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= 0.93 K(o=1.4,f=-3.4!) USER MOD Set 1.2: B 212 G O2' : rot -32:sc= 0.439 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0654 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.049) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -13.8! C(o=-14!,f=-20!) USER MOD Single : A 9 GLN : amide:sc= -3.61 K(o=-3.6,f=-5) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.402 K(o=0.4,f=-5.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -129:sc= 1.22 (180deg=-0.614) USER MOD Single : A 27 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.066) USER MOD Single : A 33 LYS NZ :NH3+ 138:sc= 0 (180deg=-0.689) 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= -2.13 K(o=-2.1,f=-1.2) USER MOD Single : A 46 MET CE :methyl 153:sc= -0.153 (180deg=-0.621) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -34:sc= 0.87 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 55 ASN : amide:sc=-0.00164 X(o=-0.0016,f=0) USER MOD Single : B 201 G O2' : rot -1:sc= 0.157 USER MOD Single : B 202 G O2' : rot -22:sc= 0.518 USER MOD Single : B 203 A O2' : rot 7:sc= -0.858 USER MOD Single : B 204 C O2' : rot -132:sc= 1.29 USER MOD Single : B 205 U O2' : rot -8:sc= -0.633 USER MOD Single : B 206 A O2' : rot 15:sc= -2.16 USER MOD Single : B 207 G O2' : rot -12:sc= 0.649 USER MOD Single : B 208 C O2' : rot -130:sc= 1.12 USER MOD Single : B 209 G O2' : rot -79:sc= 0.698 USER MOD Single : B 210 G O2' : rot 32:sc= 0.621 USER MOD Single : B 211 A O2' : rot -45:sc= 0.884 USER MOD Single : B 213 G O2' : rot -142:sc= 0.656 USER MOD Single : B 214 C O2' : rot 180:sc= -0.803 USER MOD Single : B 215 U O2' : rot -127:sc= -1.31! USER MOD Single : B 216 A O2' : rot -140:sc= -0.328 USER MOD Single : B 217 G O2' : rot -119:sc= 0.705 USER MOD Single : B 218 U O2' : rot 3:sc= -0.91 USER MOD Single : B 219 C O2' : rot -7:sc= 0.434 USER MOD Single : B 220 C O2' : rot 30:sc= 0.618 USER MOD Single : B 220 C O3' : rot 43:sc= 0.46 USER MOD ----------------------------------------------------------------- ATOM 1 P G B 201 -0.581 -17.984 -7.259 1.00 0.00 P ATOM 2 OP1 G B 201 -0.136 -16.577 -7.364 1.00 0.00 O ATOM 3 OP2 G B 201 -0.353 -18.862 -8.429 1.00 0.00 O ATOM 4 O5' G B 201 0.154 -18.642 -5.998 1.00 0.00 O ATOM 5 C5' G B 201 -0.112 -18.156 -4.685 1.00 0.00 C ATOM 6 C4' G B 201 0.539 -19.053 -3.657 1.00 0.00 C ATOM 7 O4' G B 201 0.830 -20.422 -3.693 1.00 0.00 O ATOM 8 C3' G B 201 1.907 -18.573 -3.178 1.00 0.00 C ATOM 9 O3' G B 201 1.771 -17.298 -2.553 1.00 0.00 O ATOM 10 C2' G B 201 2.376 -19.619 -2.204 1.00 0.00 C ATOM 11 O2' G B 201 1.681 -19.277 -1.026 1.00 0.00 O ATOM 12 C1' G B 201 1.899 -20.890 -2.901 1.00 0.00 C ATOM 13 N9 G B 201 2.939 -21.531 -3.732 1.00 0.00 N ATOM 14 C8 G B 201 3.604 -20.990 -4.774 1.00 0.00 C ATOM 15 N7 G B 201 4.480 -21.831 -5.316 1.00 0.00 N ATOM 16 C5 G B 201 4.354 -22.967 -4.562 1.00 0.00 C ATOM 17 C6 G B 201 5.010 -24.214 -4.635 1.00 0.00 C ATOM 18 O6 G B 201 5.877 -24.517 -5.453 1.00 0.00 O ATOM 19 N1 G B 201 4.655 -25.162 -3.726 1.00 0.00 N ATOM 20 C2 G B 201 3.704 -24.858 -2.813 1.00 0.00 C ATOM 21 N2 G B 201 3.470 -25.883 -1.998 1.00 0.00 N ATOM 22 N3 G B 201 3.018 -23.710 -2.653 1.00 0.00 N ATOM 23 C4 G B 201 3.419 -22.807 -3.590 1.00 0.00 C ATOM 0 H5' G B 201 -1.188 -18.116 -4.515 1.00 0.00 H new ATOM 0 H5'' G B 201 0.265 -17.139 -4.582 1.00 0.00 H new ATOM 0 H4' G B 201 -0.399 -18.955 -3.111 1.00 0.00 H new ATOM 0 H3' G B 201 2.623 -18.451 -3.991 1.00 0.00 H new ATOM 0 H2' G B 201 3.431 -19.718 -1.950 1.00 0.00 H new ATOM 0 HO2' G B 201 1.130 -18.484 -1.190 1.00 0.00 H new ATOM 0 H1' G B 201 1.624 -21.669 -2.190 1.00 0.00 H new ATOM 0 H8 G B 201 3.442 -19.983 -5.129 1.00 0.00 H new ATOM 0 H1 G B 201 5.096 -26.082 -3.733 1.00 0.00 H new ATOM 0 H21 G B 201 2.774 -25.797 -1.257 1.00 0.00 H new ATOM 0 H22 G B 201 3.986 -26.755 -2.114 1.00 0.00 H new ATOM 35 P G B 202 2.790 -16.119 -2.911 1.00 0.00 P ATOM 36 OP1 G B 202 2.112 -14.812 -2.764 1.00 0.00 O ATOM 37 OP2 G B 202 3.450 -16.405 -4.205 1.00 0.00 O ATOM 38 O5' G B 202 3.893 -16.235 -1.757 1.00 0.00 O ATOM 39 C5' G B 202 3.503 -16.578 -0.429 1.00 0.00 C ATOM 40 C4' G B 202 4.523 -17.508 0.188 1.00 0.00 C ATOM 41 O4' G B 202 4.614 -18.696 -0.450 1.00 0.00 O ATOM 42 C3' G B 202 5.970 -17.055 0.022 1.00 0.00 C ATOM 43 O3' G B 202 6.294 -16.118 1.047 1.00 0.00 O ATOM 44 C2' G B 202 6.793 -18.307 0.139 1.00 0.00 C ATOM 45 O2' G B 202 6.927 -18.462 1.534 1.00 0.00 O ATOM 46 C1' G B 202 5.877 -19.315 -0.548 1.00 0.00 C ATOM 47 N9 G B 202 6.236 -19.574 -1.958 1.00 0.00 N ATOM 48 C8 G B 202 6.061 -18.750 -3.013 1.00 0.00 C ATOM 49 N7 G B 202 6.492 -19.279 -4.154 1.00 0.00 N ATOM 50 C5 G B 202 6.964 -20.511 -3.787 1.00 0.00 C ATOM 51 C6 G B 202 7.549 -21.550 -4.542 1.00 0.00 C ATOM 52 O6 G B 202 7.750 -21.523 -5.755 1.00 0.00 O ATOM 53 N1 G B 202 7.923 -22.676 -3.873 1.00 0.00 N ATOM 54 C2 G B 202 7.714 -22.732 -2.538 1.00 0.00 C ATOM 55 N2 G B 202 8.131 -23.891 -2.033 1.00 0.00 N ATOM 56 N3 G B 202 7.170 -21.809 -1.724 1.00 0.00 N ATOM 57 C4 G B 202 6.818 -20.712 -2.451 1.00 0.00 C ATOM 0 H5' G B 202 2.524 -17.056 -0.441 1.00 0.00 H new ATOM 0 H5'' G B 202 3.409 -15.676 0.175 1.00 0.00 H new ATOM 0 H4' G B 202 4.168 -17.542 1.218 1.00 0.00 H new ATOM 0 H3' G B 202 6.153 -16.557 -0.930 1.00 0.00 H new ATOM 0 H2' G B 202 7.790 -18.366 -0.298 1.00 0.00 H new ATOM 0 HO2' G B 202 6.787 -17.598 1.974 1.00 0.00 H new ATOM 0 H1' G B 202 5.933 -20.300 -0.085 1.00 0.00 H new ATOM 0 H8 G B 202 5.619 -17.768 -2.938 1.00 0.00 H new ATOM 0 H1 G B 202 8.351 -23.459 -4.367 1.00 0.00 H new ATOM 0 H21 G B 202 8.037 -24.075 -1.034 1.00 0.00 H new ATOM 0 H22 G B 202 8.545 -24.594 -2.645 1.00 0.00 H new ATOM 69 P A B 203 7.310 -14.919 0.743 1.00 0.00 P ATOM 70 OP1 A B 203 7.329 -13.980 1.887 1.00 0.00 O ATOM 71 OP2 A B 203 7.029 -14.356 -0.597 1.00 0.00 O ATOM 72 O5' A B 203 8.729 -15.656 0.683 1.00 0.00 O ATOM 73 C5' A B 203 9.396 -16.019 1.890 1.00 0.00 C ATOM 74 C4' A B 203 10.682 -16.748 1.575 1.00 0.00 C ATOM 75 O4' A B 203 10.285 -17.712 0.698 1.00 0.00 O ATOM 76 C3' A B 203 11.603 -16.010 0.607 1.00 0.00 C ATOM 77 O3' A B 203 12.518 -15.204 1.346 1.00 0.00 O ATOM 78 C2' A B 203 12.315 -17.089 -0.163 1.00 0.00 C ATOM 79 O2' A B 203 13.378 -17.433 0.698 1.00 0.00 O ATOM 80 C1' A B 203 11.206 -18.130 -0.285 1.00 0.00 C ATOM 81 N9 A B 203 10.579 -18.168 -1.623 1.00 0.00 N ATOM 82 C8 A B 203 9.686 -17.295 -2.135 1.00 0.00 C ATOM 83 N7 A B 203 9.313 -17.610 -3.371 1.00 0.00 N ATOM 84 C5 A B 203 10.017 -18.751 -3.646 1.00 0.00 C ATOM 85 C6 A B 203 10.056 -19.571 -4.795 1.00 0.00 C ATOM 86 N6 A B 203 9.338 -19.347 -5.925 1.00 0.00 N ATOM 87 N1 A B 203 10.874 -20.658 -4.760 1.00 0.00 N ATOM 88 C2 A B 203 11.592 -20.890 -3.637 1.00 0.00 C ATOM 89 N3 A B 203 11.632 -20.181 -2.494 1.00 0.00 N ATOM 90 C4 A B 203 10.797 -19.111 -2.593 1.00 0.00 C ATOM 0 H5' A B 203 8.749 -16.653 2.496 1.00 0.00 H new ATOM 0 H5'' A B 203 9.610 -15.127 2.479 1.00 0.00 H new ATOM 0 H4' A B 203 11.161 -16.978 2.527 1.00 0.00 H new ATOM 0 H3' A B 203 11.065 -15.342 -0.066 1.00 0.00 H new ATOM 0 H2' A B 203 12.737 -16.891 -1.148 1.00 0.00 H new ATOM 0 HO2' A B 203 13.271 -16.966 1.553 1.00 0.00 H new ATOM 0 H1' A B 203 11.579 -19.145 -0.148 1.00 0.00 H new ATOM 0 H8 A B 203 9.315 -16.434 -1.599 1.00 0.00 H new ATOM 0 H61 A B 203 9.419 -19.986 -6.716 1.00 0.00 H new ATOM 0 H62 A B 203 8.717 -18.540 -5.983 1.00 0.00 H new ATOM 0 H2 A B 203 12.221 -21.767 -3.661 1.00 0.00 H new ATOM 102 P C B 204 13.030 -13.814 0.739 1.00 0.00 P ATOM 103 OP1 C B 204 13.637 -12.996 1.812 1.00 0.00 O ATOM 104 OP2 C B 204 11.954 -13.196 -0.066 1.00 0.00 O ATOM 105 O5' C B 204 14.197 -14.266 -0.258 1.00 0.00 O ATOM 106 C5' C B 204 15.227 -15.142 0.198 1.00 0.00 C ATOM 107 C4' C B 204 15.752 -15.970 -0.952 1.00 0.00 C ATOM 108 O4' C B 204 15.075 -16.937 -1.511 1.00 0.00 O ATOM 109 C3' C B 204 16.151 -15.160 -2.182 1.00 0.00 C ATOM 110 O3' C B 204 17.380 -14.483 -1.926 1.00 0.00 O ATOM 111 C2' C B 204 16.294 -16.166 -3.290 1.00 0.00 C ATOM 112 O2' C B 204 17.629 -16.597 -3.145 1.00 0.00 O ATOM 113 C1' C B 204 15.230 -17.183 -2.890 1.00 0.00 C ATOM 114 N1 C B 204 13.951 -17.012 -3.611 1.00 0.00 N ATOM 115 C2 C B 204 13.674 -17.889 -4.659 1.00 0.00 C ATOM 116 O2 C B 204 14.504 -18.761 -4.934 1.00 0.00 O ATOM 117 N3 C B 204 12.516 -17.751 -5.329 1.00 0.00 N ATOM 118 C4 C B 204 11.642 -16.815 -5.021 1.00 0.00 C ATOM 119 N4 C B 204 10.504 -16.696 -5.694 1.00 0.00 N ATOM 120 C5 C B 204 11.904 -15.893 -3.939 1.00 0.00 C ATOM 121 C6 C B 204 13.062 -16.042 -3.281 1.00 0.00 C ATOM 0 H5' C B 204 14.840 -15.796 0.980 1.00 0.00 H new ATOM 0 H5'' C B 204 16.038 -14.563 0.640 1.00 0.00 H new ATOM 0 H4' C B 204 16.537 -16.410 -0.337 1.00 0.00 H new ATOM 0 H3' C B 204 15.419 -14.396 -2.444 1.00 0.00 H new ATOM 0 H2' C B 204 16.149 -15.879 -4.332 1.00 0.00 H new ATOM 0 HO2' C B 204 18.077 -16.574 -4.017 1.00 0.00 H new ATOM 0 H1' C B 204 15.526 -18.203 -3.134 1.00 0.00 H new ATOM 0 H41 C B 204 9.837 -15.966 -5.443 1.00 0.00 H new ATOM 0 H42 C B 204 10.296 -17.335 -6.462 1.00 0.00 H new ATOM 0 H5 C B 204 11.199 -15.119 -3.673 1.00 0.00 H new ATOM 0 H6 C B 204 13.294 -15.372 -2.466 1.00 0.00 H new ATOM 133 P U B 205 17.527 -12.931 -2.286 1.00 0.00 P ATOM 134 OP1 U B 205 18.105 -12.206 -1.132 1.00 0.00 O ATOM 135 OP2 U B 205 16.254 -12.425 -2.844 1.00 0.00 O ATOM 136 O5' U B 205 18.614 -12.936 -3.460 1.00 0.00 O ATOM 137 C5' U B 205 19.635 -13.932 -3.484 1.00 0.00 C ATOM 138 C4' U B 205 19.676 -14.600 -4.839 1.00 0.00 C ATOM 139 O4' U B 205 18.601 -15.419 -5.207 1.00 0.00 O ATOM 140 C3' U B 205 19.542 -13.641 -6.019 1.00 0.00 C ATOM 141 O3' U B 205 20.760 -12.920 -6.186 1.00 0.00 O ATOM 142 C2' U B 205 19.250 -14.513 -7.209 1.00 0.00 C ATOM 143 O2' U B 205 20.528 -14.990 -7.565 1.00 0.00 O ATOM 144 C1' U B 205 18.317 -15.544 -6.581 1.00 0.00 C ATOM 145 N1 U B 205 16.886 -15.290 -6.857 1.00 0.00 N ATOM 146 C2 U B 205 16.321 -16.034 -7.846 1.00 0.00 C ATOM 147 O2 U B 205 16.926 -16.874 -8.492 1.00 0.00 O ATOM 148 N3 U B 205 14.988 -15.798 -8.104 1.00 0.00 N ATOM 149 C4 U B 205 14.236 -14.873 -7.425 1.00 0.00 C ATOM 150 O4 U B 205 13.054 -14.747 -7.741 1.00 0.00 O ATOM 151 C5 U B 205 14.875 -14.124 -6.403 1.00 0.00 C ATOM 152 C6 U B 205 16.167 -14.368 -6.169 1.00 0.00 C ATOM 0 H5' U B 205 19.447 -14.675 -2.709 1.00 0.00 H new ATOM 0 H5'' U B 205 20.602 -13.479 -3.264 1.00 0.00 H new ATOM 0 H4' U B 205 20.622 -15.121 -4.690 1.00 0.00 H new ATOM 0 H3' U B 205 18.754 -12.902 -5.876 1.00 0.00 H new ATOM 0 H2' U B 205 18.788 -14.103 -8.107 1.00 0.00 H new ATOM 0 HO2' U B 205 21.210 -14.521 -7.041 1.00 0.00 H new ATOM 0 H1' U B 205 18.482 -16.543 -6.984 1.00 0.00 H new ATOM 0 H3 U B 205 14.536 -16.341 -8.840 1.00 0.00 H new ATOM 0 H5 U B 205 14.335 -13.382 -5.834 1.00 0.00 H new ATOM 0 H6 U B 205 16.664 -13.804 -5.394 1.00 0.00 H new ATOM 163 P A B 206 20.745 -11.320 -6.223 1.00 0.00 P ATOM 164 OP1 A B 206 22.075 -10.800 -5.835 1.00 0.00 O ATOM 165 OP2 A B 206 19.570 -10.815 -5.479 1.00 0.00 O ATOM 166 O5' A B 206 20.522 -10.999 -7.776 1.00 0.00 O ATOM 167 C5' A B 206 20.905 -11.954 -8.763 1.00 0.00 C ATOM 168 C4' A B 206 20.064 -11.780 -10.007 1.00 0.00 C ATOM 169 O4' A B 206 19.112 -12.377 -10.276 1.00 0.00 O ATOM 170 C3' A B 206 19.703 -10.333 -10.327 1.00 0.00 C ATOM 171 O3' A B 206 20.845 -9.665 -10.860 1.00 0.00 O ATOM 172 C2' A B 206 18.589 -10.414 -11.334 1.00 0.00 C ATOM 173 O2' A B 206 19.258 -10.182 -12.554 1.00 0.00 O ATOM 174 C1' A B 206 18.110 -11.845 -11.112 1.00 0.00 C ATOM 175 N9 A B 206 16.780 -11.928 -10.470 1.00 0.00 N ATOM 176 C8 A B 206 16.493 -11.795 -9.158 1.00 0.00 C ATOM 177 N7 A B 206 15.196 -11.923 -8.901 1.00 0.00 N ATOM 178 C5 A B 206 14.638 -12.149 -10.130 1.00 0.00 C ATOM 179 C6 A B 206 13.301 -12.364 -10.525 1.00 0.00 C ATOM 180 N6 A B 206 12.242 -12.387 -9.675 1.00 0.00 N ATOM 181 N1 A B 206 13.062 -12.563 -11.851 1.00 0.00 N ATOM 182 C2 A B 206 14.111 -12.543 -12.704 1.00 0.00 C ATOM 183 N3 A B 206 15.416 -12.347 -12.441 1.00 0.00 N ATOM 184 C4 A B 206 15.587 -12.156 -11.103 1.00 0.00 C ATOM 0 H5' A B 206 20.783 -12.963 -8.370 1.00 0.00 H new ATOM 0 H5'' A B 206 21.960 -11.833 -9.008 1.00 0.00 H new ATOM 0 H4' A B 206 20.842 -12.269 -10.594 1.00 0.00 H new ATOM 0 H3' A B 206 19.390 -9.770 -9.448 1.00 0.00 H new ATOM 0 H2' A B 206 17.738 -9.734 -11.287 1.00 0.00 H new ATOM 0 HO2' A B 206 20.223 -10.287 -12.423 1.00 0.00 H new ATOM 0 H1' A B 206 17.976 -12.382 -12.051 1.00 0.00 H new ATOM 0 H8 A B 206 17.237 -11.605 -8.399 1.00 0.00 H new ATOM 0 H61 A B 206 11.302 -12.549 -10.036 1.00 0.00 H new ATOM 0 H62 A B 206 12.387 -12.243 -8.676 1.00 0.00 H new ATOM 0 H2 A B 206 13.867 -12.708 -13.743 1.00 0.00 H new ATOM 196 P G B 207 21.233 -8.203 -10.340 1.00 0.00 P ATOM 197 OP1 G B 207 22.629 -7.893 -10.722 1.00 0.00 O ATOM 198 OP2 G B 207 20.871 -8.070 -8.911 1.00 0.00 O ATOM 199 O5' G B 207 20.266 -7.251 -11.186 1.00 0.00 O ATOM 200 C5' G B 207 20.112 -7.456 -12.589 1.00 0.00 C ATOM 201 C4' G B 207 18.646 -7.428 -12.960 1.00 0.00 C ATOM 202 O4' G B 207 17.700 -8.221 -12.744 1.00 0.00 O ATOM 203 C3' G B 207 17.945 -6.106 -12.663 1.00 0.00 C ATOM 204 O3' G B 207 18.600 -5.052 -13.366 1.00 0.00 O ATOM 205 C2' G B 207 16.531 -6.291 -13.138 1.00 0.00 C ATOM 206 O2' G B 207 16.584 -5.810 -14.463 1.00 0.00 O ATOM 207 C1' G B 207 16.378 -7.801 -12.995 1.00 0.00 C ATOM 208 N9 G B 207 15.474 -8.201 -11.896 1.00 0.00 N ATOM 209 C8 G B 207 15.760 -8.254 -10.578 1.00 0.00 C ATOM 210 N7 G B 207 14.727 -8.654 -9.844 1.00 0.00 N ATOM 211 C5 G B 207 13.733 -8.863 -10.763 1.00 0.00 C ATOM 212 C6 G B 207 12.397 -9.294 -10.614 1.00 0.00 C ATOM 213 O6 G B 207 11.855 -9.577 -9.547 1.00 0.00 O ATOM 214 N1 G B 207 11.645 -9.405 -11.743 1.00 0.00 N ATOM 215 C2 G B 207 12.215 -9.100 -12.930 1.00 0.00 C ATOM 216 N2 G B 207 11.356 -9.258 -13.934 1.00 0.00 N ATOM 217 N3 G B 207 13.469 -8.683 -13.188 1.00 0.00 N ATOM 218 C4 G B 207 14.167 -8.592 -12.021 1.00 0.00 C ATOM 0 H5' G B 207 20.549 -8.413 -12.875 1.00 0.00 H new ATOM 0 H5'' G B 207 20.649 -6.683 -13.139 1.00 0.00 H new ATOM 0 H4' G B 207 19.031 -7.766 -13.922 1.00 0.00 H new ATOM 0 H3' G B 207 17.968 -5.842 -11.606 1.00 0.00 H new ATOM 0 H2' G B 207 15.701 -5.793 -12.637 1.00 0.00 H new ATOM 0 HO2' G B 207 17.433 -5.341 -14.607 1.00 0.00 H new ATOM 0 H1' G B 207 15.923 -8.251 -13.878 1.00 0.00 H new ATOM 0 H8 G B 207 16.725 -7.999 -10.164 1.00 0.00 H new ATOM 0 H1 G B 207 10.673 -9.711 -11.694 1.00 0.00 H new ATOM 0 H21 G B 207 11.649 -9.064 -14.891 1.00 0.00 H new ATOM 0 H22 G B 207 10.404 -9.573 -13.746 1.00 0.00 H new ATOM 230 P C B 208 19.269 -3.845 -12.557 1.00 0.00 P ATOM 231 OP1 C B 208 20.353 -3.244 -13.365 1.00 0.00 O ATOM 232 OP2 C B 208 19.607 -4.289 -11.186 1.00 0.00 O ATOM 233 O5' C B 208 18.080 -2.780 -12.453 1.00 0.00 O ATOM 234 C5' C B 208 17.957 -1.750 -13.433 1.00 0.00 C ATOM 235 C4' C B 208 16.578 -1.784 -14.051 1.00 0.00 C ATOM 236 O4' C B 208 15.912 -2.614 -14.238 1.00 0.00 O ATOM 237 C3' C B 208 15.718 -0.562 -13.738 1.00 0.00 C ATOM 238 O3' C B 208 15.916 0.428 -14.745 1.00 0.00 O ATOM 239 C2' C B 208 14.301 -1.066 -13.729 1.00 0.00 C ATOM 240 O2' C B 208 13.714 -0.358 -14.798 1.00 0.00 O ATOM 241 C1' C B 208 14.527 -2.554 -13.975 1.00 0.00 C ATOM 242 N1 C B 208 14.166 -3.404 -12.821 1.00 0.00 N ATOM 243 C2 C B 208 12.885 -3.953 -12.798 1.00 0.00 C ATOM 244 O2 C B 208 12.118 -3.707 -13.735 1.00 0.00 O ATOM 245 N3 C B 208 12.532 -4.731 -11.758 1.00 0.00 N ATOM 246 C4 C B 208 13.363 -4.983 -10.767 1.00 0.00 C ATOM 247 N4 C B 208 12.996 -5.751 -9.749 1.00 0.00 N ATOM 248 C5 C B 208 14.696 -4.425 -10.767 1.00 0.00 C ATOM 249 C6 C B 208 15.033 -3.654 -11.810 1.00 0.00 C ATOM 0 H5' C B 208 18.714 -1.881 -14.206 1.00 0.00 H new ATOM 0 H5'' C B 208 18.135 -0.777 -12.974 1.00 0.00 H new ATOM 0 H4' C B 208 17.140 -1.899 -14.978 1.00 0.00 H new ATOM 0 H3' C B 208 15.971 -0.097 -12.785 1.00 0.00 H new ATOM 0 H2' C B 208 13.664 -0.935 -12.854 1.00 0.00 H new ATOM 0 HO2' C B 208 12.881 0.061 -14.495 1.00 0.00 H new ATOM 0 H1' C B 208 13.899 -2.936 -14.780 1.00 0.00 H new ATOM 0 H41 C B 208 13.650 -5.937 -8.989 1.00 0.00 H new ATOM 0 H42 C B 208 12.060 -6.155 -9.727 1.00 0.00 H new ATOM 0 H5 C B 208 15.390 -4.621 -9.963 1.00 0.00 H new ATOM 0 H6 C B 208 16.022 -3.221 -11.846 1.00 0.00 H new ATOM 261 P G B 209 16.471 1.875 -14.347 1.00 0.00 P ATOM 262 OP1 G B 209 17.328 2.396 -15.435 1.00 0.00 O ATOM 263 OP2 G B 209 17.048 1.829 -12.985 1.00 0.00 O ATOM 264 O5' G B 209 15.143 2.766 -14.292 1.00 0.00 O ATOM 265 C5' G B 209 14.400 2.865 -13.079 1.00 0.00 C ATOM 266 C4' G B 209 12.994 2.348 -13.288 1.00 0.00 C ATOM 267 O4' G B 209 12.296 1.365 -13.654 1.00 0.00 O ATOM 268 C3' G B 209 11.900 3.389 -13.059 1.00 0.00 C ATOM 269 O3' G B 209 11.619 4.058 -14.287 1.00 0.00 O ATOM 270 C2' G B 209 10.711 2.612 -12.568 1.00 0.00 C ATOM 271 O2' G B 209 9.679 3.050 -13.423 1.00 0.00 O ATOM 272 C1' G B 209 11.190 1.181 -12.798 1.00 0.00 C ATOM 273 N9 G B 209 11.585 0.485 -11.557 1.00 0.00 N ATOM 274 C8 G B 209 12.731 0.640 -10.858 1.00 0.00 C ATOM 275 N7 G B 209 12.784 -0.136 -9.781 1.00 0.00 N ATOM 276 C5 G B 209 11.597 -0.819 -9.809 1.00 0.00 C ATOM 277 C6 G B 209 11.057 -1.791 -8.941 1.00 0.00 C ATOM 278 O6 G B 209 11.605 -2.225 -7.928 1.00 0.00 O ATOM 279 N1 G B 209 9.828 -2.291 -9.246 1.00 0.00 N ATOM 280 C2 G B 209 9.202 -1.832 -10.353 1.00 0.00 C ATOM 281 N2 G B 209 8.016 -2.414 -10.514 1.00 0.00 N ATOM 282 N3 G B 209 9.620 -0.915 -11.245 1.00 0.00 N ATOM 283 C4 G B 209 10.850 -0.455 -10.885 1.00 0.00 C ATOM 0 H5' G B 209 14.369 3.902 -12.746 1.00 0.00 H new ATOM 0 H5'' G B 209 14.893 2.293 -12.293 1.00 0.00 H new ATOM 0 H4' G B 209 13.881 1.715 -13.282 1.00 0.00 H new ATOM 0 H3' G B 209 12.186 4.156 -12.340 1.00 0.00 H new ATOM 0 H2' G B 209 10.358 2.716 -11.542 1.00 0.00 H new ATOM 0 HO2' G B 209 9.352 3.923 -13.121 1.00 0.00 H new ATOM 0 H1' G B 209 10.404 0.546 -13.207 1.00 0.00 H new ATOM 0 H8 G B 209 13.519 1.321 -11.144 1.00 0.00 H new ATOM 0 H1 G B 209 9.390 -2.996 -8.653 1.00 0.00 H new ATOM 0 H21 G B 209 7.429 -2.165 -11.310 1.00 0.00 H new ATOM 0 H22 G B 209 7.694 -3.109 -9.841 1.00 0.00 H new ATOM 295 P G B 210 11.067 5.559 -14.270 1.00 0.00 P ATOM 296 OP1 G B 210 10.393 5.857 -15.554 1.00 0.00 O ATOM 297 OP2 G B 210 12.140 6.479 -13.832 1.00 0.00 O ATOM 298 O5' G B 210 9.951 5.520 -13.124 1.00 0.00 O ATOM 299 C5' G B 210 10.224 6.089 -11.844 1.00 0.00 C ATOM 300 C4' G B 210 8.937 6.260 -11.068 1.00 0.00 C ATOM 301 O4' G B 210 8.270 6.433 -9.897 1.00 0.00 O ATOM 302 C3' G B 210 7.677 6.263 -11.929 1.00 0.00 C ATOM 303 O3' G B 210 7.005 5.013 -11.789 1.00 0.00 O ATOM 304 C2' G B 210 6.842 7.400 -11.405 1.00 0.00 C ATOM 305 O2' G B 210 5.534 6.879 -11.471 1.00 0.00 O ATOM 306 C1' G B 210 7.417 7.551 -10.000 1.00 0.00 C ATOM 307 N9 G B 210 8.164 8.811 -9.802 1.00 0.00 N ATOM 308 C8 G B 210 9.257 9.231 -10.473 1.00 0.00 C ATOM 309 N7 G B 210 9.692 10.414 -10.054 1.00 0.00 N ATOM 310 C5 G B 210 8.814 10.756 -9.060 1.00 0.00 C ATOM 311 C6 G B 210 8.739 11.893 -8.229 1.00 0.00 C ATOM 312 O6 G B 210 9.512 12.850 -8.259 1.00 0.00 O ATOM 313 N1 G B 210 7.729 11.938 -7.318 1.00 0.00 N ATOM 314 C2 G B 210 6.864 10.900 -7.264 1.00 0.00 C ATOM 315 N2 G B 210 5.937 11.092 -6.328 1.00 0.00 N ATOM 316 N3 G B 210 6.840 9.774 -8.002 1.00 0.00 N ATOM 317 C4 G B 210 7.873 9.791 -8.889 1.00 0.00 C ATOM 0 H5' G B 210 10.717 7.054 -11.964 1.00 0.00 H new ATOM 0 H5'' G B 210 10.909 5.447 -11.290 1.00 0.00 H new ATOM 0 H4' G B 210 9.926 6.226 -10.611 1.00 0.00 H new ATOM 0 H3' G B 210 7.888 6.392 -12.991 1.00 0.00 H new ATOM 0 H2' G B 210 6.838 8.370 -11.902 1.00 0.00 H new ATOM 0 HO2' G B 210 5.560 5.911 -11.323 1.00 0.00 H new ATOM 0 H1' G B 210 6.637 7.593 -9.240 1.00 0.00 H new ATOM 0 H8 G B 210 9.727 8.666 -11.265 1.00 0.00 H new ATOM 0 H1 G B 210 7.627 12.736 -6.691 1.00 0.00 H new ATOM 0 H21 G B 210 5.215 10.388 -6.173 1.00 0.00 H new ATOM 0 H22 G B 210 5.949 11.943 -5.766 1.00 0.00 H new ATOM 329 P A B 211 6.577 4.187 -13.090 1.00 0.00 P ATOM 330 OP1 A B 211 7.639 4.284 -14.116 1.00 0.00 O ATOM 331 OP2 A B 211 5.203 4.565 -13.492 1.00 0.00 O ATOM 332 O5' A B 211 6.538 2.677 -12.562 1.00 0.00 O ATOM 333 C5' A B 211 7.197 2.330 -11.346 1.00 0.00 C ATOM 334 C4' A B 211 6.210 2.326 -10.201 1.00 0.00 C ATOM 335 O4' A B 211 6.001 2.889 -8.935 1.00 0.00 O ATOM 336 C3' A B 211 4.819 1.817 -10.571 1.00 0.00 C ATOM 337 O3' A B 211 4.735 0.421 -10.292 1.00 0.00 O ATOM 338 C2' A B 211 3.867 2.608 -9.718 1.00 0.00 C ATOM 339 O2' A B 211 2.751 1.752 -9.623 1.00 0.00 O ATOM 340 C1' A B 211 4.688 2.759 -8.440 1.00 0.00 C ATOM 341 N9 A B 211 4.304 3.931 -7.628 1.00 0.00 N ATOM 342 C8 A B 211 4.482 5.233 -7.933 1.00 0.00 C ATOM 343 N7 A B 211 4.025 6.049 -6.987 1.00 0.00 N ATOM 344 C5 A B 211 3.530 5.202 -6.034 1.00 0.00 C ATOM 345 C6 A B 211 2.912 5.453 -4.790 1.00 0.00 C ATOM 346 N6 A B 211 2.682 6.691 -4.281 1.00 0.00 N ATOM 347 N1 A B 211 2.523 4.375 -4.055 1.00 0.00 N ATOM 348 C2 A B 211 2.748 3.138 -4.553 1.00 0.00 C ATOM 349 N3 A B 211 3.324 2.785 -5.718 1.00 0.00 N ATOM 350 C4 A B 211 3.690 3.904 -6.404 1.00 0.00 C ATOM 0 H5' A B 211 7.998 3.040 -11.143 1.00 0.00 H new ATOM 0 H5'' A B 211 7.659 1.347 -11.441 1.00 0.00 H new ATOM 0 H4' A B 211 7.256 2.144 -9.954 1.00 0.00 H new ATOM 0 H3' A B 211 4.589 1.943 -11.629 1.00 0.00 H new ATOM 0 H2' A B 211 3.508 3.587 -10.037 1.00 0.00 H new ATOM 0 HO2' A B 211 2.545 1.384 -10.508 1.00 0.00 H new ATOM 0 H1' A B 211 4.545 1.920 -7.759 1.00 0.00 H new ATOM 0 H8 A B 211 4.945 5.576 -8.846 1.00 0.00 H new ATOM 0 H61 A B 211 2.229 6.793 -3.373 1.00 0.00 H new ATOM 0 H62 A B 211 2.962 7.519 -4.807 1.00 0.00 H new ATOM 0 H2 A B 211 2.420 2.319 -3.930 1.00 0.00 H new ATOM 362 P G B 212 3.990 -0.556 -11.319 1.00 0.00 P ATOM 363 OP1 G B 212 4.897 -0.885 -12.441 1.00 0.00 O ATOM 364 OP2 G B 212 2.659 -0.004 -11.655 1.00 0.00 O ATOM 365 O5' G B 212 3.770 -1.884 -10.454 1.00 0.00 O ATOM 366 C5' G B 212 3.530 -1.791 -9.052 1.00 0.00 C ATOM 367 C4' G B 212 4.441 -2.739 -8.305 1.00 0.00 C ATOM 368 O4' G B 212 5.502 -1.861 -8.091 1.00 0.00 O ATOM 369 C3' G B 212 4.093 -2.915 -6.830 1.00 0.00 C ATOM 370 O3' G B 212 3.311 -4.097 -6.664 1.00 0.00 O ATOM 371 C2' G B 212 5.414 -3.024 -6.120 1.00 0.00 C ATOM 372 O2' G B 212 5.767 -4.373 -6.328 1.00 0.00 O ATOM 373 C1' G B 212 6.239 -2.003 -6.898 1.00 0.00 C ATOM 374 N9 G B 212 6.383 -0.708 -6.201 1.00 0.00 N ATOM 375 C8 G B 212 5.403 0.042 -5.655 1.00 0.00 C ATOM 376 N7 G B 212 5.862 1.159 -5.099 1.00 0.00 N ATOM 377 C5 G B 212 7.212 1.101 -5.312 1.00 0.00 C ATOM 378 C6 G B 212 8.253 1.989 -4.962 1.00 0.00 C ATOM 379 O6 G B 212 8.111 3.049 -4.357 1.00 0.00 O ATOM 380 N1 G B 212 9.518 1.644 -5.325 1.00 0.00 N ATOM 381 C2 G B 212 9.705 0.483 -5.991 1.00 0.00 C ATOM 382 N2 G B 212 10.991 0.287 -6.273 1.00 0.00 N ATOM 383 N3 G B 212 8.794 -0.433 -6.374 1.00 0.00 N ATOM 384 C4 G B 212 7.553 -0.030 -5.984 1.00 0.00 C ATOM 0 H5' G B 212 2.488 -2.030 -8.837 1.00 0.00 H new ATOM 0 H5'' G B 212 3.699 -0.769 -8.713 1.00 0.00 H new ATOM 0 H4' G B 212 4.499 -3.693 -8.829 1.00 0.00 H new ATOM 0 H3' G B 212 3.505 -2.088 -6.432 1.00 0.00 H new ATOM 0 H2' G B 212 5.497 -2.821 -5.052 1.00 0.00 H new ATOM 0 HO2' G B 212 4.956 -4.921 -6.365 1.00 0.00 H new ATOM 0 H1' G B 212 7.268 -2.331 -7.042 1.00 0.00 H new ATOM 0 H8 G B 212 4.359 -0.235 -5.668 1.00 0.00 H new ATOM 0 H1 G B 212 10.308 2.248 -5.099 1.00 0.00 H new ATOM 0 H21 G B 212 11.281 -0.552 -6.775 1.00 0.00 H new ATOM 0 H22 G B 212 11.687 0.976 -5.987 1.00 0.00 H new ATOM 396 P G B 213 1.864 -4.199 -7.339 1.00 0.00 P ATOM 397 OP1 G B 213 1.204 -2.875 -7.306 1.00 0.00 O ATOM 398 OP2 G B 213 1.125 -5.344 -6.762 1.00 0.00 O ATOM 399 O5' G B 213 2.202 -4.546 -8.864 1.00 0.00 O ATOM 400 C5' G B 213 2.971 -5.706 -9.178 1.00 0.00 C ATOM 401 C4' G B 213 2.903 -5.989 -10.661 1.00 0.00 C ATOM 402 O4' G B 213 3.805 -5.214 -11.040 1.00 0.00 O ATOM 403 C3' G B 213 3.419 -7.366 -11.065 1.00 0.00 C ATOM 404 O3' G B 213 2.328 -8.171 -11.508 1.00 0.00 O ATOM 405 C2' G B 213 4.403 -7.112 -12.174 1.00 0.00 C ATOM 406 O2' G B 213 3.600 -7.213 -13.329 1.00 0.00 O ATOM 407 C1' G B 213 4.871 -5.703 -11.821 1.00 0.00 C ATOM 408 N9 G B 213 6.142 -5.676 -11.067 1.00 0.00 N ATOM 409 C8 G B 213 6.376 -6.178 -9.836 1.00 0.00 C ATOM 410 N7 G B 213 7.630 -5.991 -9.436 1.00 0.00 N ATOM 411 C5 G B 213 8.215 -5.333 -10.484 1.00 0.00 C ATOM 412 C6 G B 213 9.529 -4.858 -10.673 1.00 0.00 C ATOM 413 O6 G B 213 10.448 -4.961 -9.861 1.00 0.00 O ATOM 414 N1 G B 213 9.807 -4.232 -11.849 1.00 0.00 N ATOM 415 C2 G B 213 8.817 -4.103 -12.760 1.00 0.00 C ATOM 416 N2 G B 213 9.243 -3.472 -13.852 1.00 0.00 N ATOM 417 N3 G B 213 7.538 -4.515 -12.687 1.00 0.00 N ATOM 418 C4 G B 213 7.325 -5.131 -11.492 1.00 0.00 C ATOM 0 H5' G B 213 2.595 -6.563 -8.619 1.00 0.00 H new ATOM 0 H5'' G B 213 4.008 -5.557 -8.875 1.00 0.00 H new ATOM 0 H4' G B 213 1.885 -5.902 -11.041 1.00 0.00 H new ATOM 0 H3' G B 213 3.892 -7.900 -10.241 1.00 0.00 H new ATOM 0 H2' G B 213 5.270 -7.758 -12.315 1.00 0.00 H new ATOM 0 HO2' G B 213 4.106 -7.656 -14.042 1.00 0.00 H new ATOM 0 H1' G B 213 5.088 -5.109 -12.709 1.00 0.00 H new ATOM 0 H8 G B 213 5.626 -6.677 -9.241 1.00 0.00 H new ATOM 0 H1 G B 213 10.741 -3.869 -12.039 1.00 0.00 H new ATOM 0 H21 G B 213 8.601 -3.303 -14.627 1.00 0.00 H new ATOM 0 H22 G B 213 10.211 -3.157 -13.914 1.00 0.00 H new ATOM 430 P C B 214 2.268 -9.721 -11.117 1.00 0.00 P ATOM 431 OP1 C B 214 0.857 -10.163 -11.047 1.00 0.00 O ATOM 432 OP2 C B 214 3.120 -9.971 -9.933 1.00 0.00 O ATOM 433 O5' C B 214 2.948 -10.436 -12.376 1.00 0.00 O ATOM 434 C5' C B 214 2.576 -10.055 -13.699 1.00 0.00 C ATOM 435 C4' C B 214 3.768 -10.156 -14.623 1.00 0.00 C ATOM 436 O4' C B 214 4.798 -9.226 -14.421 1.00 0.00 O ATOM 437 C3' C B 214 4.592 -11.430 -14.453 1.00 0.00 C ATOM 438 O3' C B 214 3.956 -12.502 -15.147 1.00 0.00 O ATOM 439 C2' C B 214 5.939 -11.114 -15.041 1.00 0.00 C ATOM 440 O2' C B 214 5.718 -11.267 -16.425 1.00 0.00 O ATOM 441 C1' C B 214 6.127 -9.676 -14.563 1.00 0.00 C ATOM 442 N1 C B 214 6.866 -9.571 -13.287 1.00 0.00 N ATOM 443 C2 C B 214 8.187 -9.131 -13.338 1.00 0.00 C ATOM 444 O2 C B 214 8.676 -8.851 -14.439 1.00 0.00 O ATOM 445 N3 C B 214 8.881 -9.026 -12.190 1.00 0.00 N ATOM 446 C4 C B 214 8.344 -9.329 -11.025 1.00 0.00 C ATOM 447 N4 C B 214 9.044 -9.219 -9.903 1.00 0.00 N ATOM 448 C5 C B 214 6.976 -9.788 -10.945 1.00 0.00 C ATOM 449 C6 C B 214 6.298 -9.886 -12.097 1.00 0.00 C ATOM 0 H5' C B 214 2.192 -9.035 -13.698 1.00 0.00 H new ATOM 0 H5'' C B 214 1.772 -10.697 -14.058 1.00 0.00 H new ATOM 0 H4' C B 214 3.238 -10.042 -15.569 1.00 0.00 H new ATOM 0 H3' C B 214 4.686 -11.739 -13.412 1.00 0.00 H new ATOM 0 H2' C B 214 6.818 -11.703 -14.779 1.00 0.00 H new ATOM 0 HO2' C B 214 6.548 -11.080 -16.911 1.00 0.00 H new ATOM 0 H1' C B 214 6.729 -9.089 -15.256 1.00 0.00 H new ATOM 0 H41 C B 214 8.615 -9.457 -9.009 1.00 0.00 H new ATOM 0 H42 C B 214 10.011 -8.896 -9.935 1.00 0.00 H new ATOM 0 H5 C B 214 6.520 -10.041 -9.999 1.00 0.00 H new ATOM 0 H6 C B 214 5.273 -10.225 -12.077 1.00 0.00 H new ATOM 461 P U B 215 3.870 -13.951 -14.475 1.00 0.00 P ATOM 462 OP1 U B 215 2.620 -14.622 -14.896 1.00 0.00 O ATOM 463 OP2 U B 215 4.132 -13.842 -13.022 1.00 0.00 O ATOM 464 O5' U B 215 5.098 -14.730 -15.142 1.00 0.00 O ATOM 465 C5' U B 215 5.514 -14.406 -16.466 1.00 0.00 C ATOM 466 C4' U B 215 7.024 -14.392 -16.548 1.00 0.00 C ATOM 467 O4' U B 215 7.698 -13.537 -16.211 1.00 0.00 O ATOM 468 C3' U B 215 7.695 -15.658 -16.020 1.00 0.00 C ATOM 469 O3' U B 215 7.595 -16.691 -16.997 1.00 0.00 O ATOM 470 C2' U B 215 9.126 -15.272 -15.767 1.00 0.00 C ATOM 471 O2' U B 215 9.794 -15.812 -16.886 1.00 0.00 O ATOM 472 C1' U B 215 9.011 -13.752 -15.743 1.00 0.00 C ATOM 473 N1 U B 215 9.201 -13.167 -14.399 1.00 0.00 N ATOM 474 C2 U B 215 10.439 -12.671 -14.127 1.00 0.00 C ATOM 475 O2 U B 215 11.366 -12.689 -14.921 1.00 0.00 O ATOM 476 N3 U B 215 10.618 -12.126 -12.875 1.00 0.00 N ATOM 477 C4 U B 215 9.630 -12.066 -11.924 1.00 0.00 C ATOM 478 O4 U B 215 9.903 -11.556 -10.839 1.00 0.00 O ATOM 479 C5 U B 215 8.358 -12.598 -12.261 1.00 0.00 C ATOM 480 C6 U B 215 8.206 -13.121 -13.480 1.00 0.00 C ATOM 0 H5' U B 215 5.118 -13.432 -16.752 1.00 0.00 H new ATOM 0 H5'' U B 215 5.111 -15.133 -17.170 1.00 0.00 H new ATOM 0 H4' U B 215 6.974 -14.255 -17.628 1.00 0.00 H new ATOM 0 H3' U B 215 7.229 -16.038 -15.111 1.00 0.00 H new ATOM 0 H2' U B 215 9.649 -15.610 -14.873 1.00 0.00 H new ATOM 0 HO2' U B 215 10.533 -16.380 -16.583 1.00 0.00 H new ATOM 0 H1' U B 215 9.786 -13.274 -16.342 1.00 0.00 H new ATOM 0 H3 U B 215 11.535 -11.746 -12.642 1.00 0.00 H new ATOM 0 H5 U B 215 7.541 -12.580 -11.555 1.00 0.00 H new ATOM 0 H6 U B 215 7.242 -13.528 -13.747 1.00 0.00 H new ATOM 491 P A B 216 7.072 -18.143 -16.578 1.00 0.00 P ATOM 492 OP1 A B 216 6.166 -18.668 -17.622 1.00 0.00 O ATOM 493 OP2 A B 216 6.562 -18.106 -15.188 1.00 0.00 O ATOM 494 O5' A B 216 8.406 -19.025 -16.591 1.00 0.00 O ATOM 495 C5' A B 216 9.483 -18.675 -17.458 1.00 0.00 C ATOM 496 C4' A B 216 10.780 -18.628 -16.683 1.00 0.00 C ATOM 497 O4' A B 216 10.749 -17.825 -15.698 1.00 0.00 O ATOM 498 C3' A B 216 11.094 -19.901 -15.901 1.00 0.00 C ATOM 499 O3' A B 216 11.653 -20.873 -16.781 1.00 0.00 O ATOM 500 C2' A B 216 12.077 -19.484 -14.843 1.00 0.00 C ATOM 501 O2' A B 216 13.319 -19.796 -15.434 1.00 0.00 O ATOM 502 C1' A B 216 11.759 -17.996 -14.730 1.00 0.00 C ATOM 503 N9 A B 216 11.286 -17.594 -13.388 1.00 0.00 N ATOM 504 C8 A B 216 10.030 -17.675 -12.904 1.00 0.00 C ATOM 505 N7 A B 216 9.931 -17.230 -11.655 1.00 0.00 N ATOM 506 C5 A B 216 11.207 -16.847 -11.341 1.00 0.00 C ATOM 507 C6 A B 216 11.754 -16.295 -10.164 1.00 0.00 C ATOM 508 N6 A B 216 11.044 -16.023 -9.040 1.00 0.00 N ATOM 509 N1 A B 216 13.087 -16.017 -10.163 1.00 0.00 N ATOM 510 C2 A B 216 13.802 -16.284 -11.279 1.00 0.00 C ATOM 511 N3 A B 216 13.388 -16.806 -12.448 1.00 0.00 N ATOM 512 C4 A B 216 12.052 -17.061 -12.385 1.00 0.00 C ATOM 0 H5' A B 216 9.290 -17.706 -17.918 1.00 0.00 H new ATOM 0 H5'' A B 216 9.560 -19.402 -18.267 1.00 0.00 H new ATOM 0 H4' A B 216 11.479 -18.387 -17.483 1.00 0.00 H new ATOM 0 H3' A B 216 10.209 -20.353 -15.453 1.00 0.00 H new ATOM 0 H2' A B 216 12.060 -19.935 -13.851 1.00 0.00 H new ATOM 0 HO2' A B 216 13.918 -20.174 -14.757 1.00 0.00 H new ATOM 0 H1' A B 216 12.642 -17.376 -14.886 1.00 0.00 H new ATOM 0 H8 A B 216 9.195 -18.060 -13.470 1.00 0.00 H new ATOM 0 H61 A B 216 11.511 -15.623 -8.226 1.00 0.00 H new ATOM 0 H62 A B 216 10.043 -16.219 -9.009 1.00 0.00 H new ATOM 0 H2 A B 216 14.854 -16.045 -11.224 1.00 0.00 H new ATOM 524 P G B 217 11.131 -22.385 -16.738 1.00 0.00 P ATOM 525 OP1 G B 217 11.388 -23.038 -18.042 1.00 0.00 O ATOM 526 OP2 G B 217 9.745 -22.419 -16.220 1.00 0.00 O ATOM 527 O5' G B 217 12.084 -23.064 -15.648 1.00 0.00 O ATOM 528 C5' G B 217 13.479 -22.769 -15.638 1.00 0.00 C ATOM 529 C4' G B 217 13.937 -22.471 -14.228 1.00 0.00 C ATOM 530 O4' G B 217 13.553 -21.364 -13.485 1.00 0.00 O ATOM 531 C3' G B 217 13.446 -23.465 -13.182 1.00 0.00 C ATOM 532 O3' G B 217 13.984 -24.756 -13.465 1.00 0.00 O ATOM 533 C2' G B 217 13.944 -22.937 -11.865 1.00 0.00 C ATOM 534 O2' G B 217 15.255 -23.452 -11.800 1.00 0.00 O ATOM 535 C1' G B 217 13.842 -21.434 -12.107 1.00 0.00 C ATOM 536 N9 G B 217 12.787 -20.778 -11.306 1.00 0.00 N ATOM 537 C8 G B 217 11.462 -20.755 -11.560 1.00 0.00 C ATOM 538 N7 G B 217 10.777 -20.078 -10.644 1.00 0.00 N ATOM 539 C5 G B 217 11.735 -19.652 -9.764 1.00 0.00 C ATOM 540 C6 G B 217 11.645 -18.888 -8.582 1.00 0.00 C ATOM 541 O6 G B 217 10.606 -18.438 -8.101 1.00 0.00 O ATOM 542 N1 G B 217 12.803 -18.625 -7.916 1.00 0.00 N ATOM 543 C2 G B 217 13.960 -19.108 -8.421 1.00 0.00 C ATOM 544 N2 G B 217 14.999 -18.767 -7.660 1.00 0.00 N ATOM 545 N3 G B 217 14.163 -19.841 -9.531 1.00 0.00 N ATOM 546 C4 G B 217 12.970 -20.068 -10.149 1.00 0.00 C ATOM 0 H5' G B 217 13.682 -21.914 -16.283 1.00 0.00 H new ATOM 0 H5'' G B 217 14.040 -23.613 -16.040 1.00 0.00 H new ATOM 0 H4' G B 217 14.973 -22.412 -14.561 1.00 0.00 H new ATOM 0 H3' G B 217 12.361 -23.569 -13.173 1.00 0.00 H new ATOM 0 H2' G B 217 13.442 -23.191 -10.932 1.00 0.00 H new ATOM 0 HO2' G B 217 15.340 -24.033 -11.016 1.00 0.00 H new ATOM 0 H1' G B 217 14.751 -20.910 -11.812 1.00 0.00 H new ATOM 0 H8 G B 217 11.008 -21.234 -12.414 1.00 0.00 H new ATOM 0 H1 G B 217 12.798 -18.076 -7.056 1.00 0.00 H new ATOM 0 H21 G B 217 15.940 -19.063 -7.919 1.00 0.00 H new ATOM 0 H22 G B 217 14.853 -18.210 -6.818 1.00 0.00 H new ATOM 558 P U B 218 13.042 -26.047 -13.403 1.00 0.00 P ATOM 559 OP1 U B 218 13.475 -27.030 -14.421 1.00 0.00 O ATOM 560 OP2 U B 218 11.622 -25.630 -13.417 1.00 0.00 O ATOM 561 O5' U B 218 13.363 -26.657 -11.959 1.00 0.00 O ATOM 562 C5' U B 218 14.710 -26.719 -11.494 1.00 0.00 C ATOM 563 C4' U B 218 14.771 -26.352 -10.028 1.00 0.00 C ATOM 564 O4' U B 218 14.451 -25.096 -9.674 1.00 0.00 O ATOM 565 C3' U B 218 13.715 -27.033 -9.163 1.00 0.00 C ATOM 566 O3' U B 218 14.058 -28.407 -8.990 1.00 0.00 O ATOM 567 C2' U B 218 13.733 -26.291 -7.856 1.00 0.00 C ATOM 568 O2' U B 218 14.758 -26.946 -7.142 1.00 0.00 O ATOM 569 C1' U B 218 14.065 -24.880 -8.335 1.00 0.00 C ATOM 570 N1 U B 218 12.925 -23.946 -8.250 1.00 0.00 N ATOM 571 C2 U B 218 12.872 -23.157 -7.143 1.00 0.00 C ATOM 572 O2 U B 218 13.701 -23.191 -6.247 1.00 0.00 O ATOM 573 N3 U B 218 11.809 -22.285 -7.062 1.00 0.00 N ATOM 574 C4 U B 218 10.836 -22.183 -8.023 1.00 0.00 C ATOM 575 O4 U B 218 9.932 -21.368 -7.846 1.00 0.00 O ATOM 576 C5 U B 218 10.939 -23.029 -9.159 1.00 0.00 C ATOM 577 C6 U B 218 11.976 -23.867 -9.217 1.00 0.00 C ATOM 0 H5' U B 218 15.335 -26.039 -12.073 1.00 0.00 H new ATOM 0 H5'' U B 218 15.108 -27.723 -11.643 1.00 0.00 H new ATOM 0 H4' U B 218 15.818 -26.617 -9.878 1.00 0.00 H new ATOM 0 H3' U B 218 12.721 -27.009 -9.609 1.00 0.00 H new ATOM 0 H2' U B 218 12.851 -26.259 -7.216 1.00 0.00 H new ATOM 0 HO2' U B 218 15.169 -27.629 -7.712 1.00 0.00 H new ATOM 0 H1' U B 218 14.829 -24.406 -7.718 1.00 0.00 H new ATOM 0 H3 U B 218 11.742 -21.682 -6.242 1.00 0.00 H new ATOM 0 H5 U B 218 10.203 -22.995 -9.949 1.00 0.00 H new ATOM 0 H6 U B 218 12.064 -24.515 -10.077 1.00 0.00 H new ATOM 588 P C B 219 12.935 -29.537 -9.140 1.00 0.00 P ATOM 589 OP1 C B 219 13.558 -30.802 -9.589 1.00 0.00 O ATOM 590 OP2 C B 219 11.804 -29.013 -9.938 1.00 0.00 O ATOM 591 O5' C B 219 12.427 -29.741 -7.637 1.00 0.00 O ATOM 592 C5' C B 219 13.354 -29.672 -6.555 1.00 0.00 C ATOM 593 C4' C B 219 12.686 -29.078 -5.335 1.00 0.00 C ATOM 594 O4' C B 219 12.571 -27.752 -5.159 1.00 0.00 O ATOM 595 C3' C B 219 11.224 -29.477 -5.161 1.00 0.00 C ATOM 596 O3' C B 219 11.152 -30.829 -4.711 1.00 0.00 O ATOM 597 C2' C B 219 10.672 -28.525 -4.136 1.00 0.00 C ATOM 598 O2' C B 219 11.043 -29.130 -2.918 1.00 0.00 O ATOM 599 C1' C B 219 11.433 -27.251 -4.494 1.00 0.00 C ATOM 600 N1 C B 219 10.668 -26.333 -5.363 1.00 0.00 N ATOM 601 C2 C B 219 10.096 -25.208 -4.772 1.00 0.00 C ATOM 602 O2 C B 219 10.253 -25.032 -3.559 1.00 0.00 O ATOM 603 N3 C B 219 9.394 -24.356 -5.542 1.00 0.00 N ATOM 604 C4 C B 219 9.238 -24.558 -6.836 1.00 0.00 C ATOM 605 N4 C B 219 8.542 -23.707 -7.579 1.00 0.00 N ATOM 606 C5 C B 219 9.821 -25.717 -7.473 1.00 0.00 C ATOM 607 C6 C B 219 10.516 -26.556 -6.691 1.00 0.00 C ATOM 0 H5' C B 219 14.213 -29.065 -6.840 1.00 0.00 H new ATOM 0 H5'' C B 219 13.730 -30.669 -6.324 1.00 0.00 H new ATOM 0 H4' C B 219 13.425 -29.487 -4.646 1.00 0.00 H new ATOM 0 H3' C B 219 10.655 -29.421 -6.089 1.00 0.00 H new ATOM 0 H2' C B 219 9.605 -28.310 -4.087 1.00 0.00 H new ATOM 0 HO2' C B 219 11.434 -30.011 -3.096 1.00 0.00 H new ATOM 0 H1' C B 219 11.656 -26.646 -3.615 1.00 0.00 H new ATOM 0 H41 C B 219 8.430 -23.876 -8.579 1.00 0.00 H new ATOM 0 H42 C B 219 8.119 -22.884 -7.151 1.00 0.00 H new ATOM 0 H5 C B 219 9.702 -25.899 -8.531 1.00 0.00 H new ATOM 0 H6 C B 219 10.967 -27.433 -7.131 1.00 0.00 H new ATOM 619 P C B 220 10.388 -31.925 -5.590 1.00 0.00 P ATOM 620 OP1 C B 220 11.312 -33.034 -5.917 1.00 0.00 O ATOM 621 OP2 C B 220 9.692 -31.264 -6.717 1.00 0.00 O ATOM 622 O5' C B 220 9.278 -32.487 -4.584 1.00 0.00 O ATOM 623 C5' C B 220 9.515 -32.464 -3.178 1.00 0.00 C ATOM 624 C4' C B 220 8.349 -31.818 -2.465 1.00 0.00 C ATOM 625 O4' C B 220 7.810 -30.763 -1.868 1.00 0.00 O ATOM 626 C3' C B 220 7.070 -32.650 -2.467 1.00 0.00 C ATOM 627 O3' C B 220 6.844 -33.177 -1.150 1.00 0.00 O ATOM 628 C2' C B 220 5.978 -31.700 -2.876 1.00 0.00 C ATOM 629 O2' C B 220 4.876 -32.148 -2.119 1.00 0.00 O ATOM 630 C1' C B 220 6.580 -30.369 -2.434 1.00 0.00 C ATOM 631 N1 C B 220 6.784 -29.416 -3.545 1.00 0.00 N ATOM 632 C2 C B 220 6.169 -28.169 -3.450 1.00 0.00 C ATOM 633 O2 C B 220 5.487 -27.920 -2.450 1.00 0.00 O ATOM 634 N3 C B 220 6.339 -27.284 -4.449 1.00 0.00 N ATOM 635 C4 C B 220 7.070 -27.566 -5.509 1.00 0.00 C ATOM 636 N4 C B 220 7.227 -26.680 -6.484 1.00 0.00 N ATOM 637 C5 C B 220 7.719 -28.852 -5.632 1.00 0.00 C ATOM 638 C6 C B 220 7.539 -29.723 -4.628 1.00 0.00 C ATOM 0 H5' C B 220 10.432 -31.914 -2.965 1.00 0.00 H new ATOM 0 H5'' C B 220 9.660 -33.479 -2.809 1.00 0.00 H new ATOM 0 H4' C B 220 9.369 -31.436 -2.416 1.00 0.00 H new ATOM 0 H3' C B 220 7.117 -33.501 -3.146 1.00 0.00 H new ATOM 0 H2' C B 220 5.657 -31.627 -3.915 1.00 0.00 H new ATOM 0 HO2' C B 220 5.194 -32.546 -1.282 1.00 0.00 H new ATOM 0 HO3' C B 220 7.026 -32.482 -0.484 1.00 0.00 H new ATOM 0 H1' C B 220 5.924 -29.829 -1.752 1.00 0.00 H new ATOM 0 H41 C B 220 7.796 -26.913 -7.298 1.00 0.00 H new ATOM 0 H42 C B 220 6.779 -25.766 -6.419 1.00 0.00 H new ATOM 0 H5 C B 220 8.321 -29.100 -6.493 1.00 0.00 H new ATOM 0 H6 C B 220 8.008 -30.694 -4.684 1.00 0.00 H new TER 650 C B 220 ATOM 651 N MET A 1 6.523 -11.865 5.741 1.00 0.00 N ATOM 652 CA MET A 1 5.155 -11.706 5.278 1.00 0.00 C ATOM 653 C MET A 1 5.073 -11.830 3.756 1.00 0.00 C ATOM 654 O MET A 1 6.098 -11.904 3.079 1.00 0.00 O ATOM 655 CB MET A 1 4.626 -10.336 5.709 1.00 0.00 C ATOM 656 CG MET A 1 3.631 -10.471 6.863 1.00 0.00 C ATOM 657 SD MET A 1 4.371 -9.886 8.378 1.00 0.00 S ATOM 658 CE MET A 1 2.940 -9.892 9.445 1.00 0.00 C ATOM 0 H1 MET A 1 6.692 -11.233 6.549 1.00 0.00 H new ATOM 0 H2 MET A 1 6.678 -12.851 6.034 1.00 0.00 H new ATOM 0 H3 MET A 1 7.180 -11.625 4.971 1.00 0.00 H new ATOM 0 HA MET A 1 4.547 -12.495 5.721 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.458 -9.700 6.014 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.143 -9.846 4.863 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.729 -9.900 6.645 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.330 -11.513 6.974 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.226 -9.551 10.440 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.180 -9.226 9.038 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.539 -10.903 9.510 1.00 0.00 H new ATOM 668 N GLN A 2 3.844 -11.848 3.260 1.00 0.00 N ATOM 669 CA GLN A 2 3.615 -11.960 1.830 1.00 0.00 C ATOM 670 C GLN A 2 4.277 -10.795 1.093 1.00 0.00 C ATOM 671 O GLN A 2 4.930 -9.955 1.711 1.00 0.00 O ATOM 672 CB GLN A 2 2.120 -12.028 1.517 1.00 0.00 C ATOM 673 CG GLN A 2 1.684 -13.465 1.225 1.00 0.00 C ATOM 674 CD GLN A 2 0.406 -13.491 0.384 1.00 0.00 C ATOM 675 OE1 GLN A 2 -0.528 -12.739 0.605 1.00 0.00 O ATOM 676 NE2 GLN A 2 0.418 -14.395 -0.591 1.00 0.00 N ATOM 0 H GLN A 2 2.996 -11.787 3.824 1.00 0.00 H new ATOM 0 HA GLN A 2 4.068 -12.888 1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.551 -11.636 2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.896 -11.395 0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 2 2.481 -13.990 0.698 1.00 0.00 H new ATOM 0 HG3 GLN A 2 1.517 -13.996 2.162 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.233 -14.994 -0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.388 -14.490 -1.209 1.00 0.00 H new ATOM 685 N LYS A 3 4.087 -10.781 -0.219 1.00 0.00 N ATOM 686 CA LYS A 3 4.657 -9.733 -1.047 1.00 0.00 C ATOM 687 C LYS A 3 6.169 -9.939 -1.155 1.00 0.00 C ATOM 688 O LYS A 3 6.948 -9.075 -0.757 1.00 0.00 O ATOM 689 CB LYS A 3 4.262 -8.353 -0.513 1.00 0.00 C ATOM 690 CG LYS A 3 3.214 -7.697 -1.413 1.00 0.00 C ATOM 691 CD LYS A 3 3.043 -6.216 -1.066 1.00 0.00 C ATOM 692 CE LYS A 3 1.562 -5.842 -0.978 1.00 0.00 C ATOM 693 NZ LYS A 3 1.000 -6.253 0.328 1.00 0.00 N ATOM 0 H LYS A 3 3.546 -11.480 -0.728 1.00 0.00 H new ATOM 0 HA LYS A 3 4.254 -9.786 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.869 -8.450 0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.145 -7.716 -0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.511 -7.798 -2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.260 -8.213 -1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.533 -6.002 -0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.533 -5.603 -1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.444 -4.766 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.011 -6.324 -1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.006 -5.992 0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.095 -7.283 0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.515 -5.774 1.094 1.00 0.00 H new ATOM 706 N GLY A 4 6.540 -11.091 -1.696 1.00 0.00 N ATOM 707 CA GLY A 4 7.944 -11.423 -1.861 1.00 0.00 C ATOM 708 C GLY A 4 8.655 -10.383 -2.730 1.00 0.00 C ATOM 709 O GLY A 4 9.869 -10.216 -2.636 1.00 0.00 O ATOM 0 H GLY A 4 5.891 -11.806 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.426 -11.477 -0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.037 -12.408 -2.317 1.00 0.00 H new ATOM 713 N ASN A 5 7.866 -9.712 -3.557 1.00 0.00 N ATOM 714 CA ASN A 5 8.405 -8.693 -4.442 1.00 0.00 C ATOM 715 C ASN A 5 9.128 -7.632 -3.611 1.00 0.00 C ATOM 716 O ASN A 5 9.968 -6.898 -4.129 1.00 0.00 O ATOM 717 CB ASN A 5 7.289 -8.000 -5.227 1.00 0.00 C ATOM 718 CG ASN A 5 7.796 -7.512 -6.585 1.00 0.00 C ATOM 719 OD1 ASN A 5 8.244 -8.279 -7.422 1.00 0.00 O ATOM 720 ND2 ASN A 5 7.701 -6.197 -6.758 1.00 0.00 N ATOM 0 H ASN A 5 6.859 -9.854 -3.633 1.00 0.00 H new ATOM 0 HA ASN A 5 9.089 -9.178 -5.139 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.458 -8.691 -5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.906 -7.156 -4.653 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.013 -5.774 -7.632 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.316 -5.612 -6.017 1.00 0.00 H new ATOM 727 N PHE A 6 8.775 -7.583 -2.334 1.00 0.00 N ATOM 728 CA PHE A 6 9.380 -6.624 -1.426 1.00 0.00 C ATOM 729 C PHE A 6 10.891 -6.837 -1.332 1.00 0.00 C ATOM 730 O PHE A 6 11.615 -5.967 -0.848 1.00 0.00 O ATOM 731 CB PHE A 6 8.757 -6.857 -0.049 1.00 0.00 C ATOM 732 CG PHE A 6 9.583 -6.299 1.112 1.00 0.00 C ATOM 733 CD1 PHE A 6 10.693 -6.960 1.535 1.00 0.00 C ATOM 734 CD2 PHE A 6 9.208 -5.141 1.718 1.00 0.00 C ATOM 735 CE1 PHE A 6 11.460 -6.442 2.611 1.00 0.00 C ATOM 736 CE2 PHE A 6 9.975 -4.622 2.795 1.00 0.00 C ATOM 737 CZ PHE A 6 11.085 -5.284 3.219 1.00 0.00 C ATOM 0 H PHE A 6 8.077 -8.193 -1.907 1.00 0.00 H new ATOM 0 HA PHE A 6 9.205 -5.610 -1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.767 -6.402 -0.028 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.619 -7.928 0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.991 -7.879 1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 6 8.327 -4.616 1.380 1.00 0.00 H new ATOM 0 HE1 PHE A 6 12.342 -6.967 2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 6 9.677 -3.703 3.277 1.00 0.00 H new ATOM 0 HZ PHE A 6 11.669 -4.891 4.038 1.00 0.00 H new ATOM 747 N ARG A 7 11.325 -7.997 -1.800 1.00 0.00 N ATOM 748 CA ARG A 7 12.737 -8.336 -1.775 1.00 0.00 C ATOM 749 C ARG A 7 13.540 -7.326 -2.597 1.00 0.00 C ATOM 750 O ARG A 7 14.766 -7.283 -2.511 1.00 0.00 O ATOM 751 CB ARG A 7 12.977 -9.741 -2.330 1.00 0.00 C ATOM 752 CG ARG A 7 12.549 -9.832 -3.796 1.00 0.00 C ATOM 753 CD ARG A 7 12.596 -11.279 -4.292 1.00 0.00 C ATOM 754 NE ARG A 7 11.234 -11.737 -4.644 1.00 0.00 N ATOM 755 CZ ARG A 7 10.569 -11.351 -5.753 1.00 0.00 C ATOM 756 NH1 ARG A 7 11.137 -10.494 -6.629 1.00 0.00 N ATOM 757 NH2 ARG A 7 9.355 -11.823 -5.970 1.00 0.00 N ATOM 0 H ARG A 7 10.722 -8.716 -2.200 1.00 0.00 H new ATOM 0 HA ARG A 7 13.066 -8.308 -0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 7 14.033 -9.996 -2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.421 -10.469 -1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.539 -9.438 -3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.204 -9.212 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.250 -11.353 -5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.017 -11.923 -3.520 1.00 0.00 H new ATOM 0 HE ARG A 7 10.768 -12.385 -4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.075 -10.134 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.628 -10.207 -7.465 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.933 -12.470 -5.304 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.840 -11.541 -6.804 1.00 0.00 H new ATOM 770 N ASN A 8 12.815 -6.537 -3.377 1.00 0.00 N ATOM 771 CA ASN A 8 13.444 -5.530 -4.214 1.00 0.00 C ATOM 772 C ASN A 8 14.304 -4.612 -3.343 1.00 0.00 C ATOM 773 O ASN A 8 15.190 -3.923 -3.846 1.00 0.00 O ATOM 774 CB ASN A 8 12.396 -4.666 -4.920 1.00 0.00 C ATOM 775 CG ASN A 8 11.401 -4.083 -3.915 1.00 0.00 C ATOM 776 OD1 ASN A 8 10.981 -4.729 -2.970 1.00 0.00 O ATOM 777 ND2 ASN A 8 11.048 -2.826 -4.172 1.00 0.00 N ATOM 0 H ASN A 8 11.798 -6.575 -3.447 1.00 0.00 H new ATOM 0 HA ASN A 8 14.050 -6.044 -4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.889 -3.858 -5.460 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.864 -5.265 -5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.388 -2.346 -3.560 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.438 -2.342 -4.981 1.00 0.00 H new ATOM 784 N GLN A 9 14.012 -4.632 -2.051 1.00 0.00 N ATOM 785 CA GLN A 9 14.747 -3.809 -1.105 1.00 0.00 C ATOM 786 C GLN A 9 16.233 -4.167 -1.134 1.00 0.00 C ATOM 787 O GLN A 9 17.064 -3.429 -0.608 1.00 0.00 O ATOM 788 CB GLN A 9 14.175 -3.955 0.307 1.00 0.00 C ATOM 789 CG GLN A 9 13.038 -2.960 0.544 1.00 0.00 C ATOM 790 CD GLN A 9 12.655 -2.906 2.025 1.00 0.00 C ATOM 791 OE1 GLN A 9 13.313 -3.470 2.883 1.00 0.00 O ATOM 792 NE2 GLN A 9 11.555 -2.201 2.274 1.00 0.00 N ATOM 0 H GLN A 9 13.277 -5.205 -1.637 1.00 0.00 H new ATOM 0 HA GLN A 9 14.639 -2.765 -1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 9 13.809 -4.972 0.452 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.964 -3.793 1.041 1.00 0.00 H new ATOM 0 HG2 GLN A 9 13.341 -1.969 0.207 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.170 -3.247 -0.049 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.051 -1.754 1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.215 -2.107 3.231 1.00 0.00 H new ATOM 801 N ARG A 10 16.525 -5.301 -1.756 1.00 0.00 N ATOM 802 CA ARG A 10 17.897 -5.765 -1.861 1.00 0.00 C ATOM 803 C ARG A 10 18.731 -4.777 -2.680 1.00 0.00 C ATOM 804 O ARG A 10 19.957 -4.868 -2.706 1.00 0.00 O ATOM 805 CB ARG A 10 17.963 -7.145 -2.520 1.00 0.00 C ATOM 806 CG ARG A 10 17.805 -7.035 -4.038 1.00 0.00 C ATOM 807 CD ARG A 10 17.491 -8.399 -4.655 1.00 0.00 C ATOM 808 NE ARG A 10 17.809 -8.386 -6.101 1.00 0.00 N ATOM 809 CZ ARG A 10 17.196 -9.164 -7.018 1.00 0.00 C ATOM 810 NH1 ARG A 10 16.226 -10.026 -6.647 1.00 0.00 N ATOM 811 NH2 ARG A 10 17.560 -9.069 -8.283 1.00 0.00 N ATOM 0 H ARG A 10 15.834 -5.911 -2.192 1.00 0.00 H new ATOM 0 HA ARG A 10 18.300 -5.837 -0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.915 -7.620 -2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.178 -7.784 -2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.006 -6.332 -4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.720 -6.636 -4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.069 -9.176 -4.154 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.438 -8.640 -4.508 1.00 0.00 H new ATOM 0 HE ARG A 10 18.537 -7.749 -6.425 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.951 -10.093 -5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.768 -10.610 -7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.294 -8.415 -8.555 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.107 -9.650 -8.989 1.00 0.00 H new ATOM 824 N LYS A 11 18.032 -3.856 -3.326 1.00 0.00 N ATOM 825 CA LYS A 11 18.693 -2.851 -4.142 1.00 0.00 C ATOM 826 C LYS A 11 18.301 -1.458 -3.645 1.00 0.00 C ATOM 827 O LYS A 11 18.088 -0.548 -4.444 1.00 0.00 O ATOM 828 CB LYS A 11 18.391 -3.082 -5.624 1.00 0.00 C ATOM 829 CG LYS A 11 19.086 -2.035 -6.495 1.00 0.00 C ATOM 830 CD LYS A 11 19.309 -2.562 -7.914 1.00 0.00 C ATOM 831 CE LYS A 11 18.079 -2.315 -8.789 1.00 0.00 C ATOM 832 NZ LYS A 11 18.254 -1.088 -9.598 1.00 0.00 N ATOM 0 H LYS A 11 17.015 -3.784 -3.301 1.00 0.00 H new ATOM 0 HA LYS A 11 19.776 -2.932 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 11 18.721 -4.079 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 11 17.314 -3.042 -5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.482 -1.128 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 11 20.043 -1.764 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 11 20.178 -2.073 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.527 -3.629 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.915 -3.170 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.193 -2.220 -8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.409 -0.936 -10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.388 -0.272 -8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.088 -1.192 -10.211 1.00 0.00 H new ATOM 845 N THR A 12 18.218 -1.336 -2.329 1.00 0.00 N ATOM 846 CA THR A 12 17.856 -0.069 -1.715 1.00 0.00 C ATOM 847 C THR A 12 16.806 0.652 -2.563 1.00 0.00 C ATOM 848 O THR A 12 16.952 1.837 -2.860 1.00 0.00 O ATOM 849 CB THR A 12 19.138 0.741 -1.514 1.00 0.00 C ATOM 850 OG1 THR A 12 18.790 1.698 -0.517 1.00 0.00 O ATOM 851 CG2 THR A 12 19.491 1.590 -2.737 1.00 0.00 C ATOM 0 H THR A 12 18.395 -2.094 -1.670 1.00 0.00 H new ATOM 0 HA THR A 12 17.393 -0.218 -0.739 1.00 0.00 H new ATOM 0 HB THR A 12 19.964 0.065 -1.290 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.565 2.266 -0.324 1.00 0.00 H new ATOM 0 HG21 THR A 12 20.409 2.145 -2.542 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.636 0.941 -3.601 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.680 2.290 -2.941 1.00 0.00 H new ATOM 859 N VAL A 13 15.773 -0.091 -2.927 1.00 0.00 N ATOM 860 CA VAL A 13 14.699 0.462 -3.735 1.00 0.00 C ATOM 861 C VAL A 13 14.430 1.904 -3.297 1.00 0.00 C ATOM 862 O VAL A 13 14.709 2.273 -2.158 1.00 0.00 O ATOM 863 CB VAL A 13 13.461 -0.431 -3.643 1.00 0.00 C ATOM 864 CG1 VAL A 13 13.666 -1.733 -4.421 1.00 0.00 C ATOM 865 CG2 VAL A 13 13.095 -0.714 -2.186 1.00 0.00 C ATOM 0 H VAL A 13 15.656 -1.073 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 13 14.986 0.488 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 13 12.628 0.104 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.771 -2.350 -4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.855 -1.504 -5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.518 -2.273 -4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.211 -1.351 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.926 -1.218 -1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.886 0.225 -1.674 1.00 0.00 H new ATOM 875 N LYS A 14 13.892 2.680 -4.228 1.00 0.00 N ATOM 876 CA LYS A 14 13.583 4.072 -3.952 1.00 0.00 C ATOM 877 C LYS A 14 12.072 4.227 -3.766 1.00 0.00 C ATOM 878 O LYS A 14 11.288 3.676 -4.538 1.00 0.00 O ATOM 879 CB LYS A 14 14.164 4.976 -5.041 1.00 0.00 C ATOM 880 CG LYS A 14 13.273 4.979 -6.285 1.00 0.00 C ATOM 881 CD LYS A 14 13.784 5.979 -7.323 1.00 0.00 C ATOM 882 CE LYS A 14 13.598 7.418 -6.837 1.00 0.00 C ATOM 883 NZ LYS A 14 14.801 8.226 -7.137 1.00 0.00 N ATOM 0 H LYS A 14 13.663 2.371 -5.173 1.00 0.00 H new ATOM 0 HA LYS A 14 14.054 4.390 -3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.265 5.992 -4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.164 4.634 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.246 3.980 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.251 5.232 -6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.839 5.793 -7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.251 5.837 -8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.726 7.861 -7.318 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.407 7.424 -5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.658 9.200 -6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.626 7.812 -6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.966 8.235 -8.164 1.00 0.00 H new ATOM 896 N CYS A 15 11.708 4.980 -2.738 1.00 0.00 N ATOM 897 CA CYS A 15 10.305 5.214 -2.441 1.00 0.00 C ATOM 898 C CYS A 15 9.757 6.211 -3.465 1.00 0.00 C ATOM 899 O CYS A 15 10.185 7.363 -3.503 1.00 0.00 O ATOM 900 CB CYS A 15 10.104 5.702 -1.005 1.00 0.00 C ATOM 901 SG CYS A 15 8.320 5.896 -0.653 1.00 0.00 S ATOM 0 H CYS A 15 12.361 5.436 -2.100 1.00 0.00 H new ATOM 0 HA CYS A 15 9.754 4.277 -2.517 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.546 4.992 -0.306 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.617 6.653 -0.860 1.00 0.00 H new ATOM 906 N PHE A 16 8.820 5.730 -4.268 1.00 0.00 N ATOM 907 CA PHE A 16 8.209 6.565 -5.289 1.00 0.00 C ATOM 908 C PHE A 16 7.133 7.469 -4.687 1.00 0.00 C ATOM 909 O PHE A 16 6.373 8.106 -5.414 1.00 0.00 O ATOM 910 CB PHE A 16 7.558 5.624 -6.306 1.00 0.00 C ATOM 911 CG PHE A 16 8.552 4.944 -7.250 1.00 0.00 C ATOM 912 CD1 PHE A 16 9.547 5.671 -7.828 1.00 0.00 C ATOM 913 CD2 PHE A 16 8.441 3.615 -7.512 1.00 0.00 C ATOM 914 CE1 PHE A 16 10.468 5.040 -8.705 1.00 0.00 C ATOM 915 CE2 PHE A 16 9.363 2.985 -8.389 1.00 0.00 C ATOM 916 CZ PHE A 16 10.357 3.711 -8.967 1.00 0.00 C ATOM 0 H PHE A 16 8.469 4.773 -4.233 1.00 0.00 H new ATOM 0 HA PHE A 16 8.964 7.202 -5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.999 4.857 -5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.838 6.188 -6.898 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.636 6.727 -7.620 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.652 3.038 -7.053 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.257 5.616 -9.164 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.275 1.929 -8.597 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.058 3.232 -9.634 1.00 0.00 H new ATOM 926 N ASN A 17 7.102 7.496 -3.362 1.00 0.00 N ATOM 927 CA ASN A 17 6.130 8.313 -2.653 1.00 0.00 C ATOM 928 C ASN A 17 6.823 9.561 -2.105 1.00 0.00 C ATOM 929 O ASN A 17 6.349 10.678 -2.310 1.00 0.00 O ATOM 930 CB ASN A 17 5.528 7.549 -1.472 1.00 0.00 C ATOM 931 CG ASN A 17 4.157 8.114 -1.095 1.00 0.00 C ATOM 932 OD1 ASN A 17 3.430 8.648 -1.917 1.00 0.00 O ATOM 933 ND2 ASN A 17 3.846 7.970 0.190 1.00 0.00 N ATOM 0 H ASN A 17 7.733 6.966 -2.761 1.00 0.00 H new ATOM 0 HA ASN A 17 5.338 8.580 -3.352 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.433 6.494 -1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.199 7.610 -0.615 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.953 8.316 0.540 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.501 7.513 0.825 1.00 0.00 H new ATOM 940 N CYS A 18 7.933 9.331 -1.421 1.00 0.00 N ATOM 941 CA CYS A 18 8.696 10.424 -0.842 1.00 0.00 C ATOM 942 C CYS A 18 9.934 10.660 -1.711 1.00 0.00 C ATOM 943 O CYS A 18 10.289 11.803 -1.994 1.00 0.00 O ATOM 944 CB CYS A 18 9.068 10.145 0.615 1.00 0.00 C ATOM 945 SG CYS A 18 10.079 8.624 0.723 1.00 0.00 S ATOM 0 H CYS A 18 8.323 8.403 -1.254 1.00 0.00 H new ATOM 0 HA CYS A 18 8.086 11.327 -0.826 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.622 10.989 1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.165 10.034 1.215 1.00 0.00 H new ATOM 950 N GLY A 19 10.556 9.560 -2.110 1.00 0.00 N ATOM 951 CA GLY A 19 11.746 9.632 -2.941 1.00 0.00 C ATOM 952 C GLY A 19 12.998 9.282 -2.136 1.00 0.00 C ATOM 953 O GLY A 19 14.086 9.777 -2.427 1.00 0.00 O ATOM 0 H GLY A 19 10.258 8.614 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.648 8.947 -3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.844 10.635 -3.355 1.00 0.00 H new ATOM 957 N LYS A 20 12.804 8.431 -1.139 1.00 0.00 N ATOM 958 CA LYS A 20 13.905 8.009 -0.290 1.00 0.00 C ATOM 959 C LYS A 20 14.129 6.505 -0.464 1.00 0.00 C ATOM 960 O LYS A 20 13.172 5.736 -0.546 1.00 0.00 O ATOM 961 CB LYS A 20 13.656 8.429 1.159 1.00 0.00 C ATOM 962 CG LYS A 20 14.274 9.799 1.446 1.00 0.00 C ATOM 963 CD LYS A 20 13.197 10.824 1.806 1.00 0.00 C ATOM 964 CE LYS A 20 13.020 11.850 0.686 1.00 0.00 C ATOM 965 NZ LYS A 20 14.112 12.847 0.719 1.00 0.00 N ATOM 0 H LYS A 20 11.900 8.022 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 20 14.828 8.507 -0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.584 8.462 1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.080 7.686 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.989 9.715 2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.829 10.141 0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.251 10.314 1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.469 11.333 2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.010 11.345 -0.280 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.058 12.352 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.976 13.536 -0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.103 13.341 1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.025 12.366 0.594 1.00 0.00 H new ATOM 978 N GLU A 21 15.399 6.131 -0.513 1.00 0.00 N ATOM 979 CA GLU A 21 15.761 4.733 -0.676 1.00 0.00 C ATOM 980 C GLU A 21 15.769 4.025 0.680 1.00 0.00 C ATOM 981 O GLU A 21 16.200 4.598 1.681 1.00 0.00 O ATOM 982 CB GLU A 21 17.116 4.594 -1.374 1.00 0.00 C ATOM 983 CG GLU A 21 16.984 4.838 -2.879 1.00 0.00 C ATOM 984 CD GLU A 21 17.863 6.009 -3.324 1.00 0.00 C ATOM 985 OE1 GLU A 21 17.545 7.170 -3.026 1.00 0.00 O ATOM 986 OE2 GLU A 21 18.909 5.679 -4.001 1.00 0.00 O ATOM 0 H GLU A 21 16.190 6.771 -0.443 1.00 0.00 H new ATOM 0 HA GLU A 21 15.012 4.257 -1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.824 5.305 -0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 21 17.520 3.597 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.269 3.938 -3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.943 5.045 -3.128 1.00 0.00 H new ATOM 994 N GLY A 22 15.286 2.792 0.671 1.00 0.00 N ATOM 995 CA GLY A 22 15.232 2.000 1.889 1.00 0.00 C ATOM 996 C GLY A 22 13.806 1.524 2.171 1.00 0.00 C ATOM 997 O GLY A 22 13.551 0.884 3.190 1.00 0.00 O ATOM 0 H GLY A 22 14.928 2.321 -0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 22 15.895 1.140 1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.594 2.593 2.729 1.00 0.00 H new ATOM 1001 N HIS A 23 12.913 1.856 1.250 1.00 0.00 N ATOM 1002 CA HIS A 23 11.519 1.470 1.386 1.00 0.00 C ATOM 1003 C HIS A 23 10.744 1.897 0.138 1.00 0.00 C ATOM 1004 O HIS A 23 11.176 2.788 -0.592 1.00 0.00 O ATOM 1005 CB HIS A 23 10.922 2.037 2.677 1.00 0.00 C ATOM 1006 CG HIS A 23 10.522 3.489 2.582 1.00 0.00 C ATOM 1007 ND1 HIS A 23 11.369 4.526 2.933 1.00 0.00 N ATOM 1008 CD2 HIS A 23 9.356 4.068 2.172 1.00 0.00 C ATOM 1009 CE1 HIS A 23 10.732 5.672 2.740 1.00 0.00 C ATOM 1010 NE2 HIS A 23 9.485 5.386 2.268 1.00 0.00 N ATOM 0 H HIS A 23 13.128 2.388 0.407 1.00 0.00 H new ATOM 0 HA HIS A 23 11.444 0.385 1.465 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.047 1.447 2.951 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.648 1.923 3.482 1.00 0.00 H new ATOM 0 HD1 HIS A 23 12.322 4.425 3.281 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.477 3.543 1.828 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.130 6.659 2.924 1.00 0.00 H new ATOM 1018 N ILE A 24 9.611 1.241 -0.069 1.00 0.00 N ATOM 1019 CA ILE A 24 8.772 1.541 -1.217 1.00 0.00 C ATOM 1020 C ILE A 24 7.493 2.232 -0.741 1.00 0.00 C ATOM 1021 O ILE A 24 7.106 2.100 0.420 1.00 0.00 O ATOM 1022 CB ILE A 24 8.518 0.276 -2.040 1.00 0.00 C ATOM 1023 CG1 ILE A 24 7.446 -0.598 -1.387 1.00 0.00 C ATOM 1024 CG2 ILE A 24 9.819 -0.494 -2.277 1.00 0.00 C ATOM 1025 CD1 ILE A 24 7.013 -1.727 -2.324 1.00 0.00 C ATOM 0 H ILE A 24 9.255 0.503 0.539 1.00 0.00 H new ATOM 0 HA ILE A 24 9.278 2.234 -1.889 1.00 0.00 H new ATOM 0 HB ILE A 24 8.138 0.575 -3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.831 -1.019 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.583 0.014 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.611 -1.388 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.523 0.139 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.251 -0.782 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.250 -2.333 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.606 -1.302 -3.242 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.874 -2.351 -2.564 1.00 0.00 H new ATOM 1037 N ALA A 25 6.870 2.952 -1.661 1.00 0.00 N ATOM 1038 CA ALA A 25 5.642 3.664 -1.351 1.00 0.00 C ATOM 1039 C ALA A 25 4.679 2.720 -0.630 1.00 0.00 C ATOM 1040 O ALA A 25 3.963 3.132 0.282 1.00 0.00 O ATOM 1041 CB ALA A 25 5.044 4.237 -2.637 1.00 0.00 C ATOM 0 H ALA A 25 7.193 3.058 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 25 5.843 4.503 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.123 4.771 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.756 4.924 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.827 3.425 -3.331 1.00 0.00 H new ATOM 1047 N LYS A 26 4.691 1.468 -1.065 1.00 0.00 N ATOM 1048 CA LYS A 26 3.828 0.461 -0.473 1.00 0.00 C ATOM 1049 C LYS A 26 4.140 0.342 1.020 1.00 0.00 C ATOM 1050 O LYS A 26 3.231 0.305 1.848 1.00 0.00 O ATOM 1051 CB LYS A 26 3.946 -0.861 -1.234 1.00 0.00 C ATOM 1052 CG LYS A 26 3.701 -0.656 -2.730 1.00 0.00 C ATOM 1053 CD LYS A 26 2.243 -0.942 -3.092 1.00 0.00 C ATOM 1054 CE LYS A 26 2.121 -2.242 -3.890 1.00 0.00 C ATOM 1055 NZ LYS A 26 0.868 -2.251 -4.678 1.00 0.00 N ATOM 0 H LYS A 26 5.286 1.129 -1.821 1.00 0.00 H new ATOM 0 HA LYS A 26 2.783 0.758 -0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.937 -1.287 -1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.226 -1.578 -0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.954 0.368 -3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.357 -1.312 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.646 -1.012 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.840 -0.114 -3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.977 -2.348 -4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.137 -3.095 -3.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.352 -3.136 -4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.277 -1.442 -4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.094 -2.181 -5.691 1.00 0.00 H new ATOM 1068 N ASN A 27 5.430 0.283 1.320 1.00 0.00 N ATOM 1069 CA ASN A 27 5.874 0.168 2.698 1.00 0.00 C ATOM 1070 C ASN A 27 6.164 1.563 3.254 1.00 0.00 C ATOM 1071 O ASN A 27 6.716 1.698 4.344 1.00 0.00 O ATOM 1072 CB ASN A 27 7.158 -0.657 2.796 1.00 0.00 C ATOM 1073 CG ASN A 27 6.880 -2.139 2.532 1.00 0.00 C ATOM 1074 OD1 ASN A 27 7.038 -2.989 3.393 1.00 0.00 O ATOM 1075 ND2 ASN A 27 6.458 -2.399 1.299 1.00 0.00 N ATOM 0 H ASN A 27 6.182 0.313 0.631 1.00 0.00 H new ATOM 0 HA ASN A 27 5.085 -0.325 3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.888 -0.287 2.076 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.597 -0.537 3.786 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.245 -3.358 1.025 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.347 -1.640 0.627 1.00 0.00 H new ATOM 1082 N CYS A 28 5.780 2.566 2.478 1.00 0.00 N ATOM 1083 CA CYS A 28 5.993 3.947 2.879 1.00 0.00 C ATOM 1084 C CYS A 28 4.874 4.345 3.843 1.00 0.00 C ATOM 1085 O CYS A 28 3.698 4.128 3.557 1.00 0.00 O ATOM 1086 CB CYS A 28 6.065 4.882 1.670 1.00 0.00 C ATOM 1087 SG CYS A 28 6.407 6.593 2.222 1.00 0.00 S ATOM 0 H CYS A 28 5.323 2.450 1.574 1.00 0.00 H new ATOM 0 HA CYS A 28 6.955 4.038 3.383 1.00 0.00 H new ATOM 0 HB2 CYS A 28 6.847 4.548 0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.125 4.850 1.119 1.00 0.00 H new ATOM 1092 N ARG A 29 5.280 4.921 4.965 1.00 0.00 N ATOM 1093 CA ARG A 29 4.326 5.351 5.973 1.00 0.00 C ATOM 1094 C ARG A 29 3.499 6.528 5.453 1.00 0.00 C ATOM 1095 O ARG A 29 2.332 6.678 5.811 1.00 0.00 O ATOM 1096 CB ARG A 29 5.037 5.765 7.263 1.00 0.00 C ATOM 1097 CG ARG A 29 5.268 4.558 8.174 1.00 0.00 C ATOM 1098 CD ARG A 29 4.175 4.460 9.241 1.00 0.00 C ATOM 1099 NE ARG A 29 4.129 3.087 9.792 1.00 0.00 N ATOM 1100 CZ ARG A 29 4.883 2.662 10.828 1.00 0.00 C ATOM 1101 NH1 ARG A 29 5.750 3.500 11.433 1.00 0.00 N ATOM 1102 NH2 ARG A 29 4.761 1.413 11.238 1.00 0.00 N ATOM 0 H ARG A 29 6.257 5.100 5.198 1.00 0.00 H new ATOM 0 HA ARG A 29 3.669 4.509 6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.992 6.231 7.022 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.441 6.512 7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.283 3.645 7.578 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.243 4.641 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.370 5.175 10.040 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.209 4.720 8.809 1.00 0.00 H new ATOM 0 HE ARG A 29 3.488 2.420 9.362 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.840 4.463 11.108 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.316 3.171 12.215 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.105 0.786 10.773 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.323 1.076 12.019 1.00 0.00 H new ATOM 1115 N ALA A 30 4.137 7.334 4.617 1.00 0.00 N ATOM 1116 CA ALA A 30 3.475 8.493 4.044 1.00 0.00 C ATOM 1117 C ALA A 30 2.247 8.037 3.253 1.00 0.00 C ATOM 1118 O ALA A 30 2.199 6.904 2.775 1.00 0.00 O ATOM 1119 CB ALA A 30 4.468 9.274 3.180 1.00 0.00 C ATOM 0 H ALA A 30 5.105 7.207 4.323 1.00 0.00 H new ATOM 0 HA ALA A 30 3.129 9.164 4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.971 10.144 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.306 9.602 3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.835 8.633 2.378 1.00 0.00 H new ATOM 1125 N PRO A 31 1.260 8.964 3.136 1.00 0.00 N ATOM 1126 CA PRO A 31 0.037 8.668 2.412 1.00 0.00 C ATOM 1127 C PRO A 31 0.277 8.683 0.901 1.00 0.00 C ATOM 1128 O PRO A 31 1.209 9.328 0.423 1.00 0.00 O ATOM 1129 CB PRO A 31 -0.956 9.726 2.866 1.00 0.00 C ATOM 1130 CG PRO A 31 -0.124 10.847 3.467 1.00 0.00 C ATOM 1131 CD PRO A 31 1.284 10.315 3.689 1.00 0.00 C ATOM 0 HA PRO A 31 -0.344 7.668 2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.552 10.088 2.028 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.652 9.319 3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.106 11.709 2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.558 11.182 4.409 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.026 10.936 3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.541 10.305 4.748 1.00 0.00 H new ATOM 1139 N ARG A 32 -0.580 7.964 0.190 1.00 0.00 N ATOM 1140 CA ARG A 32 -0.472 7.886 -1.257 1.00 0.00 C ATOM 1141 C ARG A 32 -0.506 9.289 -1.867 1.00 0.00 C ATOM 1142 O ARG A 32 -1.562 9.917 -1.930 1.00 0.00 O ATOM 1143 CB ARG A 32 -1.609 7.052 -1.849 1.00 0.00 C ATOM 1144 CG ARG A 32 -1.093 6.126 -2.953 1.00 0.00 C ATOM 1145 CD ARG A 32 -0.770 4.737 -2.397 1.00 0.00 C ATOM 1146 NE ARG A 32 0.584 4.734 -1.798 1.00 0.00 N ATOM 1147 CZ ARG A 32 0.833 4.942 -0.488 1.00 0.00 C ATOM 1148 NH1 ARG A 32 -0.180 5.171 0.374 1.00 0.00 N ATOM 1149 NH2 ARG A 32 2.083 4.918 -0.062 1.00 0.00 N ATOM 0 H ARG A 32 -1.352 7.430 0.589 1.00 0.00 H new ATOM 0 HA ARG A 32 0.477 7.406 -1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.078 6.460 -1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.377 7.712 -2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.841 6.041 -3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.200 6.557 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.509 4.456 -1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.826 3.995 -3.194 1.00 0.00 H new ATOM 0 HE ARG A 32 1.379 4.564 -2.414 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.143 5.188 0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.017 5.327 1.363 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.843 4.744 -0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.289 5.073 0.925 1.00 0.00 H new ATOM 1162 N LYS A 33 0.662 9.739 -2.302 1.00 0.00 N ATOM 1163 CA LYS A 33 0.779 11.055 -2.905 1.00 0.00 C ATOM 1164 C LYS A 33 1.503 10.933 -4.247 1.00 0.00 C ATOM 1165 O LYS A 33 1.837 9.831 -4.679 1.00 0.00 O ATOM 1166 CB LYS A 33 1.444 12.032 -1.934 1.00 0.00 C ATOM 1167 CG LYS A 33 0.582 13.281 -1.737 1.00 0.00 C ATOM 1168 CD LYS A 33 1.422 14.453 -1.225 1.00 0.00 C ATOM 1169 CE LYS A 33 1.492 14.451 0.303 1.00 0.00 C ATOM 1170 NZ LYS A 33 2.530 13.507 0.774 1.00 0.00 N ATOM 0 H LYS A 33 1.536 9.215 -2.249 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.208 11.469 -3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.606 11.542 -0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.424 12.319 -2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.109 13.553 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.219 13.066 -1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.429 14.392 -1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.991 15.392 -1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.715 15.455 0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.523 14.171 0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.064 13.939 1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.078 12.631 1.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.179 13.286 -0.008 1.00 0.00 H new ATOM 1183 N LYS A 34 1.725 12.081 -4.871 1.00 0.00 N ATOM 1184 CA LYS A 34 2.404 12.118 -6.155 1.00 0.00 C ATOM 1185 C LYS A 34 3.153 13.444 -6.293 1.00 0.00 C ATOM 1186 O LYS A 34 2.953 14.177 -7.262 1.00 0.00 O ATOM 1187 CB LYS A 34 1.415 11.847 -7.291 1.00 0.00 C ATOM 1188 CG LYS A 34 2.111 11.169 -8.473 1.00 0.00 C ATOM 1189 CD LYS A 34 1.817 9.668 -8.493 1.00 0.00 C ATOM 1190 CE LYS A 34 0.432 9.388 -9.080 1.00 0.00 C ATOM 1191 NZ LYS A 34 0.112 7.946 -8.989 1.00 0.00 N ATOM 0 H LYS A 34 1.446 12.993 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 34 3.149 11.324 -6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.605 11.214 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.965 12.785 -7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.775 11.622 -9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.187 11.332 -8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.576 9.153 -9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.874 9.269 -7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.320 9.968 -8.545 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.400 9.709 -10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.831 7.774 -9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.820 7.399 -9.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.122 7.650 -7.992 1.00 0.00 H new ATOM 1204 N GLY A 35 4.001 13.714 -5.312 1.00 0.00 N ATOM 1205 CA GLY A 35 4.782 14.940 -5.312 1.00 0.00 C ATOM 1206 C GLY A 35 6.205 14.683 -5.812 1.00 0.00 C ATOM 1207 O GLY A 35 6.890 13.792 -5.314 1.00 0.00 O ATOM 0 H GLY A 35 4.165 13.104 -4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.299 15.683 -5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.816 15.354 -4.304 1.00 0.00 H new ATOM 1211 N CYS A 36 6.607 15.482 -6.790 1.00 0.00 N ATOM 1212 CA CYS A 36 7.937 15.354 -7.362 1.00 0.00 C ATOM 1213 C CYS A 36 8.962 15.640 -6.264 1.00 0.00 C ATOM 1214 O CYS A 36 8.992 16.737 -5.708 1.00 0.00 O ATOM 1215 CB CYS A 36 8.124 16.271 -8.571 1.00 0.00 C ATOM 1216 SG CYS A 36 9.862 16.211 -9.140 1.00 0.00 S ATOM 0 H CYS A 36 6.035 16.220 -7.201 1.00 0.00 H new ATOM 0 HA CYS A 36 8.079 14.339 -7.734 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.458 15.964 -9.377 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.854 17.294 -8.307 1.00 0.00 H new ATOM 1221 N TRP A 37 9.778 14.635 -5.983 1.00 0.00 N ATOM 1222 CA TRP A 37 10.803 14.765 -4.961 1.00 0.00 C ATOM 1223 C TRP A 37 12.037 15.399 -5.607 1.00 0.00 C ATOM 1224 O TRP A 37 13.167 15.063 -5.256 1.00 0.00 O ATOM 1225 CB TRP A 37 11.099 13.415 -4.305 1.00 0.00 C ATOM 1226 CG TRP A 37 10.207 12.274 -4.799 1.00 0.00 C ATOM 1227 CD1 TRP A 37 8.949 11.991 -4.431 1.00 0.00 C ATOM 1228 CD2 TRP A 37 10.558 11.270 -5.775 1.00 0.00 C ATOM 1229 NE1 TRP A 37 8.466 10.881 -5.095 1.00 0.00 N ATOM 1230 CE2 TRP A 37 9.475 10.429 -5.938 1.00 0.00 C ATOM 1231 CE3 TRP A 37 11.750 11.078 -6.494 1.00 0.00 C ATOM 1232 CZ2 TRP A 37 9.477 9.338 -6.816 1.00 0.00 C ATOM 1233 CZ3 TRP A 37 11.736 9.983 -7.368 1.00 0.00 C ATOM 1234 CH2 TRP A 37 10.654 9.127 -7.543 1.00 0.00 C ATOM 0 H TRP A 37 9.750 13.726 -6.446 1.00 0.00 H new ATOM 0 HA TRP A 37 10.461 15.412 -4.153 1.00 0.00 H new ATOM 0 HB2 TRP A 37 12.141 13.154 -4.489 1.00 0.00 H new ATOM 0 HB3 TRP A 37 10.981 13.513 -3.226 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.385 12.560 -3.707 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.539 10.468 -4.987 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.609 11.723 -6.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 8.617 8.694 -6.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.628 9.790 -7.946 1.00 0.00 H new ATOM 0 HH2 TRP A 37 10.722 8.303 -8.237 1.00 0.00 H new ATOM 1245 N LYS A 38 11.779 16.304 -6.539 1.00 0.00 N ATOM 1246 CA LYS A 38 12.854 16.988 -7.237 1.00 0.00 C ATOM 1247 C LYS A 38 12.604 18.497 -7.196 1.00 0.00 C ATOM 1248 O LYS A 38 13.503 19.270 -6.869 1.00 0.00 O ATOM 1249 CB LYS A 38 13.015 16.429 -8.652 1.00 0.00 C ATOM 1250 CG LYS A 38 14.490 16.191 -8.983 1.00 0.00 C ATOM 1251 CD LYS A 38 15.003 14.914 -8.313 1.00 0.00 C ATOM 1252 CE LYS A 38 16.276 15.190 -7.511 1.00 0.00 C ATOM 1253 NZ LYS A 38 17.013 13.932 -7.259 1.00 0.00 N ATOM 0 H LYS A 38 10.840 16.580 -6.827 1.00 0.00 H new ATOM 0 HA LYS A 38 13.807 16.809 -6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.463 15.494 -8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.584 17.124 -9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.616 16.115 -10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.083 17.043 -8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.234 14.510 -7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.203 14.157 -9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.912 15.888 -8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.020 15.665 -6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.874 14.138 -6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.410 13.278 -6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.274 13.495 -8.166 1.00 0.00 H new ATOM 1266 N CYS A 39 11.379 18.871 -7.534 1.00 0.00 N ATOM 1267 CA CYS A 39 11.000 20.274 -7.540 1.00 0.00 C ATOM 1268 C CYS A 39 10.028 20.513 -6.383 1.00 0.00 C ATOM 1269 O CYS A 39 10.003 21.599 -5.804 1.00 0.00 O ATOM 1270 CB CYS A 39 10.401 20.691 -8.885 1.00 0.00 C ATOM 1271 SG CYS A 39 9.034 19.563 -9.339 1.00 0.00 S ATOM 0 H CYS A 39 10.636 18.227 -7.806 1.00 0.00 H new ATOM 0 HA CYS A 39 11.886 20.894 -7.403 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.034 21.716 -8.827 1.00 0.00 H new ATOM 0 HB3 CYS A 39 11.171 20.672 -9.657 1.00 0.00 H new ATOM 1276 N GLY A 40 9.250 19.483 -6.082 1.00 0.00 N ATOM 1277 CA GLY A 40 8.279 19.569 -5.005 1.00 0.00 C ATOM 1278 C GLY A 40 6.893 19.930 -5.544 1.00 0.00 C ATOM 1279 O GLY A 40 6.052 20.443 -4.809 1.00 0.00 O ATOM 0 H GLY A 40 9.273 18.585 -6.565 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.231 18.617 -4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.598 20.319 -4.281 1.00 0.00 H new ATOM 1283 N LYS A 41 6.699 19.648 -6.824 1.00 0.00 N ATOM 1284 CA LYS A 41 5.430 19.936 -7.469 1.00 0.00 C ATOM 1285 C LYS A 41 4.564 18.674 -7.470 1.00 0.00 C ATOM 1286 O LYS A 41 4.996 17.621 -7.935 1.00 0.00 O ATOM 1287 CB LYS A 41 5.659 20.524 -8.863 1.00 0.00 C ATOM 1288 CG LYS A 41 4.879 21.829 -9.043 1.00 0.00 C ATOM 1289 CD LYS A 41 5.311 22.553 -10.319 1.00 0.00 C ATOM 1290 CE LYS A 41 5.371 24.066 -10.097 1.00 0.00 C ATOM 1291 NZ LYS A 41 4.009 24.645 -10.102 1.00 0.00 N ATOM 0 H LYS A 41 7.400 19.223 -7.431 1.00 0.00 H new ATOM 0 HA LYS A 41 4.884 20.697 -6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.723 20.708 -9.014 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.350 19.804 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.811 21.616 -9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.041 22.476 -8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.289 22.189 -10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.612 22.327 -11.124 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.860 24.281 -9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.973 24.531 -10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.068 25.672 -9.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.555 24.456 -11.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.446 24.214 -9.341 1.00 0.00 H new ATOM 1304 N GLU A 42 3.357 18.823 -6.943 1.00 0.00 N ATOM 1305 CA GLU A 42 2.428 17.708 -6.876 1.00 0.00 C ATOM 1306 C GLU A 42 1.633 17.602 -8.179 1.00 0.00 C ATOM 1307 O GLU A 42 0.947 18.545 -8.570 1.00 0.00 O ATOM 1308 CB GLU A 42 1.493 17.845 -5.672 1.00 0.00 C ATOM 1309 CG GLU A 42 0.617 19.093 -5.798 1.00 0.00 C ATOM 1310 CD GLU A 42 -0.863 18.716 -5.898 1.00 0.00 C ATOM 1311 OE1 GLU A 42 -1.188 17.558 -6.199 1.00 0.00 O ATOM 1312 OE2 GLU A 42 -1.689 19.676 -5.651 1.00 0.00 O ATOM 0 H GLU A 42 3.002 19.698 -6.559 1.00 0.00 H new ATOM 0 HA GLU A 42 3.001 16.790 -6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.862 16.960 -5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.080 17.899 -4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.774 19.740 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.912 19.661 -6.680 1.00 0.00 H new ATOM 1320 N GLY A 43 1.750 16.446 -8.814 1.00 0.00 N ATOM 1321 CA GLY A 43 1.050 16.204 -10.064 1.00 0.00 C ATOM 1322 C GLY A 43 1.941 15.447 -11.053 1.00 0.00 C ATOM 1323 O GLY A 43 1.510 14.465 -11.655 1.00 0.00 O ATOM 0 H GLY A 43 2.319 15.666 -8.486 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.144 15.630 -9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.740 17.153 -10.501 1.00 0.00 H new ATOM 1327 N HIS A 44 3.165 15.934 -11.189 1.00 0.00 N ATOM 1328 CA HIS A 44 4.119 15.316 -12.095 1.00 0.00 C ATOM 1329 C HIS A 44 5.125 14.487 -11.293 1.00 0.00 C ATOM 1330 O HIS A 44 5.022 14.392 -10.072 1.00 0.00 O ATOM 1331 CB HIS A 44 4.790 16.370 -12.979 1.00 0.00 C ATOM 1332 CG HIS A 44 5.876 17.153 -12.283 1.00 0.00 C ATOM 1333 ND1 HIS A 44 5.672 18.421 -11.767 1.00 0.00 N ATOM 1334 CD2 HIS A 44 7.177 16.836 -12.022 1.00 0.00 C ATOM 1335 CE1 HIS A 44 6.807 18.839 -11.223 1.00 0.00 C ATOM 1336 NE2 HIS A 44 7.738 17.856 -11.384 1.00 0.00 N ATOM 0 H HIS A 44 3.519 16.749 -10.688 1.00 0.00 H new ATOM 0 HA HIS A 44 3.598 14.638 -12.771 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.215 15.878 -13.854 1.00 0.00 H new ATOM 0 HB3 HIS A 44 4.031 17.064 -13.340 1.00 0.00 H new ATOM 0 HD1 HIS A 44 4.797 18.945 -11.800 1.00 0.00 H new ATOM 0 HD2 HIS A 44 7.667 15.912 -12.289 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.966 19.791 -10.738 1.00 0.00 H new ATOM 1344 N GLN A 45 6.075 13.910 -12.014 1.00 0.00 N ATOM 1345 CA GLN A 45 7.098 13.092 -11.384 1.00 0.00 C ATOM 1346 C GLN A 45 8.481 13.467 -11.921 1.00 0.00 C ATOM 1347 O GLN A 45 8.597 14.043 -13.003 1.00 0.00 O ATOM 1348 CB GLN A 45 6.815 11.603 -11.593 1.00 0.00 C ATOM 1349 CG GLN A 45 7.035 11.202 -13.054 1.00 0.00 C ATOM 1350 CD GLN A 45 5.961 10.216 -13.518 1.00 0.00 C ATOM 1351 OE1 GLN A 45 4.771 10.437 -13.369 1.00 0.00 O ATOM 1352 NE2 GLN A 45 6.447 9.116 -14.088 1.00 0.00 N ATOM 0 H GLN A 45 6.158 13.992 -13.027 1.00 0.00 H new ATOM 0 HA GLN A 45 7.081 13.285 -10.311 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.465 11.012 -10.948 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.789 11.380 -11.302 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.016 12.090 -13.686 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.021 10.751 -13.167 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.455 8.993 -14.182 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.811 8.396 -14.431 1.00 0.00 H new ATOM 1361 N MET A 46 9.496 13.127 -11.140 1.00 0.00 N ATOM 1362 CA MET A 46 10.866 13.421 -11.522 1.00 0.00 C ATOM 1363 C MET A 46 11.154 12.936 -12.945 1.00 0.00 C ATOM 1364 O MET A 46 11.793 13.639 -13.727 1.00 0.00 O ATOM 1365 CB MET A 46 11.826 12.739 -10.546 1.00 0.00 C ATOM 1366 CG MET A 46 13.282 13.063 -10.893 1.00 0.00 C ATOM 1367 SD MET A 46 14.369 11.863 -10.140 1.00 0.00 S ATOM 1368 CE MET A 46 15.904 12.288 -10.946 1.00 0.00 C ATOM 0 H MET A 46 9.396 12.650 -10.244 1.00 0.00 H new ATOM 0 HA MET A 46 11.009 14.501 -11.490 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.609 13.066 -9.529 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.673 11.660 -10.574 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.416 13.060 -11.975 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.534 14.064 -10.544 1.00 0.00 H new ATOM 0 HE1 MET A 46 16.741 12.014 -10.303 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.980 11.750 -11.891 1.00 0.00 H new ATOM 0 HE3 MET A 46 15.930 13.361 -11.137 1.00 0.00 H new ATOM 1378 N LYS A 47 10.670 11.738 -13.236 1.00 0.00 N ATOM 1379 CA LYS A 47 10.867 11.151 -14.552 1.00 0.00 C ATOM 1380 C LYS A 47 10.324 12.104 -15.618 1.00 0.00 C ATOM 1381 O LYS A 47 10.908 12.236 -16.692 1.00 0.00 O ATOM 1382 CB LYS A 47 10.256 9.750 -14.609 1.00 0.00 C ATOM 1383 CG LYS A 47 10.587 9.061 -15.935 1.00 0.00 C ATOM 1384 CD LYS A 47 9.394 9.110 -16.891 1.00 0.00 C ATOM 1385 CE LYS A 47 8.536 7.850 -16.761 1.00 0.00 C ATOM 1386 NZ LYS A 47 7.364 7.925 -17.662 1.00 0.00 N ATOM 0 H LYS A 47 10.142 11.157 -12.584 1.00 0.00 H new ATOM 0 HA LYS A 47 11.930 11.019 -14.756 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.633 9.151 -13.780 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.175 9.816 -14.489 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.447 9.546 -16.396 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.867 8.024 -15.750 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.788 9.991 -16.678 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.749 9.208 -17.917 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.132 6.970 -17.003 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.202 7.735 -15.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.793 7.062 -17.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.787 8.753 -17.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.688 8.012 -18.646 1.00 0.00 H new ATOM 1399 N ASP A 48 9.214 12.745 -15.283 1.00 0.00 N ATOM 1400 CA ASP A 48 8.585 13.682 -16.199 1.00 0.00 C ATOM 1401 C ASP A 48 8.617 15.083 -15.588 1.00 0.00 C ATOM 1402 O ASP A 48 7.694 15.872 -15.786 1.00 0.00 O ATOM 1403 CB ASP A 48 7.123 13.308 -16.451 1.00 0.00 C ATOM 1404 CG ASP A 48 6.744 13.136 -17.923 1.00 0.00 C ATOM 1405 OD1 ASP A 48 6.495 12.015 -18.392 1.00 0.00 O ATOM 1406 OD2 ASP A 48 6.709 14.229 -18.608 1.00 0.00 O ATOM 0 H ASP A 48 8.734 12.634 -14.390 1.00 0.00 H new ATOM 0 HA ASP A 48 9.132 13.652 -17.141 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.905 12.379 -15.924 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.486 14.078 -16.015 1.00 0.00 H new ATOM 1412 N CYS A 49 9.689 15.352 -14.857 1.00 0.00 N ATOM 1413 CA CYS A 49 9.853 16.646 -14.216 1.00 0.00 C ATOM 1414 C CYS A 49 9.672 17.734 -15.276 1.00 0.00 C ATOM 1415 O CYS A 49 10.499 17.871 -16.177 1.00 0.00 O ATOM 1416 CB CYS A 49 11.204 16.759 -13.507 1.00 0.00 C ATOM 1417 SG CYS A 49 11.252 18.278 -12.489 1.00 0.00 S ATOM 0 H CYS A 49 10.453 14.696 -14.694 1.00 0.00 H new ATOM 0 HA CYS A 49 9.098 16.768 -13.439 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.368 15.884 -12.878 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.009 16.778 -14.242 1.00 0.00 H new ATOM 1422 N THR A 50 8.586 18.479 -15.134 1.00 0.00 N ATOM 1423 CA THR A 50 8.286 19.551 -16.068 1.00 0.00 C ATOM 1424 C THR A 50 9.145 20.780 -15.764 1.00 0.00 C ATOM 1425 O THR A 50 9.019 21.810 -16.424 1.00 0.00 O ATOM 1426 CB THR A 50 6.783 19.828 -16.004 1.00 0.00 C ATOM 1427 OG1 THR A 50 6.570 20.824 -17.000 1.00 0.00 O ATOM 1428 CG2 THR A 50 6.370 20.514 -14.699 1.00 0.00 C ATOM 0 H THR A 50 7.903 18.362 -14.386 1.00 0.00 H new ATOM 0 HA THR A 50 8.534 19.266 -17.090 1.00 0.00 H new ATOM 0 HB THR A 50 6.237 18.891 -16.112 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.347 21.420 -17.039 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.294 20.688 -14.704 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.630 19.876 -13.854 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.891 21.467 -14.608 1.00 0.00 H new ATOM 1436 N GLU A 51 10.000 20.631 -14.762 1.00 0.00 N ATOM 1437 CA GLU A 51 10.880 21.716 -14.362 1.00 0.00 C ATOM 1438 C GLU A 51 12.187 21.158 -13.796 1.00 0.00 C ATOM 1439 O GLU A 51 12.449 21.275 -12.599 1.00 0.00 O ATOM 1440 CB GLU A 51 10.192 22.635 -13.350 1.00 0.00 C ATOM 1441 CG GLU A 51 9.848 23.986 -13.981 1.00 0.00 C ATOM 1442 CD GLU A 51 9.914 25.108 -12.943 1.00 0.00 C ATOM 1443 OE1 GLU A 51 10.887 25.189 -12.178 1.00 0.00 O ATOM 1444 OE2 GLU A 51 8.908 25.915 -12.948 1.00 0.00 O ATOM 0 H GLU A 51 10.102 19.776 -14.216 1.00 0.00 H new ATOM 0 HA GLU A 51 11.114 22.312 -15.244 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.283 22.160 -12.981 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.844 22.787 -12.490 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.541 24.198 -14.796 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.849 23.945 -14.415 1.00 0.00 H new ATOM 1452 N ARG A 52 12.973 20.564 -14.682 1.00 0.00 N ATOM 1453 CA ARG A 52 14.247 19.989 -14.285 1.00 0.00 C ATOM 1454 C ARG A 52 14.991 20.941 -13.348 1.00 0.00 C ATOM 1455 O ARG A 52 15.056 22.143 -13.602 1.00 0.00 O ATOM 1456 CB ARG A 52 15.123 19.696 -15.506 1.00 0.00 C ATOM 1457 CG ARG A 52 16.013 18.476 -15.262 1.00 0.00 C ATOM 1458 CD ARG A 52 16.848 18.150 -16.501 1.00 0.00 C ATOM 1459 NE ARG A 52 16.492 16.809 -17.014 1.00 0.00 N ATOM 1460 CZ ARG A 52 15.472 16.571 -17.865 1.00 0.00 C ATOM 1461 NH1 ARG A 52 14.698 17.584 -18.308 1.00 0.00 N ATOM 1462 NH2 ARG A 52 15.244 15.331 -18.258 1.00 0.00 N ATOM 0 H ARG A 52 12.752 20.469 -15.673 1.00 0.00 H new ATOM 0 HA ARG A 52 14.041 19.053 -13.767 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.492 19.522 -16.377 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.743 20.564 -15.730 1.00 0.00 H new ATOM 0 HG2 ARG A 52 16.672 18.666 -14.415 1.00 0.00 H new ATOM 0 HG3 ARG A 52 15.395 17.617 -14.999 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.677 18.901 -17.273 1.00 0.00 H new ATOM 0 HD3 ARG A 52 17.909 18.184 -16.254 1.00 0.00 H new ATOM 0 HE ARG A 52 17.052 16.015 -16.705 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.882 18.539 -18.000 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.929 17.395 -18.951 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.834 14.572 -17.919 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.477 15.133 -18.901 1.00 0.00 H new ATOM 1475 N GLN A 53 15.535 20.369 -12.283 1.00 0.00 N ATOM 1476 CA GLN A 53 16.272 21.152 -11.307 1.00 0.00 C ATOM 1477 C GLN A 53 16.768 20.254 -10.172 1.00 0.00 C ATOM 1478 O GLN A 53 16.070 19.331 -9.756 1.00 0.00 O ATOM 1479 CB GLN A 53 15.417 22.299 -10.765 1.00 0.00 C ATOM 1480 CG GLN A 53 16.133 23.641 -10.926 1.00 0.00 C ATOM 1481 CD GLN A 53 15.317 24.776 -10.306 1.00 0.00 C ATOM 1482 OE1 GLN A 53 14.466 24.571 -9.457 1.00 0.00 O ATOM 1483 NE2 GLN A 53 15.624 25.982 -10.777 1.00 0.00 N ATOM 0 H GLN A 53 15.480 19.372 -12.075 1.00 0.00 H new ATOM 0 HA GLN A 53 17.138 21.591 -11.802 1.00 0.00 H new ATOM 0 HB2 GLN A 53 14.463 22.326 -11.292 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.195 22.125 -9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.114 23.593 -10.453 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.299 23.844 -11.984 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.348 26.083 -11.488 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.135 26.806 -10.427 1.00 0.00 H new ATOM 1492 N ALA A 54 17.970 20.556 -9.704 1.00 0.00 N ATOM 1493 CA ALA A 54 18.567 19.787 -8.624 1.00 0.00 C ATOM 1494 C ALA A 54 18.832 20.710 -7.433 1.00 0.00 C ATOM 1495 O ALA A 54 18.281 20.509 -6.352 1.00 0.00 O ATOM 1496 CB ALA A 54 19.840 19.105 -9.127 1.00 0.00 C ATOM 0 H ALA A 54 18.547 21.322 -10.052 1.00 0.00 H new ATOM 0 HA ALA A 54 17.887 19.003 -8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 54 20.288 18.528 -8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 54 19.594 18.439 -9.954 1.00 0.00 H new ATOM 0 HB3 ALA A 54 20.547 19.861 -9.468 1.00 0.00 H new ATOM 1502 N ASN A 55 19.677 21.704 -7.670 1.00 0.00 N ATOM 1503 CA ASN A 55 20.021 22.659 -6.631 1.00 0.00 C ATOM 1504 C ASN A 55 19.077 23.860 -6.713 1.00 0.00 C ATOM 1505 O ASN A 55 17.862 23.692 -6.812 1.00 0.00 O ATOM 1506 CB ASN A 55 21.453 23.170 -6.804 1.00 0.00 C ATOM 1507 CG ASN A 55 22.266 22.971 -5.524 1.00 0.00 C ATOM 1508 OD1 ASN A 55 22.067 23.638 -4.523 1.00 0.00 O ATOM 1509 ND2 ASN A 55 23.191 22.019 -5.612 1.00 0.00 N ATOM 0 H ASN A 55 20.133 21.868 -8.567 1.00 0.00 H new ATOM 0 HA ASN A 55 19.932 22.155 -5.668 1.00 0.00 H new ATOM 0 HB2 ASN A 55 21.933 22.644 -7.629 1.00 0.00 H new ATOM 0 HB3 ASN A 55 21.436 24.228 -7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 55 23.786 21.810 -4.810 1.00 0.00 H new ATOM 0 HD22 ASN A 55 23.305 21.498 -6.481 1.00 0.00 H new TER 1516 ASN A 55 HETATM 1517 ZN ZN A 56 8.520 7.060 1.444 1.00 0.00 ZN HETATM 1518 ZN ZN A 57 9.724 17.922 -10.809 1.00 0.00 ZN