USER MOD reduce.3.24.130724 H: found=0, std=0, add=201, rem=0, adj=4 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 10 CPN C2' :...(NH2R) USER MOD NoAdj-H: B 10 CPNH1'2 : B 10 CPN N1' : B 10 CPN C2' :...(NH2R) USER MOD NoAdj-H: B 11 TPNH1'2 : 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 APNH1'3 : 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 TPNH1'2 : B 13 TPN N1' : B 12 APN C' :...(NH2R) USER MOD NoAdj-H: B 13 TPNH1'1 : B 13 TPN N1' : B 12 APN C' :...(NH2R) USER MOD NoAdj-H: B 14 GPNH1'3 : B 14 GPN N1' : B 13 TPN C' :...(NH2R) USER MOD NoAdj-H: B 14 GPNH1'2 : B 14 GPN N1' : B 13 TPN C' :...(NH2R) USER MOD NoAdj-H: B 15 TPNH1'3 : B 15 TPN N1' : B 15 TPN C2' :...(NH2R) USER MOD NoAdj-H: B 15 TPNH1'2 : B 15 TPN N1' : B 15 TPN C2' :...(NH2R) USER MOD NoAdj-H: B 16 CPNH1'3 : 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= -0.64 (180deg=-0.64) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 GPN N1' :NH3+ -167:sc= -0.0496 (180deg=-0.347) USER MOD Single : B 10 CPN N1' :NH3+ 180:sc= -0.0982 (180deg=-0.0982) USER MOD Single : B 11 TPN N1' :NH3+ 180:sc= -0.0075 (180deg=-0.0075) USER MOD Single : B 12 APN N1' :NH3+ 180:sc= -1.35 (180deg=-1.35) USER MOD Single : B 13 TPN N1' :NH3+ 180:sc= -0.0318 (180deg=-0.0318) USER MOD Single : B 14 GPN N1' :NH3+ 180:sc= -0.797 (180deg=-0.797) USER MOD Single : B 15 TPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 CPN N1' :NH3+ -95:sc= 0.232 (180deg=-1.83) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -13.336 -10.764 -3.236 1.00 0.94 O ATOM 2 C5' DG A 1 -12.164 -11.530 -3.526 1.00 0.85 C ATOM 3 C4' DG A 1 -11.280 -11.688 -2.291 1.00 0.71 C ATOM 4 O4' DG A 1 -10.105 -12.481 -2.597 1.00 0.66 O ATOM 5 C3' DG A 1 -10.811 -10.328 -1.778 1.00 0.69 C ATOM 6 O3' DG A 1 -11.158 -10.161 -0.397 1.00 0.73 O ATOM 7 C2' DG A 1 -9.313 -10.327 -1.981 1.00 0.63 C ATOM 8 C1' DG A 1 -8.917 -11.775 -2.186 1.00 0.58 C ATOM 9 N9 DG A 1 -7.844 -11.896 -3.192 1.00 0.60 N ATOM 10 C8 DG A 1 -7.918 -11.798 -4.552 1.00 0.72 C ATOM 11 N7 DG A 1 -6.779 -11.861 -5.174 1.00 0.73 N ATOM 12 C5 DG A 1 -5.862 -12.027 -4.139 1.00 0.57 C ATOM 13 C6 DG A 1 -4.449 -12.165 -4.186 1.00 0.53 C ATOM 14 O6 DG A 1 -3.711 -12.152 -5.168 1.00 0.61 O ATOM 15 N1 DG A 1 -3.910 -12.310 -2.918 1.00 0.41 N ATOM 16 C2 DG A 1 -4.635 -12.324 -1.746 1.00 0.38 C ATOM 17 N2 DG A 1 -3.940 -12.423 -0.620 1.00 0.39 N ATOM 18 N3 DG A 1 -5.960 -12.200 -1.695 1.00 0.42 N ATOM 19 C4 DG A 1 -6.506 -12.054 -2.924 1.00 0.50 C ATOM 0 H5' DG A 1 -11.598 -11.044 -4.321 1.00 0.85 H new ATOM 0 H5'' DG A 1 -12.453 -12.514 -3.896 1.00 0.85 H new ATOM 0 H4' DG A 1 -11.880 -12.186 -1.529 1.00 0.71 H new ATOM 0 H3' DG A 1 -11.284 -9.500 -2.306 1.00 0.69 H new ATOM 0 H2' DG A 1 -9.037 -9.721 -2.844 1.00 0.63 H new ATOM 0 H2'' DG A 1 -8.803 -9.902 -1.117 1.00 0.63 H new ATOM 0 HO5' DG A 1 -13.880 -10.679 -4.047 1.00 0.94 H new ATOM 0 H1' DG A 1 -8.520 -12.201 -1.264 1.00 0.58 H new ATOM 0 H8 DG A 1 -8.856 -11.677 -5.073 1.00 0.72 H new ATOM 0 H1 DG A 1 -2.898 -12.415 -2.846 1.00 0.41 H new ATOM 0 H21 DG A 1 -4.423 -12.438 0.278 1.00 0.39 H new ATOM 0 H22 DG A 1 -2.922 -12.484 -0.653 1.00 0.39 H new ATOM 32 P DA A 2 -10.550 -8.946 0.474 1.00 0.78 P ATOM 33 OP1 DA A 2 -11.285 -8.883 1.757 1.00 0.93 O ATOM 34 OP2 DA A 2 -10.469 -7.747 -0.390 1.00 0.86 O ATOM 35 O5' DA A 2 -9.049 -9.451 0.776 1.00 0.64 O ATOM 36 C5' DA A 2 -8.795 -10.429 1.794 1.00 0.58 C ATOM 37 C4' DA A 2 -7.364 -10.337 2.321 1.00 0.45 C ATOM 38 O4' DA A 2 -6.411 -10.730 1.310 1.00 0.44 O ATOM 39 C3' DA A 2 -7.036 -8.911 2.746 1.00 0.43 C ATOM 40 O3' DA A 2 -6.828 -8.827 4.161 1.00 0.47 O ATOM 41 C2' DA A 2 -5.788 -8.536 1.985 1.00 0.41 C ATOM 42 C1' DA A 2 -5.321 -9.790 1.284 1.00 0.38 C ATOM 43 N9 DA A 2 -4.901 -9.502 -0.098 1.00 0.39 N ATOM 44 C8 DA A 2 -5.667 -9.262 -1.202 1.00 0.47 C ATOM 45 N7 DA A 2 -5.001 -9.109 -2.310 1.00 0.50 N ATOM 46 C5 DA A 2 -3.677 -9.258 -1.900 1.00 0.42 C ATOM 47 C6 DA A 2 -2.461 -9.213 -2.587 1.00 0.43 C ATOM 48 N6 DA A 2 -2.372 -9.039 -3.905 1.00 0.55 N ATOM 49 N1 DA A 2 -1.340 -9.399 -1.872 1.00 0.40 N ATOM 50 C2 DA A 2 -1.406 -9.622 -0.560 1.00 0.36 C ATOM 51 N3 DA A 2 -2.501 -9.687 0.184 1.00 0.34 N ATOM 52 C4 DA A 2 -3.610 -9.494 -0.557 1.00 0.36 C ATOM 0 H5' DA A 2 -8.971 -11.427 1.392 1.00 0.58 H new ATOM 0 H5'' DA A 2 -9.496 -10.288 2.617 1.00 0.58 H new ATOM 0 H4' DA A 2 -7.296 -11.010 3.176 1.00 0.45 H new ATOM 0 H3' DA A 2 -7.857 -8.229 2.524 1.00 0.43 H new ATOM 0 H2' DA A 2 -5.995 -7.744 1.266 1.00 0.41 H new ATOM 0 H2'' DA A 2 -5.020 -8.160 2.661 1.00 0.41 H new ATOM 0 H1' DA A 2 -4.451 -10.205 1.792 1.00 0.38 H new ATOM 0 H8 DA A 2 -6.745 -9.203 -1.159 1.00 0.47 H new ATOM 0 H61 DA A 2 -1.457 -9.014 -4.356 1.00 0.55 H new ATOM 0 H62 DA A 2 -3.219 -8.931 -4.463 1.00 0.55 H new ATOM 0 H2 DA A 2 -0.466 -9.765 -0.048 1.00 0.36 H new ATOM 64 P DC A 3 -6.397 -7.434 4.851 1.00 0.56 P ATOM 65 OP1 DC A 3 -6.544 -7.581 6.317 1.00 0.73 O ATOM 66 OP2 DC A 3 -7.091 -6.331 4.147 1.00 0.69 O ATOM 67 O5' DC A 3 -4.823 -7.340 4.505 1.00 0.38 O ATOM 68 C5' DC A 3 -3.862 -8.090 5.258 1.00 0.36 C ATOM 69 C4' DC A 3 -2.431 -7.645 4.962 1.00 0.30 C ATOM 70 O4' DC A 3 -2.060 -7.949 3.600 1.00 0.30 O ATOM 71 C3' DC A 3 -2.270 -6.143 5.171 1.00 0.27 C ATOM 72 O3' DC A 3 -1.448 -5.867 6.313 1.00 0.36 O ATOM 73 C2' DC A 3 -1.634 -5.626 3.902 1.00 0.25 C ATOM 74 C1' DC A 3 -1.347 -6.838 3.032 1.00 0.25 C ATOM 75 N1 DC A 3 -1.752 -6.621 1.628 1.00 0.25 N ATOM 76 C2 DC A 3 -0.743 -6.558 0.680 1.00 0.27 C ATOM 77 O2 DC A 3 0.433 -6.638 1.022 1.00 0.31 O ATOM 78 N3 DC A 3 -1.086 -6.353 -0.616 1.00 0.28 N ATOM 79 C4 DC A 3 -2.361 -6.194 -0.973 1.00 0.30 C ATOM 80 N4 DC A 3 -2.657 -6.070 -2.266 1.00 0.36 N ATOM 81 C5 DC A 3 -3.408 -6.230 0.001 1.00 0.32 C ATOM 82 C6 DC A 3 -3.063 -6.464 1.283 1.00 0.28 C ATOM 0 H5' DC A 3 -3.967 -9.150 5.027 1.00 0.36 H new ATOM 0 H5'' DC A 3 -4.065 -7.974 6.323 1.00 0.36 H new ATOM 0 H4' DC A 3 -1.785 -8.189 5.651 1.00 0.30 H new ATOM 0 H3' DC A 3 -3.227 -5.658 5.365 1.00 0.27 H new ATOM 0 H2' DC A 3 -2.300 -4.931 3.390 1.00 0.25 H new ATOM 0 H2'' DC A 3 -0.716 -5.082 4.123 1.00 0.25 H new ATOM 0 H1' DC A 3 -0.274 -7.030 3.012 1.00 0.25 H new ATOM 0 H41 DC A 3 -3.627 -5.948 -2.558 1.00 0.36 H new ATOM 0 H42 DC A 3 -1.914 -6.097 -2.964 1.00 0.36 H new ATOM 0 H5 DC A 3 -4.439 -6.075 -0.281 1.00 0.32 H new ATOM 0 H6 DC A 3 -3.829 -6.528 2.042 1.00 0.28 H new ATOM 94 P DA A 4 -0.919 -4.374 6.613 1.00 0.43 P ATOM 95 OP1 DA A 4 -0.249 -4.375 7.932 1.00 0.58 O ATOM 96 OP2 DA A 4 -2.024 -3.425 6.349 1.00 0.48 O ATOM 97 O5' DA A 4 0.206 -4.164 5.475 1.00 0.38 O ATOM 98 C5' DA A 4 1.525 -4.700 5.641 1.00 0.36 C ATOM 99 C4' DA A 4 2.528 -4.050 4.688 1.00 0.29 C ATOM 100 O4' DA A 4 2.255 -4.415 3.313 1.00 0.29 O ATOM 101 C3' DA A 4 2.471 -2.528 4.793 1.00 0.28 C ATOM 102 O3' DA A 4 3.727 -1.995 5.236 1.00 0.27 O ATOM 103 C2' DA A 4 2.121 -2.050 3.405 1.00 0.27 C ATOM 104 C1' DA A 4 2.307 -3.237 2.486 1.00 0.26 C ATOM 105 N9 DA A 4 1.260 -3.247 1.454 1.00 0.27 N ATOM 106 C8 DA A 4 -0.084 -3.344 1.610 1.00 0.30 C ATOM 107 N7 DA A 4 -0.778 -3.272 0.513 1.00 0.32 N ATOM 108 C5 DA A 4 0.203 -3.081 -0.459 1.00 0.30 C ATOM 109 C6 DA A 4 0.147 -2.906 -1.846 1.00 0.34 C ATOM 110 N6 DA A 4 -0.993 -2.882 -2.537 1.00 0.42 N ATOM 111 N1 DA A 4 1.311 -2.739 -2.493 1.00 0.35 N ATOM 112 C2 DA A 4 2.462 -2.740 -1.821 1.00 0.33 C ATOM 113 N3 DA A 4 2.626 -2.900 -0.515 1.00 0.30 N ATOM 114 C4 DA A 4 1.446 -3.065 0.109 1.00 0.27 C ATOM 0 H5' DA A 4 1.504 -5.776 5.468 1.00 0.36 H new ATOM 0 H5'' DA A 4 1.851 -4.549 6.670 1.00 0.36 H new ATOM 0 H4' DA A 4 3.516 -4.408 4.976 1.00 0.29 H new ATOM 0 H3' DA A 4 1.736 -2.195 5.526 1.00 0.28 H new ATOM 0 H2' DA A 4 1.094 -1.686 3.367 1.00 0.27 H new ATOM 0 H2'' DA A 4 2.764 -1.222 3.106 1.00 0.27 H new ATOM 0 H1' DA A 4 3.261 -3.193 1.961 1.00 0.26 H new ATOM 0 H8 DA A 4 -0.545 -3.472 2.578 1.00 0.30 H new ATOM 0 H61 DA A 4 -0.974 -2.751 -3.548 1.00 0.42 H new ATOM 0 H62 DA A 4 -1.884 -2.995 -2.054 1.00 0.42 H new ATOM 0 H2 DA A 4 3.359 -2.595 -2.404 1.00 0.33 H new ATOM 126 P DT A 5 4.056 -0.420 5.122 1.00 0.26 P ATOM 127 OP1 DT A 5 5.229 -0.125 5.974 1.00 0.31 O ATOM 128 OP2 DT A 5 2.796 0.335 5.314 1.00 0.32 O ATOM 129 O5' DT A 5 4.500 -0.275 3.577 1.00 0.25 O ATOM 130 C5' DT A 5 5.564 -1.079 3.054 1.00 0.24 C ATOM 131 C4' DT A 5 6.100 -0.542 1.729 1.00 0.24 C ATOM 132 O4' DT A 5 5.220 -0.877 0.631 1.00 0.26 O ATOM 133 C3' DT A 5 6.250 0.979 1.763 1.00 0.25 C ATOM 134 O3' DT A 5 7.626 1.358 1.574 1.00 0.25 O ATOM 135 C2' DT A 5 5.381 1.474 0.634 1.00 0.26 C ATOM 136 C1' DT A 5 5.114 0.262 -0.233 1.00 0.25 C ATOM 137 N1 DT A 5 3.799 0.335 -0.886 1.00 0.27 N ATOM 138 C2 DT A 5 3.782 0.612 -2.241 1.00 0.28 C ATOM 139 O2 DT A 5 4.810 0.815 -2.882 1.00 0.36 O ATOM 140 N3 DT A 5 2.541 0.690 -2.830 1.00 0.31 N ATOM 141 C4 DT A 5 1.329 0.520 -2.193 1.00 0.33 C ATOM 142 O4 DT A 5 0.279 0.592 -2.826 1.00 0.42 O ATOM 143 C5 DT A 5 1.444 0.243 -0.775 1.00 0.30 C ATOM 144 C7 DT A 5 0.191 0.121 0.077 1.00 0.34 C ATOM 145 C6 DT A 5 2.646 0.153 -0.180 1.00 0.27 C ATOM 0 H5' DT A 5 5.209 -2.100 2.913 1.00 0.24 H new ATOM 0 H5'' DT A 5 6.375 -1.121 3.781 1.00 0.24 H new ATOM 0 H4' DT A 5 7.074 -1.008 1.581 1.00 0.24 H new ATOM 0 H3' DT A 5 5.951 1.407 2.720 1.00 0.25 H new ATOM 0 H2' DT A 5 4.451 1.899 1.012 1.00 0.26 H new ATOM 0 H2'' DT A 5 5.883 2.259 0.068 1.00 0.26 H new ATOM 0 H1' DT A 5 5.833 0.200 -1.050 1.00 0.25 H new ATOM 0 H3 DT A 5 2.515 0.892 -3.829 1.00 0.31 H new ATOM 0 H71 DT A 5 0.377 -0.567 0.901 1.00 0.34 H new ATOM 0 H72 DT A 5 -0.075 1.100 0.475 1.00 0.34 H new ATOM 0 H73 DT A 5 -0.629 -0.257 -0.534 1.00 0.34 H new ATOM 0 H6 DT A 5 2.700 -0.067 0.876 1.00 0.27 H new ATOM 158 P DA A 6 8.082 2.907 1.487 1.00 0.28 P ATOM 159 OP1 DA A 6 9.014 3.173 2.606 1.00 0.36 O ATOM 160 OP2 DA A 6 6.871 3.745 1.325 1.00 0.33 O ATOM 161 O5' DA A 6 8.927 2.958 0.107 1.00 0.31 O ATOM 162 C5' DA A 6 8.288 2.783 -1.168 1.00 0.31 C ATOM 163 C4' DA A 6 8.140 4.103 -1.926 1.00 0.31 C ATOM 164 O4' DA A 6 7.250 3.940 -3.052 1.00 0.31 O ATOM 165 C3' DA A 6 7.569 5.200 -1.035 1.00 0.30 C ATOM 166 O3' DA A 6 8.587 6.136 -0.654 1.00 0.37 O ATOM 167 C2' DA A 6 6.483 5.857 -1.844 1.00 0.28 C ATOM 168 C1' DA A 6 6.309 5.032 -3.104 1.00 0.27 C ATOM 169 N9 DA A 6 4.921 4.536 -3.204 1.00 0.25 N ATOM 170 C8 DA A 6 4.232 3.743 -2.332 1.00 0.27 C ATOM 171 N7 DA A 6 2.966 3.613 -2.589 1.00 0.31 N ATOM 172 C5 DA A 6 2.799 4.374 -3.742 1.00 0.28 C ATOM 173 C6 DA A 6 1.686 4.650 -4.538 1.00 0.30 C ATOM 174 N6 DA A 6 0.466 4.192 -4.271 1.00 0.36 N ATOM 175 N1 DA A 6 1.872 5.436 -5.609 1.00 0.30 N ATOM 176 C2 DA A 6 3.079 5.923 -5.885 1.00 0.29 C ATOM 177 N3 DA A 6 4.200 5.726 -5.198 1.00 0.28 N ATOM 178 C4 DA A 6 3.984 4.933 -4.129 1.00 0.25 C ATOM 0 H5' DA A 6 7.304 2.338 -1.021 1.00 0.31 H new ATOM 0 H5'' DA A 6 8.868 2.083 -1.770 1.00 0.31 H new ATOM 0 H4' DA A 6 9.137 4.389 -2.261 1.00 0.31 H new ATOM 0 H3' DA A 6 7.174 4.798 -0.102 1.00 0.30 H new ATOM 0 H2' DA A 6 5.552 5.898 -1.278 1.00 0.28 H new ATOM 0 H2'' DA A 6 6.753 6.884 -2.090 1.00 0.28 H new ATOM 0 H1' DA A 6 6.500 5.639 -3.989 1.00 0.27 H new ATOM 0 H8 DA A 6 4.705 3.259 -1.490 1.00 0.27 H new ATOM 0 H61 DA A 6 -0.312 4.425 -4.888 1.00 0.36 H new ATOM 0 H62 DA A 6 0.309 3.608 -3.450 1.00 0.36 H new ATOM 0 H2 DA A 6 3.157 6.547 -6.763 1.00 0.29 H new ATOM 190 P DG A 7 8.208 7.568 -0.016 1.00 0.42 P ATOM 191 OP1 DG A 7 9.452 8.202 0.474 1.00 0.53 O ATOM 192 OP2 DG A 7 7.062 7.382 0.903 1.00 0.43 O ATOM 193 O5' DG A 7 7.691 8.392 -1.302 1.00 0.38 O ATOM 194 C5' DG A 7 8.605 8.771 -2.337 1.00 0.39 C ATOM 195 C4' DG A 7 7.917 9.571 -3.440 1.00 0.35 C ATOM 196 O4' DG A 7 6.961 8.762 -4.159 1.00 0.35 O ATOM 197 C3' DG A 7 7.160 10.759 -2.863 1.00 0.38 C ATOM 198 O3' DG A 7 7.915 11.979 -2.955 1.00 0.47 O ATOM 199 C2' DG A 7 5.885 10.839 -3.661 1.00 0.37 C ATOM 200 C1' DG A 7 5.790 9.555 -4.458 1.00 0.33 C ATOM 201 N9 DG A 7 4.556 8.862 -4.084 1.00 0.27 N ATOM 202 C8 DG A 7 4.254 8.247 -2.907 1.00 0.25 C ATOM 203 N7 DG A 7 3.007 7.904 -2.768 1.00 0.27 N ATOM 204 C5 DG A 7 2.424 8.350 -3.954 1.00 0.23 C ATOM 205 C6 DG A 7 1.074 8.283 -4.394 1.00 0.26 C ATOM 206 O6 DG A 7 0.103 7.804 -3.814 1.00 0.34 O ATOM 207 N1 DG A 7 0.920 8.861 -5.644 1.00 0.28 N ATOM 208 C2 DG A 7 1.935 9.423 -6.388 1.00 0.33 C ATOM 209 N2 DG A 7 1.588 9.975 -7.542 1.00 0.44 N ATOM 210 N3 DG A 7 3.200 9.479 -5.985 1.00 0.35 N ATOM 211 C4 DG A 7 3.370 8.931 -4.763 1.00 0.26 C ATOM 0 H5' DG A 7 9.058 7.877 -2.766 1.00 0.39 H new ATOM 0 H5'' DG A 7 9.413 9.364 -1.908 1.00 0.39 H new ATOM 0 H4' DG A 7 8.706 9.909 -4.112 1.00 0.35 H new ATOM 0 H3' DG A 7 6.967 10.626 -1.798 1.00 0.38 H new ATOM 0 H2' DG A 7 5.023 10.951 -3.003 1.00 0.37 H new ATOM 0 H2'' DG A 7 5.896 11.705 -4.322 1.00 0.37 H new ATOM 0 H1' DG A 7 5.758 9.744 -5.531 1.00 0.33 H new ATOM 0 H8 DG A 7 4.996 8.058 -2.145 1.00 0.25 H new ATOM 0 H1 DG A 7 -0.018 8.871 -6.045 1.00 0.28 H new ATOM 0 H21 DG A 7 2.297 10.406 -8.135 1.00 0.44 H new ATOM 0 H22 DG A 7 0.612 9.969 -7.837 1.00 0.44 H new ATOM 223 P DC A 8 8.287 12.645 -4.382 1.00 0.50 P ATOM 224 OP1 DC A 8 8.904 11.605 -5.236 1.00 0.56 O ATOM 225 OP2 DC A 8 9.014 13.906 -4.122 1.00 0.66 O ATOM 226 O5' DC A 8 6.846 13.019 -5.005 1.00 0.59 O ATOM 227 C5' DC A 8 6.729 13.389 -6.386 1.00 0.80 C ATOM 228 C4' DC A 8 5.353 13.965 -6.714 1.00 0.90 C ATOM 229 O4' DC A 8 4.312 13.003 -6.465 1.00 0.75 O ATOM 230 C3' DC A 8 5.057 15.200 -5.875 1.00 1.01 C ATOM 231 O3' DC A 8 5.217 16.399 -6.639 1.00 1.30 O ATOM 232 C2' DC A 8 3.634 15.038 -5.404 1.00 1.01 C ATOM 233 C1' DC A 8 3.189 13.646 -5.837 1.00 0.78 C ATOM 234 N1 DC A 8 2.710 12.839 -4.694 1.00 0.55 N ATOM 235 C2 DC A 8 1.502 12.176 -4.843 1.00 0.53 C ATOM 236 O2 DC A 8 0.838 12.315 -5.867 1.00 0.72 O ATOM 237 N3 DC A 8 1.035 11.446 -3.799 1.00 0.44 N ATOM 238 C4 DC A 8 1.705 11.387 -2.646 1.00 0.43 C ATOM 239 N4 DC A 8 1.231 10.632 -1.659 1.00 0.56 N ATOM 240 C5 DC A 8 2.937 12.088 -2.475 1.00 0.54 C ATOM 241 C6 DC A 8 3.413 12.783 -3.525 1.00 0.56 C ATOM 0 H5' DC A 8 6.914 12.516 -7.011 1.00 0.80 H new ATOM 0 H5'' DC A 8 7.496 14.124 -6.630 1.00 0.80 H new ATOM 0 H4' DC A 8 5.372 14.229 -7.771 1.00 0.90 H new ATOM 0 H3' DC A 8 5.748 15.288 -5.037 1.00 1.01 H new ATOM 0 H2' DC A 8 3.569 15.146 -4.321 1.00 1.01 H new ATOM 0 H2'' DC A 8 2.992 15.803 -5.840 1.00 1.01 H new ATOM 0 HO3' DC A 8 5.019 17.175 -6.075 1.00 1.30 H new ATOM 0 H1' DC A 8 2.352 13.735 -6.530 1.00 0.78 H new ATOM 0 H41 DC A 8 1.733 10.578 -0.773 1.00 0.56 H new ATOM 0 H42 DC A 8 0.366 10.107 -1.789 1.00 0.56 H new ATOM 0 H5 DC A 8 3.469 12.062 -1.535 1.00 0.54 H new ATOM 0 H6 DC A 8 4.358 13.300 -3.442 1.00 0.56 H new TER 254 DC A 8 HETATM 255 C8' GPN B 9 -6.758 12.186 -3.494 1.00 0.60 C HETATM 256 C7' GPN B 9 -7.527 11.730 -4.736 1.00 0.52 C HETATM 257 O7' GPN B 9 -7.157 10.751 -5.354 1.00 0.55 O HETATM 258 C5' GPN B 9 -9.306 11.983 -6.391 1.00 0.54 C HETATM 259 C' GPN B 9 -8.505 11.944 -7.695 1.00 0.44 C HETATM 260 O1' GPN B 9 -8.913 11.328 -8.661 1.00 0.48 O HETATM 261 N4' GPN B 9 -8.589 12.402 -5.144 1.00 0.54 N HETATM 262 C3' GPN B 9 -9.088 13.585 -4.372 1.00 0.67 C HETATM 263 C2' GPN B 9 -9.932 13.113 -3.188 1.00 0.86 C HETATM 264 N1' GPN B 9 -10.356 11.881 -3.270 1.00 1.07 N HETATM 265 N9 GPN B 9 -5.644 11.346 -3.001 1.00 0.61 N HETATM 266 C8 GPN B 9 -5.614 10.478 -1.946 1.00 0.76 C HETATM 267 N7 GPN B 9 -4.443 9.991 -1.664 1.00 0.71 N HETATM 268 C5 GPN B 9 -3.617 10.573 -2.625 1.00 0.50 C HETATM 269 C6 GPN B 9 -2.220 10.424 -2.835 1.00 0.41 C HETATM 270 O6 GPN B 9 -1.417 9.752 -2.195 1.00 0.40 O HETATM 271 N1 GPN B 9 -1.784 11.183 -3.908 1.00 0.36 N HETATM 272 C2 GPN B 9 -2.585 11.979 -4.693 1.00 0.38 C HETATM 273 N2 GPN B 9 -1.987 12.594 -5.709 1.00 0.51 N HETATM 274 N3 GPN B 9 -3.897 12.127 -4.503 1.00 0.39 N HETATM 275 C4 GPN B 9 -4.345 11.398 -3.453 1.00 0.46 C HETATM 0 HN22 GPN B 9 -2.527 13.199 -6.328 1.00 0.51 H new HETATM 0 HN21 GPN B 9 -0.988 12.461 -5.869 1.00 0.51 H new HETATM 0 H8'2 GPN B 9 -6.358 13.179 -3.699 1.00 0.60 H new HETATM 0 H8'1 GPN B 9 -7.476 12.293 -2.681 1.00 0.60 H new HETATM 0 H5'2 GPN B 9 -10.149 12.658 -6.536 1.00 0.54 H new HETATM 0 H5'1 GPN B 9 -9.719 10.989 -6.222 1.00 0.54 H new HETATM 0 H3'2 GPN B 9 -8.247 14.180 -4.016 1.00 0.67 H new HETATM 0 H3'1 GPN B 9 -9.682 14.229 -5.020 1.00 0.67 H new HETATM 0 H2'2 GPN B 9 -9.344 13.219 -2.276 1.00 0.86 H new HETATM 0 H2'1 GPN B 9 -10.794 13.773 -3.090 1.00 0.86 H new HETATM 0 H1'3 GPN B 9 -11.074 11.720 -2.564 1.00 1.07 H new HETATM 0 H1'2 GPN B 9 -10.748 11.717 -4.197 1.00 1.07 H new HETATM 0 H1'1 GPN B 9 -9.577 11.242 -3.113 1.00 1.07 H new HETATM 0 HN1 GPN B 9 -0.790 11.149 -4.134 1.00 0.36 H new HETATM 0 H8 GPN B 9 -6.508 10.213 -1.382 1.00 0.76 H new HETATM 290 C8' CPN B 10 -3.617 11.140 -8.493 1.00 0.36 C HETATM 291 C7' CPN B 10 -3.925 11.021 -9.983 1.00 0.44 C HETATM 292 O7' CPN B 10 -3.007 10.918 -10.770 1.00 0.54 O HETATM 293 C5' CPN B 10 -5.445 11.067 -11.906 1.00 0.56 C HETATM 294 C' CPN B 10 -4.741 10.044 -12.796 1.00 0.57 C HETATM 295 O1' CPN B 10 -4.466 10.320 -13.949 1.00 0.63 O HETATM 296 N4' CPN B 10 -5.173 11.080 -10.430 1.00 0.45 N HETATM 297 C3' CPN B 10 -6.336 11.163 -9.485 1.00 0.41 C HETATM 298 C2' CPN B 10 -6.489 12.588 -8.944 1.00 0.38 C HETATM 299 N1' CPN B 10 -7.369 12.600 -7.727 1.00 0.39 N HETATM 300 N1 CPN B 10 -3.433 9.962 -7.638 1.00 0.33 N HETATM 301 C2 CPN B 10 -2.109 9.647 -7.262 1.00 0.30 C HETATM 302 N3 CPN B 10 -1.909 8.948 -6.107 1.00 0.29 N HETATM 303 C4 CPN B 10 -2.945 8.584 -5.351 1.00 0.33 C HETATM 304 C5 CPN B 10 -4.286 8.883 -5.748 1.00 0.37 C HETATM 305 C6 CPN B 10 -4.480 9.515 -6.903 1.00 0.37 C HETATM 306 O2 CPN B 10 -1.147 10.027 -7.947 1.00 0.40 O HETATM 307 N4 CPN B 10 -2.721 7.877 -4.247 1.00 0.39 N HETATM 0 HN42 CPN B 10 -3.503 7.591 -3.657 1.00 0.39 H new HETATM 0 HN41 CPN B 10 -1.768 7.621 -3.990 1.00 0.39 H new HETATM 0 H8'2 CPN B 10 -2.708 11.735 -8.407 1.00 0.36 H new HETATM 0 H8'1 CPN B 10 -4.424 11.725 -8.052 1.00 0.36 H new HETATM 0 H5'2 CPN B 10 -5.200 12.057 -12.291 1.00 0.56 H new HETATM 0 H5'1 CPN B 10 -6.518 10.930 -12.038 1.00 0.56 H new HETATM 0 H3'2 CPN B 10 -7.250 10.862 -9.997 1.00 0.41 H new HETATM 0 H3'1 CPN B 10 -6.190 10.468 -8.658 1.00 0.41 H new HETATM 0 H2'2 CPN B 10 -5.509 12.995 -8.695 1.00 0.38 H new HETATM 0 H2'1 CPN B 10 -6.915 13.231 -9.714 1.00 0.38 H new HETATM 0 H1'1 CPN B 10 -7.459 13.555 -7.381 1.00 0.39 H new HETATM 0 H6 CPN B 10 -5.496 9.675 -7.263 1.00 0.37 H new HETATM 0 H5 CPN B 10 -5.130 8.600 -5.119 1.00 0.37 H new HETATM 321 C8' TPN B 11 -0.956 7.654 -10.486 1.00 0.43 C HETATM 322 C7' TPN B 11 -1.018 6.557 -11.559 1.00 0.49 C HETATM 323 O7' TPN B 11 -0.528 5.473 -11.312 1.00 0.54 O HETATM 324 C5' TPN B 11 -1.572 5.659 -13.765 1.00 0.60 C HETATM 325 C' TPN B 11 -0.327 4.772 -13.877 1.00 0.58 C HETATM 326 O1' TPN B 11 -0.414 3.643 -14.323 1.00 0.64 O HETATM 327 N4' TPN B 11 -1.585 6.756 -12.740 1.00 0.53 N HETATM 328 C3' TPN B 11 -2.244 8.054 -13.085 1.00 0.56 C HETATM 329 C2' TPN B 11 -3.759 7.851 -13.166 1.00 0.66 C HETATM 330 N1' TPN B 11 -4.438 8.871 -12.310 1.00 0.57 N HETATM 331 N1 TPN B 11 -1.213 7.206 -9.114 1.00 0.38 N HETATM 332 C6 TPN B 11 -2.471 6.839 -8.760 1.00 0.40 C HETATM 333 C2 TPN B 11 -0.128 6.973 -8.289 1.00 0.36 C HETATM 334 O2 TPN B 11 1.000 7.378 -8.552 1.00 0.42 O HETATM 335 N3 TPN B 11 -0.398 6.297 -7.120 1.00 0.33 N HETATM 336 C4 TPN B 11 -1.640 5.864 -6.697 1.00 0.35 C HETATM 337 O4 TPN B 11 -1.752 5.226 -5.655 1.00 0.43 O HETATM 338 C5 TPN B 11 -2.716 6.188 -7.607 1.00 0.40 C HETATM 339 C5M TPN B 11 -4.140 5.752 -7.275 1.00 0.49 C HETATM 0 HM53 TPN B 11 -4.787 6.628 -7.230 1.00 0.49 H new HETATM 0 HM52 TPN B 11 -4.502 5.073 -8.047 1.00 0.49 H new HETATM 0 HM51 TPN B 11 -4.149 5.244 -6.311 1.00 0.49 H new HETATM 0 H8'2 TPN B 11 0.030 8.117 -10.520 1.00 0.43 H new HETATM 0 H8'1 TPN B 11 -1.681 8.428 -10.739 1.00 0.43 H new HETATM 0 H5'2 TPN B 11 -1.742 6.116 -14.740 1.00 0.60 H new HETATM 0 H5'1 TPN B 11 -2.424 5.009 -13.565 1.00 0.60 H new HETATM 0 H3'2 TPN B 11 -2.007 8.806 -12.332 1.00 0.56 H new HETATM 0 H3'1 TPN B 11 -1.865 8.425 -14.037 1.00 0.56 H new HETATM 0 H2'2 TPN B 11 -4.096 7.943 -14.199 1.00 0.66 H new HETATM 0 H2'1 TPN B 11 -4.022 6.847 -12.834 1.00 0.66 H new HETATM 0 H1'3 TPN B 11 -5.448 8.740 -12.361 1.00 0.57 H new HETATM 0 HN3 TPN B 11 0.394 6.097 -6.509 1.00 0.33 H new HETATM 0 H6 TPN B 11 -3.302 7.077 -9.424 1.00 0.40 H new HETATM 354 C8' APN B 12 3.183 4.594 -9.708 1.00 0.36 C HETATM 355 C7' APN B 12 4.120 3.956 -10.736 1.00 0.38 C HETATM 356 O7' APN B 12 5.308 3.864 -10.492 1.00 0.39 O HETATM 357 C5' APN B 12 4.582 2.833 -12.848 1.00 0.45 C HETATM 358 C' APN B 12 5.284 1.552 -12.395 1.00 0.40 C HETATM 359 O1' APN B 12 6.297 1.161 -12.937 1.00 0.42 O HETATM 360 N4' APN B 12 3.654 3.499 -11.879 1.00 0.41 N HETATM 361 C3' APN B 12 2.204 3.642 -12.219 1.00 0.46 C HETATM 362 C2' APN B 12 2.057 4.390 -13.544 1.00 0.56 C HETATM 363 N1' APN B 12 0.831 5.243 -13.487 1.00 0.53 N HETATM 364 N9 APN B 12 2.241 3.726 -8.958 1.00 0.35 N HETATM 365 C8 APN B 12 0.891 3.556 -9.120 1.00 0.39 C HETATM 366 N7 APN B 12 0.304 2.880 -8.181 1.00 0.40 N HETATM 367 C5 APN B 12 1.354 2.542 -7.332 1.00 0.36 C HETATM 368 C6 APN B 12 1.408 1.810 -6.141 1.00 0.36 C HETATM 369 N6 APN B 12 0.333 1.259 -5.578 1.00 0.39 N HETATM 370 N1 APN B 12 2.609 1.666 -5.557 1.00 0.33 N HETATM 371 C2 APN B 12 3.695 2.206 -6.116 1.00 0.30 C HETATM 372 N3 APN B 12 3.753 2.914 -7.237 1.00 0.30 N HETATM 373 C4 APN B 12 2.536 3.045 -7.799 1.00 0.33 C HETATM 0 HN62 APN B 12 0.425 0.734 -4.708 1.00 0.39 H new HETATM 0 HN61 APN B 12 -0.582 1.362 -6.017 1.00 0.39 H new HETATM 0 H8'2 APN B 12 3.802 5.116 -8.978 1.00 0.36 H new HETATM 0 H8'1 APN B 12 2.593 5.351 -10.225 1.00 0.36 H new HETATM 0 H5'2 APN B 12 5.349 3.555 -13.128 1.00 0.45 H new HETATM 0 H5'1 APN B 12 4.016 2.604 -13.751 1.00 0.45 H new HETATM 0 H3'2 APN B 12 1.739 2.659 -12.292 1.00 0.46 H new HETATM 0 H3'1 APN B 12 1.686 4.182 -11.426 1.00 0.46 H new HETATM 0 H2'2 APN B 12 2.937 5.007 -13.728 1.00 0.56 H new HETATM 0 H2'1 APN B 12 1.985 3.682 -14.370 1.00 0.56 H new HETATM 0 H1'2 APN B 12 0.725 5.746 -14.368 1.00 0.53 H new HETATM 0 H8 APN B 12 0.350 3.959 -9.976 1.00 0.39 H new HETATM 0 H2 APN B 12 4.638 2.048 -5.594 1.00 0.30 H new HETATM 387 C8' TPN B 13 4.181 -0.729 -7.633 1.00 0.31 C HETATM 388 C7' TPN B 13 5.310 -1.716 -7.958 1.00 0.29 C HETATM 389 O7' TPN B 13 5.375 -2.777 -7.374 1.00 0.32 O HETATM 390 C5' TPN B 13 7.398 -2.314 -9.108 1.00 0.31 C HETATM 391 C' TPN B 13 8.068 -3.003 -7.910 1.00 0.26 C HETATM 392 O1' TPN B 13 8.995 -2.485 -7.316 1.00 0.28 O HETATM 393 N4' TPN B 13 6.239 -1.394 -8.848 1.00 0.29 N HETATM 394 C3' TPN B 13 6.148 -0.109 -9.610 1.00 0.31 C HETATM 395 C2' TPN B 13 5.344 -0.364 -10.889 1.00 0.34 C HETATM 396 N1' TPN B 13 4.749 0.912 -11.389 1.00 0.37 N HETATM 397 N1 TPN B 13 2.907 -1.203 -7.060 1.00 0.32 N HETATM 398 C6 TPN B 13 1.743 -0.984 -7.729 1.00 0.34 C HETATM 399 C2 TPN B 13 2.916 -1.735 -5.781 1.00 0.33 C HETATM 400 O2 TPN B 13 3.943 -1.843 -5.118 1.00 0.38 O HETATM 401 N3 TPN B 13 1.678 -2.019 -5.241 1.00 0.33 N HETATM 402 C4 TPN B 13 0.455 -1.816 -5.848 1.00 0.34 C HETATM 403 O4 TPN B 13 -0.586 -2.103 -5.260 1.00 0.38 O HETATM 404 C5 TPN B 13 0.549 -1.251 -7.178 1.00 0.34 C HETATM 405 C5M TPN B 13 -0.715 -0.821 -7.916 1.00 0.41 C HETATM 0 HM53 TPN B 13 -0.709 0.261 -8.048 1.00 0.41 H new HETATM 0 HM52 TPN B 13 -0.749 -1.305 -8.892 1.00 0.41 H new HETATM 0 HM51 TPN B 13 -1.591 -1.111 -7.336 1.00 0.41 H new HETATM 0 H8'2 TPN B 13 4.589 0.008 -6.941 1.00 0.31 H new HETATM 0 H8'1 TPN B 13 3.941 -0.201 -8.556 1.00 0.31 H new HETATM 0 H5'2 TPN B 13 8.164 -1.743 -9.633 1.00 0.31 H new HETATM 0 H5'1 TPN B 13 7.057 -3.093 -9.790 1.00 0.31 H new HETATM 0 H3'2 TPN B 13 5.665 0.658 -9.005 1.00 0.31 H new HETATM 0 H3'1 TPN B 13 7.144 0.259 -9.855 1.00 0.31 H new HETATM 0 H2'2 TPN B 13 5.990 -0.796 -11.653 1.00 0.34 H new HETATM 0 H2'1 TPN B 13 4.554 -1.089 -10.692 1.00 0.34 H new HETATM 0 H1'3 TPN B 13 4.217 0.729 -12.240 1.00 0.37 H new HETATM 0 HN3 TPN B 13 1.666 -2.418 -4.302 1.00 0.33 H new HETATM 0 H6 TPN B 13 1.781 -0.580 -8.741 1.00 0.34 H new HETATM 420 C8' GPN B 14 5.544 -4.277 -4.425 1.00 0.22 C HETATM 421 C7' GPN B 14 6.633 -4.959 -3.585 1.00 0.20 C HETATM 422 O7' GPN B 14 6.336 -5.623 -2.614 1.00 0.24 O HETATM 423 C5' GPN B 14 9.010 -5.333 -3.054 1.00 0.24 C HETATM 424 C' GPN B 14 8.760 -6.619 -2.264 1.00 0.23 C HETATM 425 O1' GPN B 14 8.641 -6.615 -1.052 1.00 0.29 O HETATM 426 N4' GPN B 14 7.903 -4.770 -3.904 1.00 0.19 N HETATM 427 C3' GPN B 14 8.250 -3.984 -5.134 1.00 0.20 C HETATM 428 C2' GPN B 14 8.188 -4.905 -6.364 1.00 0.22 C HETATM 429 N1' GPN B 14 7.597 -4.170 -7.535 1.00 0.25 N HETATM 430 N9 GPN B 14 4.195 -4.853 -4.568 1.00 0.24 N HETATM 431 C8 GPN B 14 3.400 -4.840 -5.676 1.00 0.26 C HETATM 432 N7 GPN B 14 2.173 -5.210 -5.484 1.00 0.27 N HETATM 433 C5 GPN B 14 2.132 -5.486 -4.119 1.00 0.24 C HETATM 434 C6 GPN B 14 1.047 -5.920 -3.311 1.00 0.25 C HETATM 435 O6 GPN B 14 -0.121 -6.118 -3.639 1.00 0.30 O HETATM 436 N1 GPN B 14 1.429 -6.078 -1.990 1.00 0.26 N HETATM 437 C2 GPN B 14 2.697 -5.856 -1.500 1.00 0.26 C HETATM 438 N2 GPN B 14 2.875 -6.075 -0.204 1.00 0.31 N HETATM 439 N3 GPN B 14 3.720 -5.449 -2.251 1.00 0.25 N HETATM 440 C4 GPN B 14 3.370 -5.282 -3.548 1.00 0.23 C HETATM 0 HN22 GPN B 14 3.792 -5.928 0.217 1.00 0.31 H new HETATM 0 HN21 GPN B 14 2.094 -6.391 0.372 1.00 0.31 H new HETATM 0 H8'2 GPN B 14 5.416 -3.273 -4.020 1.00 0.22 H new HETATM 0 H8'1 GPN B 14 5.947 -4.165 -5.432 1.00 0.22 H new HETATM 0 H5'2 GPN B 14 9.302 -4.561 -2.342 1.00 0.24 H new HETATM 0 H5'1 GPN B 14 9.867 -5.508 -3.704 1.00 0.24 H new HETATM 0 H3'2 GPN B 14 7.557 -3.151 -5.254 1.00 0.20 H new HETATM 0 H3'1 GPN B 14 9.248 -3.556 -5.036 1.00 0.20 H new HETATM 0 H2'2 GPN B 14 9.189 -5.257 -6.614 1.00 0.22 H new HETATM 0 H2'1 GPN B 14 7.587 -5.786 -6.138 1.00 0.22 H new HETATM 0 H1'1 GPN B 14 7.561 -4.791 -8.344 1.00 0.25 H new HETATM 0 HN1 GPN B 14 0.716 -6.383 -1.328 1.00 0.26 H new HETATM 0 H8 GPN B 14 3.771 -4.539 -6.656 1.00 0.26 H new HETATM 454 C8' TPN B 15 4.397 -8.822 -2.412 1.00 0.31 C HETATM 455 C7' TPN B 15 5.044 -10.129 -1.956 1.00 0.29 C HETATM 456 O7' TPN B 15 4.412 -11.167 -2.019 1.00 0.34 O HETATM 457 C5' TPN B 15 6.841 -11.383 -0.878 1.00 0.31 C HETATM 458 C' TPN B 15 5.964 -12.222 0.074 1.00 0.31 C HETATM 459 O1' TPN B 15 6.347 -13.306 0.469 1.00 0.36 O HETATM 460 N4' TPN B 15 6.252 -10.121 -1.436 1.00 0.28 N HETATM 461 C3' TPN B 15 7.042 -8.850 -1.404 1.00 0.28 C HETATM 462 C2' TPN B 15 8.343 -9.019 -2.203 1.00 0.27 C HETATM 463 N1' TPN B 15 8.634 -7.740 -2.927 1.00 0.23 N HETATM 464 N1 TPN B 15 3.215 -8.897 -3.269 1.00 0.35 N HETATM 465 C6 TPN B 15 3.346 -8.722 -4.606 1.00 0.37 C HETATM 466 C2 TPN B 15 1.992 -9.161 -2.679 1.00 0.35 C HETATM 467 O2 TPN B 15 1.858 -9.304 -1.464 1.00 0.43 O HETATM 468 N3 TPN B 15 0.921 -9.238 -3.537 1.00 0.39 N HETATM 469 C4 TPN B 15 0.959 -9.077 -4.906 1.00 0.44 C HETATM 470 O4 TPN B 15 -0.071 -9.164 -5.569 1.00 0.53 O HETATM 471 C5 TPN B 15 2.282 -8.802 -5.430 1.00 0.41 C HETATM 472 C5M TPN B 15 2.476 -8.606 -6.931 1.00 0.51 C HETATM 0 HM53 TPN B 15 2.885 -7.613 -7.118 1.00 0.51 H new HETATM 0 HM52 TPN B 15 3.165 -9.360 -7.310 1.00 0.51 H new HETATM 0 HM51 TPN B 15 1.516 -8.704 -7.438 1.00 0.51 H new HETATM 0 H8'2 TPN B 15 4.126 -8.256 -1.521 1.00 0.31 H new HETATM 0 H8'1 TPN B 15 5.154 -8.242 -2.940 1.00 0.31 H new HETATM 0 H5'2 TPN B 15 7.756 -11.120 -0.347 1.00 0.31 H new HETATM 0 H5'1 TPN B 15 7.129 -12.018 -1.716 1.00 0.31 H new HETATM 0 H3'2 TPN B 15 6.452 -8.035 -1.823 1.00 0.28 H new HETATM 0 H3'1 TPN B 15 7.271 -8.581 -0.373 1.00 0.28 H new HETATM 0 H2'2 TPN B 15 9.167 -9.270 -1.535 1.00 0.27 H new HETATM 0 H2'1 TPN B 15 8.246 -9.841 -2.912 1.00 0.27 H new HETATM 0 H1'1 TPN B 15 9.497 -7.840 -3.462 1.00 0.23 H new HETATM 0 HN3 TPN B 15 0.010 -9.433 -3.121 1.00 0.39 H new HETATM 0 H6 TPN B 15 4.331 -8.512 -5.024 1.00 0.37 H new HETATM 487 C8' CPN B 16 1.527 -12.484 -0.815 1.00 0.32 C HETATM 488 C7' CPN B 16 1.165 -13.605 0.165 1.00 0.34 C HETATM 489 O7' CPN B 16 0.002 -13.924 0.320 1.00 0.37 O HETATM 490 C5' CPN B 16 1.742 -15.285 1.842 1.00 0.48 C HETATM 491 C' CPN B 16 2.312 -15.172 3.256 1.00 1.11 C HETATM 492 O1' CPN B 16 1.854 -15.840 4.162 1.00 1.16 O HETATM 493 N4' CPN B 16 2.109 -14.227 0.850 1.00 0.38 N HETATM 494 C3' CPN B 16 3.554 -13.886 0.648 1.00 0.38 C HETATM 495 C2' CPN B 16 3.894 -12.565 1.348 1.00 0.34 C HETATM 496 N1' CPN B 16 4.793 -11.758 0.459 1.00 0.30 N HETATM 497 N1 CPN B 16 0.892 -12.460 -2.149 1.00 0.36 N HETATM 498 C2 CPN B 16 -0.516 -12.381 -2.228 1.00 0.38 C HETATM 499 N3 CPN B 16 -1.090 -12.313 -3.466 1.00 0.45 N HETATM 500 C4 CPN B 16 -0.335 -12.305 -4.569 1.00 0.47 C HETATM 501 C5 CPN B 16 1.094 -12.367 -4.492 1.00 0.45 C HETATM 502 C6 CPN B 16 1.660 -12.459 -3.271 1.00 0.40 C HETATM 503 O2 CPN B 16 -1.218 -12.323 -1.207 1.00 0.39 O HETATM 504 N4 CPN B 16 -0.932 -12.268 -5.757 1.00 0.59 N HETATM 0 HN42 CPN B 16 -0.372 -12.261 -6.609 1.00 0.59 H new HETATM 0 HN41 CPN B 16 -1.950 -12.246 -5.816 1.00 0.59 H new HETATM 0 H8'2 CPN B 16 1.301 -11.536 -0.327 1.00 0.32 H new HETATM 0 H8'1 CPN B 16 2.606 -12.516 -0.966 1.00 0.32 H new HETATM 0 H5'2 CPN B 16 2.051 -16.247 1.433 1.00 0.48 H new HETATM 0 H5'1 CPN B 16 0.655 -15.306 1.921 1.00 0.48 H new HETATM 0 H3'2 CPN B 16 4.181 -14.686 1.042 1.00 0.38 H new HETATM 0 H3'1 CPN B 16 3.770 -13.807 -0.417 1.00 0.38 H new HETATM 0 H2'2 CPN B 16 2.982 -12.009 1.566 1.00 0.34 H new HETATM 0 H2'1 CPN B 16 4.384 -12.760 2.302 1.00 0.34 H new HETATM 0 H1'2 CPN B 16 5.766 -11.924 0.717 1.00 0.30 H new HETATM 0 H1'1 CPN B 16 4.648 -12.033 -0.512 1.00 0.30 H new HETATM 0 H6 CPN B 16 2.744 -12.533 -3.183 1.00 0.40 H new HETATM 0 H5 CPN B 16 1.706 -12.341 -5.394 1.00 0.45 H new HETATM 518 N NH2 B 17 2.928 -16.076 3.962 1.00 1.45 N TER 521 NH2 B 17