 30 3.924 9.783 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.726 10.663 2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.078 10.120 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.536 9.116 2.372 1.00 0.00 H new ATOM 1125 N PRO A 31 1.996 9.576 3.229 1.00 0.00 N ATOM 1126 CA PRO A 31 0.742 9.289 2.554 1.00 0.00 C ATOM 1127 C PRO A 31 0.934 9.247 1.036 1.00 0.00 C ATOM 1128 O PRO A 31 1.843 9.883 0.504 1.00 0.00 O ATOM 1129 CB PRO A 31 -0.206 10.388 3.003 1.00 0.00 C ATOM 1130 CG PRO A 31 0.674 11.504 3.541 1.00 0.00 C ATOM 1131 CD PRO A 31 2.072 10.943 3.736 1.00 0.00 C ATOM 0 HA PRO A 31 0.342 8.308 2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.818 10.739 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.889 10.025 3.771 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.693 12.343 2.846 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.279 11.880 4.485 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.813 11.527 3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.363 10.960 4.786 1.00 0.00 H new ATOM 1139 N ARG A 32 0.062 8.494 0.383 1.00 0.00 N ATOM 1140 CA ARG A 32 0.123 8.361 -1.064 1.00 0.00 C ATOM 1141 C ARG A 32 0.049 9.739 -1.726 1.00 0.00 C ATOM 1142 O ARG A 32 -1.013 10.361 -1.756 1.00 0.00 O ATOM 1143 CB ARG A 32 -1.019 7.489 -1.586 1.00 0.00 C ATOM 1144 CG ARG A 32 -1.124 6.188 -0.787 1.00 0.00 C ATOM 1145 CD ARG A 32 -0.897 4.972 -1.688 1.00 0.00 C ATOM 1146 NE ARG A 32 0.394 4.330 -1.355 1.00 0.00 N ATOM 1147 CZ ARG A 32 0.692 3.813 -0.144 1.00 0.00 C ATOM 1148 NH1 ARG A 32 -0.208 3.860 0.861 1.00 0.00 N ATOM 1149 NH2 ARG A 32 1.877 3.262 0.043 1.00 0.00 N ATOM 0 H ARG A 32 -0.691 7.969 0.828 1.00 0.00 H new ATOM 0 HA ARG A 32 1.071 7.884 -1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.959 8.037 -1.521 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.855 7.261 -2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.389 6.191 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.107 6.121 -0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.711 4.258 -1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.901 5.278 -2.734 1.00 0.00 H new ATOM 0 HE ARG A 32 1.103 4.275 -2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.121 4.288 0.708 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.025 3.467 1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.552 3.231 -0.721 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.118 2.867 0.952 1.00 0.00 H new ATOM 1162 N LYS A 33 1.188 10.175 -2.241 1.00 0.00 N ATOM 1163 CA LYS A 33 1.265 11.467 -2.902 1.00 0.00 C ATOM 1164 C LYS A 33 1.857 11.286 -4.301 1.00 0.00 C ATOM 1165 O LYS A 33 2.123 10.162 -4.725 1.00 0.00 O ATOM 1166 CB LYS A 33 2.031 12.468 -2.035 1.00 0.00 C ATOM 1167 CG LYS A 33 1.079 13.480 -1.395 1.00 0.00 C ATOM 1168 CD LYS A 33 1.460 13.745 0.064 1.00 0.00 C ATOM 1169 CE LYS A 33 0.888 15.079 0.546 1.00 0.00 C ATOM 1170 NZ LYS A 33 1.100 15.237 2.003 1.00 0.00 N ATOM 0 H LYS A 33 2.066 9.657 -2.214 1.00 0.00 H new ATOM 0 HA LYS A 33 0.268 11.889 -3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.579 11.936 -1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.769 12.991 -2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.104 14.414 -1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.057 13.105 -1.445 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.088 12.937 0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.545 13.753 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.365 15.901 0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.177 15.128 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.736 16.162 2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.596 14.482 2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.117 15.178 2.214 1.00 0.00 H new ATOM 1183 N LYS A 34 2.046 12.408 -4.978 1.00 0.00 N ATOM 1184 CA LYS A 34 2.602 12.387 -6.321 1.00 0.00 C ATOM 1185 C LYS A 34 3.433 13.653 -6.544 1.00 0.00 C ATOM 1186 O LYS A 34 3.220 14.377 -7.516 1.00 0.00 O ATOM 1187 CB LYS A 34 1.494 12.188 -7.356 1.00 0.00 C ATOM 1188 CG LYS A 34 1.011 10.737 -7.370 1.00 0.00 C ATOM 1189 CD LYS A 34 0.391 10.378 -8.723 1.00 0.00 C ATOM 1190 CE LYS A 34 -1.070 10.825 -8.791 1.00 0.00 C ATOM 1191 NZ LYS A 34 -1.965 9.746 -8.317 1.00 0.00 N ATOM 0 H LYS A 34 1.824 13.338 -4.622 1.00 0.00 H new ATOM 0 HA LYS A 34 3.275 11.538 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.658 12.851 -7.131 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.862 12.462 -8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.847 10.070 -7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.277 10.587 -6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.958 10.852 -9.524 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.454 9.301 -8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.212 11.717 -8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.327 11.095 -9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.953 10.066 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.841 8.904 -8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.730 9.508 -7.332 1.00 0.00 H new ATOM 1204 N GLY A 35 4.362 13.882 -5.628 1.00 0.00 N ATOM 1205 CA GLY A 35 5.226 15.048 -5.713 1.00 0.00 C ATOM 1206 C GLY A 35 6.587 14.679 -6.304 1.00 0.00 C ATOM 1207 O GLY A 35 7.232 13.735 -5.849 1.00 0.00 O ATOM 0 H GLY A 35 4.536 13.280 -4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.753 15.812 -6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.361 15.478 -4.721 1.00 0.00 H new ATOM 1211 N CYS A 36 6.986 15.444 -7.311 1.00 0.00 N ATOM 1212 CA CYS A 36 8.259 15.210 -7.969 1.00 0.00 C ATOM 1213 C CYS A 36 9.377 15.440 -6.950 1.00 0.00 C ATOM 1214 O CYS A 36 9.532 16.546 -6.433 1.00 0.00 O ATOM 1215 CB CYS A 36 8.426 16.092 -9.208 1.00 0.00 C ATOM 1216 SG CYS A 36 10.129 15.941 -9.860 1.00 0.00 S ATOM 0 H CYS A 36 6.449 16.226 -7.686 1.00 0.00 H new ATOM 0 HA CYS A 36 8.302 14.181 -8.327 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.708 15.798 -9.973 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.215 17.131 -8.956 1.00 0.00 H new ATOM 1221 N TRP A 37 10.127 14.379 -6.692 1.00 0.00 N ATOM 1222 CA TRP A 37 11.226 14.453 -5.744 1.00 0.00 C ATOM 1223 C TRP A 37 12.455 14.985 -6.485 1.00 0.00 C ATOM 1224 O TRP A 37 13.577 14.555 -6.222 1.00 0.00 O ATOM 1225 CB TRP A 37 11.470 13.095 -5.081 1.00 0.00 C ATOM 1226 CG TRP A 37 10.469 12.012 -5.493 1.00 0.00 C ATOM 1227 CD1 TRP A 37 9.218 11.834 -5.049 1.00 0.00 C ATOM 1228 CD2 TRP A 37 10.689 10.961 -6.457 1.00 0.00 C ATOM 1229 NE1 TRP A 37 8.617 10.748 -5.652 1.00 0.00 N ATOM 1230 CE2 TRP A 37 9.540 10.200 -6.536 1.00 0.00 C ATOM 1231 CE3 TRP A 37 11.821 10.662 -7.235 1.00 0.00 C ATOM 1232 CZ2 TRP A 37 9.412 9.091 -7.380 1.00 0.00 C ATOM 1233 CZ3 TRP A 37 11.676 9.551 -8.075 1.00 0.00 C ATOM 1234 CH2 TRP A 37 10.527 8.775 -8.166 1.00 0.00 C ATOM 0 H TRP A 37 9.996 13.464 -7.123 1.00 0.00 H new ATOM 0 HA TRP A 37 10.987 15.137 -4.929 1.00 0.00 H new ATOM 0 HB2 TRP A 37 12.477 12.758 -5.327 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.431 13.218 -3.999 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.740 12.462 -4.312 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.670 10.410 -5.481 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.730 11.243 -7.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 8.502 8.510 -7.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.516 9.278 -8.696 1.00 0.00 H new ATOM 0 HH2 TRP A 37 10.494 7.932 -8.840 1.00 0.00 H new ATOM 1245 N LYS A 38 12.201 15.913 -7.395 1.00 0.00 N ATOM 1246 CA LYS A 38 13.272 16.509 -8.175 1.00 0.00 C ATOM 1247 C LYS A 38 13.142 18.033 -8.132 1.00 0.00 C ATOM 1248 O LYS A 38 14.119 18.735 -7.877 1.00 0.00 O ATOM 1249 CB LYS A 38 13.287 15.933 -9.593 1.00 0.00 C ATOM 1250 CG LYS A 38 14.710 15.573 -10.024 1.00 0.00 C ATOM 1251 CD LYS A 38 15.051 14.131 -9.645 1.00 0.00 C ATOM 1252 CE LYS A 38 16.352 14.067 -8.844 1.00 0.00 C ATOM 1253 NZ LYS A 38 17.009 12.753 -9.026 1.00 0.00 N ATOM 0 H LYS A 38 11.269 16.267 -7.610 1.00 0.00 H new ATOM 0 HA LYS A 38 14.241 16.259 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.655 15.046 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.865 16.659 -10.288 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.811 15.703 -11.102 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.419 16.254 -9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.238 13.703 -9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.145 13.527 -10.547 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.023 14.863 -9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.144 14.233 -7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.891 12.727 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.373 11.998 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.225 12.610 -10.033 1.00 0.00 H new ATOM 1266 N CYS A 39 11.928 18.498 -8.386 1.00 0.00 N ATOM 1267 CA CYS A 39 11.658 19.926 -8.379 1.00 0.00 C ATOM 1268 C CYS A 39 10.798 20.247 -7.155 1.00 0.00 C ATOM 1269 O CYS A 39 10.901 21.333 -6.587 1.00 0.00 O ATOM 1270 CB CYS A 39 10.993 20.382 -9.680 1.00 0.00 C ATOM 1271 SG CYS A 39 9.514 19.360 -10.018 1.00 0.00 S ATOM 0 H CYS A 39 11.121 17.912 -8.598 1.00 0.00 H new ATOM 0 HA CYS A 39 12.597 20.476 -8.316 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.710 21.432 -9.605 1.00 0.00 H new ATOM 0 HB3 CYS A 39 11.698 20.300 -10.507 1.00 0.00 H new ATOM 1276 N GLY A 40 9.969 19.281 -6.785 1.00 0.00 N ATOM 1277 CA GLY A 40 9.091 19.447 -5.639 1.00 0.00 C ATOM 1278 C GLY A 40 7.697 19.899 -6.077 1.00 0.00 C ATOM 1279 O GLY A 40 6.953 20.481 -5.290 1.00 0.00 O ATOM 0 H GLY A 40 9.887 18.381 -7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.017 18.506 -5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.516 20.180 -4.954 1.00 0.00 H new ATOM 1283 N LYS A 41 7.384 19.613 -7.332 1.00 0.00 N ATOM 1284 CA LYS A 41 6.093 19.983 -7.884 1.00 0.00 C ATOM 1285 C LYS A 41 5.141 18.788 -7.788 1.00 0.00 C ATOM 1286 O LYS A 41 5.490 17.678 -8.187 1.00 0.00 O ATOM 1287 CB LYS A 41 6.252 20.528 -9.305 1.00 0.00 C ATOM 1288 CG LYS A 41 5.520 21.862 -9.466 1.00 0.00 C ATOM 1289 CD LYS A 41 4.698 21.883 -10.757 1.00 0.00 C ATOM 1290 CE LYS A 41 3.317 22.495 -10.518 1.00 0.00 C ATOM 1291 NZ LYS A 41 3.182 23.773 -11.251 1.00 0.00 N ATOM 0 H LYS A 41 8.003 19.129 -7.982 1.00 0.00 H new ATOM 0 HA LYS A 41 5.650 20.793 -7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.310 20.660 -9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.861 19.806 -10.021 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.865 22.027 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.242 22.678 -9.477 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.226 22.456 -11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.589 20.868 -11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.543 21.799 -10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.167 22.663 -9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.239 24.175 -11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.908 24.440 -10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.304 23.603 -12.270 1.00 0.00 H new ATOM 1304 N GLU A 42 3.957 19.056 -7.256 1.00 0.00 N ATOM 1305 CA GLU A 42 2.953 18.018 -7.102 1.00 0.00 C ATOM 1306 C GLU A 42 2.073 17.941 -8.352 1.00 0.00 C ATOM 1307 O GLU A 42 1.461 18.932 -8.745 1.00 0.00 O ATOM 1308 CB GLU A 42 2.108 18.254 -5.849 1.00 0.00 C ATOM 1309 CG GLU A 42 1.257 19.518 -5.992 1.00 0.00 C ATOM 1310 CD GLU A 42 0.515 19.828 -4.690 1.00 0.00 C ATOM 1311 OE1 GLU A 42 -0.510 19.197 -4.395 1.00 0.00 O ATOM 1312 OE2 GLU A 42 1.041 20.764 -3.973 1.00 0.00 O ATOM 0 H GLU A 42 3.671 19.978 -6.926 1.00 0.00 H new ATOM 0 HA GLU A 42 3.462 17.062 -6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.462 17.394 -5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.758 18.346 -4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.893 20.361 -6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.539 19.388 -6.802 1.00 0.00 H new ATOM 1320 N GLY A 43 2.037 16.754 -8.940 1.00 0.00 N ATOM 1321 CA GLY A 43 1.242 16.536 -10.136 1.00 0.00 C ATOM 1322 C GLY A 43 2.022 15.724 -11.172 1.00 0.00 C ATOM 1323 O GLY A 43 1.490 14.782 -11.757 1.00 0.00 O ATOM 0 H GLY A 43 2.546 15.934 -8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.322 16.012 -9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.952 17.495 -10.564 1.00 0.00 H new ATOM 1327 N HIS A 44 3.271 16.120 -11.368 1.00 0.00 N ATOM 1328 CA HIS A 44 4.131 15.442 -12.324 1.00 0.00 C ATOM 1329 C HIS A 44 5.143 14.571 -11.576 1.00 0.00 C ATOM 1330 O HIS A 44 5.205 14.601 -10.348 1.00 0.00 O ATOM 1331 CB HIS A 44 4.795 16.446 -13.268 1.00 0.00 C ATOM 1332 CG HIS A 44 5.987 17.154 -12.670 1.00 0.00 C ATOM 1333 ND1 HIS A 44 5.918 18.441 -12.163 1.00 0.00 N ATOM 1334 CD2 HIS A 44 7.276 16.743 -12.502 1.00 0.00 C ATOM 1335 CE1 HIS A 44 7.119 18.778 -11.715 1.00 0.00 C ATOM 1336 NE2 HIS A 44 7.959 17.725 -11.926 1.00 0.00 N ATOM 0 H HIS A 44 3.709 16.902 -10.881 1.00 0.00 H new ATOM 0 HA HIS A 44 3.532 14.784 -12.953 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.110 15.926 -14.172 1.00 0.00 H new ATOM 0 HB3 HIS A 44 4.057 17.189 -13.569 1.00 0.00 H new ATOM 0 HD1 HIS A 44 5.085 19.029 -12.139 1.00 0.00 H new ATOM 0 HD2 HIS A 44 7.674 15.781 -12.789 1.00 0.00 H new ATOM 0 HE1 HIS A 44 7.386 19.722 -11.262 1.00 0.00 H new ATOM 1344 N GLN A 45 5.913 13.818 -12.348 1.00 0.00 N ATOM 1345 CA GLN A 45 6.919 12.942 -11.775 1.00 0.00 C ATOM 1346 C GLN A 45 8.281 13.202 -12.422 1.00 0.00 C ATOM 1347 O GLN A 45 8.358 13.802 -13.493 1.00 0.00 O ATOM 1348 CB GLN A 45 6.515 11.473 -11.918 1.00 0.00 C ATOM 1349 CG GLN A 45 6.626 11.015 -13.374 1.00 0.00 C ATOM 1350 CD GLN A 45 5.446 10.119 -13.758 1.00 0.00 C ATOM 1351 OE1 GLN A 45 4.290 10.458 -13.570 1.00 0.00 O ATOM 1352 NE2 GLN A 45 5.802 8.960 -14.306 1.00 0.00 N ATOM 0 H GLN A 45 5.860 13.797 -13.366 1.00 0.00 H new ATOM 0 HA GLN A 45 6.997 13.160 -10.710 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.153 10.853 -11.288 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.492 11.337 -11.567 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.656 11.884 -14.031 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.561 10.473 -13.518 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.789 8.739 -14.435 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.088 8.293 -14.597 1.00 0.00 H new ATOM 1361 N MET A 46 9.320 12.735 -11.747 1.00 0.00 N ATOM 1362 CA MET A 46 10.676 12.909 -12.244 1.00 0.00 C ATOM 1363 C MET A 46 10.787 12.456 -13.701 1.00 0.00 C ATOM 1364 O MET A 46 11.409 13.132 -14.519 1.00 0.00 O ATOM 1365 CB MET A 46 11.644 12.098 -11.380 1.00 0.00 C ATOM 1366 CG MET A 46 13.072 12.197 -11.921 1.00 0.00 C ATOM 1367 SD MET A 46 13.370 10.890 -13.099 1.00 0.00 S ATOM 1368 CE MET A 46 14.160 9.690 -12.039 1.00 0.00 C ATOM 0 H MET A 46 9.252 12.236 -10.860 1.00 0.00 H new ATOM 0 HA MET A 46 10.930 13.968 -12.192 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.614 12.462 -10.353 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.331 11.054 -11.358 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.224 13.167 -12.395 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.786 12.128 -11.100 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.415 8.803 -12.620 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.068 10.120 -11.616 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.480 9.413 -11.233 1.00 0.00 H new ATOM 1378 N LYS A 47 10.176 11.314 -13.980 1.00 0.00 N ATOM 1379 CA LYS A 47 10.199 10.762 -15.325 1.00 0.00 C ATOM 1380 C LYS A 47 9.661 11.803 -16.308 1.00 0.00 C ATOM 1381 O LYS A 47 10.149 11.911 -17.432 1.00 0.00 O ATOM 1382 CB LYS A 47 9.450 9.429 -15.370 1.00 0.00 C ATOM 1383 CG LYS A 47 9.472 8.836 -16.779 1.00 0.00 C ATOM 1384 CD LYS A 47 8.138 8.164 -17.112 1.00 0.00 C ATOM 1385 CE LYS A 47 7.026 9.203 -17.276 1.00 0.00 C ATOM 1386 NZ LYS A 47 6.815 9.515 -18.707 1.00 0.00 N ATOM 0 H LYS A 47 9.662 10.756 -13.298 1.00 0.00 H new ATOM 0 HA LYS A 47 11.222 10.537 -15.627 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.905 8.728 -14.670 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.419 9.576 -15.049 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.678 9.622 -17.505 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.280 8.108 -16.859 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.238 7.585 -18.030 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.872 7.463 -16.320 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.101 8.826 -16.840 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.287 10.112 -16.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.986 10.528 -18.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.473 8.955 -19.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.837 9.282 -18.973 1.00 0.00 H new ATOM 1399 N ASP A 48 8.664 12.545 -15.849 1.00 0.00 N ATOM 1400 CA ASP A 48 8.055 13.574 -16.674 1.00 0.00 C ATOM 1401 C ASP A 48 8.329 14.946 -16.056 1.00 0.00 C ATOM 1402 O ASP A 48 7.522 15.865 -16.190 1.00 0.00 O ATOM 1403 CB ASP A 48 6.539 13.388 -16.757 1.00 0.00 C ATOM 1404 CG ASP A 48 6.004 13.045 -18.148 1.00 0.00 C ATOM 1405 OD1 ASP A 48 6.507 12.129 -18.818 1.00 0.00 O ATOM 1406 OD2 ASP A 48 5.015 13.770 -18.547 1.00 0.00 O ATOM 0 H ASP A 48 8.263 12.454 -14.916 1.00 0.00 H new ATOM 0 HA ASP A 48 8.483 13.501 -17.674 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.247 12.596 -16.067 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.057 14.303 -16.414 1.00 0.00 H new ATOM 1412 N CYS A 49 9.472 15.043 -15.391 1.00 0.00 N ATOM 1413 CA CYS A 49 9.864 16.287 -14.753 1.00 0.00 C ATOM 1414 C CYS A 49 9.728 17.416 -15.776 1.00 0.00 C ATOM 1415 O CYS A 49 10.474 17.468 -16.752 1.00 0.00 O ATOM 1416 CB CYS A 49 11.279 16.207 -14.176 1.00 0.00 C ATOM 1417 SG CYS A 49 11.619 17.681 -13.146 1.00 0.00 S ATOM 0 H CYS A 49 10.139 14.279 -15.281 1.00 0.00 H new ATOM 0 HA CYS A 49 9.208 16.485 -13.905 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.386 15.302 -13.577 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.007 16.142 -14.984 1.00 0.00 H new ATOM 1422 N THR A 50 8.769 18.294 -15.518 1.00 0.00 N ATOM 1423 CA THR A 50 8.526 19.419 -16.405 1.00 0.00 C ATOM 1424 C THR A 50 9.583 20.505 -16.192 1.00 0.00 C ATOM 1425 O THR A 50 9.547 21.548 -16.842 1.00 0.00 O ATOM 1426 CB THR A 50 7.096 19.908 -16.167 1.00 0.00 C ATOM 1427 OG1 THR A 50 6.911 20.929 -17.145 1.00 0.00 O ATOM 1428 CG2 THR A 50 6.941 20.638 -14.832 1.00 0.00 C ATOM 0 H THR A 50 8.151 18.249 -14.707 1.00 0.00 H new ATOM 0 HA THR A 50 8.615 19.124 -17.451 1.00 0.00 H new ATOM 0 HB THR A 50 6.413 19.059 -16.198 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.781 21.303 -17.396 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.908 20.964 -14.713 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.205 19.965 -14.016 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.600 21.506 -14.814 1.00 0.00 H new ATOM 1436 N GLU A 51 10.499 20.221 -15.278 1.00 0.00 N ATOM 1437 CA GLU A 51 11.565 21.160 -14.970 1.00 0.00 C ATOM 1438 C GLU A 51 12.734 20.437 -14.301 1.00 0.00 C ATOM 1439 O GLU A 51 13.018 20.662 -13.126 1.00 0.00 O ATOM 1440 CB GLU A 51 11.051 22.303 -14.091 1.00 0.00 C ATOM 1441 CG GLU A 51 11.449 23.663 -14.671 1.00 0.00 C ATOM 1442 CD GLU A 51 10.381 24.178 -15.637 1.00 0.00 C ATOM 1443 OE1 GLU A 51 10.690 24.474 -16.802 1.00 0.00 O ATOM 1444 OE2 GLU A 51 9.194 24.269 -15.142 1.00 0.00 O ATOM 0 H GLU A 51 10.525 19.354 -14.741 1.00 0.00 H new ATOM 0 HA GLU A 51 11.920 21.595 -15.904 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.966 22.243 -14.008 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.454 22.201 -13.083 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.590 24.380 -13.863 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.403 23.576 -15.190 1.00 0.00 H new ATOM 1452 N ARG A 52 13.382 19.581 -15.079 1.00 0.00 N ATOM 1453 CA ARG A 52 14.515 18.822 -14.576 1.00 0.00 C ATOM 1454 C ARG A 52 15.409 19.713 -13.712 1.00 0.00 C ATOM 1455 O ARG A 52 15.313 20.938 -13.771 1.00 0.00 O ATOM 1456 CB ARG A 52 15.342 18.241 -15.725 1.00 0.00 C ATOM 1457 CG ARG A 52 15.973 19.355 -16.563 1.00 0.00 C ATOM 1458 CD ARG A 52 17.464 19.093 -16.788 1.00 0.00 C ATOM 1459 NE ARG A 52 17.794 19.250 -18.223 1.00 0.00 N ATOM 1460 CZ ARG A 52 18.884 18.714 -18.811 1.00 0.00 C ATOM 1461 NH1 ARG A 52 19.760 17.979 -18.092 1.00 0.00 N ATOM 1462 NH2 ARG A 52 19.081 18.916 -20.100 1.00 0.00 N ATOM 0 H ARG A 52 13.144 19.397 -16.054 1.00 0.00 H new ATOM 0 HA ARG A 52 14.124 18.002 -13.974 1.00 0.00 H new ATOM 0 HB2 ARG A 52 16.123 17.595 -15.325 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.707 17.620 -16.357 1.00 0.00 H new ATOM 0 HG2 ARG A 52 15.463 19.426 -17.524 1.00 0.00 H new ATOM 0 HG3 ARG A 52 15.840 20.313 -16.060 1.00 0.00 H new ATOM 0 HD2 ARG A 52 18.058 19.786 -16.192 1.00 0.00 H new ATOM 0 HD3 ARG A 52 17.719 18.087 -16.455 1.00 0.00 H new ATOM 0 HE ARG A 52 17.158 19.797 -18.803 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.600 17.825 -17.096 1.00 0.00 H new ATOM 0 HH12 ARG A 52 20.581 17.578 -18.545 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.414 19.470 -20.637 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.900 18.518 -20.559 1.00 0.00 H new ATOM 1475 N GLN A 53 16.258 19.063 -12.930 1.00 0.00 N ATOM 1476 CA GLN A 53 17.169 19.781 -12.054 1.00 0.00 C ATOM 1477 C GLN A 53 18.367 18.900 -11.697 1.00 0.00 C ATOM 1478 O GLN A 53 18.237 17.951 -10.924 1.00 0.00 O ATOM 1479 CB GLN A 53 16.451 20.266 -10.793 1.00 0.00 C ATOM 1480 CG GLN A 53 16.874 21.692 -10.434 1.00 0.00 C ATOM 1481 CD GLN A 53 17.428 21.757 -9.010 1.00 0.00 C ATOM 1482 OE1 GLN A 53 17.074 20.976 -8.142 1.00 0.00 O ATOM 1483 NE2 GLN A 53 18.314 22.729 -8.818 1.00 0.00 N ATOM 0 H GLN A 53 16.335 18.047 -12.884 1.00 0.00 H new ATOM 0 HA GLN A 53 17.534 20.660 -12.585 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.373 20.231 -10.948 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.675 19.597 -9.963 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.630 22.039 -11.138 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.020 22.363 -10.527 1.00 0.00 H new ATOM 0 HE21 GLN A 53 18.566 23.349 -9.588 1.00 0.00 H new ATOM 0 HE22 GLN A 53 18.742 22.855 -7.901 1.00 0.00 H new ATOM 1492 N ALA A 54 19.508 19.244 -12.277 1.00 0.00 N ATOM 1493 CA ALA A 54 20.729 18.495 -12.030 1.00 0.00 C ATOM 1494 C ALA A 54 21.454 19.094 -10.823 1.00 0.00 C ATOM 1495 O ALA A 54 21.072 20.154 -10.329 1.00 0.00 O ATOM 1496 CB ALA A 54 21.595 18.499 -13.291 1.00 0.00 C ATOM 0 H ALA A 54 19.613 20.031 -12.917 1.00 0.00 H new ATOM 0 HA ALA A 54 20.500 17.455 -11.795 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.511 17.937 -13.105 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.046 18.037 -14.111 1.00 0.00 H new ATOM 0 HB3 ALA A 54 21.847 19.526 -13.556 1.00 0.00 H new ATOM 1502 N ASN A 55 22.488 18.392 -10.385 1.00 0.00 N ATOM 1503 CA ASN A 55 23.269 18.842 -9.245 1.00 0.00 C ATOM 1504 C ASN A 55 24.440 19.694 -9.741 1.00 0.00 C ATOM 1505 O ASN A 55 24.503 20.045 -10.917 1.00 0.00 O ATOM 1506 CB ASN A 55 23.844 17.655 -8.469 1.00 0.00 C ATOM 1507 CG ASN A 55 24.535 18.123 -7.186 1.00 0.00 C ATOM 1508 OD1 ASN A 55 23.975 18.843 -6.376 1.00 0.00 O ATOM 1509 ND2 ASN A 55 25.779 17.673 -7.047 1.00 0.00 N ATOM 0 H ASN A 55 22.804 17.515 -10.799 1.00 0.00 H new ATOM 0 HA ASN A 55 22.613 19.417 -8.591 1.00 0.00 H new ATOM 0 HB2 ASN A 55 23.045 16.956 -8.222 1.00 0.00 H new ATOM 0 HB3 ASN A 55 24.556 17.117 -9.095 1.00 0.00 H new ATOM 0 HD21 ASN A 55 26.324 17.928 -6.224 1.00 0.00 H new ATOM 0 HD22 ASN A 55 26.187 17.073 -7.764 1.00 0.00 H new TER 1516 ASN A 55 HETATM 1517 ZN ZN A 56 9.104 7.295 1.298 1.00 0.00 ZN HETATM 1518 ZN ZN A 57 9.988 17.666 -11.524 1.00 0.00 ZN