USER MOD reduce.3.24.130724 H: found=0, std=0, add=200, rem=0, adj=3 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 11 TPN C2' :...(NH2R) USER MOD NoAdj-H: B 11 TPNH1'1 : B 11 TPN N1' : B 11 TPN C2' :...(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 TPNH1'3 : B 13 TPN N1' : B 13 TPN 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= -0.138 (180deg=-0.138) 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+ -94:sc= 1.07 (180deg=-0.938) USER MOD Single : B 11 TPN N1' :NH3+ 180:sc= -0.67 (180deg=-0.67) USER MOD Single : B 12 APN N1' :NH3+ 180:sc= -1.82! (180deg=-1.82!) USER MOD Single : B 13 TPN N1' :NH3+ 180:sc= -0.0514 (180deg=-0.0514) USER MOD Single : B 14 GPN N1' :NH3+ 180:sc= -1.1 (180deg=-1.1) USER MOD Single : B 15 TPN N1' :NH3+ 180:sc= -0.2 (180deg=-0.2) USER MOD Single : B 16 CPN N1' :NH3+ 180:sc= -2.31! (180deg=-2.31!) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -11.625 -11.477 -4.320 1.00 0.64 O ATOM 2 C5' DG A 1 -12.253 -12.260 -3.300 1.00 0.59 C ATOM 3 C4' DG A 1 -11.285 -12.582 -2.165 1.00 0.45 C ATOM 4 O4' DG A 1 -10.149 -13.335 -2.660 1.00 0.44 O ATOM 5 C3' DG A 1 -10.758 -11.304 -1.518 1.00 0.39 C ATOM 6 O3' DG A 1 -10.983 -11.319 -0.103 1.00 0.36 O ATOM 7 C2' DG A 1 -9.282 -11.279 -1.842 1.00 0.37 C ATOM 8 C1' DG A 1 -8.923 -12.689 -2.269 1.00 0.37 C ATOM 9 N9 DG A 1 -7.944 -12.678 -3.373 1.00 0.39 N ATOM 10 C8 DG A 1 -8.132 -12.372 -4.691 1.00 0.44 C ATOM 11 N7 DG A 1 -7.051 -12.333 -5.409 1.00 0.43 N ATOM 12 C5 DG A 1 -6.052 -12.660 -4.495 1.00 0.37 C ATOM 13 C6 DG A 1 -4.650 -12.787 -4.686 1.00 0.36 C ATOM 14 O6 DG A 1 -3.999 -12.601 -5.709 1.00 0.41 O ATOM 15 N1 DG A 1 -4.008 -13.132 -3.509 1.00 0.34 N ATOM 16 C2 DG A 1 -4.629 -13.334 -2.296 1.00 0.32 C ATOM 17 N2 DG A 1 -3.840 -13.628 -1.270 1.00 0.36 N ATOM 18 N3 DG A 1 -5.944 -13.217 -2.111 1.00 0.31 N ATOM 19 C4 DG A 1 -6.591 -12.878 -3.249 1.00 0.34 C ATOM 0 H5' DG A 1 -12.630 -13.187 -3.732 1.00 0.59 H new ATOM 0 H5'' DG A 1 -13.113 -11.720 -2.904 1.00 0.59 H new ATOM 0 H4' DG A 1 -11.835 -13.170 -1.430 1.00 0.45 H new ATOM 0 H3' DG A 1 -11.265 -10.415 -1.892 1.00 0.39 H new ATOM 0 H2' DG A 1 -9.069 -10.565 -2.637 1.00 0.37 H new ATOM 0 H2'' DG A 1 -8.697 -10.973 -0.974 1.00 0.37 H new ATOM 0 HO5' DG A 1 -12.271 -11.289 -5.033 1.00 0.64 H new ATOM 0 H1' DG A 1 -8.451 -13.231 -1.450 1.00 0.37 H new ATOM 0 H8 DG A 1 -9.110 -12.177 -5.106 1.00 0.44 H new ATOM 0 H1 DG A 1 -2.995 -13.246 -3.543 1.00 0.34 H new ATOM 0 H21 DG A 1 -4.243 -13.788 -0.347 1.00 0.36 H new ATOM 0 H22 DG A 1 -2.831 -13.694 -1.405 1.00 0.36 H new ATOM 32 P DA A 2 -10.343 -10.188 0.852 1.00 0.37 P ATOM 33 OP1 DA A 2 -10.974 -10.296 2.186 1.00 0.42 O ATOM 34 OP2 DA A 2 -10.369 -8.898 0.126 1.00 0.46 O ATOM 35 O5' DA A 2 -8.809 -10.667 0.976 1.00 0.38 O ATOM 36 C5' DA A 2 -8.449 -11.747 1.847 1.00 0.36 C ATOM 37 C4' DA A 2 -6.962 -11.725 2.190 1.00 0.32 C ATOM 38 O4' DA A 2 -6.154 -12.036 1.035 1.00 0.36 O ATOM 39 C3' DA A 2 -6.544 -10.350 2.695 1.00 0.29 C ATOM 40 O3' DA A 2 -6.267 -10.372 4.100 1.00 0.31 O ATOM 41 C2' DA A 2 -5.317 -9.980 1.901 1.00 0.32 C ATOM 42 C1' DA A 2 -5.016 -11.156 0.993 1.00 0.31 C ATOM 43 N9 DA A 2 -4.741 -10.704 -0.382 1.00 0.31 N ATOM 44 C8 DA A 2 -5.593 -10.161 -1.302 1.00 0.35 C ATOM 45 N7 DA A 2 -5.042 -9.832 -2.432 1.00 0.36 N ATOM 46 C5 DA A 2 -3.707 -10.192 -2.247 1.00 0.31 C ATOM 47 C6 DA A 2 -2.579 -10.112 -3.069 1.00 0.32 C ATOM 48 N6 DA A 2 -2.628 -9.672 -4.324 1.00 0.37 N ATOM 49 N1 DA A 2 -1.413 -10.558 -2.571 1.00 0.30 N ATOM 50 C2 DA A 2 -1.364 -11.064 -1.334 1.00 0.29 C ATOM 51 N3 DA A 2 -2.369 -11.180 -0.479 1.00 0.29 N ATOM 52 C4 DA A 2 -3.519 -10.723 -1.004 1.00 0.29 C ATOM 0 H5' DA A 2 -8.699 -12.696 1.372 1.00 0.36 H new ATOM 0 H5'' DA A 2 -9.035 -11.685 2.764 1.00 0.36 H new ATOM 0 H4' DA A 2 -6.806 -12.476 2.964 1.00 0.32 H new ATOM 0 H3' DA A 2 -7.341 -9.619 2.561 1.00 0.29 H new ATOM 0 H2' DA A 2 -5.491 -9.076 1.318 1.00 0.32 H new ATOM 0 H2'' DA A 2 -4.475 -9.776 2.562 1.00 0.32 H new ATOM 0 H1' DA A 2 -4.123 -11.680 1.333 1.00 0.31 H new ATOM 0 H8 DA A 2 -6.645 -10.016 -1.105 1.00 0.35 H new ATOM 0 H61 DA A 2 -1.776 -9.632 -4.884 1.00 0.37 H new ATOM 0 H62 DA A 2 -3.517 -9.374 -4.726 1.00 0.37 H new ATOM 0 H2 DA A 2 -0.401 -11.416 -0.996 1.00 0.29 H new ATOM 64 P DC A 3 -5.809 -9.032 4.870 1.00 0.34 P ATOM 65 OP1 DC A 3 -5.895 -9.282 6.327 1.00 0.44 O ATOM 66 OP2 DC A 3 -6.532 -7.886 4.274 1.00 0.40 O ATOM 67 O5' DC A 3 -4.252 -8.911 4.464 1.00 0.30 O ATOM 68 C5' DC A 3 -3.269 -9.750 5.081 1.00 0.28 C ATOM 69 C4' DC A 3 -1.846 -9.328 4.720 1.00 0.21 C ATOM 70 O4' DC A 3 -1.571 -9.556 3.322 1.00 0.23 O ATOM 71 C3' DC A 3 -1.626 -7.847 5.002 1.00 0.20 C ATOM 72 O3' DC A 3 -0.782 -7.662 6.145 1.00 0.21 O ATOM 73 C2' DC A 3 -0.990 -7.287 3.749 1.00 0.19 C ATOM 74 C1' DC A 3 -0.807 -8.457 2.794 1.00 0.19 C ATOM 75 N1 DC A 3 -1.247 -8.124 1.423 1.00 0.21 N ATOM 76 C2 DC A 3 -0.261 -7.952 0.461 1.00 0.23 C ATOM 77 O2 DC A 3 0.924 -8.064 0.758 1.00 0.27 O ATOM 78 N3 DC A 3 -0.640 -7.611 -0.797 1.00 0.26 N ATOM 79 C4 DC A 3 -1.928 -7.426 -1.100 1.00 0.28 C ATOM 80 N4 DC A 3 -2.259 -7.155 -2.361 1.00 0.34 N ATOM 81 C5 DC A 3 -2.947 -7.579 -0.110 1.00 0.28 C ATOM 82 C6 DC A 3 -2.567 -7.945 1.130 1.00 0.23 C ATOM 0 H5' DC A 3 -3.430 -10.783 4.773 1.00 0.28 H new ATOM 0 H5'' DC A 3 -3.393 -9.717 6.163 1.00 0.28 H new ATOM 0 H4' DC A 3 -1.177 -9.931 5.334 1.00 0.21 H new ATOM 0 H3' DC A 3 -2.560 -7.336 5.235 1.00 0.20 H new ATOM 0 H2' DC A 3 -1.622 -6.519 3.304 1.00 0.19 H new ATOM 0 H2'' DC A 3 -0.032 -6.819 3.977 1.00 0.19 H new ATOM 0 H1' DC A 3 0.250 -8.714 2.719 1.00 0.19 H new ATOM 0 H41 DC A 3 -3.237 -7.011 -2.612 1.00 0.34 H new ATOM 0 H42 DC A 3 -1.534 -7.092 -3.076 1.00 0.34 H new ATOM 0 H5 DC A 3 -3.986 -7.407 -0.347 1.00 0.28 H new ATOM 0 H6 DC A 3 -3.312 -8.098 1.897 1.00 0.23 H new ATOM 94 P DA A 4 -0.280 -6.191 6.567 1.00 0.25 P ATOM 95 OP1 DA A 4 0.377 -6.287 7.889 1.00 0.31 O ATOM 96 OP2 DA A 4 -1.399 -5.242 6.367 1.00 0.34 O ATOM 97 O5' DA A 4 0.849 -5.880 5.459 1.00 0.23 O ATOM 98 C5' DA A 4 2.217 -6.243 5.687 1.00 0.25 C ATOM 99 C4' DA A 4 3.176 -5.319 4.944 1.00 0.21 C ATOM 100 O4' DA A 4 3.141 -5.565 3.516 1.00 0.23 O ATOM 101 C3' DA A 4 2.806 -3.856 5.178 1.00 0.22 C ATOM 102 O3' DA A 4 3.875 -3.147 5.817 1.00 0.27 O ATOM 103 C2' DA A 4 2.521 -3.302 3.806 1.00 0.22 C ATOM 104 C1' DA A 4 3.081 -4.305 2.825 1.00 0.20 C ATOM 105 N9 DA A 4 2.230 -4.366 1.634 1.00 0.20 N ATOM 106 C8 DA A 4 0.930 -4.745 1.541 1.00 0.20 C ATOM 107 N7 DA A 4 0.384 -4.567 0.375 1.00 0.19 N ATOM 108 C5 DA A 4 1.413 -3.987 -0.362 1.00 0.18 C ATOM 109 C6 DA A 4 1.495 -3.525 -1.677 1.00 0.19 C ATOM 110 N6 DA A 4 0.467 -3.540 -2.523 1.00 0.22 N ATOM 111 N1 DA A 4 2.668 -3.008 -2.078 1.00 0.21 N ATOM 112 C2 DA A 4 3.699 -2.945 -1.236 1.00 0.22 C ATOM 113 N3 DA A 4 3.727 -3.353 0.024 1.00 0.22 N ATOM 114 C4 DA A 4 2.540 -3.867 0.398 1.00 0.18 C ATOM 0 H5' DA A 4 2.379 -7.272 5.365 1.00 0.25 H new ATOM 0 H5'' DA A 4 2.430 -6.206 6.755 1.00 0.25 H new ATOM 0 H4' DA A 4 4.175 -5.523 5.329 1.00 0.21 H new ATOM 0 H3' DA A 4 1.948 -3.753 5.842 1.00 0.22 H new ATOM 0 H2' DA A 4 1.450 -3.166 3.655 1.00 0.22 H new ATOM 0 H2'' DA A 4 2.988 -2.326 3.675 1.00 0.22 H new ATOM 0 H1' DA A 4 4.076 -4.027 2.478 1.00 0.20 H new ATOM 0 H8 DA A 4 0.388 -5.164 2.376 1.00 0.20 H new ATOM 0 H61 DA A 4 0.584 -3.189 -3.474 1.00 0.22 H new ATOM 0 H62 DA A 4 -0.437 -3.902 -2.220 1.00 0.22 H new ATOM 0 H2 DA A 4 4.611 -2.515 -1.623 1.00 0.22 H new ATOM 126 P DT A 5 3.857 -1.537 5.916 1.00 0.32 P ATOM 127 OP1 DT A 5 4.985 -1.115 6.779 1.00 0.41 O ATOM 128 OP2 DT A 5 2.479 -1.103 6.239 1.00 0.38 O ATOM 129 O5' DT A 5 4.185 -1.094 4.400 1.00 0.28 O ATOM 130 C5' DT A 5 5.483 -1.324 3.837 1.00 0.28 C ATOM 131 C4' DT A 5 5.851 -0.269 2.796 1.00 0.27 C ATOM 132 O4' DT A 5 5.257 -0.560 1.512 1.00 0.26 O ATOM 133 C3' DT A 5 5.380 1.114 3.229 1.00 0.27 C ATOM 134 O3' DT A 5 6.499 1.956 3.541 1.00 0.32 O ATOM 135 C2' DT A 5 4.576 1.643 2.058 1.00 0.26 C ATOM 136 C1' DT A 5 4.787 0.664 0.921 1.00 0.24 C ATOM 137 N1 DT A 5 3.547 0.443 0.153 1.00 0.24 N ATOM 138 C2 DT A 5 3.477 0.988 -1.118 1.00 0.25 C ATOM 139 O2 DT A 5 4.410 1.603 -1.622 1.00 0.29 O ATOM 140 N3 DT A 5 2.291 0.803 -1.793 1.00 0.27 N ATOM 141 C4 DT A 5 1.182 0.132 -1.317 1.00 0.30 C ATOM 142 O4 DT A 5 0.172 0.028 -2.006 1.00 0.39 O ATOM 143 C5 DT A 5 1.346 -0.401 0.019 1.00 0.26 C ATOM 144 C7 DT A 5 0.172 -1.072 0.711 1.00 0.28 C ATOM 145 C6 DT A 5 2.496 -0.243 0.694 1.00 0.23 C ATOM 0 H5' DT A 5 5.509 -2.312 3.377 1.00 0.28 H new ATOM 0 H5'' DT A 5 6.228 -1.324 4.632 1.00 0.28 H new ATOM 0 H4' DT A 5 6.937 -0.286 2.709 1.00 0.27 H new ATOM 0 H3' DT A 5 4.776 1.083 4.136 1.00 0.27 H new ATOM 0 H2' DT A 5 3.519 1.719 2.315 1.00 0.26 H new ATOM 0 H2'' DT A 5 4.909 2.642 1.778 1.00 0.26 H new ATOM 0 H1' DT A 5 5.512 1.058 0.209 1.00 0.24 H new ATOM 0 H3 DT A 5 2.226 1.198 -2.731 1.00 0.27 H new ATOM 0 H71 DT A 5 0.541 -1.838 1.393 1.00 0.28 H new ATOM 0 H72 DT A 5 -0.393 -0.328 1.272 1.00 0.28 H new ATOM 0 H73 DT A 5 -0.476 -1.532 -0.035 1.00 0.28 H new ATOM 0 H6 DT A 5 2.592 -0.666 1.683 1.00 0.23 H new ATOM 158 P DA A 6 6.356 3.560 3.579 1.00 0.38 P ATOM 159 OP1 DA A 6 7.627 4.129 4.077 1.00 0.48 O ATOM 160 OP2 DA A 6 5.080 3.897 4.250 1.00 0.40 O ATOM 161 O5' DA A 6 6.216 3.921 2.016 1.00 0.35 O ATOM 162 C5' DA A 6 7.268 3.600 1.098 1.00 0.35 C ATOM 163 C4' DA A 6 7.071 4.298 -0.243 1.00 0.29 C ATOM 164 O4' DA A 6 5.950 3.743 -0.963 1.00 0.30 O ATOM 165 C3' DA A 6 6.801 5.777 -0.034 1.00 0.26 C ATOM 166 O3' DA A 6 7.951 6.566 -0.375 1.00 0.27 O ATOM 167 C2' DA A 6 5.607 6.099 -0.904 1.00 0.23 C ATOM 168 C1' DA A 6 5.210 4.807 -1.588 1.00 0.24 C ATOM 169 N9 DA A 6 3.755 4.581 -1.489 1.00 0.26 N ATOM 170 C8 DA A 6 3.016 4.136 -0.428 1.00 0.32 C ATOM 171 N7 DA A 6 1.726 4.216 -0.584 1.00 0.37 N ATOM 172 C5 DA A 6 1.598 4.730 -1.873 1.00 0.31 C ATOM 173 C6 DA A 6 0.489 5.049 -2.666 1.00 0.34 C ATOM 174 N6 DA A 6 -0.773 4.934 -2.250 1.00 0.44 N ATOM 175 N1 DA A 6 0.727 5.528 -3.896 1.00 0.32 N ATOM 176 C2 DA A 6 1.976 5.688 -4.327 1.00 0.29 C ATOM 177 N3 DA A 6 3.091 5.430 -3.660 1.00 0.26 N ATOM 178 C4 DA A 6 2.826 4.947 -2.430 1.00 0.25 C ATOM 0 H5' DA A 6 7.303 2.521 0.946 1.00 0.35 H new ATOM 0 H5'' DA A 6 8.227 3.893 1.525 1.00 0.35 H new ATOM 0 H4' DA A 6 7.986 4.152 -0.818 1.00 0.29 H new ATOM 0 H3' DA A 6 6.593 6.010 1.010 1.00 0.26 H new ATOM 0 H2' DA A 6 4.784 6.489 -0.304 1.00 0.23 H new ATOM 0 H2'' DA A 6 5.857 6.865 -1.638 1.00 0.23 H new ATOM 0 H1' DA A 6 5.444 4.851 -2.652 1.00 0.24 H new ATOM 0 H8 DA A 6 3.469 3.747 0.472 1.00 0.32 H new ATOM 0 H61 DA A 6 -1.540 5.182 -2.874 1.00 0.44 H new ATOM 0 H62 DA A 6 -0.971 4.598 -1.307 1.00 0.44 H new ATOM 0 H2 DA A 6 2.093 6.070 -5.330 1.00 0.29 H new ATOM 190 P DG A 7 7.811 8.121 -0.780 1.00 0.27 P ATOM 191 OP1 DG A 7 9.165 8.659 -1.043 1.00 0.33 O ATOM 192 OP2 DG A 7 6.932 8.785 0.211 1.00 0.34 O ATOM 193 O5' DG A 7 7.019 8.030 -2.180 1.00 0.25 O ATOM 194 C5' DG A 7 7.634 7.427 -3.324 1.00 0.27 C ATOM 195 C4' DG A 7 7.216 8.124 -4.611 1.00 0.28 C ATOM 196 O4' DG A 7 5.902 7.702 -5.040 1.00 0.26 O ATOM 197 C3' DG A 7 7.185 9.629 -4.403 1.00 0.32 C ATOM 198 O3' DG A 7 8.314 10.265 -5.015 1.00 0.44 O ATOM 199 C2' DG A 7 5.887 10.093 -5.013 1.00 0.32 C ATOM 200 C1' DG A 7 5.061 8.851 -5.282 1.00 0.26 C ATOM 201 N9 DG A 7 3.883 8.817 -4.401 1.00 0.22 N ATOM 202 C8 DG A 7 3.827 8.558 -3.065 1.00 0.22 C ATOM 203 N7 DG A 7 2.635 8.595 -2.544 1.00 0.28 N ATOM 204 C5 DG A 7 1.823 8.917 -3.634 1.00 0.25 C ATOM 205 C6 DG A 7 0.415 9.108 -3.705 1.00 0.31 C ATOM 206 O6 DG A 7 -0.418 9.019 -2.807 1.00 0.41 O ATOM 207 N1 DG A 7 0.009 9.426 -4.991 1.00 0.29 N ATOM 208 C2 DG A 7 0.845 9.545 -6.077 1.00 0.26 C ATOM 209 N2 DG A 7 0.276 9.914 -7.218 1.00 0.32 N ATOM 210 N3 DG A 7 2.164 9.362 -6.021 1.00 0.25 N ATOM 211 C4 DG A 7 2.584 9.055 -4.774 1.00 0.21 C ATOM 0 H5' DG A 7 7.360 6.373 -3.373 1.00 0.27 H new ATOM 0 H5'' DG A 7 8.718 7.470 -3.221 1.00 0.27 H new ATOM 0 H4' DG A 7 7.946 7.856 -5.375 1.00 0.28 H new ATOM 0 H3' DG A 7 7.243 9.890 -3.346 1.00 0.32 H new ATOM 0 H2' DG A 7 5.362 10.768 -4.337 1.00 0.32 H new ATOM 0 H2'' DG A 7 6.069 10.644 -5.936 1.00 0.32 H new ATOM 0 H1' DG A 7 4.704 8.850 -6.312 1.00 0.26 H new ATOM 0 H8 DG A 7 4.708 8.338 -2.480 1.00 0.22 H new ATOM 0 H1 DG A 7 -0.987 9.584 -5.144 1.00 0.29 H new ATOM 0 H21 DG A 7 0.843 10.020 -8.060 1.00 0.32 H new ATOM 0 H22 DG A 7 -0.728 10.092 -7.253 1.00 0.32 H new ATOM 223 P DC A 8 8.524 11.857 -4.894 1.00 0.55 P ATOM 224 OP1 DC A 8 9.907 12.176 -5.311 1.00 0.69 O ATOM 225 OP2 DC A 8 8.032 12.296 -3.568 1.00 0.58 O ATOM 226 O5' DC A 8 7.516 12.423 -6.015 1.00 0.59 O ATOM 227 C5' DC A 8 7.719 12.120 -7.399 1.00 0.66 C ATOM 228 C4' DC A 8 6.544 12.594 -8.244 1.00 0.73 C ATOM 229 O4' DC A 8 5.333 11.900 -7.873 1.00 0.64 O ATOM 230 C3' DC A 8 6.309 14.083 -8.045 1.00 0.83 C ATOM 231 O3' DC A 8 6.757 14.842 -9.171 1.00 1.03 O ATOM 232 C2' DC A 8 4.826 14.238 -7.835 1.00 0.83 C ATOM 233 C1' DC A 8 4.252 12.844 -7.712 1.00 0.64 C ATOM 234 N1 DC A 8 3.586 12.681 -6.403 1.00 0.51 N ATOM 235 C2 DC A 8 2.236 12.380 -6.409 1.00 0.50 C ATOM 236 O2 DC A 8 1.624 12.299 -7.470 1.00 0.63 O ATOM 237 N3 DC A 8 1.615 12.172 -5.220 1.00 0.51 N ATOM 238 C4 DC A 8 2.289 12.243 -4.070 1.00 0.57 C ATOM 239 N4 DC A 8 1.633 12.069 -2.925 1.00 0.70 N ATOM 240 C5 DC A 8 3.687 12.537 -4.055 1.00 0.61 C ATOM 241 C6 DC A 8 4.291 12.767 -5.238 1.00 0.56 C ATOM 0 H5' DC A 8 7.850 11.045 -7.523 1.00 0.66 H new ATOM 0 H5'' DC A 8 8.636 12.595 -7.747 1.00 0.66 H new ATOM 0 H4' DC A 8 6.789 12.387 -9.286 1.00 0.73 H new ATOM 0 H3' DC A 8 6.874 14.461 -7.193 1.00 0.83 H new ATOM 0 H2' DC A 8 4.622 14.820 -6.936 1.00 0.83 H new ATOM 0 H2'' DC A 8 4.371 14.771 -8.670 1.00 0.83 H new ATOM 0 HO3' DC A 8 6.590 15.794 -9.011 1.00 1.03 H new ATOM 0 H1' DC A 8 3.500 12.669 -8.481 1.00 0.64 H new ATOM 0 H41 DC A 8 2.133 12.120 -2.038 1.00 0.70 H new ATOM 0 H42 DC A 8 0.630 11.885 -2.935 1.00 0.70 H new ATOM 0 H5 DC A 8 4.241 12.574 -3.128 1.00 0.61 H new ATOM 0 H6 DC A 8 5.340 13.021 -5.264 1.00 0.56 H new TER 254 DC A 8 HETATM 255 C8' GPN B 9 -5.347 15.604 -5.809 1.00 0.58 C HETATM 256 C7' GPN B 9 -6.642 15.131 -6.473 1.00 0.55 C HETATM 257 O7' GPN B 9 -7.063 14.015 -6.240 1.00 0.55 O HETATM 258 C5' GPN B 9 -8.522 15.425 -8.011 1.00 0.57 C HETATM 259 C' GPN B 9 -8.400 14.142 -8.844 1.00 0.51 C HETATM 260 O1' GPN B 9 -8.235 14.193 -10.049 1.00 0.51 O HETATM 261 N4' GPN B 9 -7.290 15.920 -7.311 1.00 0.56 N HETATM 262 C3' GPN B 9 -6.806 17.313 -7.571 1.00 0.63 C HETATM 263 C2' GPN B 9 -7.293 18.240 -6.462 1.00 0.76 C HETATM 264 N1' GPN B 9 -8.491 18.627 -6.809 1.00 0.83 N HETATM 265 N9 GPN B 9 -4.581 14.640 -4.992 1.00 0.54 N HETATM 266 C8 GPN B 9 -4.800 14.226 -3.710 1.00 0.65 C HETATM 267 N7 GPN B 9 -3.879 13.456 -3.212 1.00 0.66 N HETATM 268 C5 GPN B 9 -2.963 13.337 -4.257 1.00 0.50 C HETATM 269 C6 GPN B 9 -1.737 12.621 -4.321 1.00 0.50 C HETATM 270 O6 GPN B 9 -1.187 11.960 -3.443 1.00 0.65 O HETATM 271 N1 GPN B 9 -1.127 12.770 -5.554 1.00 0.44 N HETATM 272 C2 GPN B 9 -1.630 13.501 -6.606 1.00 0.47 C HETATM 273 N2 GPN B 9 -0.914 13.493 -7.725 1.00 0.63 N HETATM 274 N3 GPN B 9 -2.778 14.176 -6.556 1.00 0.48 N HETATM 275 C4 GPN B 9 -3.390 14.053 -5.355 1.00 0.45 C HETATM 0 HN22 GPN B 9 -1.235 14.016 -8.540 1.00 0.63 H new HETATM 0 HN21 GPN B 9 -0.043 12.964 -7.769 1.00 0.63 H new HETATM 0 H8'2 GPN B 9 -4.687 15.971 -6.595 1.00 0.58 H new HETATM 0 H8'1 GPN B 9 -5.592 16.456 -5.174 1.00 0.58 H new HETATM 0 H5'2 GPN B 9 -8.877 16.219 -8.668 1.00 0.57 H new HETATM 0 H5'1 GPN B 9 -9.294 15.265 -7.259 1.00 0.57 H new HETATM 0 H3'2 GPN B 9 -5.717 17.327 -7.619 1.00 0.63 H new HETATM 0 H3'1 GPN B 9 -7.172 17.661 -8.537 1.00 0.63 H new HETATM 0 H2'2 GPN B 9 -7.314 17.722 -5.503 1.00 0.76 H new HETATM 0 H2'1 GPN B 9 -6.626 19.094 -6.348 1.00 0.76 H new HETATM 0 H1'3 GPN B 9 -8.866 19.253 -6.097 1.00 0.83 H new HETATM 0 H1'2 GPN B 9 -8.445 19.117 -7.702 1.00 0.83 H new HETATM 0 H1'1 GPN B 9 -9.099 17.813 -6.899 1.00 0.83 H new HETATM 0 HN1 GPN B 9 -0.233 12.300 -5.695 1.00 0.44 H new HETATM 0 H8 GPN B 9 -5.684 14.520 -3.144 1.00 0.65 H new HETATM 290 C8' CPN B 10 -5.089 10.915 -8.050 1.00 0.31 C HETATM 291 C7' CPN B 10 -5.604 9.978 -9.143 1.00 0.32 C HETATM 292 O7' CPN B 10 -5.157 8.855 -9.226 1.00 0.35 O HETATM 293 C5' CPN B 10 -6.968 9.463 -11.107 1.00 0.39 C HETATM 294 C' CPN B 10 -5.906 8.751 -11.963 1.00 0.39 C HETATM 295 O1' CPN B 10 -6.220 7.812 -12.669 1.00 0.47 O HETATM 296 N4' CPN B 10 -6.517 10.379 -10.005 1.00 0.35 N HETATM 297 C3' CPN B 10 -7.116 11.746 -9.896 1.00 0.39 C HETATM 298 C2' CPN B 10 -8.325 11.690 -8.949 1.00 0.46 C HETATM 299 N1' CPN B 10 -8.478 12.991 -8.219 1.00 0.49 N HETATM 300 N1 CPN B 10 -4.618 10.313 -6.786 1.00 0.30 N HETATM 301 C2 CPN B 10 -3.237 10.347 -6.498 1.00 0.29 C HETATM 302 N3 CPN B 10 -2.824 9.932 -5.259 1.00 0.38 N HETATM 303 C4 CPN B 10 -3.713 9.521 -4.349 1.00 0.41 C HETATM 304 C5 CPN B 10 -5.117 9.498 -4.644 1.00 0.37 C HETATM 305 C6 CPN B 10 -5.514 9.871 -5.872 1.00 0.34 C HETATM 306 O2 CPN B 10 -2.416 10.739 -7.345 1.00 0.31 O HETATM 307 N4 CPN B 10 -3.276 9.058 -3.178 1.00 0.51 N HETATM 0 HN42 CPN B 10 -3.943 8.741 -2.474 1.00 0.51 H new HETATM 0 HN41 CPN B 10 -2.275 9.021 -2.986 1.00 0.51 H new HETATM 0 H8'2 CPN B 10 -4.268 11.497 -8.469 1.00 0.31 H new HETATM 0 H8'1 CPN B 10 -5.887 11.617 -7.809 1.00 0.31 H new HETATM 0 H5'2 CPN B 10 -7.599 10.043 -11.780 1.00 0.39 H new HETATM 0 H5'1 CPN B 10 -7.600 8.695 -10.660 1.00 0.39 H new HETATM 0 H3'2 CPN B 10 -6.376 12.452 -9.520 1.00 0.39 H new HETATM 0 H3'1 CPN B 10 -7.424 12.101 -10.879 1.00 0.39 H new HETATM 0 H2'2 CPN B 10 -9.230 11.476 -9.517 1.00 0.46 H new HETATM 0 H2'1 CPN B 10 -8.198 10.877 -8.234 1.00 0.46 H new HETATM 0 H1'1 CPN B 10 -8.001 12.935 -7.319 1.00 0.49 H new HETATM 0 H6 CPN B 10 -6.570 9.817 -6.136 1.00 0.34 H new HETATM 0 H5 CPN B 10 -5.842 9.186 -3.892 1.00 0.37 H new HETATM 321 C8' TPN B 11 -1.382 7.842 -9.294 1.00 0.29 C HETATM 322 C7' TPN B 11 -1.430 6.805 -10.425 1.00 0.35 C HETATM 323 O7' TPN B 11 -1.113 5.667 -10.170 1.00 0.49 O HETATM 324 C5' TPN B 11 -1.775 6.066 -12.750 1.00 0.38 C HETATM 325 C' TPN B 11 -0.534 5.161 -12.895 1.00 0.38 C HETATM 326 O1' TPN B 11 0.275 5.357 -13.781 1.00 0.43 O HETATM 327 N4' TPN B 11 -1.797 7.119 -11.664 1.00 0.32 N HETATM 328 C3' TPN B 11 -2.240 8.513 -12.010 1.00 0.31 C HETATM 329 C2' TPN B 11 -3.601 8.463 -12.730 1.00 0.39 C HETATM 330 N1' TPN B 11 -4.660 9.152 -11.912 1.00 0.35 N HETATM 331 N1 TPN B 11 -1.711 7.356 -7.943 1.00 0.29 N HETATM 332 C6 TPN B 11 -3.012 7.194 -7.580 1.00 0.32 C HETATM 333 C2 TPN B 11 -0.674 6.991 -7.105 1.00 0.30 C HETATM 334 O2 TPN B 11 0.507 7.111 -7.423 1.00 0.31 O HETATM 335 N3 TPN B 11 -1.042 6.449 -5.893 1.00 0.36 N HETATM 336 C4 TPN B 11 -2.332 6.246 -5.446 1.00 0.41 C HETATM 337 O4 TPN B 11 -2.535 5.775 -4.330 1.00 0.50 O HETATM 338 C5 TPN B 11 -3.350 6.656 -6.389 1.00 0.37 C HETATM 339 C5M TPN B 11 -4.821 6.409 -6.064 1.00 0.43 C HETATM 0 HM53 TPN B 11 -5.364 7.354 -6.094 1.00 0.43 H new HETATM 0 HM52 TPN B 11 -5.245 5.723 -6.797 1.00 0.43 H new HETATM 0 HM51 TPN B 11 -4.905 5.974 -5.068 1.00 0.43 H new HETATM 0 H8'2 TPN B 11 -0.381 8.272 -9.268 1.00 0.29 H new HETATM 0 H8'1 TPN B 11 -2.070 8.650 -9.543 1.00 0.29 H new HETATM 0 H5'2 TPN B 11 -1.924 6.574 -13.703 1.00 0.38 H new HETATM 0 H5'1 TPN B 11 -2.638 5.418 -12.596 1.00 0.38 H new HETATM 0 H3'2 TPN B 11 -2.319 9.115 -11.105 1.00 0.31 H new HETATM 0 H3'1 TPN B 11 -1.498 8.993 -12.648 1.00 0.31 H new HETATM 0 H2'2 TPN B 11 -3.520 8.941 -13.706 1.00 0.39 H new HETATM 0 H2'1 TPN B 11 -3.887 7.426 -12.906 1.00 0.39 H new HETATM 0 H1'2 TPN B 11 -5.552 9.109 -12.404 1.00 0.35 H new HETATM 0 HN3 TPN B 11 -0.288 6.171 -5.265 1.00 0.36 H new HETATM 0 H6 TPN B 11 -3.799 7.506 -8.266 1.00 0.32 H new HETATM 354 C8' APN B 12 1.745 4.781 -8.605 1.00 0.37 C HETATM 355 C7' APN B 12 2.893 4.161 -9.410 1.00 0.32 C HETATM 356 O7' APN B 12 4.040 4.483 -9.161 1.00 0.36 O HETATM 357 C5' APN B 12 3.769 2.772 -11.229 1.00 0.33 C HETATM 358 C' APN B 12 4.734 1.745 -10.631 1.00 0.29 C HETATM 359 O1' APN B 12 4.709 0.589 -11.005 1.00 0.36 O HETATM 360 N4' APN B 12 2.645 3.309 -10.391 1.00 0.31 N HETATM 361 C3' APN B 12 1.242 2.874 -10.676 1.00 0.35 C HETATM 362 C2' APN B 12 0.834 3.290 -12.104 1.00 0.38 C HETATM 363 N1' APN B 12 -0.373 4.178 -12.044 1.00 0.36 N HETATM 364 N9 APN B 12 0.902 3.939 -7.724 1.00 0.36 N HETATM 365 C8 APN B 12 -0.441 3.694 -7.799 1.00 0.41 C HETATM 366 N7 APN B 12 -0.942 3.048 -6.794 1.00 0.44 N HETATM 367 C5 APN B 12 0.159 2.843 -5.973 1.00 0.38 C HETATM 368 C6 APN B 12 0.303 2.212 -4.737 1.00 0.39 C HETATM 369 N6 APN B 12 -0.711 1.642 -4.090 1.00 0.48 N HETATM 370 N1 APN B 12 1.530 2.183 -4.196 1.00 0.34 N HETATM 371 C2 APN B 12 2.557 2.742 -4.835 1.00 0.31 C HETATM 372 N3 APN B 12 2.534 3.359 -6.013 1.00 0.32 N HETATM 373 C4 APN B 12 1.289 3.375 -6.529 1.00 0.33 C HETATM 0 HN62 APN B 12 -0.553 1.193 -3.188 1.00 0.48 H new HETATM 0 HN61 APN B 12 -1.646 1.654 -4.496 1.00 0.48 H new HETATM 0 H8'2 APN B 12 2.176 5.566 -7.983 1.00 0.37 H new HETATM 0 H8'1 APN B 12 1.079 5.268 -9.317 1.00 0.37 H new HETATM 0 H5'2 APN B 12 4.363 3.623 -11.561 1.00 0.33 H new HETATM 0 H5'1 APN B 12 3.327 2.325 -12.119 1.00 0.33 H new HETATM 0 H3'2 APN B 12 1.160 1.793 -10.567 1.00 0.35 H new HETATM 0 H3'1 APN B 12 0.561 3.320 -9.951 1.00 0.35 H new HETATM 0 H2'2 APN B 12 1.658 3.812 -12.591 1.00 0.38 H new HETATM 0 H2'1 APN B 12 0.618 2.406 -12.703 1.00 0.38 H new HETATM 0 H1'3 APN B 12 -0.641 4.452 -12.989 1.00 0.36 H new HETATM 0 H8 APN B 12 -1.047 4.019 -8.644 1.00 0.41 H new HETATM 0 H2 APN B 12 3.525 2.687 -4.336 1.00 0.31 H new HETATM 387 C8' TPN B 13 5.447 1.086 -5.922 1.00 0.27 C HETATM 388 C7' TPN B 13 6.834 0.420 -6.023 1.00 0.31 C HETATM 389 O7' TPN B 13 7.161 -0.418 -5.206 1.00 0.36 O HETATM 390 C5' TPN B 13 9.019 0.090 -7.108 1.00 0.39 C HETATM 391 C' TPN B 13 9.127 -1.441 -7.060 1.00 0.37 C HETATM 392 O1' TPN B 13 10.229 -1.949 -7.131 1.00 0.43 O HETATM 393 N4' TPN B 13 7.678 0.757 -6.990 1.00 0.32 N HETATM 394 C3' TPN B 13 7.321 1.816 -7.980 1.00 0.31 C HETATM 395 C2' TPN B 13 6.610 1.180 -9.178 1.00 0.27 C HETATM 396 N1' TPN B 13 5.619 2.144 -9.755 1.00 0.26 N HETATM 397 N1 TPN B 13 4.254 0.256 -5.635 1.00 0.23 N HETATM 398 C6 TPN B 13 3.198 0.252 -6.501 1.00 0.23 C HETATM 399 C2 TPN B 13 4.239 -0.507 -4.478 1.00 0.27 C HETATM 400 O2 TPN B 13 5.110 -0.422 -3.620 1.00 0.35 O HETATM 401 N3 TPN B 13 3.109 -1.273 -4.280 1.00 0.27 N HETATM 402 C4 TPN B 13 2.008 -1.338 -5.109 1.00 0.26 C HETATM 403 O4 TPN B 13 1.057 -2.058 -4.825 1.00 0.32 O HETATM 404 C5 TPN B 13 2.108 -0.500 -6.281 1.00 0.25 C HETATM 405 C5M TPN B 13 0.963 -0.460 -7.287 1.00 0.32 C HETATM 0 HM53 TPN B 13 0.580 0.558 -7.362 1.00 0.32 H new HETATM 0 HM52 TPN B 13 1.324 -0.785 -8.263 1.00 0.32 H new HETATM 0 HM51 TPN B 13 0.165 -1.125 -6.956 1.00 0.32 H new HETATM 0 H8'2 TPN B 13 5.508 1.849 -5.146 1.00 0.27 H new HETATM 0 H8'1 TPN B 13 5.265 1.604 -6.864 1.00 0.27 H new HETATM 0 H5'2 TPN B 13 9.647 0.484 -6.309 1.00 0.39 H new HETATM 0 H5'1 TPN B 13 9.460 0.416 -8.050 1.00 0.39 H new HETATM 0 H3'2 TPN B 13 6.675 2.561 -7.514 1.00 0.31 H new HETATM 0 H3'1 TPN B 13 8.220 2.336 -8.312 1.00 0.31 H new HETATM 0 H2'2 TPN B 13 7.340 0.898 -9.937 1.00 0.27 H new HETATM 0 H2'1 TPN B 13 6.103 0.266 -8.868 1.00 0.27 H new HETATM 0 H1'2 TPN B 13 5.150 1.714 -10.552 1.00 0.26 H new HETATM 0 HN3 TPN B 13 3.085 -1.848 -3.438 1.00 0.27 H new HETATM 0 H6 TPN B 13 3.241 0.876 -7.394 1.00 0.23 H new HETATM 420 C8' GPN B 14 5.848 -4.631 -4.365 1.00 0.30 C HETATM 421 C7' GPN B 14 6.838 -5.754 -4.707 1.00 0.31 C HETATM 422 O7' GPN B 14 6.516 -6.915 -4.545 1.00 0.34 O HETATM 423 C5' GPN B 14 9.059 -6.544 -5.396 1.00 0.37 C HETATM 424 C' GPN B 14 9.048 -7.762 -4.459 1.00 0.31 C HETATM 425 O1' GPN B 14 9.549 -7.715 -3.351 1.00 0.32 O HETATM 426 N4' GPN B 14 8.055 -5.459 -5.142 1.00 0.32 N HETATM 427 C3' GPN B 14 8.446 -4.039 -5.387 1.00 0.33 C HETATM 428 C2' GPN B 14 8.197 -3.679 -6.859 1.00 0.33 C HETATM 429 N1' GPN B 14 8.063 -2.196 -6.947 1.00 0.32 N HETATM 430 N9 GPN B 14 4.403 -4.877 -4.478 1.00 0.30 N HETATM 431 C8 GPN B 14 3.551 -4.460 -5.448 1.00 0.31 C HETATM 432 N7 GPN B 14 2.315 -4.829 -5.294 1.00 0.30 N HETATM 433 C5 GPN B 14 2.342 -5.528 -4.087 1.00 0.25 C HETATM 434 C6 GPN B 14 1.287 -6.158 -3.376 1.00 0.24 C HETATM 435 O6 GPN B 14 0.101 -6.240 -3.681 1.00 0.27 O HETATM 436 N1 GPN B 14 1.739 -6.738 -2.202 1.00 0.23 N HETATM 437 C2 GPN B 14 3.044 -6.725 -1.763 1.00 0.25 C HETATM 438 N2 GPN B 14 3.279 -7.310 -0.594 1.00 0.27 N HETATM 439 N3 GPN B 14 4.043 -6.142 -2.429 1.00 0.27 N HETATM 440 C4 GPN B 14 3.620 -5.561 -3.577 1.00 0.25 C HETATM 0 HN22 GPN B 14 4.226 -7.332 -0.216 1.00 0.27 H new HETATM 0 HN21 GPN B 14 2.512 -7.737 -0.074 1.00 0.27 H new HETATM 0 H8'2 GPN B 14 6.047 -4.322 -3.339 1.00 0.30 H new HETATM 0 H8'1 GPN B 14 6.085 -3.781 -5.005 1.00 0.30 H new HETATM 0 H5'2 GPN B 14 10.053 -6.098 -5.354 1.00 0.37 H new HETATM 0 H5'1 GPN B 14 8.914 -6.903 -6.415 1.00 0.37 H new HETATM 0 H3'2 GPN B 14 7.872 -3.377 -4.739 1.00 0.33 H new HETATM 0 H3'1 GPN B 14 9.498 -3.894 -5.140 1.00 0.33 H new HETATM 0 H2'2 GPN B 14 9.021 -4.026 -7.482 1.00 0.33 H new HETATM 0 H2'1 GPN B 14 7.293 -4.167 -7.224 1.00 0.33 H new HETATM 0 H1'3 GPN B 14 7.896 -1.926 -7.916 1.00 0.32 H new HETATM 0 HN1 GPN B 14 1.051 -7.212 -1.617 1.00 0.23 H new HETATM 0 H8 GPN B 14 3.880 -3.859 -6.296 1.00 0.31 H new HETATM 454 C8' TPN B 15 4.573 -9.262 -3.293 1.00 0.25 C HETATM 455 C7' TPN B 15 5.091 -10.687 -3.101 1.00 0.24 C HETATM 456 O7' TPN B 15 4.302 -11.609 -3.101 1.00 0.27 O HETATM 457 C5' TPN B 15 6.836 -12.304 -2.528 1.00 0.26 C HETATM 458 C' TPN B 15 5.974 -13.118 -1.543 1.00 0.28 C HETATM 459 O1' TPN B 15 6.134 -14.312 -1.387 1.00 0.33 O HETATM 460 N4' TPN B 15 6.368 -10.912 -2.855 1.00 0.24 N HETATM 461 C3' TPN B 15 7.352 -9.789 -2.898 1.00 0.26 C HETATM 462 C2' TPN B 15 8.380 -10.060 -4.008 1.00 0.30 C HETATM 463 N1' TPN B 15 8.467 -8.852 -4.883 1.00 0.31 N HETATM 464 N1 TPN B 15 3.259 -9.085 -3.923 1.00 0.24 N HETATM 465 C6 TPN B 15 3.184 -8.592 -5.184 1.00 0.26 C HETATM 466 C2 TPN B 15 2.133 -9.516 -3.234 1.00 0.25 C HETATM 467 O2 TPN B 15 2.173 -9.887 -2.062 1.00 0.29 O HETATM 468 N3 TPN B 15 0.943 -9.441 -3.925 1.00 0.27 N HETATM 469 C4 TPN B 15 0.781 -8.968 -5.214 1.00 0.28 C HETATM 470 O4 TPN B 15 -0.323 -8.989 -5.748 1.00 0.33 O HETATM 471 C5 TPN B 15 2.009 -8.518 -5.838 1.00 0.26 C HETATM 472 C5M TPN B 15 1.972 -7.948 -7.254 1.00 0.32 C HETATM 0 HM53 TPN B 15 2.338 -6.921 -7.243 1.00 0.32 H new HETATM 0 HM52 TPN B 15 2.604 -8.551 -7.906 1.00 0.32 H new HETATM 0 HM51 TPN B 15 0.948 -7.964 -7.626 1.00 0.32 H new HETATM 0 H8'2 TPN B 15 4.541 -8.784 -2.314 1.00 0.25 H new HETATM 0 H8'1 TPN B 15 5.305 -8.718 -3.890 1.00 0.25 H new HETATM 0 H5'2 TPN B 15 7.844 -12.235 -2.119 1.00 0.26 H new HETATM 0 H5'1 TPN B 15 6.907 -12.865 -3.460 1.00 0.26 H new HETATM 0 H3'2 TPN B 15 6.838 -8.846 -3.084 1.00 0.26 H new HETATM 0 H3'1 TPN B 15 7.855 -9.693 -1.936 1.00 0.26 H new HETATM 0 H2'2 TPN B 15 9.355 -10.284 -3.574 1.00 0.30 H new HETATM 0 H2'1 TPN B 15 8.084 -10.931 -4.593 1.00 0.30 H new HETATM 0 H1'3 TPN B 15 9.147 -9.018 -5.625 1.00 0.31 H new HETATM 0 HN3 TPN B 15 0.105 -9.764 -3.441 1.00 0.27 H new HETATM 0 H6 TPN B 15 4.093 -8.249 -5.678 1.00 0.26 H new HETATM 487 C8' CPN B 16 1.656 -13.873 -1.965 1.00 0.29 C HETATM 488 C7' CPN B 16 1.135 -13.917 -0.517 1.00 0.27 C HETATM 489 O7' CPN B 16 0.196 -14.640 -0.238 1.00 0.31 O HETATM 490 C5' CPN B 16 1.103 -13.187 1.811 1.00 0.38 C HETATM 491 C' CPN B 16 0.122 -12.072 2.186 1.00 0.44 C HETATM 492 O1' CPN B 16 -1.046 -12.150 1.869 1.00 0.59 O HETATM 493 N4' CPN B 16 1.677 -13.166 0.431 1.00 0.29 N HETATM 494 C3' CPN B 16 2.860 -12.290 0.158 1.00 0.31 C HETATM 495 C2' CPN B 16 4.127 -13.138 0.071 1.00 0.29 C HETATM 496 N1' CPN B 16 5.056 -12.458 -0.880 1.00 0.27 N HETATM 497 N1 CPN B 16 0.860 -13.194 -3.029 1.00 0.22 N HETATM 498 C2 CPN B 16 -0.545 -13.389 -3.069 1.00 0.28 C HETATM 499 N3 CPN B 16 -1.224 -12.990 -4.187 1.00 0.36 N HETATM 500 C4 CPN B 16 -0.584 -12.430 -5.215 1.00 0.28 C HETATM 501 C5 CPN B 16 0.829 -12.218 -5.179 1.00 0.27 C HETATM 502 C6 CPN B 16 1.502 -12.592 -4.074 1.00 0.30 C HETATM 503 O2 CPN B 16 -1.159 -13.892 -2.118 1.00 0.36 O HETATM 504 N4 CPN B 16 -1.284 -12.028 -6.271 1.00 0.38 N HETATM 0 HN42 CPN B 16 -0.809 -11.598 -7.064 1.00 0.38 H new HETATM 0 HN41 CPN B 16 -2.297 -12.149 -6.288 1.00 0.38 H new HETATM 0 H8'2 CPN B 16 2.636 -13.397 -1.941 1.00 0.29 H new HETATM 0 H8'1 CPN B 16 1.810 -14.904 -2.285 1.00 0.29 H new HETATM 0 H5'2 CPN B 16 1.931 -13.159 2.520 1.00 0.38 H new HETATM 0 H5'1 CPN B 16 0.596 -14.142 1.950 1.00 0.38 H new HETATM 0 H3'2 CPN B 16 2.712 -11.745 -0.774 1.00 0.31 H new HETATM 0 H3'1 CPN B 16 2.963 -11.547 0.949 1.00 0.31 H new HETATM 0 H2'2 CPN B 16 4.589 -13.239 1.053 1.00 0.29 H new HETATM 0 H2'1 CPN B 16 3.892 -14.144 -0.276 1.00 0.29 H new HETATM 0 H1'2 CPN B 16 5.916 -13.000 -0.962 1.00 0.27 H new HETATM 0 H6 CPN B 16 2.575 -12.412 -4.012 1.00 0.30 H new HETATM 0 H5 CPN B 16 1.348 -11.765 -6.024 1.00 0.27 H new HETATM 518 N NH2 B 17 -0.936 -11.953 2.939 1.00 0.53 N TER 521 NH2 B 17