USER MOD reduce.3.24.130724 H: found=0, std=0, add=201, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 201 hydrogens (110 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: B 10 CPNH1'3 : B 10 CPN N1' : B 9 GPN C' :...(NH2R) USER MOD NoAdj-H: B 10 CPNH1'2 : B 10 CPN N1' : B 9 GPN C' :...(NH2R) USER MOD NoAdj-H: B 11 TPNH1'3 : B 11 TPN N1' : B 10 CPN C' :...(NH2R) USER MOD NoAdj-H: B 11 TPNH1'1 : B 11 TPN N1' : B 10 CPN C' :...(NH2R) USER MOD NoAdj-H: B 12 APNH1'2 : B 12 APN N1' : B 12 APN C2' :...(NH2R) USER MOD NoAdj-H: B 12 APNH1'1 : B 12 APN N1' : B 12 APN C2' :...(NH2R) USER MOD NoAdj-H: B 13 TPNH1'1 : B 13 TPN N1' : B 13 TPN C2' :...(NH2R) USER MOD NoAdj-H: B 14 GPNH1'2 : B 14 GPN N1' : B 13 TPN C' :...(NH2R) USER MOD NoAdj-H: B 14 GPNH1'1 : B 14 GPN N1' : B 13 TPN C' :...(NH2R) USER MOD NoAdj-H: B 15 TPNH1'2 : B 15 TPN N1' : B 14 GPN C' :...(NH2R) USER MOD NoAdj-H: B 15 TPNH1'1 : B 15 TPN N1' : B 14 GPN C' :...(NH2R) USER MOD NoAdj-H: B 16 CPNH1'3 : B 16 CPN N1' : B 16 CPN C2' :...(NH2R) USER MOD NoAdj-H: B 16 CPNH1'1 : B 16 CPN N1' : B 16 CPN C2' :...(NH2R) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl 150:sc= -0.758 (180deg=-0.758) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 GPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 CPN N1' :NH3+ -95:sc= 1.1 (180deg=-1.08) USER MOD Single : B 11 TPN N1' :NH3+ 180:sc= -0.638 (180deg=-0.638) USER MOD Single : B 12 APN N1' :NH3+ 180:sc= -1.66! (180deg=-1.66!) USER MOD Single : B 13 TPN N1' :NH3+ -126:sc= 0.0569 (180deg=0) USER MOD Single : B 14 GPN N1' :NH3+ 180:sc= -1.53 (180deg=-1.53) USER MOD Single : B 15 TPN N1' :NH3+ 180:sc=-0.00909 (180deg=-0.00909) USER MOD Single : B 16 CPN N1' :NH3+ -91:sc= -0.615! (180deg=-2.27!) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -11.898 -10.549 -3.954 1.00 1.10 O ATOM 2 C5' DG A 1 -12.555 -11.259 -2.900 1.00 1.03 C ATOM 3 C4' DG A 1 -11.584 -11.626 -1.780 1.00 0.86 C ATOM 4 O4' DG A 1 -10.515 -12.463 -2.285 1.00 0.83 O ATOM 5 C3' DG A 1 -10.955 -10.375 -1.170 1.00 0.76 C ATOM 6 O3' DG A 1 -11.147 -10.350 0.250 1.00 0.69 O ATOM 7 C2' DG A 1 -9.489 -10.458 -1.528 1.00 0.71 C ATOM 8 C1' DG A 1 -9.238 -11.896 -1.931 1.00 0.74 C ATOM 9 N9 DG A 1 -8.284 -11.977 -3.054 1.00 0.77 N ATOM 10 C8 DG A 1 -8.476 -11.693 -4.375 1.00 0.89 C ATOM 11 N7 DG A 1 -7.412 -11.764 -5.116 1.00 0.89 N ATOM 12 C5 DG A 1 -6.423 -12.142 -4.212 1.00 0.76 C ATOM 13 C6 DG A 1 -5.040 -12.387 -4.426 1.00 0.72 C ATOM 14 O6 DG A 1 -4.400 -12.290 -5.467 1.00 0.76 O ATOM 15 N1 DG A 1 -4.401 -12.749 -3.251 1.00 0.58 N ATOM 16 C2 DG A 1 -5.010 -12.862 -2.021 1.00 0.51 C ATOM 17 N2 DG A 1 -4.226 -13.182 -0.999 1.00 0.45 N ATOM 18 N3 DG A 1 -6.307 -12.635 -1.815 1.00 0.57 N ATOM 19 C4 DG A 1 -6.949 -12.280 -2.949 1.00 0.68 C ATOM 0 H5' DG A 1 -13.010 -12.165 -3.299 1.00 1.03 H new ATOM 0 H5'' DG A 1 -13.362 -10.648 -2.497 1.00 1.03 H new ATOM 0 H4' DG A 1 -12.155 -12.161 -1.021 1.00 0.86 H new ATOM 0 H3' DG A 1 -11.409 -9.459 -1.549 1.00 0.76 H new ATOM 0 H2' DG A 1 -9.247 -9.776 -2.344 1.00 0.71 H new ATOM 0 H2'' DG A 1 -8.864 -10.175 -0.681 1.00 0.71 H new ATOM 0 HO5' DG A 1 -12.547 -10.331 -4.655 1.00 1.10 H new ATOM 0 H1' DG A 1 -8.788 -12.453 -1.109 1.00 0.74 H new ATOM 0 H8 DG A 1 -9.443 -11.428 -4.775 1.00 0.89 H new ATOM 0 H1 DG A 1 -3.402 -12.947 -3.301 1.00 0.58 H new ATOM 0 H21 DG A 1 -4.622 -13.280 -0.064 1.00 0.45 H new ATOM 0 H22 DG A 1 -3.228 -13.330 -1.149 1.00 0.45 H new ATOM 32 P DA A 2 -10.397 -9.258 1.171 1.00 0.60 P ATOM 33 OP1 DA A 2 -10.994 -9.305 2.524 1.00 0.63 O ATOM 34 OP2 DA A 2 -10.351 -7.978 0.429 1.00 0.69 O ATOM 35 O5' DA A 2 -8.898 -9.846 1.256 1.00 0.52 O ATOM 36 C5' DA A 2 -8.589 -10.935 2.136 1.00 0.47 C ATOM 37 C4' DA A 2 -7.097 -10.999 2.455 1.00 0.37 C ATOM 38 O4' DA A 2 -6.331 -11.377 1.292 1.00 0.39 O ATOM 39 C3' DA A 2 -6.588 -9.645 2.930 1.00 0.33 C ATOM 40 O3' DA A 2 -6.284 -9.665 4.330 1.00 0.34 O ATOM 41 C2' DA A 2 -5.358 -9.359 2.104 1.00 0.34 C ATOM 42 C1' DA A 2 -5.146 -10.565 1.210 1.00 0.33 C ATOM 43 N9 DA A 2 -4.878 -10.156 -0.180 1.00 0.37 N ATOM 44 C8 DA A 2 -5.713 -9.566 -1.085 1.00 0.45 C ATOM 45 N7 DA A 2 -5.175 -9.305 -2.240 1.00 0.45 N ATOM 46 C5 DA A 2 -3.870 -9.770 -2.090 1.00 0.35 C ATOM 47 C6 DA A 2 -2.768 -9.798 -2.952 1.00 0.32 C ATOM 48 N6 DA A 2 -2.816 -9.366 -4.209 1.00 0.36 N ATOM 49 N1 DA A 2 -1.628 -10.330 -2.481 1.00 0.28 N ATOM 50 C2 DA A 2 -1.575 -10.812 -1.238 1.00 0.26 C ATOM 51 N3 DA A 2 -2.554 -10.827 -0.343 1.00 0.27 N ATOM 52 C4 DA A 2 -3.682 -10.288 -0.841 1.00 0.31 C ATOM 0 H5' DA A 2 -8.904 -11.873 1.678 1.00 0.47 H new ATOM 0 H5'' DA A 2 -9.154 -10.826 3.061 1.00 0.47 H new ATOM 0 H4' DA A 2 -6.972 -11.746 3.239 1.00 0.37 H new ATOM 0 H3' DA A 2 -7.342 -8.868 2.802 1.00 0.33 H new ATOM 0 H2' DA A 2 -5.492 -8.455 1.510 1.00 0.34 H new ATOM 0 H2'' DA A 2 -4.491 -9.194 2.744 1.00 0.34 H new ATOM 0 H1' DA A 2 -4.275 -11.132 1.540 1.00 0.33 H new ATOM 0 H8 DA A 2 -6.743 -9.333 -0.859 1.00 0.45 H new ATOM 0 H61 DA A 2 -1.982 -9.409 -4.795 1.00 0.36 H new ATOM 0 H62 DA A 2 -3.686 -8.992 -4.587 1.00 0.36 H new ATOM 0 H2 DA A 2 -0.632 -11.236 -0.926 1.00 0.26 H new ATOM 64 P DC A 3 -5.715 -8.351 5.070 1.00 0.38 P ATOM 65 OP1 DC A 3 -5.754 -8.589 6.531 1.00 0.48 O ATOM 66 OP2 DC A 3 -6.393 -7.166 4.497 1.00 0.48 O ATOM 67 O5' DC A 3 -4.172 -8.326 4.598 1.00 0.32 O ATOM 68 C5' DC A 3 -3.222 -9.242 5.159 1.00 0.30 C ATOM 69 C4' DC A 3 -1.792 -8.911 4.737 1.00 0.30 C ATOM 70 O4' DC A 3 -1.588 -9.156 3.331 1.00 0.29 O ATOM 71 C3' DC A 3 -1.467 -7.448 5.007 1.00 0.35 C ATOM 72 O3' DC A 3 -0.589 -7.313 6.131 1.00 0.45 O ATOM 73 C2' DC A 3 -0.824 -6.936 3.736 1.00 0.32 C ATOM 74 C1' DC A 3 -0.771 -8.112 2.772 1.00 0.27 C ATOM 75 N1 DC A 3 -1.248 -7.739 1.423 1.00 0.26 N ATOM 76 C2 DC A 3 -0.300 -7.637 0.415 1.00 0.29 C ATOM 77 O2 DC A 3 0.889 -7.814 0.662 1.00 0.36 O ATOM 78 N3 DC A 3 -0.714 -7.279 -0.827 1.00 0.29 N ATOM 79 C4 DC A 3 -1.999 -7.014 -1.073 1.00 0.30 C ATOM 80 N4 DC A 3 -2.370 -6.732 -2.321 1.00 0.38 N ATOM 81 C5 DC A 3 -2.980 -7.095 -0.035 1.00 0.32 C ATOM 82 C6 DC A 3 -2.566 -7.474 1.189 1.00 0.28 C ATOM 0 H5' DC A 3 -3.467 -10.257 4.845 1.00 0.30 H new ATOM 0 H5'' DC A 3 -3.294 -9.219 6.246 1.00 0.30 H new ATOM 0 H4' DC A 3 -1.138 -9.557 5.324 1.00 0.30 H new ATOM 0 H3' DC A 3 -2.360 -6.876 5.259 1.00 0.35 H new ATOM 0 H2' DC A 3 -1.402 -6.114 3.313 1.00 0.32 H new ATOM 0 H2'' DC A 3 0.177 -6.553 3.935 1.00 0.32 H new ATOM 0 H1' DC A 3 0.259 -8.446 2.650 1.00 0.27 H new ATOM 0 H41 DC A 3 -3.347 -6.527 -2.528 1.00 0.38 H new ATOM 0 H42 DC A 3 -1.677 -6.721 -3.069 1.00 0.38 H new ATOM 0 H5 DC A 3 -4.017 -6.860 -0.226 1.00 0.32 H new ATOM 0 H6 DC A 3 -3.282 -7.569 1.992 1.00 0.28 H new ATOM 94 P DA A 4 0.014 -5.877 6.540 1.00 0.53 P ATOM 95 OP1 DA A 4 0.693 -6.012 7.847 1.00 0.68 O ATOM 96 OP2 DA A 4 -1.049 -4.860 6.364 1.00 0.60 O ATOM 97 O5' DA A 4 1.134 -5.639 5.406 1.00 0.43 O ATOM 98 C5' DA A 4 2.476 -6.106 5.596 1.00 0.40 C ATOM 99 C4' DA A 4 3.480 -5.256 4.824 1.00 0.26 C ATOM 100 O4' DA A 4 3.392 -5.503 3.399 1.00 0.27 O ATOM 101 C3' DA A 4 3.221 -3.769 5.060 1.00 0.22 C ATOM 102 O3' DA A 4 4.357 -3.133 5.657 1.00 0.24 O ATOM 103 C2' DA A 4 2.930 -3.204 3.694 1.00 0.22 C ATOM 104 C1' DA A 4 3.393 -4.244 2.703 1.00 0.21 C ATOM 105 N9 DA A 4 2.504 -4.254 1.537 1.00 0.24 N ATOM 106 C8 DA A 4 1.178 -4.541 1.484 1.00 0.28 C ATOM 107 N7 DA A 4 0.616 -4.343 0.329 1.00 0.29 N ATOM 108 C5 DA A 4 1.666 -3.857 -0.446 1.00 0.24 C ATOM 109 C6 DA A 4 1.747 -3.431 -1.773 1.00 0.25 C ATOM 110 N6 DA A 4 0.703 -3.401 -2.596 1.00 0.31 N ATOM 111 N1 DA A 4 2.943 -3.011 -2.214 1.00 0.22 N ATOM 112 C2 DA A 4 3.998 -3.006 -1.400 1.00 0.19 C ATOM 113 N3 DA A 4 4.029 -3.388 -0.131 1.00 0.19 N ATOM 114 C4 DA A 4 2.817 -3.805 0.283 1.00 0.20 C ATOM 0 H5' DA A 4 2.550 -7.144 5.271 1.00 0.40 H new ATOM 0 H5'' DA A 4 2.722 -6.086 6.658 1.00 0.40 H new ATOM 0 H4' DA A 4 4.472 -5.530 5.184 1.00 0.26 H new ATOM 0 H3' DA A 4 2.395 -3.603 5.752 1.00 0.22 H new ATOM 0 H2' DA A 4 1.866 -2.999 3.576 1.00 0.22 H new ATOM 0 H2'' DA A 4 3.455 -2.261 3.543 1.00 0.22 H new ATOM 0 H1' DA A 4 4.393 -4.033 2.325 1.00 0.21 H new ATOM 0 H8 DA A 4 0.630 -4.907 2.340 1.00 0.28 H new ATOM 0 H61 DA A 4 0.820 -3.080 -3.557 1.00 0.31 H new ATOM 0 H62 DA A 4 -0.215 -3.699 -2.266 1.00 0.31 H new ATOM 0 H2 DA A 4 4.928 -2.653 -1.819 1.00 0.19 H new ATOM 126 P DT A 5 4.433 -1.527 5.780 1.00 0.36 P ATOM 127 OP1 DT A 5 5.619 -1.180 6.594 1.00 0.51 O ATOM 128 OP2 DT A 5 3.097 -1.025 6.172 1.00 0.46 O ATOM 129 O5' DT A 5 4.713 -1.076 4.256 1.00 0.32 O ATOM 130 C5' DT A 5 5.994 -1.299 3.655 1.00 0.35 C ATOM 131 C4' DT A 5 6.347 -0.212 2.642 1.00 0.40 C ATOM 132 O4' DT A 5 5.756 -0.477 1.351 1.00 0.33 O ATOM 133 C3' DT A 5 5.855 1.153 3.112 1.00 0.45 C ATOM 134 O3' DT A 5 6.964 2.013 3.417 1.00 0.64 O ATOM 135 C2' DT A 5 5.019 1.689 1.968 1.00 0.36 C ATOM 136 C1' DT A 5 5.255 0.753 0.800 1.00 0.30 C ATOM 137 N1 DT A 5 4.024 0.526 0.022 1.00 0.21 N ATOM 138 C2 DT A 5 3.983 1.034 -1.266 1.00 0.20 C ATOM 139 O2 DT A 5 4.919 1.656 -1.756 1.00 0.29 O ATOM 140 N3 DT A 5 2.818 0.817 -1.966 1.00 0.21 N ATOM 141 C4 DT A 5 1.702 0.152 -1.498 1.00 0.28 C ATOM 142 O4 DT A 5 0.726 -0.014 -2.221 1.00 0.43 O ATOM 143 C5 DT A 5 1.831 -0.331 -0.141 1.00 0.23 C ATOM 144 C7 DT A 5 0.636 -0.970 0.548 1.00 0.29 C ATOM 145 C6 DT A 5 2.962 -0.147 0.559 1.00 0.18 C ATOM 0 H5' DT A 5 5.999 -2.271 3.161 1.00 0.35 H new ATOM 0 H5'' DT A 5 6.758 -1.333 4.432 1.00 0.35 H new ATOM 0 H4' DT A 5 7.433 -0.212 2.554 1.00 0.40 H new ATOM 0 H3' DT A 5 5.270 1.091 4.029 1.00 0.45 H new ATOM 0 H2' DT A 5 3.963 1.718 2.237 1.00 0.36 H new ATOM 0 H2'' DT A 5 5.312 2.708 1.716 1.00 0.36 H new ATOM 0 H1' DT A 5 5.970 1.189 0.103 1.00 0.30 H new ATOM 0 H3 DT A 5 2.775 1.181 -2.918 1.00 0.21 H new ATOM 0 H71 DT A 5 0.984 -1.712 1.267 1.00 0.29 H new ATOM 0 H72 DT A 5 0.062 -0.203 1.068 1.00 0.29 H new ATOM 0 H73 DT A 5 0.003 -1.454 -0.196 1.00 0.29 H new ATOM 0 H6 DT A 5 3.034 -0.537 1.563 1.00 0.18 H new ATOM 158 P DA A 6 6.783 3.611 3.495 1.00 0.76 P ATOM 159 OP1 DA A 6 8.054 4.200 3.972 1.00 0.98 O ATOM 160 OP2 DA A 6 5.519 3.904 4.207 1.00 0.79 O ATOM 161 O5' DA A 6 6.593 4.005 1.946 1.00 0.68 O ATOM 162 C5' DA A 6 7.658 3.810 1.007 1.00 0.69 C ATOM 163 C4' DA A 6 7.393 4.552 -0.298 1.00 0.60 C ATOM 164 O4' DA A 6 6.313 3.945 -1.035 1.00 0.51 O ATOM 165 C3' DA A 6 7.007 5.996 -0.020 1.00 0.60 C ATOM 166 O3' DA A 6 8.091 6.890 -0.317 1.00 0.69 O ATOM 167 C2' DA A 6 5.794 6.262 -0.882 1.00 0.49 C ATOM 168 C1' DA A 6 5.497 4.975 -1.620 1.00 0.43 C ATOM 169 N9 DA A 6 4.064 4.641 -1.536 1.00 0.38 N ATOM 170 C8 DA A 6 3.348 4.156 -0.479 1.00 0.41 C ATOM 171 N7 DA A 6 2.061 4.098 -0.667 1.00 0.39 N ATOM 172 C5 DA A 6 1.914 4.575 -1.969 1.00 0.33 C ATOM 173 C6 DA A 6 0.798 4.771 -2.792 1.00 0.33 C ATOM 174 N6 DA A 6 -0.455 4.540 -2.405 1.00 0.40 N ATOM 175 N1 DA A 6 1.020 5.252 -4.024 1.00 0.33 N ATOM 176 C2 DA A 6 2.257 5.528 -4.430 1.00 0.32 C ATOM 177 N3 DA A 6 3.375 5.386 -3.736 1.00 0.33 N ATOM 178 C4 DA A 6 3.128 4.900 -2.503 1.00 0.33 C ATOM 0 H5' DA A 6 7.776 2.746 0.804 1.00 0.69 H new ATOM 0 H5'' DA A 6 8.596 4.158 1.441 1.00 0.69 H new ATOM 0 H4' DA A 6 8.312 4.506 -0.883 1.00 0.60 H new ATOM 0 H3' DA A 6 6.781 6.162 1.033 1.00 0.60 H new ATOM 0 H2' DA A 6 4.943 6.563 -0.271 1.00 0.49 H new ATOM 0 H2'' DA A 6 5.987 7.075 -1.582 1.00 0.49 H new ATOM 0 H1' DA A 6 5.730 5.078 -2.680 1.00 0.43 H new ATOM 0 H8 DA A 6 3.814 3.844 0.444 1.00 0.41 H new ATOM 0 H61 DA A 6 -1.227 4.702 -3.052 1.00 0.40 H new ATOM 0 H62 DA A 6 -0.643 4.201 -1.462 1.00 0.40 H new ATOM 0 H2 DA A 6 2.360 5.909 -5.435 1.00 0.32 H new ATOM 190 P DG A 7 7.825 8.442 -0.666 1.00 0.70 P ATOM 191 OP1 DG A 7 9.131 9.096 -0.910 1.00 0.84 O ATOM 192 OP2 DG A 7 6.898 8.996 0.347 1.00 0.81 O ATOM 193 O5' DG A 7 7.040 8.340 -2.070 1.00 0.52 O ATOM 194 C5' DG A 7 7.706 7.849 -3.240 1.00 0.48 C ATOM 195 C4' DG A 7 7.217 8.558 -4.495 1.00 0.37 C ATOM 196 O4' DG A 7 5.948 8.033 -4.944 1.00 0.32 O ATOM 197 C3' DG A 7 7.045 10.043 -4.223 1.00 0.36 C ATOM 198 O3' DG A 7 8.105 10.807 -4.805 1.00 0.44 O ATOM 199 C2' DG A 7 5.708 10.409 -4.818 1.00 0.31 C ATOM 200 C1' DG A 7 5.007 9.109 -5.153 1.00 0.28 C ATOM 201 N9 DG A 7 3.826 8.927 -4.294 1.00 0.26 N ATOM 202 C8 DG A 7 3.777 8.587 -2.977 1.00 0.31 C ATOM 203 N7 DG A 7 2.579 8.461 -2.483 1.00 0.33 N ATOM 204 C5 DG A 7 1.757 8.761 -3.571 1.00 0.28 C ATOM 205 C6 DG A 7 0.337 8.804 -3.664 1.00 0.31 C ATOM 206 O6 DG A 7 -0.497 8.567 -2.794 1.00 0.40 O ATOM 207 N1 DG A 7 -0.078 9.158 -4.938 1.00 0.27 N ATOM 208 C2 DG A 7 0.758 9.432 -5.995 1.00 0.25 C ATOM 209 N2 DG A 7 0.174 9.815 -7.124 1.00 0.29 N ATOM 210 N3 DG A 7 2.088 9.386 -5.919 1.00 0.25 N ATOM 211 C4 DG A 7 2.516 9.049 -4.682 1.00 0.24 C ATOM 0 H5' DG A 7 7.534 6.777 -3.335 1.00 0.48 H new ATOM 0 H5'' DG A 7 8.782 7.991 -3.135 1.00 0.48 H new ATOM 0 H4' DG A 7 7.966 8.392 -5.269 1.00 0.37 H new ATOM 0 H3' DG A 7 7.080 10.261 -3.156 1.00 0.36 H new ATOM 0 H2' DG A 7 5.119 10.995 -4.113 1.00 0.31 H new ATOM 0 H2'' DG A 7 5.837 11.020 -5.711 1.00 0.31 H new ATOM 0 H1' DG A 7 4.667 9.120 -6.189 1.00 0.28 H new ATOM 0 H8 DG A 7 4.667 8.433 -2.385 1.00 0.31 H new ATOM 0 H1 DG A 7 -1.082 9.220 -5.105 1.00 0.27 H new ATOM 0 H21 DG A 7 0.741 10.032 -7.943 1.00 0.29 H new ATOM 0 H22 DG A 7 -0.842 9.892 -7.172 1.00 0.29 H new ATOM 223 P DC A 8 8.156 12.406 -4.625 1.00 0.56 P ATOM 224 OP1 DC A 8 9.495 12.879 -5.041 1.00 0.76 O ATOM 225 OP2 DC A 8 7.642 12.740 -3.277 1.00 0.63 O ATOM 226 O5' DC A 8 7.083 12.912 -5.711 1.00 0.58 O ATOM 227 C5' DC A 8 7.302 12.700 -7.110 1.00 0.63 C ATOM 228 C4' DC A 8 6.082 13.106 -7.927 1.00 0.62 C ATOM 229 O4' DC A 8 4.941 12.289 -7.586 1.00 0.56 O ATOM 230 C3' DC A 8 5.714 14.557 -7.654 1.00 0.67 C ATOM 231 O3' DC A 8 6.081 15.407 -8.744 1.00 0.83 O ATOM 232 C2' DC A 8 4.225 14.565 -7.430 1.00 0.65 C ATOM 233 C1' DC A 8 3.777 13.122 -7.396 1.00 0.54 C ATOM 234 N1 DC A 8 3.108 12.823 -6.113 1.00 0.48 N ATOM 235 C2 DC A 8 1.779 12.440 -6.161 1.00 0.49 C ATOM 236 O2 DC A 8 1.180 12.419 -7.230 1.00 0.55 O ATOM 237 N3 DC A 8 1.166 12.093 -5.001 1.00 0.48 N ATOM 238 C4 DC A 8 1.824 12.110 -3.841 1.00 0.47 C ATOM 239 N4 DC A 8 1.170 11.804 -2.723 1.00 0.52 N ATOM 240 C5 DC A 8 3.199 12.495 -3.783 1.00 0.50 C ATOM 241 C6 DC A 8 3.797 12.856 -4.935 1.00 0.50 C ATOM 0 H5' DC A 8 7.530 11.649 -7.290 1.00 0.63 H new ATOM 0 H5'' DC A 8 8.169 13.275 -7.436 1.00 0.63 H new ATOM 0 H4' DC A 8 6.337 12.972 -8.978 1.00 0.62 H new ATOM 0 H3' DC A 8 6.250 14.944 -6.787 1.00 0.67 H new ATOM 0 H2' DC A 8 3.978 15.068 -6.495 1.00 0.65 H new ATOM 0 H2'' DC A 8 3.718 15.108 -8.227 1.00 0.65 H new ATOM 0 HO3' DC A 8 5.829 16.331 -8.537 1.00 0.83 H new ATOM 0 H1' DC A 8 3.055 12.927 -8.189 1.00 0.54 H new ATOM 0 H41 DC A 8 1.659 11.812 -1.828 1.00 0.52 H new ATOM 0 H42 DC A 8 0.180 11.561 -2.761 1.00 0.52 H new ATOM 0 H5 DC A 8 3.740 12.497 -2.848 1.00 0.50 H new ATOM 0 H6 DC A 8 4.829 13.174 -4.926 1.00 0.50 H new TER 254 DC A 8 HETATM 255 C8' GPN B 9 -6.191 14.691 -5.497 1.00 0.62 C HETATM 256 C7' GPN B 9 -7.377 14.099 -6.260 1.00 0.58 C HETATM 257 O7' GPN B 9 -7.629 12.915 -6.155 1.00 0.56 O HETATM 258 C5' GPN B 9 -9.234 14.269 -7.845 1.00 0.67 C HETATM 259 C' GPN B 9 -8.901 13.083 -8.759 1.00 0.57 C HETATM 260 O1' GPN B 9 -8.679 13.251 -9.943 1.00 0.58 O HETATM 261 N4' GPN B 9 -8.114 14.865 -7.047 1.00 0.68 N HETATM 262 C3' GPN B 9 -7.838 16.333 -7.147 1.00 0.87 C HETATM 263 C2' GPN B 9 -8.476 17.054 -5.965 1.00 1.06 C HETATM 264 N1' GPN B 9 -9.574 17.616 -6.394 1.00 1.90 N HETATM 265 N9 GPN B 9 -5.313 13.776 -4.735 1.00 0.57 N HETATM 266 C8 GPN B 9 -5.505 13.219 -3.505 1.00 0.60 C HETATM 267 N7 GPN B 9 -4.498 12.538 -3.044 1.00 0.58 N HETATM 268 C5 GPN B 9 -3.548 12.645 -4.059 1.00 0.50 C HETATM 269 C6 GPN B 9 -2.233 12.113 -4.140 1.00 0.49 C HETATM 270 O6 GPN B 9 -1.620 11.451 -3.305 1.00 0.53 O HETATM 271 N1 GPN B 9 -1.618 12.460 -5.331 1.00 0.47 N HETATM 272 C2 GPN B 9 -2.192 13.212 -6.330 1.00 0.51 C HETATM 273 N2 GPN B 9 -1.455 13.406 -7.417 1.00 0.60 N HETATM 274 N3 GPN B 9 -3.424 13.716 -6.263 1.00 0.53 N HETATM 275 C4 GPN B 9 -4.043 13.396 -5.102 1.00 0.51 C HETATM 0 HN22 GPN B 9 -1.825 13.955 -8.193 1.00 0.60 H new HETATM 0 HN21 GPN B 9 -0.519 13.006 -7.476 1.00 0.60 H new HETATM 0 H8'2 GPN B 9 -5.569 15.226 -6.215 1.00 0.62 H new HETATM 0 H8'1 GPN B 9 -6.582 15.432 -4.800 1.00 0.62 H new HETATM 0 H5'2 GPN B 9 -9.664 15.058 -8.462 1.00 0.67 H new HETATM 0 H5'1 GPN B 9 -10.010 13.950 -7.149 1.00 0.67 H new HETATM 0 H3'2 GPN B 9 -6.763 16.511 -7.158 1.00 0.87 H new HETATM 0 H3'1 GPN B 9 -8.235 16.725 -8.083 1.00 0.87 H new HETATM 0 H2'2 GPN B 9 -8.694 16.352 -5.160 1.00 1.06 H new HETATM 0 H2'1 GPN B 9 -7.795 17.803 -5.560 1.00 1.06 H new HETATM 0 H1'3 GPN B 9 -10.027 18.109 -5.625 1.00 1.90 H new HETATM 0 H1'2 GPN B 9 -9.350 18.279 -7.136 1.00 1.90 H new HETATM 0 H1'1 GPN B 9 -10.204 16.900 -6.757 1.00 1.90 H new HETATM 0 HN1 GPN B 9 -0.664 12.132 -5.480 1.00 0.47 H new HETATM 0 H8 GPN B 9 -6.435 13.336 -2.949 1.00 0.60 H new HETATM 290 C8' CPN B 10 -5.224 10.292 -8.040 1.00 0.33 C HETATM 291 C7' CPN B 10 -5.561 9.375 -9.217 1.00 0.36 C HETATM 292 O7' CPN B 10 -4.958 8.336 -9.355 1.00 0.41 O HETATM 293 C5' CPN B 10 -6.773 8.817 -11.267 1.00 0.42 C HETATM 294 C' CPN B 10 -5.597 8.343 -12.136 1.00 0.42 C HETATM 295 O1' CPN B 10 -5.755 7.440 -12.936 1.00 0.47 O HETATM 296 N4' CPN B 10 -6.493 9.706 -10.087 1.00 0.38 N HETATM 297 C3' CPN B 10 -7.284 10.964 -9.916 1.00 0.41 C HETATM 298 C2' CPN B 10 -8.506 10.675 -9.031 1.00 0.46 C HETATM 299 N1' CPN B 10 -8.866 11.887 -8.223 1.00 0.52 N HETATM 300 N1 CPN B 10 -4.723 9.672 -6.797 1.00 0.31 N HETATM 301 C2 CPN B 10 -3.365 9.851 -6.458 1.00 0.30 C HETATM 302 N3 CPN B 10 -2.939 9.404 -5.233 1.00 0.31 N HETATM 303 C4 CPN B 10 -3.796 8.823 -4.386 1.00 0.34 C HETATM 304 C5 CPN B 10 -5.178 8.649 -4.735 1.00 0.38 C HETATM 305 C6 CPN B 10 -5.583 9.061 -5.947 1.00 0.36 C HETATM 306 O2 CPN B 10 -2.577 10.408 -7.240 1.00 0.40 O HETATM 307 N4 CPN B 10 -3.336 8.332 -3.235 1.00 0.42 N HETATM 0 HN42 CPN B 10 -3.977 7.886 -2.578 1.00 0.42 H new HETATM 0 HN41 CPN B 10 -2.343 8.402 -3.011 1.00 0.42 H new HETATM 0 H8'2 CPN B 10 -4.477 11.009 -8.379 1.00 0.33 H new HETATM 0 H8'1 CPN B 10 -6.121 10.859 -7.792 1.00 0.33 H new HETATM 0 H5'2 CPN B 10 -7.472 9.343 -11.917 1.00 0.42 H new HETATM 0 H5'1 CPN B 10 -7.287 7.930 -10.897 1.00 0.42 H new HETATM 0 H3'2 CPN B 10 -6.665 11.738 -9.461 1.00 0.41 H new HETATM 0 H3'1 CPN B 10 -7.604 11.341 -10.887 1.00 0.41 H new HETATM 0 H2'2 CPN B 10 -9.352 10.380 -9.653 1.00 0.46 H new HETATM 0 H2'1 CPN B 10 -8.292 9.838 -8.367 1.00 0.46 H new HETATM 0 H1'1 CPN B 10 -8.432 11.823 -7.302 1.00 0.52 H new HETATM 0 H6 CPN B 10 -6.618 8.902 -6.251 1.00 0.36 H new HETATM 0 H5 CPN B 10 -5.879 8.195 -4.035 1.00 0.38 H new HETATM 321 C8' TPN B 11 -1.156 7.705 -9.330 1.00 0.27 C HETATM 322 C7' TPN B 11 -1.081 6.764 -10.541 1.00 0.29 C HETATM 323 O7' TPN B 11 -0.690 5.633 -10.366 1.00 0.36 O HETATM 324 C5' TPN B 11 -1.260 6.205 -12.927 1.00 0.38 C HETATM 325 C' TPN B 11 0.072 5.448 -13.090 1.00 0.38 C HETATM 326 O1' TPN B 11 0.895 5.813 -13.908 1.00 0.42 O HETATM 327 N4' TPN B 11 -1.415 7.157 -11.764 1.00 0.31 N HETATM 328 C3' TPN B 11 -1.947 8.539 -12.015 1.00 0.36 C HETATM 329 C2' TPN B 11 -3.254 8.457 -12.827 1.00 0.43 C HETATM 330 N1' TPN B 11 -4.423 8.904 -11.993 1.00 0.39 N HETATM 331 N1 TPN B 11 -1.466 7.086 -8.031 1.00 0.25 N HETATM 332 C6 TPN B 11 -2.754 6.781 -7.718 1.00 0.28 C HETATM 333 C2 TPN B 11 -0.419 6.770 -7.184 1.00 0.25 C HETATM 334 O2 TPN B 11 0.753 7.007 -7.466 1.00 0.29 O HETATM 335 N3 TPN B 11 -0.765 6.130 -6.015 1.00 0.29 N HETATM 336 C4 TPN B 11 -2.040 5.783 -5.620 1.00 0.33 C HETATM 337 O4 TPN B 11 -2.227 5.237 -4.533 1.00 0.43 O HETATM 338 C5 TPN B 11 -3.069 6.147 -6.570 1.00 0.31 C HETATM 339 C5M TPN B 11 -4.516 5.738 -6.308 1.00 0.41 C HETATM 0 HM53 TPN B 11 -5.150 6.625 -6.306 1.00 0.41 H new HETATM 0 HM52 TPN B 11 -4.849 5.056 -7.090 1.00 0.41 H new HETATM 0 HM51 TPN B 11 -4.584 5.241 -5.340 1.00 0.41 H new HETATM 0 H8'2 TPN B 11 -0.201 8.222 -9.241 1.00 0.27 H new HETATM 0 H8'1 TPN B 11 -1.912 8.464 -9.535 1.00 0.27 H new HETATM 0 H5'2 TPN B 11 -1.433 6.771 -13.843 1.00 0.38 H new HETATM 0 H5'1 TPN B 11 -2.055 5.463 -12.855 1.00 0.38 H new HETATM 0 H3'2 TPN B 11 -2.128 9.046 -11.067 1.00 0.36 H new HETATM 0 H3'1 TPN B 11 -1.208 9.130 -12.557 1.00 0.36 H new HETATM 0 H2'2 TPN B 11 -3.175 9.081 -13.717 1.00 0.43 H new HETATM 0 H2'1 TPN B 11 -3.413 7.434 -13.168 1.00 0.43 H new HETATM 0 H1'2 TPN B 11 -5.278 8.843 -12.545 1.00 0.39 H new HETATM 0 HN3 TPN B 11 -0.004 5.889 -5.379 1.00 0.29 H new HETATM 0 H6 TPN B 11 -3.550 7.055 -8.411 1.00 0.28 H new HETATM 354 C8' APN B 12 2.452 4.904 -8.792 1.00 0.35 C HETATM 355 C7' APN B 12 3.613 4.355 -9.633 1.00 0.34 C HETATM 356 O7' APN B 12 4.756 4.663 -9.349 1.00 0.36 O HETATM 357 C5' APN B 12 4.522 3.097 -11.527 1.00 0.36 C HETATM 358 C' APN B 12 5.388 1.938 -11.030 1.00 0.31 C HETATM 359 O1' APN B 12 5.394 0.875 -11.624 1.00 0.34 O HETATM 360 N4' APN B 12 3.383 3.570 -10.674 1.00 0.34 N HETATM 361 C3' APN B 12 1.987 3.146 -11.012 1.00 0.38 C HETATM 362 C2' APN B 12 1.599 3.658 -12.412 1.00 0.44 C HETATM 363 N1' APN B 12 0.302 4.406 -12.329 1.00 0.39 N HETATM 364 N9 APN B 12 1.636 3.981 -7.967 1.00 0.33 N HETATM 365 C8 APN B 12 0.322 3.630 -8.109 1.00 0.36 C HETATM 366 N7 APN B 12 -0.146 2.861 -7.179 1.00 0.39 N HETATM 367 C5 APN B 12 0.946 2.683 -6.337 1.00 0.34 C HETATM 368 C6 APN B 12 1.113 1.966 -5.152 1.00 0.37 C HETATM 369 N6 APN B 12 0.147 1.226 -4.614 1.00 0.46 N HETATM 370 N1 APN B 12 2.322 2.002 -4.570 1.00 0.33 N HETATM 371 C2 APN B 12 3.312 2.701 -5.127 1.00 0.28 C HETATM 372 N3 APN B 12 3.264 3.410 -6.250 1.00 0.29 N HETATM 373 C4 APN B 12 2.038 3.358 -6.808 1.00 0.30 C HETATM 0 HN62 APN B 12 0.317 0.719 -3.745 1.00 0.46 H new HETATM 0 HN61 APN B 12 -0.763 1.166 -5.070 1.00 0.46 H new HETATM 0 H8'2 APN B 12 2.865 5.659 -8.123 1.00 0.35 H new HETATM 0 H8'1 APN B 12 1.773 5.418 -9.472 1.00 0.35 H new HETATM 0 H5'2 APN B 12 5.180 3.949 -11.700 1.00 0.36 H new HETATM 0 H5'1 APN B 12 4.111 2.810 -12.495 1.00 0.36 H new HETATM 0 H3'2 APN B 12 1.912 2.059 -10.981 1.00 0.38 H new HETATM 0 H3'1 APN B 12 1.291 3.535 -10.269 1.00 0.38 H new HETATM 0 H2'2 APN B 12 2.382 4.308 -12.803 1.00 0.44 H new HETATM 0 H2'1 APN B 12 1.505 2.821 -13.104 1.00 0.44 H new HETATM 0 H1'3 APN B 12 0.045 4.745 -13.256 1.00 0.39 H new HETATM 0 H8 APN B 12 -0.287 3.973 -8.945 1.00 0.36 H new HETATM 0 H2 APN B 12 4.267 2.689 -4.602 1.00 0.28 H new HETATM 387 C8' TPN B 13 5.881 0.758 -6.219 1.00 0.24 C HETATM 388 C7' TPN B 13 7.170 -0.067 -6.416 1.00 0.23 C HETATM 389 O7' TPN B 13 7.393 -1.018 -5.694 1.00 0.26 O HETATM 390 C5' TPN B 13 9.284 -0.546 -7.603 1.00 0.27 C HETATM 391 C' TPN B 13 9.249 -2.072 -7.465 1.00 0.24 C HETATM 392 O1' TPN B 13 10.298 -2.676 -7.364 1.00 0.27 O HETATM 393 N4' TPN B 13 8.037 0.260 -7.371 1.00 0.23 N HETATM 394 C3' TPN B 13 7.793 1.452 -8.236 1.00 0.24 C HETATM 395 C2' TPN B 13 7.039 1.016 -9.495 1.00 0.23 C HETATM 396 N1' TPN B 13 6.146 2.117 -9.979 1.00 0.26 N HETATM 397 N1 TPN B 13 4.626 0.062 -5.867 1.00 0.24 N HETATM 398 C6 TPN B 13 3.564 0.093 -6.725 1.00 0.26 C HETATM 399 C2 TPN B 13 4.577 -0.650 -4.682 1.00 0.28 C HETATM 400 O2 TPN B 13 5.445 -0.553 -3.820 1.00 0.31 O HETATM 401 N3 TPN B 13 3.409 -1.347 -4.452 1.00 0.32 N HETATM 402 C4 TPN B 13 2.301 -1.382 -5.274 1.00 0.33 C HETATM 403 O4 TPN B 13 1.309 -2.029 -4.954 1.00 0.38 O HETATM 404 C5 TPN B 13 2.437 -0.592 -6.474 1.00 0.30 C HETATM 405 C5M TPN B 13 1.293 -0.541 -7.482 1.00 0.34 C HETATM 0 HM53 TPN B 13 0.961 0.490 -7.604 1.00 0.34 H new HETATM 0 HM52 TPN B 13 1.636 -0.928 -8.442 1.00 0.34 H new HETATM 0 HM51 TPN B 13 0.463 -1.149 -7.122 1.00 0.34 H new HETATM 0 H8'2 TPN B 13 6.078 1.493 -5.439 1.00 0.24 H new HETATM 0 H8'1 TPN B 13 5.702 1.311 -7.141 1.00 0.24 H new HETATM 0 H5'2 TPN B 13 10.042 -0.176 -6.913 1.00 0.27 H new HETATM 0 H5'1 TPN B 13 9.633 -0.320 -8.611 1.00 0.27 H new HETATM 0 H3'2 TPN B 13 7.215 2.199 -7.692 1.00 0.24 H new HETATM 0 H3'1 TPN B 13 8.740 1.918 -8.508 1.00 0.24 H new HETATM 0 H2'2 TPN B 13 7.749 0.746 -10.276 1.00 0.23 H new HETATM 0 H2'1 TPN B 13 6.446 0.126 -9.281 1.00 0.23 H new HETATM 0 H1'3 TPN B 13 5.193 1.765 -10.075 1.00 0.26 H new HETATM 0 H1'2 TPN B 13 6.158 2.885 -9.308 1.00 0.26 H new HETATM 0 HN3 TPN B 13 3.359 -1.890 -3.590 1.00 0.32 H new HETATM 0 H6 TPN B 13 3.633 0.688 -7.636 1.00 0.26 H new HETATM 420 C8' GPN B 14 5.763 -4.801 -4.771 1.00 0.22 C HETATM 421 C7' GPN B 14 6.667 -6.021 -5.000 1.00 0.23 C HETATM 422 O7' GPN B 14 6.260 -7.138 -4.747 1.00 0.27 O HETATM 423 C5' GPN B 14 8.828 -7.011 -5.599 1.00 0.35 C HETATM 424 C' GPN B 14 8.775 -8.128 -4.548 1.00 0.36 C HETATM 425 O1' GPN B 14 9.210 -7.966 -3.423 1.00 0.40 O HETATM 426 N4' GPN B 14 7.898 -5.848 -5.443 1.00 0.26 N HETATM 427 C3' GPN B 14 8.376 -4.482 -5.794 1.00 0.25 C HETATM 428 C2' GPN B 14 8.108 -4.203 -7.276 1.00 0.26 C HETATM 429 N1' GPN B 14 8.116 -2.725 -7.455 1.00 0.24 N HETATM 430 N9 GPN B 14 4.305 -4.964 -4.814 1.00 0.23 N HETATM 431 C8 GPN B 14 3.444 -4.599 -5.794 1.00 0.26 C HETATM 432 N7 GPN B 14 2.201 -4.912 -5.584 1.00 0.28 N HETATM 433 C5 GPN B 14 2.236 -5.515 -4.326 1.00 0.24 C HETATM 434 C6 GPN B 14 1.181 -6.053 -3.543 1.00 0.29 C HETATM 435 O6 GPN B 14 -0.014 -6.115 -3.810 1.00 0.33 O HETATM 436 N1 GPN B 14 1.648 -6.551 -2.337 1.00 0.28 N HETATM 437 C2 GPN B 14 2.964 -6.541 -1.931 1.00 0.24 C HETATM 438 N2 GPN B 14 3.211 -7.012 -0.716 1.00 0.32 N HETATM 439 N3 GPN B 14 3.960 -6.044 -2.664 1.00 0.21 N HETATM 440 C4 GPN B 14 3.525 -5.546 -3.845 1.00 0.21 C HETATM 0 HN22 GPN B 14 4.167 -7.030 -0.361 1.00 0.32 H new HETATM 0 HN21 GPN B 14 2.445 -7.356 -0.137 1.00 0.32 H new HETATM 0 H8'2 GPN B 14 6.017 -4.385 -3.796 1.00 0.22 H new HETATM 0 H8'1 GPN B 14 6.030 -4.052 -5.516 1.00 0.22 H new HETATM 0 H5'2 GPN B 14 9.846 -6.622 -5.621 1.00 0.35 H new HETATM 0 H5'1 GPN B 14 8.638 -7.461 -6.573 1.00 0.35 H new HETATM 0 H3'2 GPN B 14 7.869 -3.740 -5.177 1.00 0.25 H new HETATM 0 H3'1 GPN B 14 9.442 -4.395 -5.585 1.00 0.25 H new HETATM 0 H2'2 GPN B 14 8.871 -4.670 -7.899 1.00 0.26 H new HETATM 0 H2'1 GPN B 14 7.148 -4.622 -7.579 1.00 0.26 H new HETATM 0 H1'3 GPN B 14 7.940 -2.500 -8.434 1.00 0.24 H new HETATM 0 HN1 GPN B 14 0.963 -6.957 -1.700 1.00 0.28 H new HETATM 0 H8 GPN B 14 3.771 -4.080 -6.695 1.00 0.26 H new HETATM 454 C8' TPN B 15 4.328 -9.344 -3.239 1.00 0.28 C HETATM 455 C7' TPN B 15 4.771 -10.787 -3.004 1.00 0.29 C HETATM 456 O7' TPN B 15 3.935 -11.667 -2.978 1.00 0.31 O HETATM 457 C5' TPN B 15 6.430 -12.486 -2.413 1.00 0.36 C HETATM 458 C' TPN B 15 5.570 -13.238 -1.376 1.00 0.32 C HETATM 459 O1' TPN B 15 5.763 -14.415 -1.142 1.00 0.35 O HETATM 460 N4' TPN B 15 6.033 -11.077 -2.763 1.00 0.32 N HETATM 461 C3' TPN B 15 7.079 -10.010 -2.835 1.00 0.35 C HETATM 462 C2' TPN B 15 8.104 -10.386 -3.914 1.00 0.43 C HETATM 463 N1' TPN B 15 8.223 -9.263 -4.893 1.00 0.38 N HETATM 464 N1 TPN B 15 3.038 -9.131 -3.901 1.00 0.26 N HETATM 465 C6 TPN B 15 3.007 -8.728 -5.196 1.00 0.28 C HETATM 466 C2 TPN B 15 1.883 -9.457 -3.206 1.00 0.27 C HETATM 467 O2 TPN B 15 1.889 -9.755 -2.014 1.00 0.29 O HETATM 468 N3 TPN B 15 0.710 -9.380 -3.923 1.00 0.27 N HETATM 469 C4 TPN B 15 0.588 -8.996 -5.245 1.00 0.30 C HETATM 470 O4 TPN B 15 -0.510 -8.999 -5.791 1.00 0.36 O HETATM 471 C5 TPN B 15 1.846 -8.650 -5.877 1.00 0.31 C HETATM 472 C5M TPN B 15 1.859 -8.204 -7.337 1.00 0.39 C HETATM 0 HM53 TPN B 15 2.279 -7.200 -7.407 1.00 0.39 H new HETATM 0 HM52 TPN B 15 2.467 -8.893 -7.923 1.00 0.39 H new HETATM 0 HM51 TPN B 15 0.840 -8.199 -7.725 1.00 0.39 H new HETATM 0 H8'2 TPN B 15 4.297 -8.840 -2.273 1.00 0.28 H new HETATM 0 H8'1 TPN B 15 5.096 -8.849 -3.833 1.00 0.28 H new HETATM 0 H5'2 TPN B 15 7.456 -12.464 -2.045 1.00 0.36 H new HETATM 0 H5'1 TPN B 15 6.434 -13.071 -3.333 1.00 0.36 H new HETATM 0 H3'2 TPN B 15 6.621 -9.049 -3.070 1.00 0.35 H new HETATM 0 H3'1 TPN B 15 7.572 -9.901 -1.869 1.00 0.35 H new HETATM 0 H2'2 TPN B 15 9.072 -10.590 -3.457 1.00 0.43 H new HETATM 0 H2'1 TPN B 15 7.794 -11.298 -4.425 1.00 0.43 H new HETATM 0 H1'3 TPN B 15 8.903 -9.509 -5.612 1.00 0.38 H new HETATM 0 HN3 TPN B 15 -0.149 -9.630 -3.433 1.00 0.27 H new HETATM 0 H6 TPN B 15 3.939 -8.462 -5.696 1.00 0.28 H new HETATM 487 C8' CPN B 16 1.288 -13.693 -1.746 1.00 0.38 C HETATM 488 C7' CPN B 16 0.724 -13.820 -0.313 1.00 0.31 C HETATM 489 O7' CPN B 16 -0.259 -14.508 -0.111 1.00 0.44 O HETATM 490 C5' CPN B 16 0.675 -13.300 2.076 1.00 0.46 C HETATM 491 C' CPN B 16 -0.122 -12.104 2.603 1.00 0.52 C HETATM 492 O1' CPN B 16 -1.332 -12.160 2.701 1.00 0.57 O HETATM 493 N4' CPN B 16 1.288 -13.188 0.713 1.00 0.29 N HETATM 494 C3' CPN B 16 2.529 -12.356 0.548 1.00 0.31 C HETATM 495 C2' CPN B 16 3.724 -13.262 0.241 1.00 0.30 C HETATM 496 N1' CPN B 16 4.623 -12.581 -0.747 1.00 0.28 N HETATM 497 N1 CPN B 16 0.469 -13.122 -2.857 1.00 0.34 N HETATM 498 C2 CPN B 16 -0.942 -13.301 -2.858 1.00 0.37 C HETATM 499 N3 CPN B 16 -1.628 -13.011 -4.005 1.00 0.42 N HETATM 500 C4 CPN B 16 -0.998 -12.537 -5.083 1.00 0.41 C HETATM 501 C5 CPN B 16 0.408 -12.296 -5.071 1.00 0.47 C HETATM 502 C6 CPN B 16 1.097 -12.604 -3.956 1.00 0.45 C HETATM 503 O2 CPN B 16 -1.564 -13.584 -1.828 1.00 0.52 O HETATM 504 N4 CPN B 16 -1.689 -12.346 -6.203 1.00 0.52 N HETATM 0 HN42 CPN B 16 -1.222 -11.985 -7.035 1.00 0.52 H new HETATM 0 HN41 CPN B 16 -2.686 -12.561 -6.230 1.00 0.52 H new HETATM 0 H8'2 CPN B 16 2.194 -13.091 -1.678 1.00 0.38 H new HETATM 0 H8'1 CPN B 16 1.592 -14.692 -2.057 1.00 0.38 H new HETATM 0 H5'2 CPN B 16 1.475 -13.508 2.786 1.00 0.46 H new HETATM 0 H5'1 CPN B 16 0.015 -14.168 2.076 1.00 0.46 H new HETATM 0 H3'2 CPN B 16 2.390 -11.636 -0.258 1.00 0.31 H new HETATM 0 H3'1 CPN B 16 2.718 -11.785 1.457 1.00 0.31 H new HETATM 0 H2'2 CPN B 16 4.272 -13.482 1.157 1.00 0.30 H new HETATM 0 H2'1 CPN B 16 3.379 -14.215 -0.161 1.00 0.30 H new HETATM 0 H1'2 CPN B 16 4.347 -12.841 -1.694 1.00 0.28 H new HETATM 0 H6 CPN B 16 2.174 -12.438 -3.929 1.00 0.45 H new HETATM 0 H5 CPN B 16 0.911 -11.874 -5.941 1.00 0.47 H new HETATM 518 N NH2 B 17 -1.018 -11.303 2.090 1.00 0.58 N TER 521 NH2 B 17